USER MOD reduce.3.24.130724 H: found=0, std=0, add=1522, rem=0, adj=67 USER MOD reduce.3.24.130724 removed 1514 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 SER OG : rot -120:sc= -0.326 USER MOD Set 1.2: B 74 SER OG : rot -110:sc= -0.409 USER MOD Set 2.1: B 66 MET CE :methyl -117:sc= -3.33 (180deg=-7.75!) USER MOD Set 2.2: B 67 THR OG1 : rot 180:sc= -0.0132 USER MOD Set 3.1: B 62 THR OG1 : rot -59:sc= -0.191 USER MOD Set 3.2: B 76 GLN : amide:sc= -0.948 K(o=-1.1,f=-0.25!) USER MOD Set 4.1: B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: B 61 TYR OH : rot 15:sc= -0.823 USER MOD Set 5.1: B 21 GLN : amide:sc= 0 X(o=-0.0016,f=-0.24) USER MOD Set 5.2: B 22 GLN : amide:sc=-0.00157 X(o=-0.0016,f=-0.03) USER MOD Set 6.1: A 89 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 90 THR OG1 : rot 180:sc= -0.387 USER MOD Set 7.1: A 66 MET CE :methyl -116:sc= -3.83 (180deg=-9.42!) USER MOD Set 7.2: A 67 THR OG1 : rot 180:sc= -0.0588 USER MOD Set 8.1: A 60 LYS NZ :NH3+ 164:sc= 0.248 (180deg=0) USER MOD Set 8.2: A 61 TYR OH : rot 15:sc= -0.275 USER MOD Set 9.1: A 55 THR OG1 : rot -84:sc= 1.26 USER MOD Set 9.2: A 57 GLN : amide:sc= -4.81! C(o=-3.6!,f=-3.5!) USER MOD Set10.1: A 51 ASN : amide:sc= -0.0988 K(o=-2,f=-1.4) USER MOD Set10.2: A 54 GLN : amide:sc= -1.87 K(o=-2,f=-1.4) USER MOD Set11.1: A 8 LYS NZ :NH3+ -170:sc= 0 (180deg=0) USER MOD Set11.2: B 50 MET CE :methyl -165:sc= -0.677 (180deg=-1.45) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0.401 K(o=0.4,f=-3.5!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0773 USER MOD Single : A 6 SER OG : rot 109:sc= 0.483 USER MOD Single : A 12 MET CE :methyl -153:sc= -1.12 (180deg=-3.41!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 27 THR OG1 : rot -130:sc= -0.396 USER MOD Single : A 31 TYR OH : rot 30:sc= -0.0122 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -91:sc= 0.0722 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -24:sc= 0.237 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 82:sc= 0.056 USER MOD Single : A 46 THR OG1 : rot -160:sc= 0 USER MOD Single : A 49 MET CE :methyl 143:sc= -3.58 (180deg=-7.28!) USER MOD Single : A 50 MET CE :methyl -166:sc= -0.447 (180deg=-0.956) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -60:sc= 0.343 USER MOD Single : A 68 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.82) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.861 K(o=-0.86,f=-4.5!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.0649 K(o=-0.065,f=-1.9!) USER MOD Single : A 87 ASN : amide:sc= -0.883 K(o=-0.88,f=-0.022) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0968 USER MOD Single : A 93 HIS : no HD1:sc=-0.000723 X(o=-0.00072,f=-0.22) USER MOD Single : A 94 SER OG : rot 180:sc= -0.206 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0751) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 ASN : amide:sc= -0.546 X(o=-0.55,f=-0.7) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0.055 USER MOD Single : B 6 SER OG : rot 100:sc= 1.18 USER MOD Single : B 8 LYS NZ :NH3+ 159:sc= 0.0934 (180deg=0.00802) USER MOD Single : B 12 MET CE :methyl 148:sc= -5.39! (180deg=-5.86!) USER MOD Single : B 14 LYS NZ :NH3+ 158:sc= -0.146 (180deg=-0.684) USER MOD Single : B 15 SER OG : rot -130:sc= -0.447 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -66:sc=0.000239 USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 SER OG : rot -90:sc= 0.0563 USER MOD Single : B 36 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 114:sc= 1.18 USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 43 THR OG1 : rot 180:sc= 0.138 USER MOD Single : B 46 THR OG1 : rot 62:sc= 0.0724 USER MOD Single : B 49 MET CE :methyl 156:sc= -2.25 (180deg=-4.51!) USER MOD Single : B 51 ASN : amide:sc= -0.0344 X(o=-0.034,f=0) USER MOD Single : B 54 GLN : amide:sc= -1.84 K(o=-1.8,f=-1.3) USER MOD Single : B 55 THR OG1 : rot -87:sc= 1.14 USER MOD Single : B 57 GLN : amide:sc= -4.15! C(o=-4.1!,f=-4.5!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc=-0.00714 X(o=-0.0071,f=0) USER MOD Single : B 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 86 GLN : amide:sc= -0.0613 X(o=-0.061,f=0) USER MOD Single : B 87 ASN : amide:sc= -0.659 K(o=-0.66,f=-3) USER MOD Single : B 89 THR OG1 : rot -60:sc= 0.54 USER MOD Single : B 90 THR OG1 : rot 180:sc= 0 USER MOD Single : B 91 SER OG : rot 180:sc= 0 USER MOD Single : B 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 94 SER OG : rot 38:sc= 0.594 USER MOD Single : B 96 GLN : amide:sc= -0.0279 X(o=-0.028,f=0) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.319 -1.097 -0.435 1.00 52.20 N ATOM 2 CA MET A 1 4.132 -0.727 -1.833 1.00 50.55 C ATOM 3 C MET A 1 3.894 0.773 -1.972 1.00 74.40 C ATOM 4 O MET A 1 2.751 1.228 -2.017 1.00 64.45 O ATOM 5 CB MET A 1 2.957 -1.500 -2.434 1.00 3.44 C ATOM 6 CG MET A 1 3.365 -2.796 -3.114 1.00 12.32 C ATOM 7 SD MET A 1 2.231 -3.277 -4.431 1.00 41.14 S ATOM 8 CE MET A 1 3.265 -3.040 -5.873 1.00 21.33 C ATOM 0 H1 MET A 1 4.479 -2.122 -0.366 1.00 52.20 H new ATOM 0 H2 MET A 1 5.142 -0.591 -0.049 1.00 52.20 H new ATOM 0 H3 MET A 1 3.470 -0.842 0.108 1.00 52.20 H new ATOM 0 HA MET A 1 5.042 -0.983 -2.376 1.00 50.55 H new ATOM 0 HB2 MET A 1 2.239 -1.724 -1.645 1.00 3.44 H new ATOM 0 HB3 MET A 1 2.447 -0.864 -3.158 1.00 3.44 H new ATOM 0 HG2 MET A 1 4.368 -2.685 -3.526 1.00 12.32 H new ATOM 0 HG3 MET A 1 3.412 -3.592 -2.371 1.00 12.32 H new ATOM 0 HE1 MET A 1 2.702 -3.297 -6.770 1.00 21.33 H new ATOM 0 HE2 MET A 1 3.579 -1.998 -5.928 1.00 21.33 H new ATOM 0 HE3 MET A 1 4.144 -3.681 -5.800 1.00 21.33 H new ATOM 18 N SER A 2 4.979 1.537 -2.040 1.00 63.31 N ATOM 19 CA SER A 2 4.888 2.986 -2.170 1.00 1.32 C ATOM 20 C SER A 2 4.417 3.377 -3.567 1.00 12.31 C ATOM 21 O SER A 2 4.260 2.527 -4.443 1.00 62.31 O ATOM 22 CB SER A 2 6.244 3.632 -1.877 1.00 41.23 C ATOM 23 OG SER A 2 7.268 3.045 -2.660 1.00 50.11 O ATOM 0 H SER A 2 5.932 1.176 -2.007 1.00 63.31 H new ATOM 0 HA SER A 2 4.158 3.346 -1.445 1.00 1.32 H new ATOM 0 HB2 SER A 2 6.193 4.701 -2.082 1.00 41.23 H new ATOM 0 HB3 SER A 2 6.482 3.521 -0.819 1.00 41.23 H new ATOM 0 HG SER A 2 8.124 3.476 -2.456 1.00 50.11 H new ATOM 29 N ASN A 3 4.192 4.673 -3.768 1.00 52.21 N ATOM 30 CA ASN A 3 3.738 5.178 -5.058 1.00 14.51 C ATOM 31 C ASN A 3 4.737 6.179 -5.632 1.00 2.30 C ATOM 32 O ASN A 3 5.200 7.082 -4.934 1.00 44.20 O ATOM 33 CB ASN A 3 2.364 5.836 -4.917 1.00 31.41 C ATOM 34 CG ASN A 3 1.269 4.829 -4.624 1.00 63.51 C ATOM 35 OD1 ASN A 3 1.437 3.936 -3.793 1.00 34.44 O ATOM 36 ND2 ASN A 3 0.139 4.968 -5.307 1.00 13.33 N ATOM 0 H ASN A 3 4.317 5.391 -3.054 1.00 52.21 H new ATOM 0 HA ASN A 3 3.661 4.334 -5.744 1.00 14.51 H new ATOM 0 HB2 ASN A 3 2.398 6.575 -4.116 1.00 31.41 H new ATOM 0 HB3 ASN A 3 2.125 6.372 -5.835 1.00 31.41 H new ATOM 0 HD21 ASN A 3 -0.633 4.320 -5.152 1.00 13.33 H new ATOM 0 HD22 ASN A 3 0.043 5.723 -5.986 1.00 13.33 H new ATOM 43 N THR A 4 5.065 6.014 -6.910 1.00 55.11 N ATOM 44 CA THR A 4 6.008 6.902 -7.578 1.00 61.02 C ATOM 45 C THR A 4 5.536 8.350 -7.521 1.00 34.12 C ATOM 46 O THR A 4 4.354 8.618 -7.300 1.00 24.32 O ATOM 47 CB THR A 4 6.213 6.497 -9.051 1.00 65.03 C ATOM 48 OG1 THR A 4 5.874 5.119 -9.232 1.00 41.45 O ATOM 49 CG2 THR A 4 7.652 6.733 -9.481 1.00 24.23 C ATOM 0 H THR A 4 4.691 5.273 -7.503 1.00 55.11 H new ATOM 0 HA THR A 4 6.956 6.812 -7.048 1.00 61.02 H new ATOM 0 HB THR A 4 5.561 7.114 -9.669 1.00 65.03 H new ATOM 0 HG1 THR A 4 6.005 4.870 -10.171 1.00 41.45 H new ATOM 0 HG21 THR A 4 7.773 6.440 -10.524 1.00 24.23 H new ATOM 0 HG22 THR A 4 7.896 7.790 -9.370 1.00 24.23 H new ATOM 0 HG23 THR A 4 8.320 6.139 -8.858 1.00 24.23 H new ATOM 57 N ILE A 5 6.464 9.278 -7.721 1.00 21.33 N ATOM 58 CA ILE A 5 6.141 10.699 -7.693 1.00 1.35 C ATOM 59 C ILE A 5 4.963 11.013 -8.609 1.00 62.20 C ATOM 60 O ILE A 5 4.025 11.707 -8.217 1.00 53.40 O ATOM 61 CB ILE A 5 7.347 11.560 -8.114 1.00 73.54 C ATOM 62 CG1 ILE A 5 8.572 11.206 -7.268 1.00 25.20 C ATOM 63 CG2 ILE A 5 7.014 13.038 -7.983 1.00 34.15 C ATOM 64 CD1 ILE A 5 9.783 10.822 -8.091 1.00 64.05 C ATOM 0 H ILE A 5 7.446 9.072 -7.904 1.00 21.33 H new ATOM 0 HA ILE A 5 5.874 10.941 -6.664 1.00 1.35 H new ATOM 0 HB ILE A 5 7.578 11.352 -9.159 1.00 73.54 H new ATOM 0 HG12 ILE A 5 8.826 12.058 -6.637 1.00 25.20 H new ATOM 0 HG13 ILE A 5 8.318 10.381 -6.603 1.00 25.20 H new ATOM 0 HG21 ILE A 5 7.876 13.633 -8.284 1.00 34.15 H new ATOM 0 HG22 ILE A 5 6.166 13.278 -8.624 1.00 34.15 H new ATOM 0 HG23 ILE A 5 6.761 13.264 -6.947 1.00 34.15 H new ATOM 0 HD11 ILE A 5 10.614 10.584 -7.427 1.00 64.05 H new ATOM 0 HD12 ILE A 5 9.546 9.951 -8.702 1.00 64.05 H new ATOM 0 HD13 ILE A 5 10.062 11.654 -8.737 1.00 64.05 H new ATOM 76 N SER A 6 5.017 10.496 -9.833 1.00 63.44 N ATOM 77 CA SER A 6 3.955 10.722 -10.806 1.00 34.41 C ATOM 78 C SER A 6 2.597 10.345 -10.225 1.00 2.22 C ATOM 79 O SER A 6 1.616 11.069 -10.394 1.00 53.23 O ATOM 80 CB SER A 6 4.221 9.914 -12.078 1.00 71.40 C ATOM 81 OG SER A 6 3.388 8.769 -12.137 1.00 42.32 O ATOM 0 H SER A 6 5.785 9.918 -10.174 1.00 63.44 H new ATOM 0 HA SER A 6 3.942 11.783 -11.054 1.00 34.41 H new ATOM 0 HB2 SER A 6 4.047 10.540 -12.953 1.00 71.40 H new ATOM 0 HB3 SER A 6 5.267 9.609 -12.107 1.00 71.40 H new ATOM 0 HG SER A 6 2.711 8.893 -12.834 1.00 42.32 H new ATOM 87 N GLU A 7 2.548 9.207 -9.540 1.00 61.11 N ATOM 88 CA GLU A 7 1.308 8.734 -8.934 1.00 23.42 C ATOM 89 C GLU A 7 0.767 9.753 -7.935 1.00 40.04 C ATOM 90 O GLU A 7 -0.432 9.792 -7.658 1.00 33.31 O ATOM 91 CB GLU A 7 1.536 7.391 -8.236 1.00 72.32 C ATOM 92 CG GLU A 7 1.098 6.194 -9.064 1.00 53.22 C ATOM 93 CD GLU A 7 -0.374 5.874 -8.895 1.00 62.25 C ATOM 94 OE1 GLU A 7 -0.866 5.929 -7.748 1.00 43.33 O ATOM 95 OE2 GLU A 7 -1.035 5.571 -9.910 1.00 50.32 O ATOM 0 H GLU A 7 3.351 8.596 -9.391 1.00 61.11 H new ATOM 0 HA GLU A 7 0.572 8.603 -9.728 1.00 23.42 H new ATOM 0 HB2 GLU A 7 2.595 7.290 -7.998 1.00 72.32 H new ATOM 0 HB3 GLU A 7 0.994 7.386 -7.290 1.00 72.32 H new ATOM 0 HG2 GLU A 7 1.305 6.390 -10.116 1.00 53.22 H new ATOM 0 HG3 GLU A 7 1.690 5.324 -8.779 1.00 53.22 H new ATOM 102 N LYS A 8 1.660 10.577 -7.398 1.00 33.13 N ATOM 103 CA LYS A 8 1.274 11.597 -6.430 1.00 4.14 C ATOM 104 C LYS A 8 0.748 12.844 -7.135 1.00 74.14 C ATOM 105 O LYS A 8 0.411 13.837 -6.489 1.00 64.53 O ATOM 106 CB LYS A 8 2.466 11.964 -5.542 1.00 75.53 C ATOM 107 CG LYS A 8 3.361 10.785 -5.208 1.00 22.34 C ATOM 108 CD LYS A 8 4.311 11.110 -4.069 1.00 11.10 C ATOM 109 CE LYS A 8 4.074 10.205 -2.870 1.00 11.21 C ATOM 110 NZ LYS A 8 5.352 9.810 -2.213 1.00 5.33 N ATOM 0 H LYS A 8 2.656 10.559 -7.617 1.00 33.13 H new ATOM 0 HA LYS A 8 0.477 11.189 -5.808 1.00 4.14 H new ATOM 0 HB2 LYS A 8 3.059 12.729 -6.043 1.00 75.53 H new ATOM 0 HB3 LYS A 8 2.096 12.403 -4.615 1.00 75.53 H new ATOM 0 HG2 LYS A 8 2.747 9.926 -4.937 1.00 22.34 H new ATOM 0 HG3 LYS A 8 3.934 10.501 -6.091 1.00 22.34 H new ATOM 0 HD2 LYS A 8 5.340 11.001 -4.410 1.00 11.10 H new ATOM 0 HD3 LYS A 8 4.182 12.151 -3.772 1.00 11.10 H new ATOM 0 HE2 LYS A 8 3.438 10.717 -2.148 1.00 11.21 H new ATOM 0 HE3 LYS A 8 3.538 9.311 -3.190 1.00 11.21 H new ATOM 0 HZ1 LYS A 8 5.166 9.065 -1.512 1.00 5.33 H new ATOM 0 HZ2 LYS A 8 6.015 9.453 -2.930 1.00 5.33 H new ATOM 0 HZ3 LYS A 8 5.768 10.636 -1.738 1.00 5.33 H new ATOM 124 N ILE A 9 0.680 12.785 -8.460 1.00 15.20 N ATOM 125 CA ILE A 9 0.192 13.908 -9.251 1.00 41.10 C ATOM 126 C ILE A 9 -0.978 13.492 -10.135 1.00 71.21 C ATOM 127 O ILE A 9 -1.561 14.315 -10.841 1.00 5.21 O ATOM 128 CB ILE A 9 1.306 14.498 -10.136 1.00 42.44 C ATOM 129 CG1 ILE A 9 2.605 14.631 -9.339 1.00 3.22 C ATOM 130 CG2 ILE A 9 0.879 15.847 -10.694 1.00 73.14 C ATOM 131 CD1 ILE A 9 3.751 15.202 -10.145 1.00 55.24 C ATOM 0 H ILE A 9 0.957 11.971 -9.009 1.00 15.20 H new ATOM 0 HA ILE A 9 -0.143 14.669 -8.546 1.00 41.10 H new ATOM 0 HB ILE A 9 1.484 13.821 -10.971 1.00 42.44 H new ATOM 0 HG12 ILE A 9 2.427 15.268 -8.473 1.00 3.22 H new ATOM 0 HG13 ILE A 9 2.891 13.650 -8.959 1.00 3.22 H new ATOM 0 HG21 ILE A 9 1.676 16.252 -11.317 1.00 73.14 H new ATOM 0 HG22 ILE A 9 -0.023 15.724 -11.293 1.00 73.14 H new ATOM 0 HG23 ILE A 9 0.677 16.534 -9.872 1.00 73.14 H new ATOM 0 HD11 ILE A 9 4.640 15.268 -9.517 1.00 55.24 H new ATOM 0 HD12 ILE A 9 3.956 14.553 -10.997 1.00 55.24 H new ATOM 0 HD13 ILE A 9 3.484 16.197 -10.503 1.00 55.24 H new ATOM 143 N VAL A 10 -1.319 12.207 -10.090 1.00 4.30 N ATOM 144 CA VAL A 10 -2.422 11.681 -10.884 1.00 43.34 C ATOM 145 C VAL A 10 -3.637 11.384 -10.010 1.00 34.04 C ATOM 146 O VAL A 10 -4.779 11.488 -10.459 1.00 71.51 O ATOM 147 CB VAL A 10 -2.014 10.397 -11.630 1.00 22.34 C ATOM 148 CG1 VAL A 10 -0.785 10.647 -12.489 1.00 23.30 C ATOM 149 CG2 VAL A 10 -1.766 9.266 -10.645 1.00 51.14 C ATOM 0 H VAL A 10 -0.847 11.512 -9.512 1.00 4.30 H new ATOM 0 HA VAL A 10 -2.682 12.449 -11.613 1.00 43.34 H new ATOM 0 HB VAL A 10 -2.832 10.103 -12.287 1.00 22.34 H new ATOM 0 HG11 VAL A 10 -0.511 9.729 -13.009 1.00 23.30 H new ATOM 0 HG12 VAL A 10 -1.004 11.426 -13.219 1.00 23.30 H new ATOM 0 HG13 VAL A 10 0.043 10.966 -11.856 1.00 23.30 H new ATOM 0 HG21 VAL A 10 -1.479 8.366 -11.189 1.00 51.14 H new ATOM 0 HG22 VAL A 10 -0.965 9.548 -9.961 1.00 51.14 H new ATOM 0 HG23 VAL A 10 -2.676 9.072 -10.077 1.00 51.14 H new ATOM 159 N LEU A 11 -3.382 11.015 -8.759 1.00 33.50 N ATOM 160 CA LEU A 11 -4.453 10.703 -7.821 1.00 22.11 C ATOM 161 C LEU A 11 -5.086 11.977 -7.273 1.00 23.40 C ATOM 162 O LEU A 11 -6.206 11.957 -6.764 1.00 73.14 O ATOM 163 CB LEU A 11 -3.917 9.850 -6.669 1.00 73.11 C ATOM 164 CG LEU A 11 -2.754 10.448 -5.877 1.00 24.02 C ATOM 165 CD1 LEU A 11 -3.268 11.414 -4.820 1.00 11.31 C ATOM 166 CD2 LEU A 11 -1.924 9.346 -5.235 1.00 62.13 C ATOM 0 H LEU A 11 -2.443 10.925 -8.372 1.00 33.50 H new ATOM 0 HA LEU A 11 -5.218 10.141 -8.356 1.00 22.11 H new ATOM 0 HB2 LEU A 11 -4.737 9.651 -5.978 1.00 73.11 H new ATOM 0 HB3 LEU A 11 -3.600 8.888 -7.072 1.00 73.11 H new ATOM 0 HG LEU A 11 -2.117 11.001 -6.567 1.00 24.02 H new ATOM 0 HD11 LEU A 11 -2.426 11.829 -4.267 1.00 11.31 H new ATOM 0 HD12 LEU A 11 -3.819 12.221 -5.302 1.00 11.31 H new ATOM 0 HD13 LEU A 11 -3.928 10.884 -4.133 1.00 11.31 H new ATOM 0 HD21 LEU A 11 -1.101 9.790 -4.675 1.00 62.13 H new ATOM 0 HD22 LEU A 11 -2.551 8.765 -4.559 1.00 62.13 H new ATOM 0 HD23 LEU A 11 -1.525 8.692 -6.011 1.00 62.13 H new ATOM 178 N MET A 12 -4.361 13.086 -7.383 1.00 51.31 N ATOM 179 CA MET A 12 -4.854 14.372 -6.902 1.00 35.35 C ATOM 180 C MET A 12 -5.350 15.231 -8.060 1.00 14.33 C ATOM 181 O MET A 12 -6.274 16.029 -7.900 1.00 15.55 O ATOM 182 CB MET A 12 -3.753 15.110 -6.138 1.00 43.44 C ATOM 183 CG MET A 12 -2.386 15.013 -6.796 1.00 42.04 C ATOM 184 SD MET A 12 -1.401 16.506 -6.576 1.00 23.34 S ATOM 185 CE MET A 12 -1.367 17.141 -8.250 1.00 1.34 C ATOM 0 H MET A 12 -3.431 13.120 -7.801 1.00 51.31 H new ATOM 0 HA MET A 12 -5.690 14.184 -6.228 1.00 35.35 H new ATOM 0 HB2 MET A 12 -4.028 16.161 -6.045 1.00 43.44 H new ATOM 0 HB3 MET A 12 -3.690 14.706 -5.128 1.00 43.44 H new ATOM 0 HG2 MET A 12 -1.847 14.162 -6.380 1.00 42.04 H new ATOM 0 HG3 MET A 12 -2.513 14.820 -7.861 1.00 42.04 H new ATOM 0 HE1 MET A 12 -0.465 17.736 -8.395 1.00 1.34 H new ATOM 0 HE2 MET A 12 -1.371 16.309 -8.955 1.00 1.34 H new ATOM 0 HE3 MET A 12 -2.244 17.765 -8.420 1.00 1.34 H new ATOM 195 N ARG A 13 -4.731 15.064 -9.224 1.00 72.22 N ATOM 196 CA ARG A 13 -5.109 15.827 -10.406 1.00 43.34 C ATOM 197 C ARG A 13 -6.463 15.368 -10.939 1.00 25.20 C ATOM 198 O ARG A 13 -7.253 16.171 -11.434 1.00 32.00 O ATOM 199 CB ARG A 13 -4.044 15.681 -11.496 1.00 43.40 C ATOM 200 CG ARG A 13 -4.394 16.399 -12.789 1.00 23.54 C ATOM 201 CD ARG A 13 -5.033 15.454 -13.795 1.00 1.24 C ATOM 202 NE ARG A 13 -4.057 14.543 -14.386 1.00 13.15 N ATOM 203 CZ ARG A 13 -4.388 13.496 -15.134 1.00 62.43 C ATOM 204 NH1 ARG A 13 -5.663 13.229 -15.380 1.00 34.04 N ATOM 205 NH2 ARG A 13 -3.443 12.712 -15.637 1.00 3.12 N ATOM 0 H ARG A 13 -3.965 14.407 -9.373 1.00 72.22 H new ATOM 0 HA ARG A 13 -5.186 16.876 -10.121 1.00 43.34 H new ATOM 0 HB2 ARG A 13 -3.097 16.068 -11.121 1.00 43.40 H new ATOM 0 HB3 ARG A 13 -3.895 14.622 -11.707 1.00 43.40 H new ATOM 0 HG2 ARG A 13 -5.077 17.222 -12.576 1.00 23.54 H new ATOM 0 HG3 ARG A 13 -3.493 16.836 -13.220 1.00 23.54 H new ATOM 0 HD2 ARG A 13 -5.816 14.877 -13.304 1.00 1.24 H new ATOM 0 HD3 ARG A 13 -5.512 16.034 -14.584 1.00 1.24 H new ATOM 0 HE ARG A 13 -3.067 14.720 -14.215 1.00 13.15 H new ATOM 0 HH11 ARG A 13 -6.393 13.828 -14.995 1.00 34.04 H new ATOM 0 HH12 ARG A 13 -5.914 12.424 -15.955 1.00 34.04 H new ATOM 0 HH21 ARG A 13 -2.461 12.913 -15.450 1.00 3.12 H new ATOM 0 HH22 ARG A 13 -3.699 11.909 -16.211 1.00 3.12 H new ATOM 219 N LYS A 14 -6.725 14.069 -10.835 1.00 43.14 N ATOM 220 CA LYS A 14 -7.983 13.501 -11.305 1.00 24.33 C ATOM 221 C LYS A 14 -9.128 13.866 -10.367 1.00 14.43 C ATOM 222 O LYS A 14 -10.289 13.909 -10.775 1.00 20.12 O ATOM 223 CB LYS A 14 -7.868 11.979 -11.418 1.00 73.54 C ATOM 224 CG LYS A 14 -7.640 11.490 -12.838 1.00 21.53 C ATOM 225 CD LYS A 14 -6.389 10.634 -12.939 1.00 2.42 C ATOM 226 CE LYS A 14 -6.468 9.421 -12.024 1.00 1.21 C ATOM 227 NZ LYS A 14 -6.121 8.163 -12.740 1.00 3.32 N ATOM 0 H LYS A 14 -6.082 13.389 -10.429 1.00 43.14 H new ATOM 0 HA LYS A 14 -8.196 13.918 -12.290 1.00 24.33 H new ATOM 0 HB2 LYS A 14 -7.046 11.637 -10.789 1.00 73.54 H new ATOM 0 HB3 LYS A 14 -8.779 11.524 -11.028 1.00 73.54 H new ATOM 0 HG2 LYS A 14 -8.504 10.913 -13.168 1.00 21.53 H new ATOM 0 HG3 LYS A 14 -7.552 12.345 -13.508 1.00 21.53 H new ATOM 0 HD2 LYS A 14 -6.254 10.306 -13.970 1.00 2.42 H new ATOM 0 HD3 LYS A 14 -5.516 11.232 -12.678 1.00 2.42 H new ATOM 0 HE2 LYS A 14 -5.791 9.557 -11.181 1.00 1.21 H new ATOM 0 HE3 LYS A 14 -7.475 9.340 -11.615 1.00 1.21 H new ATOM 0 HZ1 LYS A 14 -6.187 7.360 -12.082 1.00 3.32 H new ATOM 0 HZ2 LYS A 14 -6.783 8.019 -13.529 1.00 3.32 H new ATOM 0 HZ3 LYS A 14 -5.151 8.230 -13.109 1.00 3.32 H new ATOM 241 N SER A 15 -8.795 14.130 -9.107 1.00 0.52 N ATOM 242 CA SER A 15 -9.797 14.489 -8.111 1.00 34.52 C ATOM 243 C SER A 15 -10.469 15.812 -8.468 1.00 4.13 C ATOM 244 O SER A 15 -11.616 16.056 -8.097 1.00 42.32 O ATOM 245 CB SER A 15 -9.156 14.589 -6.725 1.00 23.33 C ATOM 246 OG SER A 15 -10.137 14.531 -5.704 1.00 1.04 O ATOM 0 H SER A 15 -7.839 14.102 -8.752 1.00 0.52 H new ATOM 0 HA SER A 15 -10.556 13.707 -8.098 1.00 34.52 H new ATOM 0 HB2 SER A 15 -8.440 13.778 -6.592 1.00 23.33 H new ATOM 0 HB3 SER A 15 -8.598 15.522 -6.645 1.00 23.33 H new ATOM 0 HG SER A 15 -9.702 14.595 -4.828 1.00 1.04 H new ATOM 252 N GLU A 16 -9.745 16.660 -9.192 1.00 24.43 N ATOM 253 CA GLU A 16 -10.271 17.957 -9.599 1.00 22.34 C ATOM 254 C GLU A 16 -11.164 17.820 -10.830 1.00 32.11 C ATOM 255 O GLU A 16 -11.808 18.781 -11.251 1.00 43.32 O ATOM 256 CB GLU A 16 -9.125 18.927 -9.892 1.00 13.35 C ATOM 257 CG GLU A 16 -9.535 20.389 -9.836 1.00 62.31 C ATOM 258 CD GLU A 16 -9.799 20.868 -8.422 1.00 2.34 C ATOM 259 OE1 GLU A 16 -9.639 20.059 -7.484 1.00 72.53 O ATOM 260 OE2 GLU A 16 -10.166 22.049 -8.253 1.00 14.23 O ATOM 0 H GLU A 16 -8.794 16.472 -9.508 1.00 24.43 H new ATOM 0 HA GLU A 16 -10.871 18.351 -8.779 1.00 22.34 H new ATOM 0 HB2 GLU A 16 -8.323 18.756 -9.174 1.00 13.35 H new ATOM 0 HB3 GLU A 16 -8.720 18.710 -10.880 1.00 13.35 H new ATOM 0 HG2 GLU A 16 -8.750 21.000 -10.282 1.00 62.31 H new ATOM 0 HG3 GLU A 16 -10.432 20.534 -10.438 1.00 62.31 H new ATOM 267 N TYR A 17 -11.195 16.621 -11.400 1.00 34.24 N ATOM 268 CA TYR A 17 -12.005 16.359 -12.583 1.00 3.21 C ATOM 269 C TYR A 17 -11.597 17.271 -13.736 1.00 63.52 C ATOM 270 O TYR A 17 -12.443 17.763 -14.484 1.00 30.34 O ATOM 271 CB TYR A 17 -13.488 16.553 -12.265 1.00 21.42 C ATOM 272 CG TYR A 17 -13.944 15.814 -11.027 1.00 23.24 C ATOM 273 CD1 TYR A 17 -14.191 14.448 -11.061 1.00 22.22 C ATOM 274 CD2 TYR A 17 -14.126 16.483 -9.822 1.00 54.02 C ATOM 275 CE1 TYR A 17 -14.608 13.769 -9.933 1.00 21.13 C ATOM 276 CE2 TYR A 17 -14.542 15.812 -8.689 1.00 50.43 C ATOM 277 CZ TYR A 17 -14.782 14.455 -8.750 1.00 22.22 C ATOM 278 OH TYR A 17 -15.196 13.782 -7.623 1.00 41.24 O ATOM 0 H TYR A 17 -10.669 15.815 -11.062 1.00 34.24 H new ATOM 0 HA TYR A 17 -11.837 15.325 -12.885 1.00 3.21 H new ATOM 0 HB2 TYR A 17 -13.687 17.617 -12.137 1.00 21.42 H new ATOM 0 HB3 TYR A 17 -14.080 16.218 -13.117 1.00 21.42 H new ATOM 0 HD1 TYR A 17 -14.055 13.907 -11.986 1.00 22.22 H new ATOM 0 HD2 TYR A 17 -13.939 17.545 -9.771 1.00 54.02 H new ATOM 0 HE1 TYR A 17 -14.797 12.707 -9.977 1.00 21.13 H new ATOM 0 HE2 TYR A 17 -14.679 16.347 -7.761 1.00 50.43 H new ATOM 0 HH TYR A 17 -15.268 14.411 -6.875 1.00 41.24 H new ATOM 288 N LEU A 18 -10.294 17.491 -13.875 1.00 50.01 N ATOM 289 CA LEU A 18 -9.772 18.344 -14.937 1.00 55.21 C ATOM 290 C LEU A 18 -8.969 17.526 -15.945 1.00 11.42 C ATOM 291 O LEU A 18 -8.724 16.338 -15.742 1.00 23.51 O ATOM 292 CB LEU A 18 -8.895 19.449 -14.346 1.00 71.45 C ATOM 293 CG LEU A 18 -7.608 18.991 -13.659 1.00 20.12 C ATOM 294 CD1 LEU A 18 -6.487 18.838 -14.675 1.00 2.31 C ATOM 295 CD2 LEU A 18 -7.210 19.969 -12.564 1.00 52.43 C ATOM 0 H LEU A 18 -9.580 17.091 -13.266 1.00 50.01 H new ATOM 0 HA LEU A 18 -10.617 18.798 -15.454 1.00 55.21 H new ATOM 0 HB2 LEU A 18 -8.630 20.141 -15.145 1.00 71.45 H new ATOM 0 HB3 LEU A 18 -9.489 20.009 -13.624 1.00 71.45 H new ATOM 0 HG LEU A 18 -7.789 18.019 -13.200 1.00 20.12 H new ATOM 0 HD11 LEU A 18 -5.579 18.512 -14.168 1.00 2.31 H new ATOM 0 HD12 LEU A 18 -6.772 18.097 -15.422 1.00 2.31 H new ATOM 0 HD13 LEU A 18 -6.306 19.795 -15.164 1.00 2.31 H new ATOM 0 HD21 LEU A 18 -6.292 19.627 -12.086 1.00 52.43 H new ATOM 0 HD22 LEU A 18 -7.047 20.955 -12.999 1.00 52.43 H new ATOM 0 HD23 LEU A 18 -8.006 20.027 -11.821 1.00 52.43 H new ATOM 307 N SER A 19 -8.559 18.174 -17.030 1.00 75.14 N ATOM 308 CA SER A 19 -7.784 17.508 -18.071 1.00 42.32 C ATOM 309 C SER A 19 -6.334 17.978 -18.054 1.00 72.22 C ATOM 310 O SER A 19 -6.021 19.044 -17.523 1.00 2.13 O ATOM 311 CB SER A 19 -8.402 17.773 -19.445 1.00 3.34 C ATOM 312 OG SER A 19 -9.391 16.807 -19.756 1.00 61.02 O ATOM 0 H SER A 19 -8.750 19.159 -17.212 1.00 75.14 H new ATOM 0 HA SER A 19 -7.802 16.436 -17.873 1.00 42.32 H new ATOM 0 HB2 SER A 19 -8.844 18.769 -19.462 1.00 3.34 H new ATOM 0 HB3 SER A 19 -7.622 17.758 -20.207 1.00 3.34 H new ATOM 0 HG SER A 19 -9.771 17.000 -20.638 1.00 61.02 H new ATOM 318 N ARG A 20 -5.450 17.174 -18.638 1.00 71.01 N ATOM 319 CA ARG A 20 -4.032 17.507 -18.689 1.00 24.20 C ATOM 320 C ARG A 20 -3.822 18.913 -19.242 1.00 73.30 C ATOM 321 O ARG A 20 -2.859 19.592 -18.887 1.00 23.14 O ATOM 322 CB ARG A 20 -3.279 16.491 -19.551 1.00 14.35 C ATOM 323 CG ARG A 20 -2.543 15.434 -18.744 1.00 64.12 C ATOM 324 CD ARG A 20 -1.342 14.892 -19.502 1.00 52.12 C ATOM 325 NE ARG A 20 -1.505 13.482 -19.848 1.00 31.03 N ATOM 326 CZ ARG A 20 -2.222 13.057 -20.882 1.00 33.21 C ATOM 327 NH1 ARG A 20 -2.838 13.929 -21.668 1.00 13.10 N ATOM 328 NH2 ARG A 20 -2.322 11.758 -21.133 1.00 51.12 N ATOM 0 H ARG A 20 -5.692 16.288 -19.082 1.00 71.01 H new ATOM 0 HA ARG A 20 -3.640 17.473 -17.672 1.00 24.20 H new ATOM 0 HB2 ARG A 20 -3.986 15.999 -20.219 1.00 14.35 H new ATOM 0 HB3 ARG A 20 -2.563 17.020 -20.179 1.00 14.35 H new ATOM 0 HG2 ARG A 20 -2.214 15.861 -17.797 1.00 64.12 H new ATOM 0 HG3 ARG A 20 -3.224 14.617 -18.506 1.00 64.12 H new ATOM 0 HD2 ARG A 20 -1.194 15.474 -20.412 1.00 52.12 H new ATOM 0 HD3 ARG A 20 -0.445 15.015 -18.896 1.00 52.12 H new ATOM 0 HE ARG A 20 -1.043 12.786 -19.263 1.00 31.03 H new ATOM 0 HH11 ARG A 20 -2.762 14.928 -21.479 1.00 13.10 H new ATOM 0 HH12 ARG A 20 -3.388 13.600 -22.462 1.00 13.10 H new ATOM 0 HH21 ARG A 20 -1.848 11.084 -20.531 1.00 51.12 H new ATOM 0 HH22 ARG A 20 -2.873 11.433 -21.927 1.00 51.12 H new ATOM 342 N GLN A 21 -4.731 19.343 -20.112 1.00 33.24 N ATOM 343 CA GLN A 21 -4.644 20.668 -20.714 1.00 62.13 C ATOM 344 C GLN A 21 -5.091 21.743 -19.730 1.00 32.54 C ATOM 345 O GLN A 21 -4.546 22.847 -19.712 1.00 15.25 O ATOM 346 CB GLN A 21 -5.499 20.733 -21.980 1.00 31.45 C ATOM 347 CG GLN A 21 -4.878 21.564 -23.092 1.00 12.41 C ATOM 348 CD GLN A 21 -5.171 21.005 -24.471 1.00 73.14 C ATOM 349 OE1 GLN A 21 -4.260 20.605 -25.198 1.00 3.42 O ATOM 350 NE2 GLN A 21 -6.445 20.974 -24.840 1.00 2.12 N ATOM 0 H GLN A 21 -5.535 18.793 -20.415 1.00 33.24 H new ATOM 0 HA GLN A 21 -3.602 20.852 -20.977 1.00 62.13 H new ATOM 0 HB2 GLN A 21 -5.669 19.720 -22.346 1.00 31.45 H new ATOM 0 HB3 GLN A 21 -6.475 21.149 -21.729 1.00 31.45 H new ATOM 0 HG2 GLN A 21 -5.254 22.585 -23.031 1.00 12.41 H new ATOM 0 HG3 GLN A 21 -3.799 21.612 -22.945 1.00 12.41 H new ATOM 0 HE21 GLN A 21 -7.168 21.315 -24.207 1.00 2.12 H new ATOM 0 HE22 GLN A 21 -6.702 20.609 -25.757 1.00 2.12 H new ATOM 359 N GLN A 22 -6.086 21.414 -18.913 1.00 51.23 N ATOM 360 CA GLN A 22 -6.607 22.354 -17.926 1.00 0.45 C ATOM 361 C GLN A 22 -5.539 22.709 -16.897 1.00 51.31 C ATOM 362 O GLN A 22 -5.295 23.885 -16.621 1.00 43.21 O ATOM 363 CB GLN A 22 -7.831 21.762 -17.224 1.00 11.44 C ATOM 364 CG GLN A 22 -8.455 22.697 -16.200 1.00 2.14 C ATOM 365 CD GLN A 22 -9.938 22.911 -16.434 1.00 62.24 C ATOM 366 OE1 GLN A 22 -10.716 21.958 -16.474 1.00 71.22 O ATOM 367 NE2 GLN A 22 -10.338 24.168 -16.591 1.00 62.52 N ATOM 0 H GLN A 22 -6.548 20.504 -18.914 1.00 51.23 H new ATOM 0 HA GLN A 22 -6.901 23.265 -18.448 1.00 0.45 H new ATOM 0 HB2 GLN A 22 -8.580 21.504 -17.973 1.00 11.44 H new ATOM 0 HB3 GLN A 22 -7.543 20.835 -16.729 1.00 11.44 H new ATOM 0 HG2 GLN A 22 -8.304 22.289 -15.201 1.00 2.14 H new ATOM 0 HG3 GLN A 22 -7.943 23.659 -16.232 1.00 2.14 H new ATOM 0 HE21 GLN A 22 -9.659 24.928 -16.550 1.00 62.52 H new ATOM 0 HE22 GLN A 22 -11.324 24.373 -16.752 1.00 62.52 H new ATOM 376 N LEU A 23 -4.905 21.688 -16.331 1.00 1.25 N ATOM 377 CA LEU A 23 -3.863 21.893 -15.332 1.00 22.42 C ATOM 378 C LEU A 23 -2.609 22.487 -15.966 1.00 63.10 C ATOM 379 O LEU A 23 -1.992 23.395 -15.410 1.00 73.44 O ATOM 380 CB LEU A 23 -3.522 20.570 -14.643 1.00 64.12 C ATOM 381 CG LEU A 23 -2.170 20.513 -13.932 1.00 63.23 C ATOM 382 CD1 LEU A 23 -2.014 21.694 -12.987 1.00 72.12 C ATOM 383 CD2 LEU A 23 -2.020 19.200 -13.176 1.00 24.14 C ATOM 0 H LEU A 23 -5.095 20.709 -16.547 1.00 1.25 H new ATOM 0 HA LEU A 23 -4.240 22.596 -14.589 1.00 22.42 H new ATOM 0 HB2 LEU A 23 -4.303 20.351 -13.914 1.00 64.12 H new ATOM 0 HB3 LEU A 23 -3.551 19.776 -15.390 1.00 64.12 H new ATOM 0 HG LEU A 23 -1.383 20.569 -14.684 1.00 63.23 H new ATOM 0 HD11 LEU A 23 -1.046 21.637 -12.490 1.00 72.12 H new ATOM 0 HD12 LEU A 23 -2.077 22.624 -13.553 1.00 72.12 H new ATOM 0 HD13 LEU A 23 -2.807 21.670 -12.240 1.00 72.12 H new ATOM 0 HD21 LEU A 23 -1.052 19.177 -12.676 1.00 24.14 H new ATOM 0 HD22 LEU A 23 -2.814 19.115 -12.434 1.00 24.14 H new ATOM 0 HD23 LEU A 23 -2.087 18.367 -13.876 1.00 24.14 H new ATOM 395 N ALA A 24 -2.242 21.969 -17.133 1.00 40.14 N ATOM 396 CA ALA A 24 -1.065 22.452 -17.845 1.00 33.11 C ATOM 397 C ALA A 24 -1.142 23.957 -18.077 1.00 23.23 C ATOM 398 O ALA A 24 -0.119 24.627 -18.221 1.00 34.43 O ATOM 399 CB ALA A 24 -0.911 21.719 -19.169 1.00 43.12 C ATOM 0 H ALA A 24 -2.742 21.216 -17.605 1.00 40.14 H new ATOM 0 HA ALA A 24 -0.190 22.251 -17.227 1.00 33.11 H new ATOM 0 HB1 ALA A 24 -0.028 22.090 -19.690 1.00 43.12 H new ATOM 0 HB2 ALA A 24 -0.800 20.651 -18.983 1.00 43.12 H new ATOM 0 HB3 ALA A 24 -1.794 21.890 -19.785 1.00 43.12 H new ATOM 405 N ASP A 25 -2.362 24.483 -18.116 1.00 0.02 N ATOM 406 CA ASP A 25 -2.573 25.910 -18.330 1.00 72.22 C ATOM 407 C ASP A 25 -2.598 26.661 -17.004 1.00 62.10 C ATOM 408 O ASP A 25 -2.366 27.870 -16.958 1.00 11.21 O ATOM 409 CB ASP A 25 -3.879 26.145 -19.090 1.00 75.11 C ATOM 410 CG ASP A 25 -3.673 26.942 -20.364 1.00 52.02 C ATOM 411 OD1 ASP A 25 -3.542 28.180 -20.273 1.00 73.30 O ATOM 412 OD2 ASP A 25 -3.644 26.326 -21.449 1.00 32.35 O ATOM 0 H ASP A 25 -3.219 23.942 -18.002 1.00 0.02 H new ATOM 0 HA ASP A 25 -1.742 26.290 -18.925 1.00 72.22 H new ATOM 0 HB2 ASP A 25 -4.331 25.184 -19.335 1.00 75.11 H new ATOM 0 HB3 ASP A 25 -4.582 26.672 -18.445 1.00 75.11 H new ATOM 417 N LEU A 26 -2.884 25.939 -15.926 1.00 11.45 N ATOM 418 CA LEU A 26 -2.941 26.538 -14.597 1.00 42.33 C ATOM 419 C LEU A 26 -1.543 26.879 -14.093 1.00 31.40 C ATOM 420 O LEU A 26 -1.362 27.822 -13.320 1.00 63.25 O ATOM 421 CB LEU A 26 -3.631 25.587 -13.618 1.00 5.25 C ATOM 422 CG LEU A 26 -5.013 26.017 -13.124 1.00 72.31 C ATOM 423 CD1 LEU A 26 -6.077 25.037 -13.594 1.00 51.25 C ATOM 424 CD2 LEU A 26 -5.026 26.135 -11.607 1.00 64.15 C ATOM 0 H LEU A 26 -3.080 24.938 -15.946 1.00 11.45 H new ATOM 0 HA LEU A 26 -3.517 27.461 -14.665 1.00 42.33 H new ATOM 0 HB2 LEU A 26 -3.725 24.612 -14.096 1.00 5.25 H new ATOM 0 HB3 LEU A 26 -2.982 25.456 -12.752 1.00 5.25 H new ATOM 0 HG LEU A 26 -5.239 26.996 -13.546 1.00 72.31 H new ATOM 0 HD11 LEU A 26 -7.054 25.359 -13.233 1.00 51.25 H new ATOM 0 HD12 LEU A 26 -6.086 25.004 -14.683 1.00 51.25 H new ATOM 0 HD13 LEU A 26 -5.855 24.044 -13.203 1.00 51.25 H new ATOM 0 HD21 LEU A 26 -6.018 26.442 -11.274 1.00 64.15 H new ATOM 0 HD22 LEU A 26 -4.777 25.170 -11.165 1.00 64.15 H new ATOM 0 HD23 LEU A 26 -4.292 26.878 -11.294 1.00 64.15 H new ATOM 436 N THR A 27 -0.555 26.108 -14.535 1.00 4.14 N ATOM 437 CA THR A 27 0.828 26.329 -14.130 1.00 54.35 C ATOM 438 C THR A 27 1.675 26.809 -15.304 1.00 0.33 C ATOM 439 O THR A 27 2.753 27.371 -15.114 1.00 41.53 O ATOM 440 CB THR A 27 1.455 25.048 -13.550 1.00 71.31 C ATOM 441 OG1 THR A 27 2.873 25.206 -13.432 1.00 70.12 O ATOM 442 CG2 THR A 27 1.145 23.847 -14.430 1.00 31.12 C ATOM 0 H THR A 27 -0.687 25.324 -15.174 1.00 4.14 H new ATOM 0 HA THR A 27 0.812 27.099 -13.358 1.00 54.35 H new ATOM 0 HB THR A 27 1.026 24.875 -12.563 1.00 71.31 H new ATOM 0 HG1 THR A 27 3.323 24.436 -13.838 1.00 70.12 H new ATOM 0 HG21 THR A 27 1.598 22.954 -14.000 1.00 31.12 H new ATOM 0 HG22 THR A 27 0.065 23.711 -14.493 1.00 31.12 H new ATOM 0 HG23 THR A 27 1.549 24.014 -15.429 1.00 31.12 H new ATOM 450 N GLY A 28 1.179 26.585 -16.517 1.00 71.14 N ATOM 451 CA GLY A 28 1.903 27.002 -17.703 1.00 55.42 C ATOM 452 C GLY A 28 2.909 25.964 -18.163 1.00 63.01 C ATOM 453 O GLY A 28 3.826 26.273 -18.923 1.00 24.43 O ATOM 0 H GLY A 28 0.289 26.122 -16.699 1.00 71.14 H new ATOM 0 HA2 GLY A 28 1.194 27.198 -18.507 1.00 55.42 H new ATOM 0 HA3 GLY A 28 2.420 27.939 -17.498 1.00 55.42 H new ATOM 457 N VAL A 29 2.736 24.730 -17.700 1.00 50.12 N ATOM 458 CA VAL A 29 3.636 23.643 -18.068 1.00 54.03 C ATOM 459 C VAL A 29 3.369 23.167 -19.491 1.00 24.12 C ATOM 460 O VAL A 29 2.244 23.218 -19.989 1.00 11.23 O ATOM 461 CB VAL A 29 3.499 22.450 -17.104 1.00 3.24 C ATOM 462 CG1 VAL A 29 3.136 21.186 -17.868 1.00 14.34 C ATOM 463 CG2 VAL A 29 4.783 22.254 -16.312 1.00 50.23 C ATOM 0 H VAL A 29 1.981 24.458 -17.070 1.00 50.12 H new ATOM 0 HA VAL A 29 4.651 24.036 -18.004 1.00 54.03 H new ATOM 0 HB VAL A 29 2.695 22.664 -16.400 1.00 3.24 H new ATOM 0 HG11 VAL A 29 3.043 20.353 -17.171 1.00 14.34 H new ATOM 0 HG12 VAL A 29 2.188 21.333 -18.385 1.00 14.34 H new ATOM 0 HG13 VAL A 29 3.916 20.964 -18.596 1.00 14.34 H new ATOM 0 HG21 VAL A 29 4.668 21.407 -15.636 1.00 50.23 H new ATOM 0 HG22 VAL A 29 5.608 22.061 -16.998 1.00 50.23 H new ATOM 0 HG23 VAL A 29 4.995 23.153 -15.734 1.00 50.23 H new ATOM 473 N PRO A 30 4.427 22.691 -20.164 1.00 5.34 N ATOM 474 CA PRO A 30 4.332 22.194 -21.540 1.00 54.13 C ATOM 475 C PRO A 30 3.561 20.882 -21.631 1.00 3.43 C ATOM 476 O PRO A 30 4.052 19.832 -21.218 1.00 5.21 O ATOM 477 CB PRO A 30 5.794 21.985 -21.943 1.00 44.23 C ATOM 478 CG PRO A 30 6.513 21.764 -20.657 1.00 71.13 C ATOM 479 CD PRO A 30 5.798 22.601 -19.633 1.00 14.15 C ATOM 0 HA PRO A 30 3.792 22.885 -22.187 1.00 54.13 H new ATOM 0 HB2 PRO A 30 5.903 21.129 -22.609 1.00 44.23 H new ATOM 0 HB3 PRO A 30 6.187 22.853 -22.472 1.00 44.23 H new ATOM 0 HG2 PRO A 30 6.499 20.710 -20.378 1.00 71.13 H new ATOM 0 HG3 PRO A 30 7.559 22.058 -20.740 1.00 71.13 H new ATOM 0 HD2 PRO A 30 5.818 22.135 -18.648 1.00 14.15 H new ATOM 0 HD3 PRO A 30 6.254 23.585 -19.529 1.00 14.15 H new ATOM 487 N TYR A 31 2.351 20.949 -22.174 1.00 25.44 N ATOM 488 CA TYR A 31 1.510 19.766 -22.317 1.00 32.30 C ATOM 489 C TYR A 31 2.269 18.640 -23.012 1.00 14.22 C ATOM 490 O TYR A 31 2.126 17.470 -22.662 1.00 34.33 O ATOM 491 CB TYR A 31 0.244 20.106 -23.106 1.00 63.02 C ATOM 492 CG TYR A 31 -0.657 18.917 -23.346 1.00 1.51 C ATOM 493 CD1 TYR A 31 -0.456 18.076 -24.435 1.00 32.10 C ATOM 494 CD2 TYR A 31 -1.710 18.632 -22.485 1.00 12.33 C ATOM 495 CE1 TYR A 31 -1.277 16.988 -24.658 1.00 35.12 C ATOM 496 CE2 TYR A 31 -2.535 17.545 -22.700 1.00 62.12 C ATOM 497 CZ TYR A 31 -2.315 16.727 -23.788 1.00 32.41 C ATOM 498 OH TYR A 31 -3.135 15.644 -24.007 1.00 11.03 O ATOM 0 H TYR A 31 1.930 21.810 -22.523 1.00 25.44 H new ATOM 0 HA TYR A 31 1.228 19.429 -21.320 1.00 32.30 H new ATOM 0 HB2 TYR A 31 -0.315 20.872 -22.568 1.00 63.02 H new ATOM 0 HB3 TYR A 31 0.529 20.535 -24.067 1.00 63.02 H new ATOM 0 HD1 TYR A 31 0.356 18.277 -25.118 1.00 32.10 H new ATOM 0 HD2 TYR A 31 -1.886 19.272 -21.633 1.00 12.33 H new ATOM 0 HE1 TYR A 31 -1.107 16.345 -25.509 1.00 35.12 H new ATOM 0 HE2 TYR A 31 -3.348 17.337 -22.020 1.00 62.12 H new ATOM 0 HH TYR A 31 -2.629 14.937 -24.459 1.00 11.03 H new ATOM 508 N GLY A 32 3.080 19.004 -24.002 1.00 2.44 N ATOM 509 CA GLY A 32 3.850 18.014 -24.732 1.00 73.33 C ATOM 510 C GLY A 32 4.661 17.119 -23.814 1.00 15.40 C ATOM 511 O GLY A 32 4.746 15.910 -24.031 1.00 5.33 O ATOM 0 H GLY A 32 3.217 19.966 -24.311 1.00 2.44 H new ATOM 0 HA2 GLY A 32 3.175 17.401 -25.329 1.00 73.33 H new ATOM 0 HA3 GLY A 32 4.520 18.520 -25.427 1.00 73.33 H new ATOM 515 N THR A 33 5.260 17.714 -22.788 1.00 2.10 N ATOM 516 CA THR A 33 6.070 16.963 -21.836 1.00 33.22 C ATOM 517 C THR A 33 5.228 16.475 -20.662 1.00 41.20 C ATOM 518 O THR A 33 5.516 15.435 -20.070 1.00 25.30 O ATOM 519 CB THR A 33 7.236 17.814 -21.298 1.00 51.23 C ATOM 520 OG1 THR A 33 7.722 18.685 -22.325 1.00 63.51 O ATOM 521 CG2 THR A 33 8.368 16.927 -20.801 1.00 43.02 C ATOM 0 H THR A 33 5.200 18.714 -22.594 1.00 2.10 H new ATOM 0 HA THR A 33 6.473 16.104 -22.372 1.00 33.22 H new ATOM 0 HB THR A 33 6.867 18.409 -20.462 1.00 51.23 H new ATOM 0 HG1 THR A 33 8.462 19.224 -21.974 1.00 63.51 H new ATOM 0 HG21 THR A 33 9.180 17.550 -20.426 1.00 43.02 H new ATOM 0 HG22 THR A 33 8.002 16.286 -19.999 1.00 43.02 H new ATOM 0 HG23 THR A 33 8.733 16.310 -21.622 1.00 43.02 H new ATOM 529 N LEU A 34 4.187 17.232 -20.332 1.00 24.43 N ATOM 530 CA LEU A 34 3.303 16.874 -19.228 1.00 43.23 C ATOM 531 C LEU A 34 2.806 15.439 -19.371 1.00 50.10 C ATOM 532 O LEU A 34 2.649 14.725 -18.380 1.00 64.13 O ATOM 533 CB LEU A 34 2.113 17.834 -19.171 1.00 34.41 C ATOM 534 CG LEU A 34 1.006 17.474 -18.181 1.00 14.43 C ATOM 535 CD1 LEU A 34 1.444 17.778 -16.756 1.00 3.32 C ATOM 536 CD2 LEU A 34 -0.276 18.221 -18.517 1.00 12.32 C ATOM 0 H LEU A 34 3.935 18.096 -20.812 1.00 24.43 H new ATOM 0 HA LEU A 34 3.871 16.951 -18.301 1.00 43.23 H new ATOM 0 HB2 LEU A 34 2.485 18.828 -18.923 1.00 34.41 H new ATOM 0 HB3 LEU A 34 1.675 17.897 -20.167 1.00 34.41 H new ATOM 0 HG LEU A 34 0.810 16.405 -18.259 1.00 14.43 H new ATOM 0 HD11 LEU A 34 0.643 17.515 -16.065 1.00 3.32 H new ATOM 0 HD12 LEU A 34 2.334 17.196 -16.517 1.00 3.32 H new ATOM 0 HD13 LEU A 34 1.669 18.840 -16.663 1.00 3.32 H new ATOM 0 HD21 LEU A 34 -1.052 17.952 -17.801 1.00 12.32 H new ATOM 0 HD22 LEU A 34 -0.095 19.295 -18.469 1.00 12.32 H new ATOM 0 HD23 LEU A 34 -0.601 17.953 -19.522 1.00 12.32 H new ATOM 548 N SER A 35 2.562 15.023 -20.609 1.00 63.13 N ATOM 549 CA SER A 35 2.083 13.673 -20.880 1.00 73.31 C ATOM 550 C SER A 35 3.008 12.631 -20.259 1.00 51.22 C ATOM 551 O SER A 35 2.564 11.563 -19.836 1.00 50.40 O ATOM 552 CB SER A 35 1.977 13.441 -22.389 1.00 42.24 C ATOM 553 OG SER A 35 3.257 13.259 -22.968 1.00 24.01 O ATOM 0 H SER A 35 2.688 15.601 -21.440 1.00 63.13 H new ATOM 0 HA SER A 35 1.095 13.569 -20.431 1.00 73.31 H new ATOM 0 HB2 SER A 35 1.359 12.564 -22.583 1.00 42.24 H new ATOM 0 HB3 SER A 35 1.480 14.291 -22.857 1.00 42.24 H new ATOM 0 HG SER A 35 3.612 14.126 -23.255 1.00 24.01 H new ATOM 559 N TYR A 36 4.297 12.951 -20.205 1.00 24.31 N ATOM 560 CA TYR A 36 5.286 12.044 -19.638 1.00 24.32 C ATOM 561 C TYR A 36 5.472 12.304 -18.145 1.00 10.31 C ATOM 562 O TYR A 36 5.901 11.424 -17.399 1.00 72.52 O ATOM 563 CB TYR A 36 6.624 12.196 -20.364 1.00 60.32 C ATOM 564 CG TYR A 36 6.586 11.740 -21.805 1.00 21.33 C ATOM 565 CD1 TYR A 36 6.020 10.519 -22.153 1.00 33.34 C ATOM 566 CD2 TYR A 36 7.117 12.528 -22.817 1.00 21.51 C ATOM 567 CE1 TYR A 36 5.983 10.098 -23.468 1.00 14.13 C ATOM 568 CE2 TYR A 36 7.084 12.116 -24.135 1.00 11.33 C ATOM 569 CZ TYR A 36 6.517 10.901 -24.456 1.00 3.04 C ATOM 570 OH TYR A 36 6.483 10.486 -25.768 1.00 45.51 O ATOM 0 H TYR A 36 4.680 13.832 -20.547 1.00 24.31 H new ATOM 0 HA TYR A 36 4.923 11.024 -19.768 1.00 24.32 H new ATOM 0 HB2 TYR A 36 6.929 13.242 -20.331 1.00 60.32 H new ATOM 0 HB3 TYR A 36 7.384 11.625 -19.831 1.00 60.32 H new ATOM 0 HD1 TYR A 36 5.602 9.889 -21.382 1.00 33.34 H new ATOM 0 HD2 TYR A 36 7.564 13.480 -22.570 1.00 21.51 H new ATOM 0 HE1 TYR A 36 5.539 9.147 -23.722 1.00 14.13 H new ATOM 0 HE2 TYR A 36 7.500 12.742 -24.910 1.00 11.33 H new ATOM 0 HH TYR A 36 6.899 11.167 -26.337 1.00 45.51 H new ATOM 580 N TYR A 37 5.145 13.519 -17.720 1.00 54.21 N ATOM 581 CA TYR A 37 5.276 13.897 -16.317 1.00 5.01 C ATOM 582 C TYR A 37 4.421 13.000 -15.428 1.00 44.23 C ATOM 583 O TYR A 37 4.942 12.177 -14.675 1.00 51.30 O ATOM 584 CB TYR A 37 4.874 15.360 -16.123 1.00 11.33 C ATOM 585 CG TYR A 37 6.007 16.336 -16.346 1.00 63.44 C ATOM 586 CD1 TYR A 37 6.991 16.083 -17.294 1.00 74.01 C ATOM 587 CD2 TYR A 37 6.094 17.510 -15.610 1.00 44.14 C ATOM 588 CE1 TYR A 37 8.029 16.971 -17.500 1.00 44.51 C ATOM 589 CE2 TYR A 37 7.127 18.405 -15.811 1.00 1.34 C ATOM 590 CZ TYR A 37 8.093 18.130 -16.756 1.00 71.32 C ATOM 591 OH TYR A 37 9.124 19.018 -16.961 1.00 40.12 O ATOM 0 H TYR A 37 4.788 14.258 -18.325 1.00 54.21 H new ATOM 0 HA TYR A 37 6.320 13.772 -16.029 1.00 5.01 H new ATOM 0 HB2 TYR A 37 4.061 15.598 -16.809 1.00 11.33 H new ATOM 0 HB3 TYR A 37 4.487 15.490 -15.112 1.00 11.33 H new ATOM 0 HD1 TYR A 37 6.943 15.177 -17.880 1.00 74.01 H new ATOM 0 HD2 TYR A 37 5.341 17.727 -14.867 1.00 44.14 H new ATOM 0 HE1 TYR A 37 8.786 16.758 -18.240 1.00 44.51 H new ATOM 0 HE2 TYR A 37 7.178 19.315 -15.231 1.00 1.34 H new ATOM 0 HH TYR A 37 9.022 19.783 -16.357 1.00 40.12 H new ATOM 601 N GLU A 38 3.106 13.165 -15.522 1.00 3.11 N ATOM 602 CA GLU A 38 2.178 12.370 -14.726 1.00 5.14 C ATOM 603 C GLU A 38 2.315 10.886 -15.050 1.00 64.14 C ATOM 604 O GLU A 38 1.928 10.028 -14.258 1.00 41.42 O ATOM 605 CB GLU A 38 0.739 12.827 -14.974 1.00 45.31 C ATOM 606 CG GLU A 38 0.284 12.653 -16.413 1.00 24.31 C ATOM 607 CD GLU A 38 -0.730 11.536 -16.574 1.00 34.22 C ATOM 608 OE1 GLU A 38 -0.649 10.548 -15.814 1.00 25.54 O ATOM 609 OE2 GLU A 38 -1.602 11.650 -17.459 1.00 33.41 O ATOM 0 H GLU A 38 2.659 13.841 -16.141 1.00 3.11 H new ATOM 0 HA GLU A 38 2.423 12.518 -13.674 1.00 5.14 H new ATOM 0 HB2 GLU A 38 0.071 12.266 -14.320 1.00 45.31 H new ATOM 0 HB3 GLU A 38 0.648 13.877 -14.698 1.00 45.31 H new ATOM 0 HG2 GLU A 38 -0.151 13.587 -16.768 1.00 24.31 H new ATOM 0 HG3 GLU A 38 1.150 12.446 -17.041 1.00 24.31 H new ATOM 616 N SER A 39 2.869 10.592 -16.222 1.00 60.13 N ATOM 617 CA SER A 39 3.055 9.212 -16.655 1.00 34.13 C ATOM 618 C SER A 39 4.210 8.557 -15.904 1.00 11.41 C ATOM 619 O SER A 39 4.404 7.344 -15.974 1.00 14.05 O ATOM 620 CB SER A 39 3.315 9.158 -18.162 1.00 51.23 C ATOM 621 OG SER A 39 3.574 7.831 -18.588 1.00 13.01 O ATOM 0 H SER A 39 3.197 11.291 -16.889 1.00 60.13 H new ATOM 0 HA SER A 39 2.141 8.661 -16.431 1.00 34.13 H new ATOM 0 HB2 SER A 39 2.452 9.553 -18.697 1.00 51.23 H new ATOM 0 HB3 SER A 39 4.164 9.795 -18.411 1.00 51.23 H new ATOM 0 HG SER A 39 3.907 7.304 -17.832 1.00 13.01 H new ATOM 627 N GLY A 40 4.979 9.372 -15.186 1.00 14.52 N ATOM 628 CA GLY A 40 6.106 8.856 -14.433 1.00 24.23 C ATOM 629 C GLY A 40 7.265 8.456 -15.324 1.00 45.11 C ATOM 630 O GLY A 40 8.148 7.706 -14.907 1.00 74.53 O ATOM 0 H GLY A 40 4.841 10.380 -15.113 1.00 14.52 H new ATOM 0 HA2 GLY A 40 6.442 9.612 -13.723 1.00 24.23 H new ATOM 0 HA3 GLY A 40 5.785 7.993 -13.850 1.00 24.23 H new ATOM 634 N ARG A 41 7.262 8.955 -16.556 1.00 4.24 N ATOM 635 CA ARG A 41 8.319 8.643 -17.510 1.00 13.35 C ATOM 636 C ARG A 41 9.676 9.108 -16.989 1.00 52.13 C ATOM 637 O ARG A 41 10.691 8.440 -17.187 1.00 61.34 O ATOM 638 CB ARG A 41 8.028 9.299 -18.860 1.00 40.30 C ATOM 639 CG ARG A 41 8.553 8.509 -20.048 1.00 52.51 C ATOM 640 CD ARG A 41 7.552 7.458 -20.504 1.00 42.11 C ATOM 641 NE ARG A 41 7.963 6.816 -21.750 1.00 62.55 N ATOM 642 CZ ARG A 41 7.382 5.728 -22.241 1.00 34.51 C ATOM 643 NH1 ARG A 41 6.371 5.162 -21.596 1.00 62.54 N ATOM 644 NH2 ARG A 41 7.812 5.202 -23.381 1.00 43.33 N ATOM 0 H ARG A 41 6.539 9.577 -16.917 1.00 4.24 H new ATOM 0 HA ARG A 41 8.349 7.561 -17.639 1.00 13.35 H new ATOM 0 HB2 ARG A 41 6.951 9.427 -18.967 1.00 40.30 H new ATOM 0 HB3 ARG A 41 8.470 10.295 -18.873 1.00 40.30 H new ATOM 0 HG2 ARG A 41 8.769 9.189 -20.872 1.00 52.51 H new ATOM 0 HG3 ARG A 41 9.492 8.026 -19.779 1.00 52.51 H new ATOM 0 HD2 ARG A 41 7.440 6.702 -19.726 1.00 42.11 H new ATOM 0 HD3 ARG A 41 6.575 7.922 -20.640 1.00 42.11 H new ATOM 0 HE ARG A 41 8.738 7.226 -22.271 1.00 62.55 H new ATOM 0 HH11 ARG A 41 6.037 5.563 -20.719 1.00 62.54 H new ATOM 0 HH12 ARG A 41 5.927 4.326 -21.977 1.00 62.54 H new ATOM 0 HH21 ARG A 41 8.589 5.634 -23.881 1.00 43.33 H new ATOM 0 HH22 ARG A 41 7.365 4.366 -23.758 1.00 43.33 H new ATOM 658 N SER A 42 9.686 10.258 -16.323 1.00 70.41 N ATOM 659 CA SER A 42 10.918 10.815 -15.776 1.00 61.23 C ATOM 660 C SER A 42 10.619 11.779 -14.632 1.00 5.23 C ATOM 661 O SER A 42 9.519 12.323 -14.534 1.00 13.14 O ATOM 662 CB SER A 42 11.706 11.535 -16.872 1.00 24.10 C ATOM 663 OG SER A 42 12.988 10.954 -17.045 1.00 12.30 O ATOM 0 H SER A 42 8.855 10.823 -16.149 1.00 70.41 H new ATOM 0 HA SER A 42 11.518 9.993 -15.386 1.00 61.23 H new ATOM 0 HB2 SER A 42 11.153 11.490 -17.811 1.00 24.10 H new ATOM 0 HB3 SER A 42 11.813 12.589 -16.615 1.00 24.10 H new ATOM 0 HG SER A 42 13.471 11.431 -17.752 1.00 12.30 H new ATOM 669 N THR A 43 11.607 11.986 -13.768 1.00 12.02 N ATOM 670 CA THR A 43 11.451 12.883 -12.629 1.00 14.23 C ATOM 671 C THR A 43 11.673 14.335 -13.038 1.00 53.01 C ATOM 672 O THR A 43 12.769 14.733 -13.432 1.00 0.33 O ATOM 673 CB THR A 43 12.429 12.526 -11.495 1.00 21.52 C ATOM 674 OG1 THR A 43 13.154 11.337 -11.829 1.00 2.04 O ATOM 675 CG2 THR A 43 11.685 12.321 -10.184 1.00 51.25 C ATOM 0 H THR A 43 12.524 11.545 -13.835 1.00 12.02 H new ATOM 0 HA THR A 43 10.429 12.762 -12.269 1.00 14.23 H new ATOM 0 HB THR A 43 13.127 13.354 -11.373 1.00 21.52 H new ATOM 0 HG1 THR A 43 13.904 11.565 -12.418 1.00 2.04 H new ATOM 0 HG21 THR A 43 12.396 12.070 -9.397 1.00 51.25 H new ATOM 0 HG22 THR A 43 11.158 13.237 -9.918 1.00 51.25 H new ATOM 0 HG23 THR A 43 10.967 11.509 -10.296 1.00 51.25 H new ATOM 683 N PRO A 44 10.610 15.146 -12.943 1.00 21.02 N ATOM 684 CA PRO A 44 10.664 16.567 -13.298 1.00 52.42 C ATOM 685 C PRO A 44 11.495 17.380 -12.311 1.00 70.25 C ATOM 686 O PRO A 44 11.850 16.912 -11.228 1.00 3.54 O ATOM 687 CB PRO A 44 9.197 17.003 -13.247 1.00 71.00 C ATOM 688 CG PRO A 44 8.552 16.048 -12.304 1.00 72.24 C ATOM 689 CD PRO A 44 9.272 14.740 -12.481 1.00 61.30 C ATOM 0 HA PRO A 44 11.137 16.726 -14.267 1.00 52.42 H new ATOM 0 HB2 PRO A 44 9.101 18.031 -12.897 1.00 71.00 H new ATOM 0 HB3 PRO A 44 8.736 16.958 -14.234 1.00 71.00 H new ATOM 0 HG2 PRO A 44 8.632 16.401 -11.276 1.00 72.24 H new ATOM 0 HG3 PRO A 44 7.490 15.941 -12.523 1.00 72.24 H new ATOM 0 HD2 PRO A 44 9.322 14.180 -11.547 1.00 61.30 H new ATOM 0 HD3 PRO A 44 8.772 14.102 -13.209 1.00 61.30 H new ATOM 697 N PRO A 45 11.816 18.625 -12.690 1.00 71.15 N ATOM 698 CA PRO A 45 12.609 19.530 -11.852 1.00 45.31 C ATOM 699 C PRO A 45 11.844 19.997 -10.618 1.00 45.42 C ATOM 700 O PRO A 45 10.673 19.659 -10.435 1.00 14.40 O ATOM 701 CB PRO A 45 12.899 20.712 -12.780 1.00 13.01 C ATOM 702 CG PRO A 45 11.788 20.695 -13.773 1.00 51.14 C ATOM 703 CD PRO A 45 11.427 19.249 -13.967 1.00 25.43 C ATOM 0 HA PRO A 45 13.505 19.045 -11.465 1.00 45.31 H new ATOM 0 HB2 PRO A 45 12.923 21.652 -12.228 1.00 13.01 H new ATOM 0 HB3 PRO A 45 13.868 20.604 -13.268 1.00 13.01 H new ATOM 0 HG2 PRO A 45 10.933 21.265 -13.411 1.00 51.14 H new ATOM 0 HG3 PRO A 45 12.099 21.149 -14.714 1.00 51.14 H new ATOM 0 HD2 PRO A 45 10.363 19.124 -14.167 1.00 25.43 H new ATOM 0 HD3 PRO A 45 11.964 18.810 -14.808 1.00 25.43 H new ATOM 711 N THR A 46 12.511 20.776 -9.774 1.00 13.11 N ATOM 712 CA THR A 46 11.894 21.290 -8.556 1.00 31.11 C ATOM 713 C THR A 46 11.139 22.586 -8.827 1.00 24.32 C ATOM 714 O THR A 46 10.103 22.851 -8.218 1.00 10.01 O ATOM 715 CB THR A 46 12.943 21.539 -7.457 1.00 23.32 C ATOM 716 OG1 THR A 46 13.757 20.374 -7.283 1.00 51.14 O ATOM 717 CG2 THR A 46 12.272 21.896 -6.139 1.00 20.13 C ATOM 0 H THR A 46 13.479 21.066 -9.911 1.00 13.11 H new ATOM 0 HA THR A 46 11.193 20.530 -8.212 1.00 31.11 H new ATOM 0 HB THR A 46 13.569 22.376 -7.767 1.00 23.32 H new ATOM 0 HG1 THR A 46 14.192 20.407 -6.405 1.00 51.14 H new ATOM 0 HG21 THR A 46 13.033 22.067 -5.378 1.00 20.13 H new ATOM 0 HG22 THR A 46 11.677 22.800 -6.267 1.00 20.13 H new ATOM 0 HG23 THR A 46 11.625 21.077 -5.827 1.00 20.13 H new ATOM 725 N ASP A 47 11.665 23.390 -9.745 1.00 42.22 N ATOM 726 CA ASP A 47 11.040 24.660 -10.097 1.00 11.00 C ATOM 727 C ASP A 47 9.644 24.437 -10.671 1.00 64.31 C ATOM 728 O ASP A 47 8.723 25.213 -10.413 1.00 65.11 O ATOM 729 CB ASP A 47 11.904 25.415 -11.108 1.00 53.22 C ATOM 730 CG ASP A 47 11.700 26.915 -11.036 1.00 65.03 C ATOM 731 OD1 ASP A 47 10.622 27.347 -10.578 1.00 21.44 O ATOM 732 OD2 ASP A 47 12.619 27.659 -11.440 1.00 61.13 O ATOM 0 H ASP A 47 12.522 23.185 -10.259 1.00 42.22 H new ATOM 0 HA ASP A 47 10.950 25.257 -9.189 1.00 11.00 H new ATOM 0 HB2 ASP A 47 12.954 25.185 -10.928 1.00 53.22 H new ATOM 0 HB3 ASP A 47 11.669 25.067 -12.114 1.00 53.22 H new ATOM 737 N VAL A 48 9.493 23.372 -11.451 1.00 60.11 N ATOM 738 CA VAL A 48 8.210 23.045 -12.061 1.00 45.24 C ATOM 739 C VAL A 48 7.326 22.260 -11.098 1.00 11.34 C ATOM 740 O VAL A 48 6.141 22.554 -10.947 1.00 1.53 O ATOM 741 CB VAL A 48 8.393 22.228 -13.354 1.00 14.52 C ATOM 742 CG1 VAL A 48 7.043 21.837 -13.935 1.00 74.34 C ATOM 743 CG2 VAL A 48 9.212 23.013 -14.367 1.00 62.30 C ATOM 0 H VAL A 48 10.244 22.720 -11.676 1.00 60.11 H new ATOM 0 HA VAL A 48 7.727 23.991 -12.304 1.00 45.24 H new ATOM 0 HB VAL A 48 8.935 21.314 -13.112 1.00 14.52 H new ATOM 0 HG11 VAL A 48 7.193 21.261 -14.848 1.00 74.34 H new ATOM 0 HG12 VAL A 48 6.496 21.234 -13.211 1.00 74.34 H new ATOM 0 HG13 VAL A 48 6.471 22.736 -14.164 1.00 74.34 H new ATOM 0 HG21 VAL A 48 9.332 22.421 -15.275 1.00 62.30 H new ATOM 0 HG22 VAL A 48 8.699 23.945 -14.606 1.00 62.30 H new ATOM 0 HG23 VAL A 48 10.193 23.236 -13.947 1.00 62.30 H new ATOM 753 N MET A 49 7.913 21.261 -10.447 1.00 23.51 N ATOM 754 CA MET A 49 7.179 20.434 -9.496 1.00 32.02 C ATOM 755 C MET A 49 6.385 21.299 -8.523 1.00 43.12 C ATOM 756 O MET A 49 5.184 21.103 -8.340 1.00 54.11 O ATOM 757 CB MET A 49 8.142 19.530 -8.725 1.00 51.33 C ATOM 758 CG MET A 49 7.472 18.730 -7.620 1.00 21.11 C ATOM 759 SD MET A 49 8.210 19.027 -6.001 1.00 71.53 S ATOM 760 CE MET A 49 7.265 20.448 -5.455 1.00 52.32 C ATOM 0 H MET A 49 8.894 21.005 -10.560 1.00 23.51 H new ATOM 0 HA MET A 49 6.479 19.813 -10.056 1.00 32.02 H new ATOM 0 HB2 MET A 49 8.618 18.842 -9.423 1.00 51.33 H new ATOM 0 HB3 MET A 49 8.933 20.142 -8.291 1.00 51.33 H new ATOM 0 HG2 MET A 49 6.413 18.984 -7.584 1.00 21.11 H new ATOM 0 HG3 MET A 49 7.537 17.668 -7.855 1.00 21.11 H new ATOM 0 HE1 MET A 49 7.081 20.373 -4.383 1.00 52.32 H new ATOM 0 HE2 MET A 49 7.825 21.360 -5.664 1.00 52.32 H new ATOM 0 HE3 MET A 49 6.313 20.477 -5.985 1.00 52.32 H new ATOM 770 N MET A 50 7.065 22.257 -7.899 1.00 13.33 N ATOM 771 CA MET A 50 6.422 23.152 -6.945 1.00 63.34 C ATOM 772 C MET A 50 5.385 24.030 -7.636 1.00 13.15 C ATOM 773 O MET A 50 4.393 24.432 -7.028 1.00 31.51 O ATOM 774 CB MET A 50 7.467 24.027 -6.251 1.00 63.11 C ATOM 775 CG MET A 50 7.993 25.154 -7.125 1.00 51.43 C ATOM 776 SD MET A 50 9.552 25.831 -6.522 1.00 41.12 S ATOM 777 CE MET A 50 9.257 25.838 -4.755 1.00 52.14 C ATOM 0 H MET A 50 8.060 22.432 -8.038 1.00 13.33 H new ATOM 0 HA MET A 50 5.915 22.542 -6.198 1.00 63.34 H new ATOM 0 HB2 MET A 50 7.030 24.452 -5.347 1.00 63.11 H new ATOM 0 HB3 MET A 50 8.303 23.401 -5.937 1.00 63.11 H new ATOM 0 HG2 MET A 50 8.130 24.786 -8.142 1.00 51.43 H new ATOM 0 HG3 MET A 50 7.250 25.950 -7.171 1.00 51.43 H new ATOM 0 HE1 MET A 50 10.013 26.450 -4.262 1.00 52.14 H new ATOM 0 HE2 MET A 50 8.268 26.250 -4.553 1.00 52.14 H new ATOM 0 HE3 MET A 50 9.310 24.818 -4.373 1.00 52.14 H new ATOM 787 N ASN A 51 5.620 24.324 -8.911 1.00 65.21 N ATOM 788 CA ASN A 51 4.706 25.156 -9.685 1.00 34.45 C ATOM 789 C ASN A 51 3.377 24.440 -9.909 1.00 20.22 C ATOM 790 O ASN A 51 2.390 25.054 -10.315 1.00 30.14 O ATOM 791 CB ASN A 51 5.334 25.523 -11.031 1.00 31.11 C ATOM 792 CG ASN A 51 5.926 26.918 -11.030 1.00 2.32 C ATOM 793 OD1 ASN A 51 5.708 27.698 -11.958 1.00 22.00 O ATOM 794 ND2 ASN A 51 6.682 27.239 -9.987 1.00 22.11 N ATOM 0 H ASN A 51 6.436 23.998 -9.430 1.00 65.21 H new ATOM 0 HA ASN A 51 4.516 26.068 -9.119 1.00 34.45 H new ATOM 0 HB2 ASN A 51 6.113 24.801 -11.275 1.00 31.11 H new ATOM 0 HB3 ASN A 51 4.578 25.452 -11.813 1.00 31.11 H new ATOM 0 HD21 ASN A 51 7.109 28.164 -9.932 1.00 22.11 H new ATOM 0 HD22 ASN A 51 6.836 26.561 -9.241 1.00 22.11 H new ATOM 801 N ILE A 52 3.359 23.138 -9.641 1.00 3.55 N ATOM 802 CA ILE A 52 2.152 22.339 -9.812 1.00 73.42 C ATOM 803 C ILE A 52 1.347 22.277 -8.519 1.00 71.13 C ATOM 804 O ILE A 52 0.116 22.293 -8.539 1.00 32.44 O ATOM 805 CB ILE A 52 2.485 20.906 -10.266 1.00 62.11 C ATOM 806 CG1 ILE A 52 3.438 20.936 -11.462 1.00 74.14 C ATOM 807 CG2 ILE A 52 1.210 20.152 -10.616 1.00 33.12 C ATOM 808 CD1 ILE A 52 3.127 22.033 -12.456 1.00 62.23 C ATOM 0 H ILE A 52 4.167 22.614 -9.305 1.00 3.55 H new ATOM 0 HA ILE A 52 1.557 22.827 -10.585 1.00 73.42 H new ATOM 0 HB ILE A 52 2.978 20.385 -9.445 1.00 62.11 H new ATOM 0 HG12 ILE A 52 4.458 21.064 -11.100 1.00 74.14 H new ATOM 0 HG13 ILE A 52 3.399 19.973 -11.972 1.00 74.14 H new ATOM 0 HG21 ILE A 52 1.461 19.141 -10.935 1.00 33.12 H new ATOM 0 HG22 ILE A 52 0.563 20.106 -9.740 1.00 33.12 H new ATOM 0 HG23 ILE A 52 0.692 20.669 -11.424 1.00 33.12 H new ATOM 0 HD11 ILE A 52 3.843 21.994 -13.277 1.00 62.23 H new ATOM 0 HD12 ILE A 52 2.119 21.895 -12.847 1.00 62.23 H new ATOM 0 HD13 ILE A 52 3.195 23.002 -11.962 1.00 62.23 H new ATOM 820 N LEU A 53 2.050 22.208 -7.393 1.00 51.45 N ATOM 821 CA LEU A 53 1.402 22.145 -6.089 1.00 74.54 C ATOM 822 C LEU A 53 1.063 23.543 -5.581 1.00 34.01 C ATOM 823 O LEU A 53 0.091 23.730 -4.849 1.00 42.22 O ATOM 824 CB LEU A 53 2.304 21.429 -5.082 1.00 74.22 C ATOM 825 CG LEU A 53 1.881 20.014 -4.689 1.00 41.43 C ATOM 826 CD1 LEU A 53 1.580 19.183 -5.927 1.00 53.22 C ATOM 827 CD2 LEU A 53 2.960 19.349 -3.847 1.00 13.23 C ATOM 0 H LEU A 53 3.069 22.194 -7.358 1.00 51.45 H new ATOM 0 HA LEU A 53 0.474 21.583 -6.199 1.00 74.54 H new ATOM 0 HB2 LEU A 53 3.312 21.384 -5.495 1.00 74.22 H new ATOM 0 HB3 LEU A 53 2.357 22.035 -4.178 1.00 74.22 H new ATOM 0 HG LEU A 53 0.972 20.080 -4.092 1.00 41.43 H new ATOM 0 HD11 LEU A 53 1.281 18.179 -5.627 1.00 53.22 H new ATOM 0 HD12 LEU A 53 0.772 19.649 -6.491 1.00 53.22 H new ATOM 0 HD13 LEU A 53 2.471 19.125 -6.552 1.00 53.22 H new ATOM 0 HD21 LEU A 53 2.642 18.342 -3.576 1.00 13.23 H new ATOM 0 HD22 LEU A 53 3.886 19.295 -4.419 1.00 13.23 H new ATOM 0 HD23 LEU A 53 3.126 19.933 -2.942 1.00 13.23 H new ATOM 839 N GLN A 54 1.870 24.522 -5.976 1.00 35.22 N ATOM 840 CA GLN A 54 1.655 25.903 -5.562 1.00 5.24 C ATOM 841 C GLN A 54 0.264 26.383 -5.965 1.00 40.02 C ATOM 842 O GLN A 54 -0.281 27.313 -5.371 1.00 11.30 O ATOM 843 CB GLN A 54 2.718 26.814 -6.176 1.00 13.40 C ATOM 844 CG GLN A 54 2.540 27.036 -7.670 1.00 75.21 C ATOM 845 CD GLN A 54 3.452 28.120 -8.212 1.00 20.35 C ATOM 846 OE1 GLN A 54 3.027 28.968 -8.997 1.00 45.45 O ATOM 847 NE2 GLN A 54 4.712 28.097 -7.795 1.00 73.44 N ATOM 0 H GLN A 54 2.679 24.384 -6.582 1.00 35.22 H new ATOM 0 HA GLN A 54 1.734 25.945 -4.476 1.00 5.24 H new ATOM 0 HB2 GLN A 54 2.695 27.778 -5.669 1.00 13.40 H new ATOM 0 HB3 GLN A 54 3.703 26.382 -5.996 1.00 13.40 H new ATOM 0 HG2 GLN A 54 2.737 26.103 -8.198 1.00 75.21 H new ATOM 0 HG3 GLN A 54 1.503 27.304 -7.873 1.00 75.21 H new ATOM 0 HE21 GLN A 54 5.021 27.375 -7.144 1.00 73.44 H new ATOM 0 HE22 GLN A 54 5.372 28.801 -8.126 1.00 73.44 H new ATOM 856 N THR A 55 -0.307 25.740 -6.980 1.00 23.53 N ATOM 857 CA THR A 55 -1.633 26.101 -7.464 1.00 24.25 C ATOM 858 C THR A 55 -2.668 26.009 -6.349 1.00 71.25 C ATOM 859 O THR A 55 -2.517 25.253 -5.389 1.00 30.33 O ATOM 860 CB THR A 55 -2.070 25.197 -8.631 1.00 54.30 C ATOM 861 OG1 THR A 55 -1.999 23.821 -8.239 1.00 42.52 O ATOM 862 CG2 THR A 55 -1.192 25.427 -9.852 1.00 51.14 C ATOM 0 H THR A 55 0.129 24.967 -7.482 1.00 23.53 H new ATOM 0 HA THR A 55 -1.572 27.131 -7.816 1.00 24.25 H new ATOM 0 HB THR A 55 -3.099 25.448 -8.890 1.00 54.30 H new ATOM 0 HG1 THR A 55 -1.084 23.492 -8.364 1.00 42.52 H new ATOM 0 HG21 THR A 55 -1.520 24.777 -10.663 1.00 51.14 H new ATOM 0 HG22 THR A 55 -1.271 26.468 -10.166 1.00 51.14 H new ATOM 0 HG23 THR A 55 -0.155 25.201 -9.602 1.00 51.14 H new ATOM 870 N PRO A 56 -3.748 26.795 -6.477 1.00 53.52 N ATOM 871 CA PRO A 56 -4.831 26.819 -5.489 1.00 12.33 C ATOM 872 C PRO A 56 -5.648 25.532 -5.493 1.00 31.34 C ATOM 873 O PRO A 56 -6.219 25.146 -4.474 1.00 43.31 O ATOM 874 CB PRO A 56 -5.694 28.001 -5.938 1.00 41.51 C ATOM 875 CG PRO A 56 -5.426 28.133 -7.397 1.00 31.12 C ATOM 876 CD PRO A 56 -3.993 27.721 -7.595 1.00 2.04 C ATOM 0 HA PRO A 56 -4.452 26.912 -4.471 1.00 12.33 H new ATOM 0 HB2 PRO A 56 -6.751 27.816 -5.745 1.00 41.51 H new ATOM 0 HB3 PRO A 56 -5.427 28.912 -5.402 1.00 41.51 H new ATOM 0 HG2 PRO A 56 -6.098 27.499 -7.976 1.00 31.12 H new ATOM 0 HG3 PRO A 56 -5.587 29.158 -7.732 1.00 31.12 H new ATOM 0 HD2 PRO A 56 -3.844 27.235 -8.559 1.00 2.04 H new ATOM 0 HD3 PRO A 56 -3.320 28.578 -7.562 1.00 2.04 H new ATOM 884 N GLN A 57 -5.698 24.871 -6.646 1.00 54.13 N ATOM 885 CA GLN A 57 -6.445 23.627 -6.781 1.00 35.45 C ATOM 886 C GLN A 57 -5.748 22.490 -6.041 1.00 15.23 C ATOM 887 O GLN A 57 -6.399 21.586 -5.517 1.00 55.15 O ATOM 888 CB GLN A 57 -6.610 23.265 -8.258 1.00 31.22 C ATOM 889 CG GLN A 57 -5.349 22.697 -8.890 1.00 70.00 C ATOM 890 CD GLN A 57 -5.346 22.820 -10.401 1.00 22.24 C ATOM 891 OE1 GLN A 57 -4.344 23.205 -11.003 1.00 74.05 O ATOM 892 NE2 GLN A 57 -6.473 22.494 -11.022 1.00 50.03 N ATOM 0 H GLN A 57 -5.230 25.177 -7.499 1.00 54.13 H new ATOM 0 HA GLN A 57 -7.430 23.774 -6.338 1.00 35.45 H new ATOM 0 HB2 GLN A 57 -7.416 22.537 -8.357 1.00 31.22 H new ATOM 0 HB3 GLN A 57 -6.914 24.155 -8.810 1.00 31.22 H new ATOM 0 HG2 GLN A 57 -4.480 23.215 -8.486 1.00 70.00 H new ATOM 0 HG3 GLN A 57 -5.251 21.647 -8.615 1.00 70.00 H new ATOM 0 HE21 GLN A 57 -7.280 22.180 -10.483 1.00 50.03 H new ATOM 0 HE22 GLN A 57 -6.532 22.558 -12.038 1.00 50.03 H new ATOM 901 N PHE A 58 -4.421 22.542 -6.002 1.00 44.33 N ATOM 902 CA PHE A 58 -3.635 21.516 -5.327 1.00 12.11 C ATOM 903 C PHE A 58 -2.897 22.098 -4.125 1.00 32.20 C ATOM 904 O PHE A 58 -1.692 21.900 -3.966 1.00 14.11 O ATOM 905 CB PHE A 58 -2.634 20.888 -6.299 1.00 65.32 C ATOM 906 CG PHE A 58 -3.271 20.342 -7.545 1.00 64.12 C ATOM 907 CD1 PHE A 58 -4.342 19.466 -7.466 1.00 14.53 C ATOM 908 CD2 PHE A 58 -2.799 20.706 -8.796 1.00 54.23 C ATOM 909 CE1 PHE A 58 -4.928 18.962 -8.611 1.00 51.05 C ATOM 910 CE2 PHE A 58 -3.383 20.206 -9.946 1.00 13.32 C ATOM 911 CZ PHE A 58 -4.450 19.333 -9.852 1.00 14.14 C ATOM 0 H PHE A 58 -3.867 23.284 -6.430 1.00 44.33 H new ATOM 0 HA PHE A 58 -4.319 20.745 -4.972 1.00 12.11 H new ATOM 0 HB2 PHE A 58 -1.892 21.636 -6.578 1.00 65.32 H new ATOM 0 HB3 PHE A 58 -2.101 20.084 -5.791 1.00 65.32 H new ATOM 0 HD1 PHE A 58 -4.723 19.174 -6.498 1.00 14.53 H new ATOM 0 HD2 PHE A 58 -1.965 21.388 -8.874 1.00 54.23 H new ATOM 0 HE1 PHE A 58 -5.760 18.278 -8.535 1.00 51.05 H new ATOM 0 HE2 PHE A 58 -3.006 20.497 -10.915 1.00 13.32 H new ATOM 0 HZ PHE A 58 -4.909 18.942 -10.748 1.00 14.14 H new ATOM 921 N THR A 59 -3.628 22.820 -3.282 1.00 4.20 N ATOM 922 CA THR A 59 -3.044 23.434 -2.096 1.00 22.31 C ATOM 923 C THR A 59 -3.091 22.484 -0.906 1.00 21.11 C ATOM 924 O THR A 59 -2.179 22.462 -0.077 1.00 21.14 O ATOM 925 CB THR A 59 -3.770 24.740 -1.724 1.00 62.34 C ATOM 926 OG1 THR A 59 -3.142 25.343 -0.587 1.00 4.22 O ATOM 927 CG2 THR A 59 -5.237 24.476 -1.419 1.00 32.12 C ATOM 0 H THR A 59 -4.626 22.994 -3.399 1.00 4.20 H new ATOM 0 HA THR A 59 -2.005 23.660 -2.337 1.00 22.31 H new ATOM 0 HB THR A 59 -3.709 25.419 -2.575 1.00 62.34 H new ATOM 0 HG1 THR A 59 -3.609 26.174 -0.358 1.00 4.22 H new ATOM 0 HG21 THR A 59 -5.729 25.413 -1.159 1.00 32.12 H new ATOM 0 HG22 THR A 59 -5.719 24.044 -2.296 1.00 32.12 H new ATOM 0 HG23 THR A 59 -5.315 23.781 -0.583 1.00 32.12 H new ATOM 935 N LYS A 60 -4.158 21.696 -0.824 1.00 35.52 N ATOM 936 CA LYS A 60 -4.323 20.740 0.264 1.00 52.53 C ATOM 937 C LYS A 60 -3.420 19.526 0.065 1.00 41.24 C ATOM 938 O LYS A 60 -3.204 18.743 0.989 1.00 22.22 O ATOM 939 CB LYS A 60 -5.783 20.293 0.360 1.00 75.42 C ATOM 940 CG LYS A 60 -6.342 19.754 -0.946 1.00 41.34 C ATOM 941 CD LYS A 60 -7.792 19.325 -0.798 1.00 60.34 C ATOM 942 CE LYS A 60 -8.640 19.819 -1.959 1.00 4.52 C ATOM 943 NZ LYS A 60 -9.980 19.171 -1.983 1.00 64.02 N ATOM 0 H LYS A 60 -4.922 21.701 -1.499 1.00 35.52 H new ATOM 0 HA LYS A 60 -4.038 21.233 1.193 1.00 52.53 H new ATOM 0 HB2 LYS A 60 -5.869 19.523 1.127 1.00 75.42 H new ATOM 0 HB3 LYS A 60 -6.392 21.137 0.685 1.00 75.42 H new ATOM 0 HG2 LYS A 60 -6.265 20.519 -1.719 1.00 41.34 H new ATOM 0 HG3 LYS A 60 -5.743 18.906 -1.277 1.00 41.34 H new ATOM 0 HD2 LYS A 60 -7.847 18.238 -0.742 1.00 60.34 H new ATOM 0 HD3 LYS A 60 -8.194 19.713 0.138 1.00 60.34 H new ATOM 0 HE2 LYS A 60 -8.761 20.900 -1.886 1.00 4.52 H new ATOM 0 HE3 LYS A 60 -8.123 19.618 -2.897 1.00 4.52 H new ATOM 0 HZ1 LYS A 60 -10.616 19.712 -2.602 1.00 64.02 H new ATOM 0 HZ2 LYS A 60 -9.890 18.200 -2.344 1.00 64.02 H new ATOM 0 HZ3 LYS A 60 -10.372 19.148 -1.020 1.00 64.02 H new ATOM 957 N TYR A 61 -2.896 19.379 -1.146 1.00 14.05 N ATOM 958 CA TYR A 61 -2.018 18.259 -1.467 1.00 71.14 C ATOM 959 C TYR A 61 -0.583 18.735 -1.678 1.00 30.13 C ATOM 960 O TYR A 61 -0.016 18.578 -2.760 1.00 60.54 O ATOM 961 CB TYR A 61 -2.515 17.535 -2.719 1.00 71.25 C ATOM 962 CG TYR A 61 -4.022 17.438 -2.803 1.00 2.03 C ATOM 963 CD1 TYR A 61 -4.728 16.560 -1.989 1.00 2.40 C ATOM 964 CD2 TYR A 61 -4.739 18.223 -3.697 1.00 71.04 C ATOM 965 CE1 TYR A 61 -6.104 16.467 -2.064 1.00 73.23 C ATOM 966 CE2 TYR A 61 -6.116 18.138 -3.776 1.00 44.31 C ATOM 967 CZ TYR A 61 -6.794 17.259 -2.958 1.00 4.15 C ATOM 968 OH TYR A 61 -8.165 17.170 -3.035 1.00 1.43 O ATOM 0 H TYR A 61 -3.063 20.020 -1.921 1.00 14.05 H new ATOM 0 HA TYR A 61 -2.033 17.567 -0.625 1.00 71.14 H new ATOM 0 HB2 TYR A 61 -2.143 18.055 -3.602 1.00 71.25 H new ATOM 0 HB3 TYR A 61 -2.093 16.530 -2.740 1.00 71.25 H new ATOM 0 HD1 TYR A 61 -4.192 15.940 -1.286 1.00 2.40 H new ATOM 0 HD2 TYR A 61 -4.212 18.911 -4.341 1.00 71.04 H new ATOM 0 HE1 TYR A 61 -6.637 15.778 -1.426 1.00 73.23 H new ATOM 0 HE2 TYR A 61 -6.659 18.757 -4.475 1.00 44.31 H new ATOM 0 HH TYR A 61 -8.507 16.694 -2.249 1.00 1.43 H new ATOM 978 N THR A 62 -0.002 19.321 -0.636 1.00 71.44 N ATOM 979 CA THR A 62 1.366 19.820 -0.704 1.00 10.10 C ATOM 980 C THR A 62 2.351 18.808 -0.132 1.00 71.52 C ATOM 981 O THR A 62 3.200 18.278 -0.850 1.00 70.23 O ATOM 982 CB THR A 62 1.515 21.152 0.055 1.00 54.41 C ATOM 983 OG1 THR A 62 0.227 21.646 0.438 1.00 54.14 O ATOM 984 CG2 THR A 62 2.225 22.188 -0.803 1.00 32.11 C ATOM 0 H THR A 62 -0.458 19.462 0.266 1.00 71.44 H new ATOM 0 HA THR A 62 1.591 19.983 -1.758 1.00 10.10 H new ATOM 0 HB THR A 62 2.114 20.970 0.947 1.00 54.41 H new ATOM 0 HG1 THR A 62 -0.319 21.790 -0.363 1.00 54.14 H new ATOM 0 HG21 THR A 62 2.318 23.120 -0.245 1.00 32.11 H new ATOM 0 HG22 THR A 62 3.217 21.823 -1.068 1.00 32.11 H new ATOM 0 HG23 THR A 62 1.649 22.365 -1.711 1.00 32.11 H new ATOM 992 N LEU A 63 2.234 18.544 1.165 1.00 70.40 N ATOM 993 CA LEU A 63 3.115 17.593 1.834 1.00 22.45 C ATOM 994 C LEU A 63 2.349 16.342 2.253 1.00 21.32 C ATOM 995 O LEU A 63 2.926 15.404 2.803 1.00 24.35 O ATOM 996 CB LEU A 63 3.763 18.242 3.058 1.00 14.53 C ATOM 997 CG LEU A 63 3.012 18.082 4.380 1.00 33.33 C ATOM 998 CD1 LEU A 63 3.578 16.918 5.178 1.00 44.54 C ATOM 999 CD2 LEU A 63 3.075 19.368 5.190 1.00 34.14 C ATOM 0 H LEU A 63 1.538 18.975 1.774 1.00 70.40 H new ATOM 0 HA LEU A 63 3.894 17.300 1.130 1.00 22.45 H new ATOM 0 HB2 LEU A 63 4.763 17.825 3.179 1.00 14.53 H new ATOM 0 HB3 LEU A 63 3.884 19.307 2.858 1.00 14.53 H new ATOM 0 HG LEU A 63 1.966 17.869 4.157 1.00 33.33 H new ATOM 0 HD11 LEU A 63 3.031 16.820 6.116 1.00 44.54 H new ATOM 0 HD12 LEU A 63 3.478 15.999 4.601 1.00 44.54 H new ATOM 0 HD13 LEU A 63 4.632 17.100 5.390 1.00 44.54 H new ATOM 0 HD21 LEU A 63 2.535 19.234 6.127 1.00 34.14 H new ATOM 0 HD22 LEU A 63 4.116 19.614 5.403 1.00 34.14 H new ATOM 0 HD23 LEU A 63 2.620 20.179 4.621 1.00 34.14 H new ATOM 1011 N TRP A 64 1.047 16.336 1.989 1.00 4.53 N ATOM 1012 CA TRP A 64 0.202 15.199 2.337 1.00 50.12 C ATOM 1013 C TRP A 64 0.795 13.898 1.809 1.00 52.11 C ATOM 1014 O TRP A 64 0.552 12.824 2.361 1.00 52.14 O ATOM 1015 CB TRP A 64 -1.207 15.396 1.777 1.00 45.11 C ATOM 1016 CG TRP A 64 -1.459 14.627 0.516 1.00 5.32 C ATOM 1017 CD1 TRP A 64 -2.286 13.551 0.361 1.00 25.31 C ATOM 1018 CD2 TRP A 64 -0.874 14.873 -0.768 1.00 40.31 C ATOM 1019 NE1 TRP A 64 -2.252 13.115 -0.941 1.00 23.33 N ATOM 1020 CE2 TRP A 64 -1.394 13.910 -1.654 1.00 24.22 C ATOM 1021 CE3 TRP A 64 0.036 15.816 -1.256 1.00 53.41 C ATOM 1022 CZ2 TRP A 64 -1.033 13.863 -2.998 1.00 70.32 C ATOM 1023 CZ3 TRP A 64 0.393 15.768 -2.590 1.00 55.11 C ATOM 1024 CH2 TRP A 64 -0.140 14.798 -3.449 1.00 13.15 C ATOM 0 H TRP A 64 0.554 17.105 1.535 1.00 4.53 H new ATOM 0 HA TRP A 64 0.149 15.136 3.424 1.00 50.12 H new ATOM 0 HB2 TRP A 64 -1.935 15.093 2.530 1.00 45.11 H new ATOM 0 HB3 TRP A 64 -1.369 16.457 1.585 1.00 45.11 H new ATOM 0 HD1 TRP A 64 -2.880 13.108 1.147 1.00 25.31 H new ATOM 0 HE1 TRP A 64 -2.780 12.327 -1.316 1.00 23.33 H new ATOM 0 HE3 TRP A 64 0.452 16.568 -0.602 1.00 53.41 H new ATOM 0 HZ2 TRP A 64 -1.443 13.116 -3.661 1.00 70.32 H new ATOM 0 HZ3 TRP A 64 1.095 16.491 -2.977 1.00 55.11 H new ATOM 0 HH2 TRP A 64 0.159 14.787 -4.487 1.00 13.15 H new ATOM 1035 N PHE A 65 1.575 14.000 0.738 1.00 21.42 N ATOM 1036 CA PHE A 65 2.202 12.830 0.135 1.00 54.41 C ATOM 1037 C PHE A 65 3.722 12.967 0.135 1.00 55.14 C ATOM 1038 O PHE A 65 4.446 11.974 0.199 1.00 43.01 O ATOM 1039 CB PHE A 65 1.697 12.634 -1.296 1.00 0.51 C ATOM 1040 CG PHE A 65 0.794 11.444 -1.455 1.00 35.13 C ATOM 1041 CD1 PHE A 65 -0.112 11.107 -0.462 1.00 1.23 C ATOM 1042 CD2 PHE A 65 0.853 10.662 -2.597 1.00 72.04 C ATOM 1043 CE1 PHE A 65 -0.944 10.013 -0.605 1.00 74.41 C ATOM 1044 CE2 PHE A 65 0.022 9.567 -2.746 1.00 63.43 C ATOM 1045 CZ PHE A 65 -0.876 9.241 -1.749 1.00 12.20 C ATOM 0 H PHE A 65 1.788 14.881 0.270 1.00 21.42 H new ATOM 0 HA PHE A 65 1.933 11.958 0.730 1.00 54.41 H new ATOM 0 HB2 PHE A 65 1.162 13.530 -1.610 1.00 0.51 H new ATOM 0 HB3 PHE A 65 2.552 12.523 -1.963 1.00 0.51 H new ATOM 0 HD1 PHE A 65 -0.168 11.707 0.434 1.00 1.23 H new ATOM 0 HD2 PHE A 65 1.555 10.910 -3.379 1.00 72.04 H new ATOM 0 HE1 PHE A 65 -1.646 9.762 0.176 1.00 74.41 H new ATOM 0 HE2 PHE A 65 0.075 8.967 -3.642 1.00 63.43 H new ATOM 0 HZ PHE A 65 -1.524 8.384 -1.863 1.00 12.20 H new ATOM 1055 N MET A 66 4.199 14.206 0.063 1.00 21.31 N ATOM 1056 CA MET A 66 5.632 14.474 0.055 1.00 54.24 C ATOM 1057 C MET A 66 6.321 13.781 1.226 1.00 62.12 C ATOM 1058 O MET A 66 7.486 13.391 1.132 1.00 43.23 O ATOM 1059 CB MET A 66 5.892 15.981 0.116 1.00 0.42 C ATOM 1060 CG MET A 66 7.113 16.419 -0.675 1.00 60.21 C ATOM 1061 SD MET A 66 8.175 17.542 0.254 1.00 74.33 S ATOM 1062 CE MET A 66 8.935 16.407 1.412 1.00 12.21 C ATOM 0 H MET A 66 3.614 15.040 0.009 1.00 21.31 H new ATOM 0 HA MET A 66 6.044 14.079 -0.873 1.00 54.24 H new ATOM 0 HB2 MET A 66 5.016 16.508 -0.262 1.00 0.42 H new ATOM 0 HB3 MET A 66 6.018 16.278 1.157 1.00 0.42 H new ATOM 0 HG2 MET A 66 7.687 15.540 -0.966 1.00 60.21 H new ATOM 0 HG3 MET A 66 6.790 16.908 -1.594 1.00 60.21 H new ATOM 0 HE1 MET A 66 8.637 16.669 2.427 1.00 12.21 H new ATOM 0 HE2 MET A 66 8.612 15.390 1.190 1.00 12.21 H new ATOM 0 HE3 MET A 66 10.020 16.470 1.325 1.00 12.21 H new ATOM 1072 N THR A 67 5.595 13.628 2.329 1.00 35.53 N ATOM 1073 CA THR A 67 6.137 12.982 3.518 1.00 25.30 C ATOM 1074 C THR A 67 5.120 12.033 4.140 1.00 54.02 C ATOM 1075 O THR A 67 5.323 11.526 5.241 1.00 4.44 O ATOM 1076 CB THR A 67 6.568 14.019 4.573 1.00 34.44 C ATOM 1077 OG1 THR A 67 7.236 15.115 3.939 1.00 54.41 O ATOM 1078 CG2 THR A 67 7.486 13.388 5.608 1.00 3.14 C ATOM 0 H THR A 67 4.629 13.943 2.424 1.00 35.53 H new ATOM 0 HA THR A 67 7.011 12.414 3.199 1.00 25.30 H new ATOM 0 HB THR A 67 5.674 14.384 5.078 1.00 34.44 H new ATOM 0 HG1 THR A 67 7.505 15.770 4.616 1.00 54.41 H new ATOM 0 HG21 THR A 67 7.777 14.139 6.342 1.00 3.14 H new ATOM 0 HG22 THR A 67 6.963 12.574 6.110 1.00 3.14 H new ATOM 0 HG23 THR A 67 8.377 12.998 5.115 1.00 3.14 H new ATOM 1086 N ASN A 68 4.024 11.796 3.426 1.00 30.33 N ATOM 1087 CA ASN A 68 2.973 10.907 3.909 1.00 74.32 C ATOM 1088 C ASN A 68 2.378 11.428 5.214 1.00 52.13 C ATOM 1089 O ASN A 68 2.061 10.652 6.115 1.00 64.53 O ATOM 1090 CB ASN A 68 3.527 9.496 4.114 1.00 33.53 C ATOM 1091 CG ASN A 68 2.431 8.471 4.329 1.00 60.54 C ATOM 1092 OD1 ASN A 68 1.404 8.493 3.651 1.00 41.20 O ATOM 1093 ND2 ASN A 68 2.644 7.564 5.276 1.00 22.32 N ATOM 0 H ASN A 68 3.841 12.207 2.511 1.00 30.33 H new ATOM 0 HA ASN A 68 2.183 10.875 3.159 1.00 74.32 H new ATOM 0 HB2 ASN A 68 4.121 9.212 3.245 1.00 33.53 H new ATOM 0 HB3 ASN A 68 4.197 9.493 4.973 1.00 33.53 H new ATOM 0 HD21 ASN A 68 1.941 6.849 5.465 1.00 22.32 H new ATOM 0 HD22 ASN A 68 3.510 7.583 5.814 1.00 22.32 H new ATOM 1100 N GLN A 69 2.227 12.745 5.306 1.00 44.34 N ATOM 1101 CA GLN A 69 1.669 13.368 6.500 1.00 22.34 C ATOM 1102 C GLN A 69 0.571 14.359 6.133 1.00 11.24 C ATOM 1103 O GLN A 69 0.843 15.427 5.584 1.00 12.43 O ATOM 1104 CB GLN A 69 2.770 14.077 7.292 1.00 24.40 C ATOM 1105 CG GLN A 69 2.271 14.739 8.566 1.00 53.41 C ATOM 1106 CD GLN A 69 2.171 13.770 9.727 1.00 3.24 C ATOM 1107 OE1 GLN A 69 3.176 13.421 10.348 1.00 30.13 O ATOM 1108 NE2 GLN A 69 0.956 13.328 10.027 1.00 3.22 N ATOM 0 H GLN A 69 2.483 13.401 4.568 1.00 44.34 H new ATOM 0 HA GLN A 69 1.233 12.584 7.119 1.00 22.34 H new ATOM 0 HB2 GLN A 69 3.545 13.355 7.547 1.00 24.40 H new ATOM 0 HB3 GLN A 69 3.234 14.832 6.657 1.00 24.40 H new ATOM 0 HG2 GLN A 69 2.943 15.554 8.835 1.00 53.41 H new ATOM 0 HG3 GLN A 69 1.292 15.181 8.382 1.00 53.41 H new ATOM 0 HE21 GLN A 69 0.151 13.643 9.486 1.00 3.22 H new ATOM 0 HE22 GLN A 69 0.828 12.673 10.798 1.00 3.22 H new ATOM 1117 N ILE A 70 -0.671 13.999 6.441 1.00 53.02 N ATOM 1118 CA ILE A 70 -1.810 14.858 6.145 1.00 1.12 C ATOM 1119 C ILE A 70 -1.987 15.928 7.217 1.00 5.32 C ATOM 1120 O ILE A 70 -2.103 15.619 8.402 1.00 35.42 O ATOM 1121 CB ILE A 70 -3.113 14.046 6.027 1.00 22.12 C ATOM 1122 CG1 ILE A 70 -3.365 13.255 7.313 1.00 23.30 C ATOM 1123 CG2 ILE A 70 -3.047 13.110 4.829 1.00 74.23 C ATOM 1124 CD1 ILE A 70 -4.604 13.696 8.061 1.00 41.24 C ATOM 0 H ILE A 70 -0.913 13.118 6.895 1.00 53.02 H new ATOM 0 HA ILE A 70 -1.602 15.337 5.188 1.00 1.12 H new ATOM 0 HB ILE A 70 -3.942 14.738 5.879 1.00 22.12 H new ATOM 0 HG12 ILE A 70 -3.456 12.197 7.067 1.00 23.30 H new ATOM 0 HG13 ILE A 70 -2.500 13.357 7.968 1.00 23.30 H new ATOM 0 HG21 ILE A 70 -3.975 12.543 4.759 1.00 74.23 H new ATOM 0 HG22 ILE A 70 -2.908 13.693 3.919 1.00 74.23 H new ATOM 0 HG23 ILE A 70 -2.210 12.422 4.950 1.00 74.23 H new ATOM 0 HD11 ILE A 70 -4.720 13.092 8.961 1.00 41.24 H new ATOM 0 HD12 ILE A 70 -4.507 14.746 8.338 1.00 41.24 H new ATOM 0 HD13 ILE A 70 -5.479 13.568 7.423 1.00 41.24 H new ATOM 1136 N ALA A 71 -2.007 17.187 6.792 1.00 53.21 N ATOM 1137 CA ALA A 71 -2.173 18.302 7.716 1.00 71.32 C ATOM 1138 C ALA A 71 -3.511 19.000 7.498 1.00 23.44 C ATOM 1139 O ALA A 71 -3.587 20.083 6.918 1.00 55.01 O ATOM 1140 CB ALA A 71 -1.028 19.292 7.559 1.00 72.44 C ATOM 0 H ALA A 71 -1.910 17.460 5.814 1.00 53.21 H new ATOM 0 HA ALA A 71 -2.160 17.906 8.731 1.00 71.32 H new ATOM 0 HB1 ALA A 71 -1.165 20.120 8.255 1.00 72.44 H new ATOM 0 HB2 ALA A 71 -0.083 18.792 7.771 1.00 72.44 H new ATOM 0 HB3 ALA A 71 -1.015 19.675 6.538 1.00 72.44 H new ATOM 1146 N PRO A 72 -4.594 18.367 7.973 1.00 32.32 N ATOM 1147 CA PRO A 72 -5.950 18.909 7.842 1.00 40.23 C ATOM 1148 C PRO A 72 -6.167 20.141 8.713 1.00 33.14 C ATOM 1149 O PRO A 72 -7.031 20.970 8.426 1.00 11.03 O ATOM 1150 CB PRO A 72 -6.840 17.757 8.314 1.00 14.40 C ATOM 1151 CG PRO A 72 -5.973 16.957 9.224 1.00 21.53 C ATOM 1152 CD PRO A 72 -4.578 17.073 8.676 1.00 55.43 C ATOM 0 HA PRO A 72 -6.161 19.239 6.825 1.00 40.23 H new ATOM 0 HB2 PRO A 72 -7.724 18.127 8.833 1.00 14.40 H new ATOM 0 HB3 PRO A 72 -7.191 17.158 7.474 1.00 14.40 H new ATOM 0 HG2 PRO A 72 -6.024 17.336 10.245 1.00 21.53 H new ATOM 0 HG3 PRO A 72 -6.295 15.916 9.254 1.00 21.53 H new ATOM 0 HD2 PRO A 72 -3.832 17.056 9.470 1.00 55.43 H new ATOM 0 HD3 PRO A 72 -4.342 16.251 8.000 1.00 55.43 H new ATOM 1160 N GLU A 73 -5.378 20.256 9.776 1.00 23.32 N ATOM 1161 CA GLU A 73 -5.487 21.388 10.690 1.00 5.13 C ATOM 1162 C GLU A 73 -5.378 22.710 9.932 1.00 20.24 C ATOM 1163 O GLU A 73 -5.932 23.725 10.352 1.00 42.23 O ATOM 1164 CB GLU A 73 -4.400 21.312 11.763 1.00 31.42 C ATOM 1165 CG GLU A 73 -4.848 20.611 13.034 1.00 1.34 C ATOM 1166 CD GLU A 73 -5.923 21.380 13.777 1.00 12.40 C ATOM 1167 OE1 GLU A 73 -5.875 22.627 13.766 1.00 50.44 O ATOM 1168 OE2 GLU A 73 -6.813 20.733 14.369 1.00 62.13 O ATOM 0 H GLU A 73 -4.656 19.580 10.026 1.00 23.32 H new ATOM 0 HA GLU A 73 -6.464 21.343 11.170 1.00 5.13 H new ATOM 0 HB2 GLU A 73 -3.535 20.789 11.355 1.00 31.42 H new ATOM 0 HB3 GLU A 73 -4.074 22.322 12.011 1.00 31.42 H new ATOM 0 HG2 GLU A 73 -5.224 19.619 12.784 1.00 1.34 H new ATOM 0 HG3 GLU A 73 -3.988 20.471 13.689 1.00 1.34 H new ATOM 1175 N SER A 74 -4.658 22.687 8.815 1.00 3.44 N ATOM 1176 CA SER A 74 -4.472 23.883 8.002 1.00 51.31 C ATOM 1177 C SER A 74 -5.270 23.788 6.705 1.00 0.10 C ATOM 1178 O SER A 74 -5.645 24.801 6.118 1.00 72.23 O ATOM 1179 CB SER A 74 -2.989 24.085 7.686 1.00 74.54 C ATOM 1180 OG SER A 74 -2.246 24.333 8.867 1.00 24.41 O ATOM 0 H SER A 74 -4.194 21.854 8.453 1.00 3.44 H new ATOM 0 HA SER A 74 -4.836 24.739 8.571 1.00 51.31 H new ATOM 0 HB2 SER A 74 -2.597 23.200 7.185 1.00 74.54 H new ATOM 0 HB3 SER A 74 -2.871 24.921 6.996 1.00 74.54 H new ATOM 0 HG SER A 74 -1.812 25.209 8.802 1.00 24.41 H new ATOM 1186 N GLY A 75 -5.528 22.559 6.265 1.00 44.22 N ATOM 1187 CA GLY A 75 -6.280 22.353 5.041 1.00 41.33 C ATOM 1188 C GLY A 75 -5.540 21.480 4.046 1.00 61.32 C ATOM 1189 O GLY A 75 -5.543 21.758 2.847 1.00 21.02 O ATOM 0 H GLY A 75 -5.230 21.704 6.734 1.00 44.22 H new ATOM 0 HA2 GLY A 75 -7.239 21.893 5.280 1.00 41.33 H new ATOM 0 HA3 GLY A 75 -6.495 23.319 4.583 1.00 41.33 H new ATOM 1193 N GLN A 76 -4.904 20.425 4.544 1.00 43.44 N ATOM 1194 CA GLN A 76 -4.155 19.511 3.690 1.00 71.34 C ATOM 1195 C GLN A 76 -4.536 18.063 3.977 1.00 22.20 C ATOM 1196 O GLN A 76 -4.266 17.543 5.060 1.00 15.14 O ATOM 1197 CB GLN A 76 -2.651 19.706 3.894 1.00 1.44 C ATOM 1198 CG GLN A 76 -2.064 20.832 3.057 1.00 0.22 C ATOM 1199 CD GLN A 76 -2.565 22.198 3.483 1.00 70.30 C ATOM 1200 OE1 GLN A 76 -2.963 22.396 4.631 1.00 4.14 O ATOM 1201 NE2 GLN A 76 -2.548 23.149 2.557 1.00 55.24 N ATOM 0 H GLN A 76 -4.892 20.182 5.535 1.00 43.44 H new ATOM 0 HA GLN A 76 -4.406 19.734 2.653 1.00 71.34 H new ATOM 0 HB2 GLN A 76 -2.459 19.910 4.947 1.00 1.44 H new ATOM 0 HB3 GLN A 76 -2.136 18.777 3.650 1.00 1.44 H new ATOM 0 HG2 GLN A 76 -0.977 20.808 3.134 1.00 0.22 H new ATOM 0 HG3 GLN A 76 -2.313 20.668 2.009 1.00 0.22 H new ATOM 0 HE21 GLN A 76 -2.210 22.940 1.618 1.00 55.24 H new ATOM 0 HE22 GLN A 76 -2.873 24.088 2.785 1.00 55.24 H new ATOM 1210 N ILE A 77 -5.162 17.417 3.000 1.00 35.21 N ATOM 1211 CA ILE A 77 -5.579 16.027 3.147 1.00 50.55 C ATOM 1212 C ILE A 77 -5.436 15.269 1.832 1.00 25.22 C ATOM 1213 O ILE A 77 -5.143 15.858 0.792 1.00 5.00 O ATOM 1214 CB ILE A 77 -7.037 15.926 3.630 1.00 45.42 C ATOM 1215 CG1 ILE A 77 -8.001 16.170 2.466 1.00 11.52 C ATOM 1216 CG2 ILE A 77 -7.293 16.918 4.754 1.00 62.31 C ATOM 1217 CD1 ILE A 77 -7.831 17.525 1.816 1.00 65.21 C ATOM 0 H ILE A 77 -5.392 17.833 2.098 1.00 35.21 H new ATOM 0 HA ILE A 77 -4.926 15.578 3.895 1.00 50.55 H new ATOM 0 HB ILE A 77 -7.208 14.920 4.014 1.00 45.42 H new ATOM 0 HG12 ILE A 77 -7.854 15.394 1.714 1.00 11.52 H new ATOM 0 HG13 ILE A 77 -9.025 16.075 2.827 1.00 11.52 H new ATOM 0 HG21 ILE A 77 -8.328 16.834 5.084 1.00 62.31 H new ATOM 0 HG22 ILE A 77 -6.627 16.701 5.589 1.00 62.31 H new ATOM 0 HG23 ILE A 77 -7.108 17.930 4.395 1.00 62.31 H new ATOM 0 HD11 ILE A 77 -8.546 17.629 1.000 1.00 65.21 H new ATOM 0 HD12 ILE A 77 -8.007 18.307 2.554 1.00 65.21 H new ATOM 0 HD13 ILE A 77 -6.818 17.616 1.425 1.00 65.21 H new ATOM 1229 N ALA A 78 -5.647 13.958 1.886 1.00 44.32 N ATOM 1230 CA ALA A 78 -5.546 13.118 0.699 1.00 35.42 C ATOM 1231 C ALA A 78 -6.884 13.031 -0.028 1.00 61.12 C ATOM 1232 O ALA A 78 -7.951 13.004 0.587 1.00 40.31 O ATOM 1233 CB ALA A 78 -5.056 11.727 1.076 1.00 72.54 C ATOM 0 H ALA A 78 -5.889 13.455 2.739 1.00 44.32 H new ATOM 0 HA ALA A 78 -4.824 13.574 0.022 1.00 35.42 H new ATOM 0 HB1 ALA A 78 -4.985 11.111 0.180 1.00 72.54 H new ATOM 0 HB2 ALA A 78 -4.074 11.801 1.543 1.00 72.54 H new ATOM 0 HB3 ALA A 78 -5.757 11.271 1.775 1.00 72.54 H new ATOM 1239 N PRO A 79 -6.829 12.987 -1.367 1.00 45.11 N ATOM 1240 CA PRO A 79 -8.029 12.903 -2.206 1.00 73.10 C ATOM 1241 C PRO A 79 -8.721 11.549 -2.092 1.00 74.34 C ATOM 1242 O PRO A 79 -8.390 10.742 -1.224 1.00 72.43 O ATOM 1243 CB PRO A 79 -7.486 13.108 -3.623 1.00 3.43 C ATOM 1244 CG PRO A 79 -6.064 12.669 -3.551 1.00 4.55 C ATOM 1245 CD PRO A 79 -5.592 13.016 -2.166 1.00 54.14 C ATOM 0 HA PRO A 79 -8.783 13.634 -1.914 1.00 73.10 H new ATOM 0 HB2 PRO A 79 -8.046 12.520 -4.350 1.00 3.43 H new ATOM 0 HB3 PRO A 79 -7.563 14.151 -3.930 1.00 3.43 H new ATOM 0 HG2 PRO A 79 -5.976 11.598 -3.736 1.00 4.55 H new ATOM 0 HG3 PRO A 79 -5.461 13.173 -4.306 1.00 4.55 H new ATOM 0 HD2 PRO A 79 -4.860 12.297 -1.799 1.00 54.14 H new ATOM 0 HD3 PRO A 79 -5.118 13.997 -2.137 1.00 54.14 H new ATOM 1253 N ALA A 80 -9.685 11.307 -2.974 1.00 1.11 N ATOM 1254 CA ALA A 80 -10.423 10.050 -2.974 1.00 34.34 C ATOM 1255 C ALA A 80 -9.724 9.003 -3.835 1.00 51.31 C ATOM 1256 O ALA A 80 -9.933 7.802 -3.660 1.00 70.35 O ATOM 1257 CB ALA A 80 -11.846 10.273 -3.464 1.00 63.50 C ATOM 0 H ALA A 80 -9.973 11.965 -3.698 1.00 1.11 H new ATOM 0 HA ALA A 80 -10.457 9.678 -1.950 1.00 34.34 H new ATOM 0 HB1 ALA A 80 -12.385 9.326 -3.459 1.00 63.50 H new ATOM 0 HB2 ALA A 80 -12.350 10.981 -2.807 1.00 63.50 H new ATOM 0 HB3 ALA A 80 -11.823 10.672 -4.478 1.00 63.50 H new ATOM 1263 N LEU A 81 -8.894 9.465 -4.764 1.00 5.22 N ATOM 1264 CA LEU A 81 -8.164 8.568 -5.653 1.00 2.43 C ATOM 1265 C LEU A 81 -6.815 8.186 -5.051 1.00 54.42 C ATOM 1266 O LEU A 81 -6.229 7.167 -5.416 1.00 41.41 O ATOM 1267 CB LEU A 81 -7.959 9.226 -7.017 1.00 34.21 C ATOM 1268 CG LEU A 81 -9.148 9.163 -7.977 1.00 32.21 C ATOM 1269 CD1 LEU A 81 -9.353 10.506 -8.662 1.00 11.43 C ATOM 1270 CD2 LEU A 81 -8.943 8.062 -9.009 1.00 41.44 C ATOM 0 H LEU A 81 -8.710 10.456 -4.921 1.00 5.22 H new ATOM 0 HA LEU A 81 -8.755 7.661 -5.780 1.00 2.43 H new ATOM 0 HB2 LEU A 81 -7.701 10.273 -6.858 1.00 34.21 H new ATOM 0 HB3 LEU A 81 -7.102 8.756 -7.500 1.00 34.21 H new ATOM 0 HG LEU A 81 -10.044 8.931 -7.401 1.00 32.21 H new ATOM 0 HD11 LEU A 81 -10.203 10.442 -9.341 1.00 11.43 H new ATOM 0 HD12 LEU A 81 -9.546 11.272 -7.911 1.00 11.43 H new ATOM 0 HD13 LEU A 81 -8.457 10.767 -9.225 1.00 11.43 H new ATOM 0 HD21 LEU A 81 -9.799 8.032 -9.684 1.00 41.44 H new ATOM 0 HD22 LEU A 81 -8.037 8.263 -9.581 1.00 41.44 H new ATOM 0 HD23 LEU A 81 -8.846 7.102 -8.502 1.00 41.44 H new ATOM 1282 N ALA A 82 -6.330 9.009 -4.129 1.00 61.40 N ATOM 1283 CA ALA A 82 -5.052 8.756 -3.474 1.00 42.42 C ATOM 1284 C ALA A 82 -4.971 7.319 -2.967 1.00 41.25 C ATOM 1285 O ALA A 82 -3.971 6.632 -3.176 1.00 1.31 O ATOM 1286 CB ALA A 82 -4.842 9.735 -2.330 1.00 60.33 C ATOM 0 H ALA A 82 -6.802 9.858 -3.818 1.00 61.40 H new ATOM 0 HA ALA A 82 -4.260 8.900 -4.209 1.00 42.42 H new ATOM 0 HB1 ALA A 82 -3.884 9.534 -1.850 1.00 60.33 H new ATOM 0 HB2 ALA A 82 -4.847 10.754 -2.717 1.00 60.33 H new ATOM 0 HB3 ALA A 82 -5.644 9.620 -1.601 1.00 60.33 H new ATOM 1292 N HIS A 83 -6.029 6.873 -2.297 1.00 52.44 N ATOM 1293 CA HIS A 83 -6.077 5.519 -1.760 1.00 62.14 C ATOM 1294 C HIS A 83 -4.994 5.314 -0.704 1.00 43.04 C ATOM 1295 O HIS A 83 -4.503 4.202 -0.512 1.00 74.24 O ATOM 1296 CB HIS A 83 -5.910 4.494 -2.883 1.00 52.01 C ATOM 1297 CG HIS A 83 -6.838 3.324 -2.768 1.00 71.45 C ATOM 1298 ND1 HIS A 83 -6.692 2.339 -1.814 1.00 72.31 N ATOM 1299 CD2 HIS A 83 -7.928 2.984 -3.494 1.00 33.10 C ATOM 1300 CE1 HIS A 83 -7.652 1.443 -1.959 1.00 41.15 C ATOM 1301 NE2 HIS A 83 -8.416 1.811 -2.971 1.00 35.44 N ATOM 0 H HIS A 83 -6.864 7.430 -2.113 1.00 52.44 H new ATOM 0 HA HIS A 83 -7.050 5.377 -1.290 1.00 62.14 H new ATOM 0 HB2 HIS A 83 -6.076 4.986 -3.841 1.00 52.01 H new ATOM 0 HB3 HIS A 83 -4.882 4.133 -2.884 1.00 52.01 H new ATOM 0 HD2 HIS A 83 -8.338 3.533 -4.329 1.00 33.10 H new ATOM 0 HE1 HIS A 83 -7.789 0.560 -1.353 1.00 41.15 H new ATOM 0 HE2 HIS A 83 -9.235 1.306 -3.309 1.00 35.44 H new ATOM 1309 N PHE A 84 -4.626 6.395 -0.024 1.00 61.54 N ATOM 1310 CA PHE A 84 -3.600 6.335 1.011 1.00 21.02 C ATOM 1311 C PHE A 84 -4.120 6.905 2.327 1.00 45.34 C ATOM 1312 O PHE A 84 -4.356 6.170 3.285 1.00 11.55 O ATOM 1313 CB PHE A 84 -2.352 7.101 0.566 1.00 72.42 C ATOM 1314 CG PHE A 84 -1.141 6.229 0.398 1.00 14.02 C ATOM 1315 CD1 PHE A 84 -1.101 5.261 -0.593 1.00 20.34 C ATOM 1316 CD2 PHE A 84 -0.043 6.377 1.230 1.00 43.32 C ATOM 1317 CE1 PHE A 84 0.012 4.457 -0.751 1.00 14.32 C ATOM 1318 CE2 PHE A 84 1.072 5.577 1.077 1.00 15.34 C ATOM 1319 CZ PHE A 84 1.100 4.614 0.085 1.00 4.42 C ATOM 0 H PHE A 84 -5.023 7.323 -0.171 1.00 61.54 H new ATOM 0 HA PHE A 84 -3.338 5.289 1.168 1.00 21.02 H new ATOM 0 HB2 PHE A 84 -2.562 7.604 -0.378 1.00 72.42 H new ATOM 0 HB3 PHE A 84 -2.132 7.878 1.299 1.00 72.42 H new ATOM 0 HD1 PHE A 84 -1.949 5.133 -1.249 1.00 20.34 H new ATOM 0 HD2 PHE A 84 -0.059 7.127 2.007 1.00 43.32 H new ATOM 0 HE1 PHE A 84 0.031 3.707 -1.528 1.00 14.32 H new ATOM 0 HE2 PHE A 84 1.922 5.703 1.732 1.00 15.34 H new ATOM 0 HZ PHE A 84 1.970 3.986 -0.036 1.00 4.42 H new ATOM 1329 N GLY A 85 -4.296 8.222 2.365 1.00 64.22 N ATOM 1330 CA GLY A 85 -4.786 8.871 3.567 1.00 5.30 C ATOM 1331 C GLY A 85 -6.299 8.846 3.664 1.00 2.52 C ATOM 1332 O GLY A 85 -6.992 8.846 2.647 1.00 22.04 O ATOM 0 H GLY A 85 -4.108 8.851 1.585 1.00 64.22 H new ATOM 0 HA2 GLY A 85 -4.361 8.378 4.441 1.00 5.30 H new ATOM 0 HA3 GLY A 85 -4.441 9.905 3.584 1.00 5.30 H new ATOM 1336 N GLN A 86 -6.811 8.824 4.890 1.00 42.43 N ATOM 1337 CA GLN A 86 -8.252 8.796 5.115 1.00 52.01 C ATOM 1338 C GLN A 86 -8.902 10.090 4.637 1.00 63.41 C ATOM 1339 O GLN A 86 -8.215 11.050 4.290 1.00 73.22 O ATOM 1340 CB GLN A 86 -8.553 8.578 6.598 1.00 35.20 C ATOM 1341 CG GLN A 86 -9.047 7.176 6.919 1.00 10.42 C ATOM 1342 CD GLN A 86 -8.017 6.109 6.605 1.00 73.52 C ATOM 1343 OE1 GLN A 86 -7.725 5.835 5.441 1.00 42.32 O ATOM 1344 NE2 GLN A 86 -7.461 5.499 7.646 1.00 61.55 N ATOM 0 H GLN A 86 -6.251 8.825 5.742 1.00 42.43 H new ATOM 0 HA GLN A 86 -8.668 7.968 4.541 1.00 52.01 H new ATOM 0 HB2 GLN A 86 -7.651 8.778 7.176 1.00 35.20 H new ATOM 0 HB3 GLN A 86 -9.303 9.301 6.918 1.00 35.20 H new ATOM 0 HG2 GLN A 86 -9.312 7.121 7.975 1.00 10.42 H new ATOM 0 HG3 GLN A 86 -9.956 6.976 6.352 1.00 10.42 H new ATOM 0 HE21 GLN A 86 -7.733 5.758 8.594 1.00 61.55 H new ATOM 0 HE22 GLN A 86 -6.762 4.771 7.497 1.00 61.55 H new ATOM 1353 N ASN A 87 -10.231 10.108 4.620 1.00 31.20 N ATOM 1354 CA ASN A 87 -10.975 11.283 4.184 1.00 45.35 C ATOM 1355 C ASN A 87 -12.402 11.255 4.721 1.00 15.25 C ATOM 1356 O ASN A 87 -12.887 10.216 5.166 1.00 4.03 O ATOM 1357 CB ASN A 87 -10.995 11.361 2.655 1.00 34.33 C ATOM 1358 CG ASN A 87 -11.029 12.790 2.149 1.00 11.22 C ATOM 1359 OD1 ASN A 87 -12.008 13.222 1.539 1.00 22.11 O ATOM 1360 ND2 ASN A 87 -9.957 13.532 2.402 1.00 35.51 N ATOM 0 H ASN A 87 -10.815 9.321 4.904 1.00 31.20 H new ATOM 0 HA ASN A 87 -10.474 12.166 4.581 1.00 45.35 H new ATOM 0 HB2 ASN A 87 -10.114 10.858 2.257 1.00 34.33 H new ATOM 0 HB3 ASN A 87 -11.866 10.824 2.278 1.00 34.33 H new ATOM 0 HD21 ASN A 87 -9.922 14.502 2.087 1.00 35.51 H new ATOM 0 HD22 ASN A 87 -9.169 13.132 2.911 1.00 35.51 H new ATOM 1367 N GLU A 88 -13.068 12.405 4.677 1.00 63.12 N ATOM 1368 CA GLU A 88 -14.440 12.511 5.160 1.00 73.11 C ATOM 1369 C GLU A 88 -15.371 11.607 4.357 1.00 72.51 C ATOM 1370 O GLU A 88 -15.810 10.563 4.840 1.00 5.10 O ATOM 1371 CB GLU A 88 -14.923 13.961 5.077 1.00 3.53 C ATOM 1372 CG GLU A 88 -14.704 14.750 6.356 1.00 14.52 C ATOM 1373 CD GLU A 88 -14.760 16.249 6.136 1.00 25.53 C ATOM 1374 OE1 GLU A 88 -14.993 16.671 4.983 1.00 1.34 O ATOM 1375 OE2 GLU A 88 -14.574 17.000 7.115 1.00 74.22 O ATOM 0 H GLU A 88 -12.680 13.275 4.312 1.00 63.12 H new ATOM 0 HA GLU A 88 -14.457 12.189 6.201 1.00 73.11 H new ATOM 0 HB2 GLU A 88 -14.405 14.461 4.259 1.00 3.53 H new ATOM 0 HB3 GLU A 88 -15.985 13.968 4.833 1.00 3.53 H new ATOM 0 HG2 GLU A 88 -15.461 14.466 7.087 1.00 14.52 H new ATOM 0 HG3 GLU A 88 -13.735 14.485 6.780 1.00 14.52 H new ATOM 1382 N THR A 89 -15.670 12.017 3.128 1.00 42.12 N ATOM 1383 CA THR A 89 -16.550 11.245 2.258 1.00 64.33 C ATOM 1384 C THR A 89 -16.513 11.776 0.830 1.00 65.52 C ATOM 1385 O THR A 89 -16.545 11.007 -0.131 1.00 3.15 O ATOM 1386 CB THR A 89 -18.003 11.270 2.766 1.00 3.44 C ATOM 1387 OG1 THR A 89 -18.856 10.581 1.845 1.00 34.35 O ATOM 1388 CG2 THR A 89 -18.492 12.700 2.944 1.00 35.32 C ATOM 0 H THR A 89 -15.316 12.879 2.713 1.00 42.12 H new ATOM 0 HA THR A 89 -16.187 10.217 2.270 1.00 64.33 H new ATOM 0 HB THR A 89 -18.033 10.770 3.734 1.00 3.44 H new ATOM 0 HG1 THR A 89 -19.778 10.600 2.176 1.00 34.35 H new ATOM 0 HG21 THR A 89 -19.521 12.691 3.304 1.00 35.32 H new ATOM 0 HG22 THR A 89 -17.859 13.213 3.668 1.00 35.32 H new ATOM 0 HG23 THR A 89 -18.447 13.222 1.988 1.00 35.32 H new ATOM 1396 N THR A 90 -16.447 13.097 0.696 1.00 53.34 N ATOM 1397 CA THR A 90 -16.406 13.730 -0.616 1.00 64.10 C ATOM 1398 C THR A 90 -15.926 15.174 -0.515 1.00 11.52 C ATOM 1399 O THR A 90 -16.397 15.937 0.328 1.00 4.22 O ATOM 1400 CB THR A 90 -17.789 13.708 -1.293 1.00 4.33 C ATOM 1401 OG1 THR A 90 -18.764 13.161 -0.399 1.00 0.33 O ATOM 1402 CG2 THR A 90 -17.752 12.888 -2.574 1.00 44.52 C ATOM 0 H THR A 90 -16.421 13.749 1.480 1.00 53.34 H new ATOM 0 HA THR A 90 -15.703 13.157 -1.221 1.00 64.10 H new ATOM 0 HB THR A 90 -18.062 14.733 -1.544 1.00 4.33 H new ATOM 0 HG1 THR A 90 -19.641 13.152 -0.837 1.00 0.33 H new ATOM 0 HG21 THR A 90 -18.740 12.887 -3.034 1.00 44.52 H new ATOM 0 HG22 THR A 90 -17.030 13.324 -3.265 1.00 44.52 H new ATOM 0 HG23 THR A 90 -17.459 11.864 -2.342 1.00 44.52 H new ATOM 1410 N SER A 91 -14.985 15.542 -1.380 1.00 52.22 N ATOM 1411 CA SER A 91 -14.439 16.894 -1.386 1.00 23.32 C ATOM 1412 C SER A 91 -15.464 17.892 -1.915 1.00 73.34 C ATOM 1413 O SER A 91 -16.428 17.531 -2.590 1.00 65.30 O ATOM 1414 CB SER A 91 -13.169 16.950 -2.237 1.00 10.52 C ATOM 1415 OG SER A 91 -12.771 15.652 -2.645 1.00 22.30 O ATOM 0 H SER A 91 -14.585 14.923 -2.085 1.00 52.22 H new ATOM 0 HA SER A 91 -14.192 17.164 -0.359 1.00 23.32 H new ATOM 0 HB2 SER A 91 -13.342 17.573 -3.114 1.00 10.52 H new ATOM 0 HB3 SER A 91 -12.366 17.418 -1.667 1.00 10.52 H new ATOM 0 HG SER A 91 -11.958 15.715 -3.189 1.00 22.30 H new ATOM 1421 N PRO A 92 -15.252 19.178 -1.602 1.00 60.30 N ATOM 1422 CA PRO A 92 -16.145 20.257 -2.036 1.00 30.11 C ATOM 1423 C PRO A 92 -16.066 20.507 -3.539 1.00 60.04 C ATOM 1424 O PRO A 92 -15.405 19.765 -4.267 1.00 32.42 O ATOM 1425 CB PRO A 92 -15.634 21.475 -1.263 1.00 33.35 C ATOM 1426 CG PRO A 92 -14.203 21.171 -0.983 1.00 55.04 C ATOM 1427 CD PRO A 92 -14.123 19.681 -0.801 1.00 64.13 C ATOM 0 HA PRO A 92 -17.191 20.021 -1.842 1.00 30.11 H new ATOM 0 HB2 PRO A 92 -15.738 22.388 -1.849 1.00 33.35 H new ATOM 0 HB3 PRO A 92 -16.195 21.623 -0.340 1.00 33.35 H new ATOM 0 HG2 PRO A 92 -13.567 21.498 -1.805 1.00 55.04 H new ATOM 0 HG3 PRO A 92 -13.861 21.692 -0.089 1.00 55.04 H new ATOM 0 HD2 PRO A 92 -13.171 19.284 -1.154 1.00 64.13 H new ATOM 0 HD3 PRO A 92 -14.217 19.399 0.248 1.00 64.13 H new ATOM 1435 N HIS A 93 -16.742 21.556 -3.996 1.00 62.43 N ATOM 1436 CA HIS A 93 -16.745 21.904 -5.412 1.00 33.42 C ATOM 1437 C HIS A 93 -16.290 23.346 -5.619 1.00 14.13 C ATOM 1438 O HIS A 93 -16.705 24.248 -4.893 1.00 3.43 O ATOM 1439 CB HIS A 93 -18.142 21.709 -6.003 1.00 33.41 C ATOM 1440 CG HIS A 93 -19.230 22.340 -5.191 1.00 64.35 C ATOM 1441 ND1 HIS A 93 -19.809 21.724 -4.101 1.00 62.41 N ATOM 1442 CD2 HIS A 93 -19.843 23.541 -5.313 1.00 34.41 C ATOM 1443 CE1 HIS A 93 -20.733 22.518 -3.589 1.00 44.51 C ATOM 1444 NE2 HIS A 93 -20.772 23.627 -4.305 1.00 24.32 N ATOM 0 H HIS A 93 -17.294 22.179 -3.407 1.00 62.43 H new ATOM 0 HA HIS A 93 -16.045 21.244 -5.924 1.00 33.42 H new ATOM 0 HB2 HIS A 93 -18.163 22.126 -7.010 1.00 33.41 H new ATOM 0 HB3 HIS A 93 -18.342 20.642 -6.096 1.00 33.41 H new ATOM 0 HD2 HIS A 93 -19.640 24.291 -6.063 1.00 34.41 H new ATOM 0 HE1 HIS A 93 -21.351 22.298 -2.731 1.00 44.51 H new ATOM 0 HE2 HIS A 93 -21.392 24.419 -4.137 1.00 24.32 H new ATOM 1452 N SER A 94 -15.432 23.554 -6.612 1.00 52.11 N ATOM 1453 CA SER A 94 -14.916 24.885 -6.911 1.00 70.32 C ATOM 1454 C SER A 94 -14.559 25.009 -8.389 1.00 14.44 C ATOM 1455 O SER A 94 -13.973 24.100 -8.977 1.00 10.43 O ATOM 1456 CB SER A 94 -13.687 25.183 -6.050 1.00 51.10 C ATOM 1457 OG SER A 94 -13.901 24.796 -4.705 1.00 3.42 O ATOM 0 H SER A 94 -15.079 22.818 -7.224 1.00 52.11 H new ATOM 0 HA SER A 94 -15.696 25.611 -6.682 1.00 70.32 H new ATOM 0 HB2 SER A 94 -12.822 24.655 -6.450 1.00 51.10 H new ATOM 0 HB3 SER A 94 -13.458 26.248 -6.093 1.00 51.10 H new ATOM 0 HG SER A 94 -13.101 24.995 -4.176 1.00 3.42 H new ATOM 1463 N GLY A 95 -14.915 26.143 -8.984 1.00 21.35 N ATOM 1464 CA GLY A 95 -14.625 26.368 -10.388 1.00 44.10 C ATOM 1465 C GLY A 95 -15.562 27.378 -11.021 1.00 74.11 C ATOM 1466 O GLY A 95 -16.782 27.220 -10.966 1.00 73.43 O ATOM 0 H GLY A 95 -15.399 26.910 -8.519 1.00 21.35 H new ATOM 0 HA2 GLY A 95 -13.597 26.716 -10.492 1.00 44.10 H new ATOM 0 HA3 GLY A 95 -14.697 25.423 -10.926 1.00 44.10 H new ATOM 1470 N GLN A 96 -14.992 28.417 -11.620 1.00 10.41 N ATOM 1471 CA GLN A 96 -15.787 29.457 -12.264 1.00 71.33 C ATOM 1472 C GLN A 96 -15.794 29.279 -13.778 1.00 34.40 C ATOM 1473 O GLN A 96 -16.852 29.144 -14.393 1.00 15.22 O ATOM 1474 CB GLN A 96 -15.241 30.841 -11.904 1.00 73.40 C ATOM 1475 CG GLN A 96 -16.118 31.606 -10.927 1.00 74.35 C ATOM 1476 CD GLN A 96 -15.403 31.930 -9.630 1.00 20.51 C ATOM 1477 OE1 GLN A 96 -15.063 31.035 -8.855 1.00 20.51 O ATOM 1478 NE2 GLN A 96 -15.172 33.214 -9.386 1.00 12.22 N ATOM 0 H GLN A 96 -13.984 28.562 -11.673 1.00 10.41 H new ATOM 0 HA GLN A 96 -16.812 29.372 -11.902 1.00 71.33 H new ATOM 0 HB2 GLN A 96 -14.245 30.729 -11.475 1.00 73.40 H new ATOM 0 HB3 GLN A 96 -15.131 31.427 -12.816 1.00 73.40 H new ATOM 0 HG2 GLN A 96 -16.453 32.532 -11.394 1.00 74.35 H new ATOM 0 HG3 GLN A 96 -17.010 31.019 -10.709 1.00 74.35 H new ATOM 0 HE21 GLN A 96 -15.471 33.922 -10.056 1.00 12.22 H new ATOM 0 HE22 GLN A 96 -14.695 33.492 -8.528 1.00 12.22 H new ATOM 1487 N LYS A 97 -14.607 29.279 -14.375 1.00 3.33 N ATOM 1488 CA LYS A 97 -14.475 29.115 -15.817 1.00 3.12 C ATOM 1489 C LYS A 97 -13.016 28.910 -16.211 1.00 51.43 C ATOM 1490 O LYS A 97 -12.689 27.996 -16.968 1.00 55.44 O ATOM 1491 CB LYS A 97 -15.043 30.337 -16.544 1.00 25.30 C ATOM 1492 CG LYS A 97 -16.087 29.991 -17.591 1.00 72.12 C ATOM 1493 CD LYS A 97 -15.532 30.127 -18.999 1.00 72.33 C ATOM 1494 CE LYS A 97 -14.932 28.817 -19.490 1.00 74.13 C ATOM 1495 NZ LYS A 97 -15.890 28.051 -20.333 1.00 13.31 N ATOM 0 H LYS A 97 -13.722 29.391 -13.881 1.00 3.33 H new ATOM 0 HA LYS A 97 -15.040 28.230 -16.109 1.00 3.12 H new ATOM 0 HB2 LYS A 97 -15.485 31.012 -15.811 1.00 25.30 H new ATOM 0 HB3 LYS A 97 -14.226 30.877 -17.022 1.00 25.30 H new ATOM 0 HG2 LYS A 97 -16.437 28.971 -17.434 1.00 72.12 H new ATOM 0 HG3 LYS A 97 -16.951 30.645 -17.475 1.00 72.12 H new ATOM 0 HD2 LYS A 97 -16.327 30.441 -19.676 1.00 72.33 H new ATOM 0 HD3 LYS A 97 -14.771 30.907 -19.018 1.00 72.33 H new ATOM 0 HE2 LYS A 97 -14.028 29.024 -20.063 1.00 74.13 H new ATOM 0 HE3 LYS A 97 -14.635 28.210 -18.635 1.00 74.13 H new ATOM 0 HZ1 LYS A 97 -15.444 27.166 -20.648 1.00 13.31 H new ATOM 0 HZ2 LYS A 97 -16.742 27.832 -19.778 1.00 13.31 H new ATOM 0 HZ3 LYS A 97 -16.154 28.620 -21.163 1.00 13.31 H new ATOM 1509 N THR A 98 -12.141 29.766 -15.691 1.00 53.15 N ATOM 1510 CA THR A 98 -10.717 29.679 -15.988 1.00 52.21 C ATOM 1511 C THR A 98 -9.895 29.567 -14.709 1.00 33.53 C ATOM 1512 O THR A 98 -10.151 30.269 -13.732 1.00 23.30 O ATOM 1513 CB THR A 98 -10.235 30.902 -16.790 1.00 34.33 C ATOM 1514 OG1 THR A 98 -10.985 32.063 -16.414 1.00 75.54 O ATOM 1515 CG2 THR A 98 -10.380 30.661 -18.285 1.00 31.14 C ATOM 0 H THR A 98 -12.394 30.528 -15.062 1.00 53.15 H new ATOM 0 HA THR A 98 -10.573 28.781 -16.589 1.00 52.21 H new ATOM 0 HB THR A 98 -9.181 31.063 -16.564 1.00 34.33 H new ATOM 0 HG1 THR A 98 -10.671 32.836 -16.928 1.00 75.54 H new ATOM 0 HG21 THR A 98 -10.033 31.539 -18.830 1.00 31.14 H new ATOM 0 HG22 THR A 98 -9.784 29.795 -18.574 1.00 31.14 H new ATOM 0 HG23 THR A 98 -11.427 30.476 -18.524 1.00 31.14 H new ATOM 1523 N GLY A 99 -8.904 28.680 -14.723 1.00 2.33 N ATOM 1524 CA GLY A 99 -8.059 28.493 -13.559 1.00 43.31 C ATOM 1525 C GLY A 99 -6.852 29.410 -13.566 1.00 74.10 C ATOM 1526 O GLY A 99 -6.980 30.572 -13.185 1.00 11.42 O ATOM 0 H GLY A 99 -8.672 28.088 -15.520 1.00 2.33 H new ATOM 0 HA2 GLY A 99 -8.643 28.673 -12.657 1.00 43.31 H new ATOM 0 HA3 GLY A 99 -7.724 27.457 -13.520 1.00 43.31 H new TER 1530 GLY A 99 ATOM 1531 N MET B 1 13.774 39.745 -4.096 1.00 51.11 N ATOM 1532 CA MET B 1 12.533 39.497 -3.371 1.00 63.42 C ATOM 1533 C MET B 1 12.229 38.004 -3.308 1.00 24.41 C ATOM 1534 O MET B 1 11.809 37.489 -2.272 1.00 25.51 O ATOM 1535 CB MET B 1 11.372 40.239 -4.037 1.00 75.14 C ATOM 1536 CG MET B 1 11.272 41.700 -3.629 1.00 44.22 C ATOM 1537 SD MET B 1 11.225 42.815 -5.045 1.00 21.25 S ATOM 1538 CE MET B 1 9.490 42.730 -5.485 1.00 23.32 C ATOM 0 H1 MET B 1 14.049 40.741 -3.982 1.00 51.11 H new ATOM 0 H2 MET B 1 14.525 39.133 -3.718 1.00 51.11 H new ATOM 0 H3 MET B 1 13.634 39.538 -5.105 1.00 51.11 H new ATOM 0 HA MET B 1 12.655 39.867 -2.353 1.00 63.42 H new ATOM 0 HB2 MET B 1 11.486 40.179 -5.119 1.00 75.14 H new ATOM 0 HB3 MET B 1 10.438 39.735 -3.787 1.00 75.14 H new ATOM 0 HG2 MET B 1 10.374 41.845 -3.028 1.00 44.22 H new ATOM 0 HG3 MET B 1 12.123 41.956 -2.998 1.00 44.22 H new ATOM 0 HE1 MET B 1 9.302 43.369 -6.348 1.00 23.32 H new ATOM 0 HE2 MET B 1 9.227 41.701 -5.731 1.00 23.32 H new ATOM 0 HE3 MET B 1 8.884 43.068 -4.644 1.00 23.32 H new ATOM 1548 N SER B 2 12.442 37.314 -4.424 1.00 52.41 N ATOM 1549 CA SER B 2 12.186 35.879 -4.497 1.00 52.31 C ATOM 1550 C SER B 2 13.492 35.092 -4.455 1.00 72.12 C ATOM 1551 O SER B 2 14.407 35.344 -5.238 1.00 1.24 O ATOM 1552 CB SER B 2 11.413 35.542 -5.773 1.00 33.21 C ATOM 1553 OG SER B 2 10.389 34.597 -5.514 1.00 21.32 O ATOM 0 H SER B 2 12.791 37.725 -5.290 1.00 52.41 H new ATOM 0 HA SER B 2 11.585 35.597 -3.633 1.00 52.31 H new ATOM 0 HB2 SER B 2 10.977 36.451 -6.189 1.00 33.21 H new ATOM 0 HB3 SER B 2 12.098 35.145 -6.523 1.00 33.21 H new ATOM 0 HG SER B 2 9.908 34.399 -6.345 1.00 21.32 H new ATOM 1559 N ASN B 3 13.570 34.136 -3.534 1.00 61.32 N ATOM 1560 CA ASN B 3 14.763 33.311 -3.389 1.00 34.05 C ATOM 1561 C ASN B 3 14.701 32.096 -4.311 1.00 13.43 C ATOM 1562 O ASN B 3 13.620 31.601 -4.631 1.00 63.53 O ATOM 1563 CB ASN B 3 14.920 32.855 -1.937 1.00 35.42 C ATOM 1564 CG ASN B 3 15.571 33.913 -1.066 1.00 24.34 C ATOM 1565 OD1 ASN B 3 16.571 33.653 -0.397 1.00 34.54 O ATOM 1566 ND2 ASN B 3 15.005 35.114 -1.071 1.00 22.22 N ATOM 0 H ASN B 3 12.821 33.914 -2.878 1.00 61.32 H new ATOM 0 HA ASN B 3 15.627 33.914 -3.669 1.00 34.05 H new ATOM 0 HB2 ASN B 3 13.940 32.605 -1.530 1.00 35.42 H new ATOM 0 HB3 ASN B 3 15.519 31.945 -1.908 1.00 35.42 H new ATOM 0 HD21 ASN B 3 15.399 35.866 -0.505 1.00 22.22 H new ATOM 0 HD22 ASN B 3 14.177 35.285 -1.641 1.00 22.22 H new ATOM 1573 N THR B 4 15.867 31.621 -4.734 1.00 72.34 N ATOM 1574 CA THR B 4 15.947 30.466 -5.620 1.00 42.42 C ATOM 1575 C THR B 4 15.584 29.182 -4.881 1.00 52.45 C ATOM 1576 O THR B 4 15.647 29.122 -3.653 1.00 62.33 O ATOM 1577 CB THR B 4 17.354 30.316 -6.225 1.00 14.31 C ATOM 1578 OG1 THR B 4 18.070 31.551 -6.111 1.00 24.44 O ATOM 1579 CG2 THR B 4 17.275 29.904 -7.687 1.00 44.11 C ATOM 0 H THR B 4 16.771 32.018 -4.477 1.00 72.34 H new ATOM 0 HA THR B 4 15.232 30.635 -6.425 1.00 42.42 H new ATOM 0 HB THR B 4 17.881 29.538 -5.673 1.00 14.31 H new ATOM 0 HG1 THR B 4 18.965 31.447 -6.497 1.00 24.44 H new ATOM 0 HG21 THR B 4 18.282 29.805 -8.092 1.00 44.11 H new ATOM 0 HG22 THR B 4 16.755 28.949 -7.768 1.00 44.11 H new ATOM 0 HG23 THR B 4 16.731 30.662 -8.250 1.00 44.11 H new ATOM 1587 N ILE B 5 15.206 28.157 -5.637 1.00 72.43 N ATOM 1588 CA ILE B 5 14.835 26.874 -5.053 1.00 60.40 C ATOM 1589 C ILE B 5 15.907 26.380 -4.087 1.00 73.52 C ATOM 1590 O ILE B 5 15.601 25.928 -2.984 1.00 14.01 O ATOM 1591 CB ILE B 5 14.608 25.805 -6.139 1.00 41.35 C ATOM 1592 CG1 ILE B 5 13.507 26.253 -7.103 1.00 41.00 C ATOM 1593 CG2 ILE B 5 14.252 24.471 -5.503 1.00 64.43 C ATOM 1594 CD1 ILE B 5 13.771 25.869 -8.542 1.00 71.13 C ATOM 0 H ILE B 5 15.149 28.190 -6.655 1.00 72.43 H new ATOM 0 HA ILE B 5 13.903 27.032 -4.510 1.00 60.40 H new ATOM 0 HB ILE B 5 15.532 25.680 -6.704 1.00 41.35 H new ATOM 0 HG12 ILE B 5 12.559 25.817 -6.787 1.00 41.00 H new ATOM 0 HG13 ILE B 5 13.397 27.336 -7.039 1.00 41.00 H new ATOM 0 HG21 ILE B 5 14.095 23.726 -6.283 1.00 64.43 H new ATOM 0 HG22 ILE B 5 15.066 24.149 -4.853 1.00 64.43 H new ATOM 0 HG23 ILE B 5 13.340 24.580 -4.916 1.00 64.43 H new ATOM 0 HD11 ILE B 5 12.950 26.218 -9.168 1.00 71.13 H new ATOM 0 HD12 ILE B 5 14.702 26.327 -8.876 1.00 71.13 H new ATOM 0 HD13 ILE B 5 13.851 24.785 -8.620 1.00 71.13 H new ATOM 1606 N SER B 6 17.164 26.471 -4.509 1.00 1.32 N ATOM 1607 CA SER B 6 18.282 26.032 -3.681 1.00 35.53 C ATOM 1608 C SER B 6 18.324 26.807 -2.369 1.00 22.31 C ATOM 1609 O SER B 6 18.510 26.228 -1.299 1.00 0.21 O ATOM 1610 CB SER B 6 19.602 26.208 -4.435 1.00 41.32 C ATOM 1611 OG SER B 6 20.332 27.313 -3.930 1.00 21.35 O ATOM 0 H SER B 6 17.434 26.845 -5.419 1.00 1.32 H new ATOM 0 HA SER B 6 18.141 24.976 -3.453 1.00 35.53 H new ATOM 0 HB2 SER B 6 20.200 25.301 -4.345 1.00 41.32 H new ATOM 0 HB3 SER B 6 19.402 26.354 -5.496 1.00 41.32 H new ATOM 0 HG SER B 6 21.031 26.993 -3.322 1.00 21.35 H new ATOM 1617 N GLU B 7 18.151 28.123 -2.460 1.00 32.11 N ATOM 1618 CA GLU B 7 18.170 28.979 -1.280 1.00 62.35 C ATOM 1619 C GLU B 7 17.135 28.518 -0.258 1.00 42.41 C ATOM 1620 O GLU B 7 17.317 28.690 0.948 1.00 11.21 O ATOM 1621 CB GLU B 7 17.904 30.433 -1.673 1.00 23.21 C ATOM 1622 CG GLU B 7 19.114 31.137 -2.262 1.00 1.43 C ATOM 1623 CD GLU B 7 20.202 31.383 -1.234 1.00 1.34 C ATOM 1624 OE1 GLU B 7 19.864 31.696 -0.075 1.00 64.22 O ATOM 1625 OE2 GLU B 7 21.393 31.262 -1.592 1.00 2.32 O ATOM 0 H GLU B 7 17.996 28.618 -3.338 1.00 32.11 H new ATOM 0 HA GLU B 7 19.159 28.909 -0.827 1.00 62.35 H new ATOM 0 HB2 GLU B 7 17.090 30.461 -2.397 1.00 23.21 H new ATOM 0 HB3 GLU B 7 17.567 30.982 -0.794 1.00 23.21 H new ATOM 0 HG2 GLU B 7 19.518 30.537 -3.077 1.00 1.43 H new ATOM 0 HG3 GLU B 7 18.803 32.089 -2.691 1.00 1.43 H new ATOM 1632 N LYS B 8 16.048 27.933 -0.747 1.00 33.03 N ATOM 1633 CA LYS B 8 14.982 27.447 0.122 1.00 74.20 C ATOM 1634 C LYS B 8 15.465 26.274 0.970 1.00 72.42 C ATOM 1635 O LYS B 8 14.867 25.952 1.997 1.00 55.43 O ATOM 1636 CB LYS B 8 13.771 27.023 -0.711 1.00 61.22 C ATOM 1637 CG LYS B 8 13.435 27.991 -1.832 1.00 10.12 C ATOM 1638 CD LYS B 8 11.980 27.873 -2.254 1.00 72.53 C ATOM 1639 CE LYS B 8 11.266 29.214 -2.178 1.00 74.45 C ATOM 1640 NZ LYS B 8 11.119 29.839 -3.522 1.00 44.13 N ATOM 0 H LYS B 8 15.881 27.783 -1.742 1.00 33.03 H new ATOM 0 HA LYS B 8 14.691 28.259 0.788 1.00 74.20 H new ATOM 0 HB2 LYS B 8 13.961 26.038 -1.138 1.00 61.22 H new ATOM 0 HB3 LYS B 8 12.906 26.925 -0.055 1.00 61.22 H new ATOM 0 HG2 LYS B 8 13.639 29.011 -1.506 1.00 10.12 H new ATOM 0 HG3 LYS B 8 14.080 27.795 -2.688 1.00 10.12 H new ATOM 0 HD2 LYS B 8 11.926 27.488 -3.272 1.00 72.53 H new ATOM 0 HD3 LYS B 8 11.472 27.152 -1.613 1.00 72.53 H new ATOM 0 HE2 LYS B 8 10.281 29.077 -1.731 1.00 74.45 H new ATOM 0 HE3 LYS B 8 11.822 29.885 -1.524 1.00 74.45 H new ATOM 0 HZ1 LYS B 8 10.349 30.538 -3.498 1.00 44.13 H new ATOM 0 HZ2 LYS B 8 12.008 30.312 -3.784 1.00 44.13 H new ATOM 0 HZ3 LYS B 8 10.897 29.104 -4.224 1.00 44.13 H new ATOM 1654 N ILE B 9 16.549 25.642 0.535 1.00 12.54 N ATOM 1655 CA ILE B 9 17.112 24.506 1.255 1.00 14.12 C ATOM 1656 C ILE B 9 18.379 24.905 2.005 1.00 2.44 C ATOM 1657 O ILE B 9 18.992 24.086 2.690 1.00 32.42 O ATOM 1658 CB ILE B 9 17.438 23.340 0.304 1.00 61.41 C ATOM 1659 CG1 ILE B 9 16.288 23.121 -0.681 1.00 2.42 C ATOM 1660 CG2 ILE B 9 17.713 22.071 1.097 1.00 21.54 C ATOM 1661 CD1 ILE B 9 16.542 22.001 -1.666 1.00 4.43 C ATOM 0 H ILE B 9 17.056 25.897 -0.313 1.00 12.54 H new ATOM 0 HA ILE B 9 16.356 24.180 1.969 1.00 14.12 H new ATOM 0 HB ILE B 9 18.334 23.592 -0.263 1.00 61.41 H new ATOM 0 HG12 ILE B 9 15.378 22.903 -0.122 1.00 2.42 H new ATOM 0 HG13 ILE B 9 16.111 24.045 -1.231 1.00 2.42 H new ATOM 0 HG21 ILE B 9 17.942 21.256 0.411 1.00 21.54 H new ATOM 0 HG22 ILE B 9 18.561 22.234 1.762 1.00 21.54 H new ATOM 0 HG23 ILE B 9 16.834 21.813 1.687 1.00 21.54 H new ATOM 0 HD11 ILE B 9 15.686 21.902 -2.333 1.00 4.43 H new ATOM 0 HD12 ILE B 9 17.434 22.226 -2.251 1.00 4.43 H new ATOM 0 HD13 ILE B 9 16.690 21.067 -1.124 1.00 4.43 H new ATOM 1673 N VAL B 10 18.765 26.170 1.872 1.00 31.43 N ATOM 1674 CA VAL B 10 19.957 26.680 2.540 1.00 4.14 C ATOM 1675 C VAL B 10 19.592 27.454 3.801 1.00 20.24 C ATOM 1676 O VAL B 10 20.103 27.170 4.886 1.00 25.00 O ATOM 1677 CB VAL B 10 20.774 27.595 1.607 1.00 14.00 C ATOM 1678 CG1 VAL B 10 22.064 28.033 2.285 1.00 0.51 C ATOM 1679 CG2 VAL B 10 21.067 26.890 0.291 1.00 13.31 C ATOM 0 H VAL B 10 18.270 26.861 1.308 1.00 31.43 H new ATOM 0 HA VAL B 10 20.563 25.815 2.811 1.00 4.14 H new ATOM 0 HB VAL B 10 20.183 28.485 1.392 1.00 14.00 H new ATOM 0 HG11 VAL B 10 22.628 28.678 1.612 1.00 0.51 H new ATOM 0 HG12 VAL B 10 21.828 28.579 3.198 1.00 0.51 H new ATOM 0 HG13 VAL B 10 22.662 27.155 2.532 1.00 0.51 H new ATOM 0 HG21 VAL B 10 21.645 27.551 -0.355 1.00 13.31 H new ATOM 0 HG22 VAL B 10 21.638 25.982 0.484 1.00 13.31 H new ATOM 0 HG23 VAL B 10 20.129 26.632 -0.200 1.00 13.31 H new ATOM 1689 N LEU B 11 18.707 28.432 3.654 1.00 4.44 N ATOM 1690 CA LEU B 11 18.272 29.248 4.782 1.00 2.34 C ATOM 1691 C LEU B 11 17.805 28.372 5.940 1.00 45.43 C ATOM 1692 O LEU B 11 18.217 28.565 7.083 1.00 75.44 O ATOM 1693 CB LEU B 11 17.145 30.189 4.353 1.00 4.21 C ATOM 1694 CG LEU B 11 16.032 29.563 3.512 1.00 62.10 C ATOM 1695 CD1 LEU B 11 14.846 29.190 4.389 1.00 1.11 C ATOM 1696 CD2 LEU B 11 15.601 30.513 2.404 1.00 42.24 C ATOM 0 H LEU B 11 18.276 28.680 2.764 1.00 4.44 H new ATOM 0 HA LEU B 11 19.123 29.840 5.119 1.00 2.34 H new ATOM 0 HB2 LEU B 11 16.698 30.620 5.249 1.00 4.21 H new ATOM 0 HB3 LEU B 11 17.581 31.012 3.787 1.00 4.21 H new ATOM 0 HG LEU B 11 16.418 28.653 3.052 1.00 62.10 H new ATOM 0 HD11 LEU B 11 14.064 28.746 3.773 1.00 1.11 H new ATOM 0 HD12 LEU B 11 15.164 28.472 5.145 1.00 1.11 H new ATOM 0 HD13 LEU B 11 14.459 30.084 4.878 1.00 1.11 H new ATOM 0 HD21 LEU B 11 14.808 30.050 1.816 1.00 42.24 H new ATOM 0 HD22 LEU B 11 15.233 31.441 2.843 1.00 42.24 H new ATOM 0 HD23 LEU B 11 16.452 30.729 1.759 1.00 42.24 H new ATOM 1708 N MET B 12 16.945 27.405 5.635 1.00 15.32 N ATOM 1709 CA MET B 12 16.425 26.496 6.649 1.00 4.44 C ATOM 1710 C MET B 12 17.519 25.561 7.154 1.00 75.53 C ATOM 1711 O MET B 12 17.641 25.325 8.356 1.00 31.24 O ATOM 1712 CB MET B 12 15.260 25.680 6.085 1.00 24.25 C ATOM 1713 CG MET B 12 15.591 24.970 4.783 1.00 13.14 C ATOM 1714 SD MET B 12 15.908 23.210 5.012 1.00 25.25 S ATOM 1715 CE MET B 12 15.136 22.532 3.546 1.00 64.33 C ATOM 0 H MET B 12 16.594 27.231 4.693 1.00 15.32 H new ATOM 0 HA MET B 12 16.067 27.094 7.487 1.00 4.44 H new ATOM 0 HB2 MET B 12 14.953 24.941 6.825 1.00 24.25 H new ATOM 0 HB3 MET B 12 14.409 26.341 5.923 1.00 24.25 H new ATOM 0 HG2 MET B 12 14.765 25.098 4.084 1.00 13.14 H new ATOM 0 HG3 MET B 12 16.466 25.437 4.331 1.00 13.14 H new ATOM 0 HE1 MET B 12 15.678 21.641 3.228 1.00 64.33 H new ATOM 0 HE2 MET B 12 14.102 22.268 3.768 1.00 64.33 H new ATOM 0 HE3 MET B 12 15.157 23.274 2.747 1.00 64.33 H new ATOM 1725 N ARG B 13 18.312 25.032 6.228 1.00 31.24 N ATOM 1726 CA ARG B 13 19.395 24.122 6.580 1.00 74.51 C ATOM 1727 C ARG B 13 20.277 24.721 7.672 1.00 20.12 C ATOM 1728 O ARG B 13 20.552 24.079 8.685 1.00 41.34 O ATOM 1729 CB ARG B 13 20.241 23.800 5.346 1.00 32.34 C ATOM 1730 CG ARG B 13 21.540 23.081 5.669 1.00 45.45 C ATOM 1731 CD ARG B 13 22.292 22.693 4.405 1.00 63.05 C ATOM 1732 NE ARG B 13 23.715 23.005 4.496 1.00 42.01 N ATOM 1733 CZ ARG B 13 24.217 24.216 4.275 1.00 41.31 C ATOM 1734 NH1 ARG B 13 23.416 25.221 3.952 1.00 23.35 N ATOM 1735 NH2 ARG B 13 25.524 24.421 4.377 1.00 12.23 N ATOM 0 H ARG B 13 18.225 25.218 5.229 1.00 31.24 H new ATOM 0 HA ARG B 13 18.952 23.201 6.959 1.00 74.51 H new ATOM 0 HB2 ARG B 13 19.654 23.184 4.664 1.00 32.34 H new ATOM 0 HB3 ARG B 13 20.470 24.727 4.821 1.00 32.34 H new ATOM 0 HG2 ARG B 13 22.169 23.723 6.285 1.00 45.45 H new ATOM 0 HG3 ARG B 13 21.326 22.187 6.255 1.00 45.45 H new ATOM 0 HD2 ARG B 13 22.166 21.626 4.222 1.00 63.05 H new ATOM 0 HD3 ARG B 13 21.860 23.216 3.552 1.00 63.05 H new ATOM 0 HE ARG B 13 24.359 22.253 4.742 1.00 42.01 H new ATOM 0 HH11 ARG B 13 22.411 25.067 3.872 1.00 23.35 H new ATOM 0 HH12 ARG B 13 23.805 26.149 3.783 1.00 23.35 H new ATOM 0 HH21 ARG B 13 26.143 23.649 4.625 1.00 12.23 H new ATOM 0 HH22 ARG B 13 25.909 25.350 4.207 1.00 12.23 H new ATOM 1749 N LYS B 14 20.718 25.956 7.456 1.00 12.22 N ATOM 1750 CA LYS B 14 21.568 26.644 8.421 1.00 65.30 C ATOM 1751 C LYS B 14 20.814 26.907 9.720 1.00 55.42 C ATOM 1752 O LYS B 14 21.421 27.116 10.770 1.00 72.04 O ATOM 1753 CB LYS B 14 22.072 27.965 7.835 1.00 13.55 C ATOM 1754 CG LYS B 14 23.417 27.847 7.139 1.00 13.50 C ATOM 1755 CD LYS B 14 23.268 27.893 5.628 1.00 31.23 C ATOM 1756 CE LYS B 14 22.765 29.249 5.158 1.00 22.12 C ATOM 1757 NZ LYS B 14 23.719 29.899 4.218 1.00 72.34 N ATOM 0 H LYS B 14 20.501 26.501 6.621 1.00 12.22 H new ATOM 0 HA LYS B 14 22.421 26.001 8.641 1.00 65.30 H new ATOM 0 HB2 LYS B 14 21.336 28.342 7.124 1.00 13.55 H new ATOM 0 HB3 LYS B 14 22.149 28.702 8.635 1.00 13.55 H new ATOM 0 HG2 LYS B 14 24.069 28.657 7.466 1.00 13.50 H new ATOM 0 HG3 LYS B 14 23.898 26.913 7.430 1.00 13.50 H new ATOM 0 HD2 LYS B 14 24.229 27.678 5.160 1.00 31.23 H new ATOM 0 HD3 LYS B 14 22.575 27.115 5.306 1.00 31.23 H new ATOM 0 HE2 LYS B 14 21.799 29.128 4.669 1.00 22.12 H new ATOM 0 HE3 LYS B 14 22.607 29.897 6.020 1.00 22.12 H new ATOM 0 HZ1 LYS B 14 23.214 30.604 3.643 1.00 72.34 H new ATOM 0 HZ2 LYS B 14 24.473 30.369 4.758 1.00 72.34 H new ATOM 0 HZ3 LYS B 14 24.137 29.179 3.595 1.00 72.34 H new ATOM 1771 N SER B 15 19.487 26.893 9.643 1.00 70.12 N ATOM 1772 CA SER B 15 18.650 27.132 10.813 1.00 60.13 C ATOM 1773 C SER B 15 18.760 25.978 11.804 1.00 64.13 C ATOM 1774 O SER B 15 18.523 26.149 13.000 1.00 73.31 O ATOM 1775 CB SER B 15 17.191 27.321 10.392 1.00 63.31 C ATOM 1776 OG SER B 15 16.555 28.305 11.190 1.00 42.11 O ATOM 0 H SER B 15 18.968 26.719 8.782 1.00 70.12 H new ATOM 0 HA SER B 15 19.001 28.041 11.301 1.00 60.13 H new ATOM 0 HB2 SER B 15 17.147 27.614 9.343 1.00 63.31 H new ATOM 0 HB3 SER B 15 16.658 26.375 10.481 1.00 63.31 H new ATOM 0 HG SER B 15 15.706 27.952 11.529 1.00 42.11 H new ATOM 1782 N GLU B 16 19.120 24.803 11.297 1.00 40.41 N ATOM 1783 CA GLU B 16 19.260 23.620 12.138 1.00 13.44 C ATOM 1784 C GLU B 16 20.646 23.565 12.773 1.00 32.01 C ATOM 1785 O GLU B 16 20.930 22.694 13.597 1.00 23.44 O ATOM 1786 CB GLU B 16 19.013 22.351 11.318 1.00 54.12 C ATOM 1787 CG GLU B 16 18.726 21.124 12.167 1.00 50.43 C ATOM 1788 CD GLU B 16 17.380 21.197 12.861 1.00 43.22 C ATOM 1789 OE1 GLU B 16 16.538 22.017 12.438 1.00 35.53 O ATOM 1790 OE2 GLU B 16 17.167 20.433 13.826 1.00 51.44 O ATOM 0 H GLU B 16 19.320 24.645 10.309 1.00 40.41 H new ATOM 0 HA GLU B 16 18.517 23.681 12.933 1.00 13.44 H new ATOM 0 HB2 GLU B 16 18.173 22.521 10.645 1.00 54.12 H new ATOM 0 HB3 GLU B 16 19.886 22.155 10.695 1.00 54.12 H new ATOM 0 HG2 GLU B 16 18.758 20.235 11.537 1.00 50.43 H new ATOM 0 HG3 GLU B 16 19.511 21.013 12.915 1.00 50.43 H new ATOM 1797 N TYR B 17 21.506 24.501 12.386 1.00 34.32 N ATOM 1798 CA TYR B 17 22.863 24.558 12.914 1.00 12.14 C ATOM 1799 C TYR B 17 23.652 23.311 12.527 1.00 53.41 C ATOM 1800 O TYR B 17 24.493 22.832 13.290 1.00 71.22 O ATOM 1801 CB TYR B 17 22.834 24.705 14.437 1.00 12.25 C ATOM 1802 CG TYR B 17 21.874 25.766 14.925 1.00 11.31 C ATOM 1803 CD1 TYR B 17 21.984 27.081 14.494 1.00 4.33 C ATOM 1804 CD2 TYR B 17 20.856 25.451 15.817 1.00 24.11 C ATOM 1805 CE1 TYR B 17 21.109 28.054 14.937 1.00 21.33 C ATOM 1806 CE2 TYR B 17 19.975 26.417 16.265 1.00 12.34 C ATOM 1807 CZ TYR B 17 20.105 27.717 15.822 1.00 21.44 C ATOM 1808 OH TYR B 17 19.232 28.681 16.267 1.00 40.42 O ATOM 0 H TYR B 17 21.287 25.231 11.708 1.00 34.32 H new ATOM 0 HA TYR B 17 23.358 25.427 12.481 1.00 12.14 H new ATOM 0 HB2 TYR B 17 22.560 23.748 14.881 1.00 12.25 H new ATOM 0 HB3 TYR B 17 23.837 24.945 14.790 1.00 12.25 H new ATOM 0 HD1 TYR B 17 22.767 27.348 13.800 1.00 4.33 H new ATOM 0 HD2 TYR B 17 20.752 24.434 16.166 1.00 24.11 H new ATOM 0 HE1 TYR B 17 21.210 29.073 14.593 1.00 21.33 H new ATOM 0 HE2 TYR B 17 19.189 26.156 16.958 1.00 12.34 H new ATOM 0 HH TYR B 17 18.586 28.278 16.883 1.00 40.42 H new ATOM 1818 N LEU B 18 23.376 22.791 11.337 1.00 12.20 N ATOM 1819 CA LEU B 18 24.059 21.599 10.845 1.00 24.40 C ATOM 1820 C LEU B 18 24.815 21.897 9.555 1.00 52.21 C ATOM 1821 O LEU B 18 24.614 22.941 8.933 1.00 53.11 O ATOM 1822 CB LEU B 18 23.053 20.470 10.611 1.00 20.43 C ATOM 1823 CG LEU B 18 22.064 20.681 9.465 1.00 13.14 C ATOM 1824 CD1 LEU B 18 22.674 20.240 8.144 1.00 73.11 C ATOM 1825 CD2 LEU B 18 20.769 19.927 9.734 1.00 4.13 C ATOM 0 H LEU B 18 22.684 23.176 10.694 1.00 12.20 H new ATOM 0 HA LEU B 18 24.778 21.285 11.601 1.00 24.40 H new ATOM 0 HB2 LEU B 18 23.607 19.550 10.422 1.00 20.43 H new ATOM 0 HB3 LEU B 18 22.487 20.318 11.530 1.00 20.43 H new ATOM 0 HG LEU B 18 21.836 21.745 9.399 1.00 13.14 H new ATOM 0 HD11 LEU B 18 21.955 20.398 7.340 1.00 73.11 H new ATOM 0 HD12 LEU B 18 23.573 20.823 7.946 1.00 73.11 H new ATOM 0 HD13 LEU B 18 22.932 19.182 8.197 1.00 73.11 H new ATOM 0 HD21 LEU B 18 20.076 20.088 8.908 1.00 4.13 H new ATOM 0 HD22 LEU B 18 20.981 18.862 9.827 1.00 4.13 H new ATOM 0 HD23 LEU B 18 20.322 20.291 10.659 1.00 4.13 H new ATOM 1837 N SER B 19 25.683 20.973 9.155 1.00 12.41 N ATOM 1838 CA SER B 19 26.470 21.139 7.939 1.00 64.34 C ATOM 1839 C SER B 19 25.922 20.265 6.815 1.00 33.32 C ATOM 1840 O SER B 19 25.192 19.305 7.060 1.00 1.23 O ATOM 1841 CB SER B 19 27.936 20.790 8.203 1.00 15.24 C ATOM 1842 OG SER B 19 28.648 21.913 8.691 1.00 63.44 O ATOM 0 H SER B 19 25.859 20.102 9.655 1.00 12.41 H new ATOM 0 HA SER B 19 26.402 22.182 7.631 1.00 64.34 H new ATOM 0 HB2 SER B 19 27.995 19.976 8.926 1.00 15.24 H new ATOM 0 HB3 SER B 19 28.399 20.433 7.283 1.00 15.24 H new ATOM 0 HG SER B 19 29.582 21.663 8.853 1.00 63.44 H new ATOM 1848 N ARG B 20 26.281 20.606 5.581 1.00 0.34 N ATOM 1849 CA ARG B 20 25.825 19.855 4.418 1.00 13.34 C ATOM 1850 C ARG B 20 26.092 18.363 4.595 1.00 61.45 C ATOM 1851 O ARG B 20 25.353 17.525 4.080 1.00 32.35 O ATOM 1852 CB ARG B 20 26.518 20.362 3.152 1.00 32.01 C ATOM 1853 CG ARG B 20 25.731 21.433 2.413 1.00 12.30 C ATOM 1854 CD ARG B 20 25.929 21.331 0.909 1.00 43.42 C ATOM 1855 NE ARG B 20 26.676 22.467 0.378 1.00 33.34 N ATOM 1856 CZ ARG B 20 26.197 23.706 0.333 1.00 13.22 C ATOM 1857 NH1 ARG B 20 24.979 23.965 0.787 1.00 45.34 N ATOM 1858 NH2 ARG B 20 26.938 24.687 -0.165 1.00 44.43 N ATOM 0 H ARG B 20 26.886 21.397 5.362 1.00 0.34 H new ATOM 0 HA ARG B 20 24.750 20.005 4.319 1.00 13.34 H new ATOM 0 HB2 ARG B 20 27.496 20.761 3.419 1.00 32.01 H new ATOM 0 HB3 ARG B 20 26.690 19.521 2.480 1.00 32.01 H new ATOM 0 HG2 ARG B 20 24.671 21.335 2.649 1.00 12.30 H new ATOM 0 HG3 ARG B 20 26.045 22.419 2.756 1.00 12.30 H new ATOM 0 HD2 ARG B 20 26.458 20.407 0.675 1.00 43.42 H new ATOM 0 HD3 ARG B 20 24.957 21.275 0.418 1.00 43.42 H new ATOM 0 HE ARG B 20 27.617 22.301 0.022 1.00 33.34 H new ATOM 0 HH11 ARG B 20 24.408 23.213 1.172 1.00 45.34 H new ATOM 0 HH12 ARG B 20 24.613 24.916 0.752 1.00 45.34 H new ATOM 0 HH21 ARG B 20 27.876 24.491 -0.514 1.00 44.43 H new ATOM 0 HH22 ARG B 20 26.570 25.638 -0.199 1.00 44.43 H new ATOM 1872 N GLN B 21 27.155 18.041 5.325 1.00 14.43 N ATOM 1873 CA GLN B 21 27.521 16.650 5.569 1.00 43.34 C ATOM 1874 C GLN B 21 26.563 16.001 6.562 1.00 62.14 C ATOM 1875 O GLN B 21 26.195 14.836 6.412 1.00 41.54 O ATOM 1876 CB GLN B 21 28.955 16.562 6.094 1.00 2.32 C ATOM 1877 CG GLN B 21 29.177 17.328 7.389 1.00 23.52 C ATOM 1878 CD GLN B 21 30.619 17.281 7.854 1.00 53.34 C ATOM 1879 OE1 GLN B 21 31.545 17.446 7.061 1.00 14.14 O ATOM 1880 NE2 GLN B 21 30.816 17.055 9.148 1.00 71.20 N ATOM 0 H GLN B 21 27.778 18.723 5.758 1.00 14.43 H new ATOM 0 HA GLN B 21 27.454 16.112 4.623 1.00 43.34 H new ATOM 0 HB2 GLN B 21 29.211 15.515 6.253 1.00 2.32 H new ATOM 0 HB3 GLN B 21 29.636 16.945 5.334 1.00 2.32 H new ATOM 0 HG2 GLN B 21 28.878 18.367 7.248 1.00 23.52 H new ATOM 0 HG3 GLN B 21 28.535 16.914 8.166 1.00 23.52 H new ATOM 0 HE21 GLN B 21 30.018 16.924 9.770 1.00 71.20 H new ATOM 0 HE22 GLN B 21 31.765 17.013 9.520 1.00 71.20 H new ATOM 1889 N GLN B 22 26.163 16.763 7.575 1.00 33.40 N ATOM 1890 CA GLN B 22 25.247 16.260 8.594 1.00 53.02 C ATOM 1891 C GLN B 22 23.910 15.864 7.976 1.00 53.44 C ATOM 1892 O GLN B 22 23.400 14.770 8.223 1.00 72.23 O ATOM 1893 CB GLN B 22 25.029 17.316 9.678 1.00 4.03 C ATOM 1894 CG GLN B 22 26.308 17.736 10.384 1.00 5.22 C ATOM 1895 CD GLN B 22 26.836 16.667 11.320 1.00 40.14 C ATOM 1896 OE1 GLN B 22 27.791 15.960 10.996 1.00 24.31 O ATOM 1897 NE2 GLN B 22 26.217 16.543 12.488 1.00 70.34 N ATOM 0 H GLN B 22 26.458 17.730 7.713 1.00 33.40 H new ATOM 0 HA GLN B 22 25.694 15.374 9.044 1.00 53.02 H new ATOM 0 HB2 GLN B 22 24.566 18.195 9.229 1.00 4.03 H new ATOM 0 HB3 GLN B 22 24.327 16.928 10.416 1.00 4.03 H new ATOM 0 HG2 GLN B 22 27.069 17.970 9.640 1.00 5.22 H new ATOM 0 HG3 GLN B 22 26.123 18.649 10.949 1.00 5.22 H new ATOM 0 HE21 GLN B 22 25.430 17.150 12.715 1.00 70.34 H new ATOM 0 HE22 GLN B 22 26.529 15.840 13.158 1.00 70.34 H new ATOM 1906 N LEU B 23 23.347 16.760 7.173 1.00 15.24 N ATOM 1907 CA LEU B 23 22.068 16.504 6.520 1.00 60.42 C ATOM 1908 C LEU B 23 22.217 15.457 5.421 1.00 74.31 C ATOM 1909 O LEU B 23 21.360 14.589 5.256 1.00 34.01 O ATOM 1910 CB LEU B 23 21.504 17.800 5.932 1.00 62.13 C ATOM 1911 CG LEU B 23 20.451 17.637 4.836 1.00 44.52 C ATOM 1912 CD1 LEU B 23 19.355 16.683 5.285 1.00 33.53 C ATOM 1913 CD2 LEU B 23 19.862 18.987 4.457 1.00 12.23 C ATOM 0 H LEU B 23 23.756 17.670 6.959 1.00 15.24 H new ATOM 0 HA LEU B 23 21.376 16.121 7.270 1.00 60.42 H new ATOM 0 HB2 LEU B 23 21.068 18.384 6.743 1.00 62.13 H new ATOM 0 HB3 LEU B 23 22.332 18.383 5.529 1.00 62.13 H new ATOM 0 HG LEU B 23 20.935 17.214 3.956 1.00 44.52 H new ATOM 0 HD11 LEU B 23 18.615 16.580 4.492 1.00 33.53 H new ATOM 0 HD12 LEU B 23 19.789 15.708 5.505 1.00 33.53 H new ATOM 0 HD13 LEU B 23 18.874 17.077 6.181 1.00 33.53 H new ATOM 0 HD21 LEU B 23 19.114 18.851 3.676 1.00 12.23 H new ATOM 0 HD22 LEU B 23 19.395 19.439 5.332 1.00 12.23 H new ATOM 0 HD23 LEU B 23 20.654 19.640 4.091 1.00 12.23 H new ATOM 1925 N ALA B 24 23.312 15.543 4.673 1.00 31.24 N ATOM 1926 CA ALA B 24 23.576 14.601 3.593 1.00 75.43 C ATOM 1927 C ALA B 24 23.513 13.161 4.093 1.00 63.14 C ATOM 1928 O ALA B 24 23.232 12.240 3.325 1.00 31.23 O ATOM 1929 CB ALA B 24 24.934 14.884 2.965 1.00 65.45 C ATOM 0 H ALA B 24 24.031 16.256 4.796 1.00 31.24 H new ATOM 0 HA ALA B 24 22.803 14.730 2.835 1.00 75.43 H new ATOM 0 HB1 ALA B 24 25.118 14.173 2.160 1.00 65.45 H new ATOM 0 HB2 ALA B 24 24.945 15.897 2.564 1.00 65.45 H new ATOM 0 HB3 ALA B 24 25.712 14.785 3.721 1.00 65.45 H new ATOM 1935 N ASP B 25 23.775 12.975 5.382 1.00 53.33 N ATOM 1936 CA ASP B 25 23.747 11.647 5.983 1.00 63.20 C ATOM 1937 C ASP B 25 22.372 11.345 6.571 1.00 41.34 C ATOM 1938 O ASP B 25 21.979 10.185 6.694 1.00 55.50 O ATOM 1939 CB ASP B 25 24.816 11.534 7.071 1.00 35.03 C ATOM 1940 CG ASP B 25 26.083 10.870 6.572 1.00 31.34 C ATOM 1941 OD1 ASP B 25 26.625 11.323 5.541 1.00 75.51 O ATOM 1942 OD2 ASP B 25 26.534 9.897 7.211 1.00 43.25 O ATOM 0 H ASP B 25 24.009 13.727 6.030 1.00 53.33 H new ATOM 0 HA ASP B 25 23.956 10.917 5.201 1.00 63.20 H new ATOM 0 HB2 ASP B 25 25.055 12.529 7.446 1.00 35.03 H new ATOM 0 HB3 ASP B 25 24.417 10.964 7.910 1.00 35.03 H new ATOM 1947 N LEU B 26 21.645 12.397 6.931 1.00 71.41 N ATOM 1948 CA LEU B 26 20.314 12.246 7.507 1.00 64.24 C ATOM 1949 C LEU B 26 19.307 11.816 6.445 1.00 43.13 C ATOM 1950 O LEU B 26 18.231 11.306 6.762 1.00 10.22 O ATOM 1951 CB LEU B 26 19.863 13.558 8.152 1.00 4.31 C ATOM 1952 CG LEU B 26 19.792 13.566 9.680 1.00 10.30 C ATOM 1953 CD1 LEU B 26 20.813 14.535 10.257 1.00 61.54 C ATOM 1954 CD2 LEU B 26 18.389 13.924 10.147 1.00 62.25 C ATOM 0 H LEU B 26 21.955 13.364 6.834 1.00 71.41 H new ATOM 0 HA LEU B 26 20.362 11.471 8.272 1.00 64.24 H new ATOM 0 HB2 LEU B 26 20.544 14.348 7.836 1.00 4.31 H new ATOM 0 HB3 LEU B 26 18.878 13.812 7.761 1.00 4.31 H new ATOM 0 HG LEU B 26 20.028 12.565 10.041 1.00 10.30 H new ATOM 0 HD11 LEU B 26 20.748 14.527 11.345 1.00 61.54 H new ATOM 0 HD12 LEU B 26 21.815 14.233 9.951 1.00 61.54 H new ATOM 0 HD13 LEU B 26 20.609 15.540 9.889 1.00 61.54 H new ATOM 0 HD21 LEU B 26 18.357 13.925 11.237 1.00 62.25 H new ATOM 0 HD22 LEU B 26 18.123 14.914 9.776 1.00 62.25 H new ATOM 0 HD23 LEU B 26 17.680 13.190 9.764 1.00 62.25 H new ATOM 1966 N THR B 27 19.662 12.024 5.181 1.00 72.41 N ATOM 1967 CA THR B 27 18.791 11.658 4.072 1.00 53.05 C ATOM 1968 C THR B 27 19.464 10.640 3.157 1.00 51.22 C ATOM 1969 O THR B 27 18.822 10.052 2.289 1.00 32.24 O ATOM 1970 CB THR B 27 18.390 12.892 3.241 1.00 52.21 C ATOM 1971 OG1 THR B 27 19.549 13.465 2.626 1.00 2.43 O ATOM 1972 CG2 THR B 27 17.705 13.932 4.114 1.00 64.34 C ATOM 0 H THR B 27 20.548 12.445 4.900 1.00 72.41 H new ATOM 0 HA THR B 27 17.895 11.215 4.507 1.00 53.05 H new ATOM 0 HB THR B 27 17.690 12.572 2.469 1.00 52.21 H new ATOM 0 HG1 THR B 27 20.143 13.824 3.318 1.00 2.43 H new ATOM 0 HG21 THR B 27 17.431 14.794 3.506 1.00 64.34 H new ATOM 0 HG22 THR B 27 16.808 13.501 4.557 1.00 64.34 H new ATOM 0 HG23 THR B 27 18.385 14.248 4.905 1.00 64.34 H new ATOM 1980 N GLY B 28 20.763 10.438 3.359 1.00 31.12 N ATOM 1981 CA GLY B 28 21.501 9.490 2.544 1.00 0.51 C ATOM 1982 C GLY B 28 22.081 10.127 1.296 1.00 21.43 C ATOM 1983 O GLY B 28 22.849 9.496 0.570 1.00 31.15 O ATOM 0 H GLY B 28 21.317 10.913 4.072 1.00 31.12 H new ATOM 0 HA2 GLY B 28 22.308 9.057 3.136 1.00 0.51 H new ATOM 0 HA3 GLY B 28 20.841 8.671 2.257 1.00 0.51 H new ATOM 1987 N VAL B 29 21.712 11.379 1.046 1.00 41.33 N ATOM 1988 CA VAL B 29 22.200 12.101 -0.123 1.00 64.40 C ATOM 1989 C VAL B 29 23.715 12.268 -0.072 1.00 1.32 C ATOM 1990 O VAL B 29 24.296 12.561 0.972 1.00 12.41 O ATOM 1991 CB VAL B 29 21.544 13.489 -0.239 1.00 61.44 C ATOM 1992 CG1 VAL B 29 22.518 14.491 -0.843 1.00 50.43 C ATOM 1993 CG2 VAL B 29 20.269 13.409 -1.065 1.00 55.14 C ATOM 0 H VAL B 29 21.077 11.915 1.637 1.00 41.33 H new ATOM 0 HA VAL B 29 21.932 11.507 -0.997 1.00 64.40 H new ATOM 0 HB VAL B 29 21.280 13.832 0.762 1.00 61.44 H new ATOM 0 HG11 VAL B 29 22.037 15.466 -0.917 1.00 50.43 H new ATOM 0 HG12 VAL B 29 23.400 14.569 -0.208 1.00 50.43 H new ATOM 0 HG13 VAL B 29 22.815 14.156 -1.837 1.00 50.43 H new ATOM 0 HG21 VAL B 29 19.819 14.399 -1.136 1.00 55.14 H new ATOM 0 HG22 VAL B 29 20.505 13.045 -2.065 1.00 55.14 H new ATOM 0 HG23 VAL B 29 19.568 12.725 -0.586 1.00 55.14 H new ATOM 2003 N PRO B 30 24.369 12.078 -1.228 1.00 64.31 N ATOM 2004 CA PRO B 30 25.826 12.204 -1.342 1.00 44.21 C ATOM 2005 C PRO B 30 26.295 13.647 -1.199 1.00 55.44 C ATOM 2006 O PRO B 30 25.807 14.541 -1.891 1.00 52.10 O ATOM 2007 CB PRO B 30 26.117 11.683 -2.751 1.00 72.05 C ATOM 2008 CG PRO B 30 24.852 11.906 -3.506 1.00 25.14 C ATOM 2009 CD PRO B 30 23.740 11.727 -2.511 1.00 2.43 C ATOM 0 HA PRO B 30 26.346 11.658 -0.555 1.00 44.21 H new ATOM 0 HB2 PRO B 30 26.950 12.218 -3.207 1.00 72.05 H new ATOM 0 HB3 PRO B 30 26.387 10.627 -2.735 1.00 72.05 H new ATOM 0 HG2 PRO B 30 24.829 12.905 -3.942 1.00 25.14 H new ATOM 0 HG3 PRO B 30 24.758 11.197 -4.328 1.00 25.14 H new ATOM 0 HD2 PRO B 30 22.893 12.376 -2.734 1.00 2.43 H new ATOM 0 HD3 PRO B 30 23.365 10.704 -2.508 1.00 2.43 H new ATOM 2017 N TYR B 31 27.247 13.869 -0.297 1.00 55.04 N ATOM 2018 CA TYR B 31 27.781 15.205 -0.063 1.00 73.24 C ATOM 2019 C TYR B 31 28.553 15.703 -1.280 1.00 50.10 C ATOM 2020 O TYR B 31 28.669 16.908 -1.505 1.00 14.12 O ATOM 2021 CB TYR B 31 28.689 15.204 1.167 1.00 71.51 C ATOM 2022 CG TYR B 31 29.326 16.546 1.450 1.00 71.30 C ATOM 2023 CD1 TYR B 31 30.491 16.936 0.801 1.00 11.35 C ATOM 2024 CD2 TYR B 31 28.762 17.425 2.367 1.00 4.21 C ATOM 2025 CE1 TYR B 31 31.077 18.161 1.057 1.00 75.30 C ATOM 2026 CE2 TYR B 31 29.340 18.653 2.628 1.00 23.24 C ATOM 2027 CZ TYR B 31 30.497 19.016 1.971 1.00 13.24 C ATOM 2028 OH TYR B 31 31.076 20.237 2.228 1.00 2.20 O ATOM 0 H TYR B 31 27.664 13.141 0.283 1.00 55.04 H new ATOM 0 HA TYR B 31 26.943 15.879 0.113 1.00 73.24 H new ATOM 0 HB2 TYR B 31 28.108 14.896 2.037 1.00 71.51 H new ATOM 0 HB3 TYR B 31 29.474 14.461 1.028 1.00 71.51 H new ATOM 0 HD1 TYR B 31 30.947 16.270 0.084 1.00 11.35 H new ATOM 0 HD2 TYR B 31 27.857 17.144 2.884 1.00 4.21 H new ATOM 0 HE1 TYR B 31 31.984 18.447 0.545 1.00 75.30 H new ATOM 0 HE2 TYR B 31 28.888 19.325 3.343 1.00 23.24 H new ATOM 0 HH TYR B 31 30.543 20.718 2.895 1.00 2.20 H new ATOM 2038 N GLY B 32 29.081 14.768 -2.063 1.00 45.13 N ATOM 2039 CA GLY B 32 29.836 15.130 -3.248 1.00 74.01 C ATOM 2040 C GLY B 32 28.987 15.845 -4.280 1.00 73.43 C ATOM 2041 O GLY B 32 29.486 16.678 -5.038 1.00 1.33 O ATOM 0 H GLY B 32 28.999 13.765 -1.898 1.00 45.13 H new ATOM 0 HA2 GLY B 32 30.671 15.770 -2.962 1.00 74.01 H new ATOM 0 HA3 GLY B 32 30.262 14.231 -3.693 1.00 74.01 H new ATOM 2045 N THR B 33 27.698 15.521 -4.312 1.00 10.04 N ATOM 2046 CA THR B 33 26.778 16.136 -5.260 1.00 11.04 C ATOM 2047 C THR B 33 25.862 17.137 -4.567 1.00 2.51 C ATOM 2048 O THR B 33 25.360 18.073 -5.192 1.00 23.25 O ATOM 2049 CB THR B 33 25.916 15.077 -5.975 1.00 3.23 C ATOM 2050 OG1 THR B 33 26.731 13.969 -6.371 1.00 14.15 O ATOM 2051 CG2 THR B 33 25.231 15.671 -7.196 1.00 42.22 C ATOM 0 H THR B 33 27.268 14.835 -3.691 1.00 10.04 H new ATOM 0 HA THR B 33 27.387 16.657 -5.999 1.00 11.04 H new ATOM 0 HB THR B 33 25.150 14.734 -5.280 1.00 3.23 H new ATOM 0 HG1 THR B 33 26.176 13.300 -6.823 1.00 14.15 H new ATOM 0 HG21 THR B 33 24.629 14.905 -7.684 1.00 42.22 H new ATOM 0 HG22 THR B 33 24.589 16.496 -6.888 1.00 42.22 H new ATOM 0 HG23 THR B 33 25.984 16.039 -7.893 1.00 42.22 H new ATOM 2059 N LEU B 34 25.646 16.936 -3.271 1.00 5.42 N ATOM 2060 CA LEU B 34 24.789 17.822 -2.491 1.00 11.23 C ATOM 2061 C LEU B 34 25.283 19.263 -2.569 1.00 53.41 C ATOM 2062 O LEU B 34 24.487 20.202 -2.609 1.00 25.43 O ATOM 2063 CB LEU B 34 24.742 17.366 -1.032 1.00 44.11 C ATOM 2064 CG LEU B 34 24.025 18.301 -0.059 1.00 20.43 C ATOM 2065 CD1 LEU B 34 22.518 18.120 -0.159 1.00 30.33 C ATOM 2066 CD2 LEU B 34 24.501 18.055 1.366 1.00 54.42 C ATOM 0 H LEU B 34 26.053 16.167 -2.738 1.00 5.42 H new ATOM 0 HA LEU B 34 23.784 17.777 -2.911 1.00 11.23 H new ATOM 0 HB2 LEU B 34 24.256 16.391 -0.993 1.00 44.11 H new ATOM 0 HB3 LEU B 34 25.765 17.226 -0.683 1.00 44.11 H new ATOM 0 HG LEU B 34 24.266 19.329 -0.328 1.00 20.43 H new ATOM 0 HD11 LEU B 34 22.023 18.794 0.541 1.00 30.33 H new ATOM 0 HD12 LEU B 34 22.191 18.347 -1.174 1.00 30.33 H new ATOM 0 HD13 LEU B 34 22.258 17.090 0.084 1.00 30.33 H new ATOM 0 HD21 LEU B 34 23.980 18.730 2.045 1.00 54.42 H new ATOM 0 HD22 LEU B 34 24.290 17.023 1.647 1.00 54.42 H new ATOM 0 HD23 LEU B 34 25.574 18.236 1.427 1.00 54.42 H new ATOM 2078 N SER B 35 26.601 19.432 -2.593 1.00 61.31 N ATOM 2079 CA SER B 35 27.201 20.759 -2.665 1.00 34.14 C ATOM 2080 C SER B 35 26.616 21.557 -3.826 1.00 4.52 C ATOM 2081 O SER B 35 26.522 22.783 -3.766 1.00 30.41 O ATOM 2082 CB SER B 35 28.719 20.648 -2.820 1.00 14.21 C ATOM 2083 OG SER B 35 29.246 21.775 -3.498 1.00 62.41 O ATOM 0 H SER B 35 27.274 18.666 -2.564 1.00 61.31 H new ATOM 0 HA SER B 35 26.976 21.284 -1.737 1.00 34.14 H new ATOM 0 HB2 SER B 35 29.183 20.561 -1.837 1.00 14.21 H new ATOM 0 HB3 SER B 35 28.966 19.740 -3.370 1.00 14.21 H new ATOM 0 HG SER B 35 29.255 21.602 -4.463 1.00 62.41 H new ATOM 2089 N TYR B 36 26.227 20.853 -4.883 1.00 41.34 N ATOM 2090 CA TYR B 36 25.654 21.494 -6.060 1.00 34.30 C ATOM 2091 C TYR B 36 24.133 21.555 -5.962 1.00 45.21 C ATOM 2092 O TYR B 36 23.489 22.378 -6.613 1.00 45.01 O ATOM 2093 CB TYR B 36 26.065 20.741 -7.327 1.00 40.31 C ATOM 2094 CG TYR B 36 27.532 20.378 -7.367 1.00 34.30 C ATOM 2095 CD1 TYR B 36 28.505 21.290 -6.977 1.00 32.43 C ATOM 2096 CD2 TYR B 36 27.944 19.122 -7.793 1.00 45.14 C ATOM 2097 CE1 TYR B 36 29.846 20.962 -7.013 1.00 62.53 C ATOM 2098 CE2 TYR B 36 29.284 18.784 -7.830 1.00 64.54 C ATOM 2099 CZ TYR B 36 30.231 19.708 -7.438 1.00 62.20 C ATOM 2100 OH TYR B 36 31.566 19.376 -7.475 1.00 51.03 O ATOM 0 H TYR B 36 26.298 19.838 -4.949 1.00 41.34 H new ATOM 0 HA TYR B 36 26.037 22.513 -6.110 1.00 34.30 H new ATOM 0 HB2 TYR B 36 25.472 19.830 -7.407 1.00 40.31 H new ATOM 0 HB3 TYR B 36 25.827 21.353 -8.197 1.00 40.31 H new ATOM 0 HD1 TYR B 36 28.208 22.272 -6.640 1.00 32.43 H new ATOM 0 HD2 TYR B 36 27.205 18.397 -8.101 1.00 45.14 H new ATOM 0 HE1 TYR B 36 30.590 21.684 -6.710 1.00 62.53 H new ATOM 0 HE2 TYR B 36 29.588 17.803 -8.164 1.00 64.54 H new ATOM 0 HH TYR B 36 31.665 18.456 -7.797 1.00 51.03 H new ATOM 2110 N TYR B 37 23.564 20.677 -5.143 1.00 23.03 N ATOM 2111 CA TYR B 37 22.119 20.628 -4.959 1.00 71.53 C ATOM 2112 C TYR B 37 21.616 21.888 -4.260 1.00 1.34 C ATOM 2113 O TYR B 37 20.907 22.700 -4.854 1.00 12.02 O ATOM 2114 CB TYR B 37 21.728 19.391 -4.149 1.00 44.25 C ATOM 2115 CG TYR B 37 21.542 18.150 -4.992 1.00 22.43 C ATOM 2116 CD1 TYR B 37 22.275 17.960 -6.157 1.00 52.14 C ATOM 2117 CD2 TYR B 37 20.633 17.166 -4.624 1.00 15.42 C ATOM 2118 CE1 TYR B 37 22.108 16.829 -6.930 1.00 2.53 C ATOM 2119 CE2 TYR B 37 20.460 16.030 -5.390 1.00 0.41 C ATOM 2120 CZ TYR B 37 21.199 15.866 -6.543 1.00 71.12 C ATOM 2121 OH TYR B 37 21.030 14.736 -7.310 1.00 2.50 O ATOM 0 H TYR B 37 24.082 19.989 -4.596 1.00 23.03 H new ATOM 0 HA TYR B 37 21.655 20.570 -5.944 1.00 71.53 H new ATOM 0 HB2 TYR B 37 22.496 19.200 -3.400 1.00 44.25 H new ATOM 0 HB3 TYR B 37 20.803 19.597 -3.611 1.00 44.25 H new ATOM 0 HD1 TYR B 37 22.988 18.711 -6.463 1.00 52.14 H new ATOM 0 HD2 TYR B 37 20.051 17.292 -3.723 1.00 15.42 H new ATOM 0 HE1 TYR B 37 22.686 16.698 -7.833 1.00 2.53 H new ATOM 0 HE2 TYR B 37 19.750 15.274 -5.088 1.00 0.41 H new ATOM 0 HH TYR B 37 20.354 14.159 -6.897 1.00 2.50 H new ATOM 2131 N GLU B 38 21.988 22.041 -2.993 1.00 43.22 N ATOM 2132 CA GLU B 38 21.574 23.202 -2.211 1.00 44.31 C ATOM 2133 C GLU B 38 22.129 24.489 -2.813 1.00 24.45 C ATOM 2134 O GLU B 38 21.663 25.585 -2.502 1.00 42.22 O ATOM 2135 CB GLU B 38 22.043 23.061 -0.762 1.00 11.21 C ATOM 2136 CG GLU B 38 21.818 21.675 -0.181 1.00 54.50 C ATOM 2137 CD GLU B 38 21.653 21.694 1.327 1.00 35.11 C ATOM 2138 OE1 GLU B 38 20.697 22.337 1.810 1.00 63.32 O ATOM 2139 OE2 GLU B 38 22.478 21.067 2.023 1.00 70.20 O ATOM 0 H GLU B 38 22.574 21.378 -2.486 1.00 43.22 H new ATOM 0 HA GLU B 38 20.485 23.252 -2.230 1.00 44.31 H new ATOM 0 HB2 GLU B 38 23.105 23.300 -0.708 1.00 11.21 H new ATOM 0 HB3 GLU B 38 21.520 23.793 -0.147 1.00 11.21 H new ATOM 0 HG2 GLU B 38 20.930 21.235 -0.634 1.00 54.50 H new ATOM 0 HG3 GLU B 38 22.660 21.034 -0.443 1.00 54.50 H new ATOM 2146 N SER B 39 23.129 24.348 -3.679 1.00 53.34 N ATOM 2147 CA SER B 39 23.750 25.500 -4.322 1.00 70.11 C ATOM 2148 C SER B 39 22.921 25.970 -5.513 1.00 24.54 C ATOM 2149 O SER B 39 23.084 27.090 -5.995 1.00 41.42 O ATOM 2150 CB SER B 39 25.168 25.151 -4.780 1.00 1.22 C ATOM 2151 OG SER B 39 26.104 25.347 -3.733 1.00 11.15 O ATOM 0 H SER B 39 23.525 23.448 -3.951 1.00 53.34 H new ATOM 0 HA SER B 39 23.799 26.309 -3.593 1.00 70.11 H new ATOM 0 HB2 SER B 39 25.201 24.114 -5.113 1.00 1.22 H new ATOM 0 HB3 SER B 39 25.440 25.769 -5.636 1.00 1.22 H new ATOM 0 HG SER B 39 26.480 24.483 -3.464 1.00 11.15 H new ATOM 2157 N GLY B 40 22.029 25.103 -5.985 1.00 41.23 N ATOM 2158 CA GLY B 40 21.187 25.447 -7.115 1.00 73.32 C ATOM 2159 C GLY B 40 21.906 25.297 -8.441 1.00 71.50 C ATOM 2160 O GLY B 40 21.467 25.835 -9.458 1.00 64.32 O ATOM 0 H GLY B 40 21.875 24.169 -5.604 1.00 41.23 H new ATOM 0 HA2 GLY B 40 20.302 24.811 -7.111 1.00 73.32 H new ATOM 0 HA3 GLY B 40 20.841 26.475 -7.007 1.00 73.32 H new ATOM 2164 N ARG B 41 23.016 24.565 -8.431 1.00 73.33 N ATOM 2165 CA ARG B 41 23.799 24.348 -9.642 1.00 73.31 C ATOM 2166 C ARG B 41 22.983 23.599 -10.691 1.00 30.24 C ATOM 2167 O ARG B 41 23.047 23.912 -11.880 1.00 23.15 O ATOM 2168 CB ARG B 41 25.073 23.566 -9.317 1.00 2.45 C ATOM 2169 CG ARG B 41 26.275 23.987 -10.146 1.00 71.20 C ATOM 2170 CD ARG B 41 27.323 24.685 -9.293 1.00 3.45 C ATOM 2171 NE ARG B 41 28.598 24.817 -9.993 1.00 73.34 N ATOM 2172 CZ ARG B 41 28.813 25.693 -10.968 1.00 44.45 C ATOM 2173 NH1 ARG B 41 27.843 26.508 -11.358 1.00 73.10 N ATOM 2174 NH2 ARG B 41 30.002 25.753 -11.556 1.00 72.43 N ATOM 0 H ARG B 41 23.393 24.113 -7.598 1.00 73.33 H new ATOM 0 HA ARG B 41 24.072 25.322 -10.048 1.00 73.31 H new ATOM 0 HB2 ARG B 41 25.308 23.694 -8.260 1.00 2.45 H new ATOM 0 HB3 ARG B 41 24.887 22.504 -9.475 1.00 2.45 H new ATOM 0 HG2 ARG B 41 26.716 23.111 -10.621 1.00 71.20 H new ATOM 0 HG3 ARG B 41 25.952 24.654 -10.945 1.00 71.20 H new ATOM 0 HD2 ARG B 41 26.961 25.673 -9.010 1.00 3.45 H new ATOM 0 HD3 ARG B 41 27.472 24.124 -8.370 1.00 3.45 H new ATOM 0 HE ARG B 41 29.365 24.203 -9.718 1.00 73.34 H new ATOM 0 HH11 ARG B 41 26.928 26.464 -10.909 1.00 73.10 H new ATOM 0 HH12 ARG B 41 28.011 27.180 -12.107 1.00 73.10 H new ATOM 0 HH21 ARG B 41 30.750 25.126 -11.259 1.00 72.43 H new ATOM 0 HH22 ARG B 41 30.167 26.426 -12.305 1.00 72.43 H new ATOM 2188 N SER B 42 22.217 22.609 -10.243 1.00 53.33 N ATOM 2189 CA SER B 42 21.392 21.813 -11.143 1.00 23.23 C ATOM 2190 C SER B 42 20.106 21.371 -10.452 1.00 3.44 C ATOM 2191 O SER B 42 20.139 20.747 -9.390 1.00 55.33 O ATOM 2192 CB SER B 42 22.168 20.589 -11.632 1.00 33.02 C ATOM 2193 OG SER B 42 22.188 20.530 -13.048 1.00 14.24 O ATOM 0 H SER B 42 22.151 22.339 -9.261 1.00 53.33 H new ATOM 0 HA SER B 42 21.129 22.434 -12.000 1.00 23.23 H new ATOM 0 HB2 SER B 42 23.189 20.626 -11.252 1.00 33.02 H new ATOM 0 HB3 SER B 42 21.712 19.683 -11.234 1.00 33.02 H new ATOM 0 HG SER B 42 22.691 19.740 -13.335 1.00 14.24 H new ATOM 2199 N THR B 43 18.971 21.699 -11.062 1.00 54.02 N ATOM 2200 CA THR B 43 17.673 21.338 -10.507 1.00 44.13 C ATOM 2201 C THR B 43 17.588 19.839 -10.236 1.00 62.42 C ATOM 2202 O THR B 43 17.545 19.020 -11.154 1.00 42.45 O ATOM 2203 CB THR B 43 16.525 21.743 -11.451 1.00 15.34 C ATOM 2204 OG1 THR B 43 17.023 22.593 -12.490 1.00 15.25 O ATOM 2205 CG2 THR B 43 15.423 22.460 -10.686 1.00 51.13 C ATOM 0 H THR B 43 18.925 22.214 -11.941 1.00 54.02 H new ATOM 0 HA THR B 43 17.570 21.881 -9.568 1.00 44.13 H new ATOM 0 HB THR B 43 16.109 20.837 -11.892 1.00 15.34 H new ATOM 0 HG1 THR B 43 16.288 22.845 -13.087 1.00 15.25 H new ATOM 0 HG21 THR B 43 14.623 22.736 -11.373 1.00 51.13 H new ATOM 0 HG22 THR B 43 15.027 21.800 -9.915 1.00 51.13 H new ATOM 0 HG23 THR B 43 15.828 23.359 -10.221 1.00 51.13 H new ATOM 2213 N PRO B 44 17.563 19.471 -8.947 1.00 34.10 N ATOM 2214 CA PRO B 44 17.482 18.068 -8.527 1.00 64.22 C ATOM 2215 C PRO B 44 16.122 17.449 -8.832 1.00 65.12 C ATOM 2216 O PRO B 44 15.157 18.142 -9.159 1.00 43.23 O ATOM 2217 CB PRO B 44 17.710 18.138 -7.014 1.00 42.35 C ATOM 2218 CG PRO B 44 17.279 19.511 -6.629 1.00 43.14 C ATOM 2219 CD PRO B 44 17.611 20.394 -7.801 1.00 4.14 C ATOM 0 HA PRO B 44 18.203 17.443 -9.053 1.00 64.22 H new ATOM 0 HB2 PRO B 44 17.128 17.379 -6.491 1.00 42.35 H new ATOM 0 HB3 PRO B 44 18.757 17.967 -6.763 1.00 42.35 H new ATOM 0 HG2 PRO B 44 16.211 19.538 -6.410 1.00 43.14 H new ATOM 0 HG3 PRO B 44 17.797 19.845 -5.730 1.00 43.14 H new ATOM 0 HD2 PRO B 44 16.892 21.206 -7.909 1.00 4.14 H new ATOM 0 HD3 PRO B 44 18.595 20.851 -7.694 1.00 4.14 H new ATOM 2227 N PRO B 45 16.041 16.115 -8.724 1.00 22.42 N ATOM 2228 CA PRO B 45 14.803 15.374 -8.983 1.00 43.51 C ATOM 2229 C PRO B 45 13.743 15.623 -7.915 1.00 62.05 C ATOM 2230 O PRO B 45 13.967 16.376 -6.967 1.00 14.40 O ATOM 2231 CB PRO B 45 15.254 13.911 -8.958 1.00 65.34 C ATOM 2232 CG PRO B 45 16.473 13.905 -8.103 1.00 42.52 C ATOM 2233 CD PRO B 45 17.151 15.227 -8.338 1.00 44.51 C ATOM 0 HA PRO B 45 14.337 15.675 -9.921 1.00 43.51 H new ATOM 0 HB2 PRO B 45 14.479 13.265 -8.546 1.00 65.34 H new ATOM 0 HB3 PRO B 45 15.473 13.547 -9.962 1.00 65.34 H new ATOM 0 HG2 PRO B 45 16.212 13.782 -7.052 1.00 42.52 H new ATOM 0 HG3 PRO B 45 17.131 13.077 -8.367 1.00 42.52 H new ATOM 0 HD2 PRO B 45 17.658 15.584 -7.441 1.00 44.51 H new ATOM 0 HD3 PRO B 45 17.903 15.159 -9.124 1.00 44.51 H new ATOM 2241 N THR B 46 12.587 14.986 -8.075 1.00 11.44 N ATOM 2242 CA THR B 46 11.492 15.139 -7.125 1.00 63.42 C ATOM 2243 C THR B 46 11.531 14.048 -6.061 1.00 5.13 C ATOM 2244 O THR B 46 11.006 14.223 -4.961 1.00 4.01 O ATOM 2245 CB THR B 46 10.125 15.101 -7.833 1.00 52.33 C ATOM 2246 OG1 THR B 46 10.062 16.126 -8.832 1.00 33.31 O ATOM 2247 CG2 THR B 46 8.993 15.289 -6.835 1.00 3.02 C ATOM 0 H THR B 46 12.385 14.359 -8.854 1.00 11.44 H new ATOM 0 HA THR B 46 11.620 16.111 -6.649 1.00 63.42 H new ATOM 0 HB THR B 46 10.013 14.125 -8.306 1.00 52.33 H new ATOM 0 HG1 THR B 46 10.748 15.962 -9.513 1.00 33.31 H new ATOM 0 HG21 THR B 46 8.037 15.258 -7.359 1.00 3.02 H new ATOM 0 HG22 THR B 46 9.026 14.491 -6.093 1.00 3.02 H new ATOM 0 HG23 THR B 46 9.103 16.252 -6.337 1.00 3.02 H new ATOM 2255 N ASP B 47 12.156 12.925 -6.394 1.00 1.43 N ATOM 2256 CA ASP B 47 12.265 11.806 -5.465 1.00 54.30 C ATOM 2257 C ASP B 47 13.271 12.112 -4.361 1.00 63.03 C ATOM 2258 O ASP B 47 13.112 11.672 -3.223 1.00 32.00 O ATOM 2259 CB ASP B 47 12.678 10.536 -6.211 1.00 61.00 C ATOM 2260 CG ASP B 47 14.176 10.447 -6.418 1.00 74.43 C ATOM 2261 OD1 ASP B 47 14.886 10.054 -5.468 1.00 4.34 O ATOM 2262 OD2 ASP B 47 14.640 10.771 -7.532 1.00 53.32 O ATOM 0 H ASP B 47 12.595 12.765 -7.301 1.00 1.43 H new ATOM 0 HA ASP B 47 11.288 11.649 -5.007 1.00 54.30 H new ATOM 0 HB2 ASP B 47 12.339 9.664 -5.652 1.00 61.00 H new ATOM 0 HB3 ASP B 47 12.178 10.508 -7.179 1.00 61.00 H new ATOM 2267 N VAL B 48 14.307 12.870 -4.706 1.00 74.22 N ATOM 2268 CA VAL B 48 15.340 13.236 -3.743 1.00 22.51 C ATOM 2269 C VAL B 48 14.940 14.476 -2.952 1.00 4.50 C ATOM 2270 O VAL B 48 15.064 14.510 -1.728 1.00 11.21 O ATOM 2271 CB VAL B 48 16.688 13.497 -4.439 1.00 0.11 C ATOM 2272 CG1 VAL B 48 17.734 13.947 -3.429 1.00 24.23 C ATOM 2273 CG2 VAL B 48 17.154 12.255 -5.182 1.00 54.21 C ATOM 0 H VAL B 48 14.454 13.242 -5.644 1.00 74.22 H new ATOM 0 HA VAL B 48 15.449 12.393 -3.060 1.00 22.51 H new ATOM 0 HB VAL B 48 16.551 14.298 -5.166 1.00 0.11 H new ATOM 0 HG11 VAL B 48 18.680 14.126 -3.940 1.00 24.23 H new ATOM 0 HG12 VAL B 48 17.402 14.866 -2.947 1.00 24.23 H new ATOM 0 HG13 VAL B 48 17.870 13.171 -2.676 1.00 24.23 H new ATOM 0 HG21 VAL B 48 18.108 12.458 -5.668 1.00 54.21 H new ATOM 0 HG22 VAL B 48 17.274 11.433 -4.477 1.00 54.21 H new ATOM 0 HG23 VAL B 48 16.414 11.983 -5.935 1.00 54.21 H new ATOM 2283 N MET B 49 14.459 15.493 -3.660 1.00 33.43 N ATOM 2284 CA MET B 49 14.039 16.736 -3.023 1.00 40.22 C ATOM 2285 C MET B 49 13.129 16.456 -1.832 1.00 4.22 C ATOM 2286 O MET B 49 13.331 16.994 -0.744 1.00 1.31 O ATOM 2287 CB MET B 49 13.317 17.632 -4.032 1.00 44.14 C ATOM 2288 CG MET B 49 12.754 18.904 -3.420 1.00 51.34 C ATOM 2289 SD MET B 49 10.991 19.107 -3.739 1.00 51.12 S ATOM 2290 CE MET B 49 10.296 17.997 -2.517 1.00 51.15 C ATOM 0 H MET B 49 14.350 15.481 -4.674 1.00 33.43 H new ATOM 0 HA MET B 49 14.930 17.250 -2.663 1.00 40.22 H new ATOM 0 HB2 MET B 49 14.010 17.898 -4.830 1.00 44.14 H new ATOM 0 HB3 MET B 49 12.504 17.068 -4.490 1.00 44.14 H new ATOM 0 HG2 MET B 49 12.925 18.891 -2.344 1.00 51.34 H new ATOM 0 HG3 MET B 49 13.293 19.764 -3.819 1.00 51.34 H new ATOM 0 HE1 MET B 49 9.276 18.304 -2.285 1.00 51.15 H new ATOM 0 HE2 MET B 49 10.288 16.981 -2.911 1.00 51.15 H new ATOM 0 HE3 MET B 49 10.900 18.030 -1.610 1.00 51.15 H new ATOM 2300 N MET B 50 12.126 15.610 -2.045 1.00 73.41 N ATOM 2301 CA MET B 50 11.185 15.258 -0.988 1.00 53.21 C ATOM 2302 C MET B 50 11.883 14.480 0.123 1.00 3.12 C ATOM 2303 O MET B 50 11.506 14.574 1.291 1.00 20.05 O ATOM 2304 CB MET B 50 10.030 14.433 -1.557 1.00 34.20 C ATOM 2305 CG MET B 50 10.439 13.035 -1.991 1.00 34.23 C ATOM 2306 SD MET B 50 9.293 12.314 -3.182 1.00 14.43 S ATOM 2307 CE MET B 50 7.725 12.879 -2.527 1.00 65.11 C ATOM 0 H MET B 50 11.944 15.156 -2.940 1.00 73.41 H new ATOM 0 HA MET B 50 10.788 16.182 -0.567 1.00 53.21 H new ATOM 0 HB2 MET B 50 9.244 14.356 -0.805 1.00 34.20 H new ATOM 0 HB3 MET B 50 9.604 14.960 -2.411 1.00 34.20 H new ATOM 0 HG2 MET B 50 11.436 13.072 -2.429 1.00 34.23 H new ATOM 0 HG3 MET B 50 10.500 12.390 -1.115 1.00 34.23 H new ATOM 0 HE1 MET B 50 6.914 12.310 -2.982 1.00 65.11 H new ATOM 0 HE2 MET B 50 7.708 12.734 -1.447 1.00 65.11 H new ATOM 0 HE3 MET B 50 7.597 13.938 -2.753 1.00 65.11 H new ATOM 2317 N ASN B 51 12.901 13.711 -0.248 1.00 10.42 N ATOM 2318 CA ASN B 51 13.651 12.916 0.717 1.00 73.03 C ATOM 2319 C ASN B 51 14.426 13.813 1.677 1.00 51.31 C ATOM 2320 O ASN B 51 14.913 13.358 2.711 1.00 61.22 O ATOM 2321 CB ASN B 51 14.613 11.971 -0.006 1.00 41.34 C ATOM 2322 CG ASN B 51 14.059 10.565 -0.129 1.00 53.40 C ATOM 2323 OD1 ASN B 51 14.746 9.586 0.168 1.00 40.12 O ATOM 2324 ND2 ASN B 51 12.811 10.456 -0.569 1.00 25.24 N ATOM 0 H ASN B 51 13.226 13.621 -1.211 1.00 10.42 H new ATOM 0 HA ASN B 51 12.939 12.326 1.295 1.00 73.03 H new ATOM 0 HB2 ASN B 51 14.825 12.363 -1.001 1.00 41.34 H new ATOM 0 HB3 ASN B 51 15.560 11.940 0.532 1.00 41.34 H new ATOM 0 HD21 ASN B 51 12.385 9.535 -0.672 1.00 25.24 H new ATOM 0 HD22 ASN B 51 12.278 11.293 -0.804 1.00 25.24 H new ATOM 2331 N ILE B 52 14.536 15.090 1.325 1.00 15.14 N ATOM 2332 CA ILE B 52 15.250 16.052 2.155 1.00 71.33 C ATOM 2333 C ILE B 52 14.301 16.764 3.112 1.00 63.34 C ATOM 2334 O ILE B 52 14.670 17.093 4.241 1.00 22.32 O ATOM 2335 CB ILE B 52 15.981 17.101 1.298 1.00 0.12 C ATOM 2336 CG1 ILE B 52 16.799 16.417 0.201 1.00 22.15 C ATOM 2337 CG2 ILE B 52 16.876 17.968 2.172 1.00 64.33 C ATOM 2338 CD1 ILE B 52 17.506 15.164 0.667 1.00 3.43 C ATOM 0 H ILE B 52 14.140 15.482 0.471 1.00 15.14 H new ATOM 0 HA ILE B 52 15.985 15.489 2.730 1.00 71.33 H new ATOM 0 HB ILE B 52 15.238 17.742 0.823 1.00 0.12 H new ATOM 0 HG12 ILE B 52 16.139 16.165 -0.629 1.00 22.15 H new ATOM 0 HG13 ILE B 52 17.538 17.121 -0.182 1.00 22.15 H new ATOM 0 HG21 ILE B 52 17.386 18.705 1.552 1.00 64.33 H new ATOM 0 HG22 ILE B 52 16.269 18.480 2.919 1.00 64.33 H new ATOM 0 HG23 ILE B 52 17.614 17.341 2.672 1.00 64.33 H new ATOM 0 HD11 ILE B 52 18.066 14.732 -0.163 1.00 3.43 H new ATOM 0 HD12 ILE B 52 18.191 15.413 1.477 1.00 3.43 H new ATOM 0 HD13 ILE B 52 16.771 14.442 1.023 1.00 3.43 H new ATOM 2350 N LEU B 53 13.076 16.999 2.656 1.00 63.51 N ATOM 2351 CA LEU B 53 12.070 17.671 3.472 1.00 30.02 C ATOM 2352 C LEU B 53 11.302 16.667 4.326 1.00 3.01 C ATOM 2353 O LEU B 53 10.748 17.020 5.366 1.00 32.54 O ATOM 2354 CB LEU B 53 11.100 18.450 2.582 1.00 71.32 C ATOM 2355 CG LEU B 53 11.230 19.972 2.620 1.00 24.34 C ATOM 2356 CD1 LEU B 53 12.682 20.389 2.450 1.00 64.42 C ATOM 2357 CD2 LEU B 53 10.363 20.608 1.543 1.00 70.41 C ATOM 0 H LEU B 53 12.755 16.734 1.725 1.00 63.51 H new ATOM 0 HA LEU B 53 12.582 18.367 4.136 1.00 30.02 H new ATOM 0 HB2 LEU B 53 11.237 18.119 1.553 1.00 71.32 H new ATOM 0 HB3 LEU B 53 10.082 18.185 2.869 1.00 71.32 H new ATOM 0 HG LEU B 53 10.884 20.322 3.593 1.00 24.34 H new ATOM 0 HD11 LEU B 53 12.754 21.476 2.480 1.00 64.42 H new ATOM 0 HD12 LEU B 53 13.280 19.963 3.256 1.00 64.42 H new ATOM 0 HD13 LEU B 53 13.055 20.027 1.492 1.00 64.42 H new ATOM 0 HD21 LEU B 53 10.468 21.692 1.585 1.00 70.41 H new ATOM 0 HD22 LEU B 53 10.679 20.250 0.563 1.00 70.41 H new ATOM 0 HD23 LEU B 53 9.320 20.338 1.709 1.00 70.41 H new ATOM 2369 N GLN B 54 11.274 15.416 3.878 1.00 45.30 N ATOM 2370 CA GLN B 54 10.575 14.362 4.602 1.00 4.44 C ATOM 2371 C GLN B 54 11.220 14.114 5.961 1.00 73.55 C ATOM 2372 O GLN B 54 10.625 13.489 6.840 1.00 22.03 O ATOM 2373 CB GLN B 54 10.569 13.069 3.783 1.00 31.43 C ATOM 2374 CG GLN B 54 11.924 12.381 3.723 1.00 54.24 C ATOM 2375 CD GLN B 54 11.851 11.003 3.097 1.00 53.44 C ATOM 2376 OE1 GLN B 54 12.453 10.050 3.593 1.00 62.11 O ATOM 2377 NE2 GLN B 54 11.111 10.889 2.001 1.00 32.34 N ATOM 0 H GLN B 54 11.727 15.108 3.018 1.00 45.30 H new ATOM 0 HA GLN B 54 9.547 14.687 4.763 1.00 4.44 H new ATOM 0 HB2 GLN B 54 9.840 12.381 4.211 1.00 31.43 H new ATOM 0 HB3 GLN B 54 10.239 13.293 2.769 1.00 31.43 H new ATOM 0 HG2 GLN B 54 12.616 12.999 3.152 1.00 54.24 H new ATOM 0 HG3 GLN B 54 12.330 12.297 4.731 1.00 54.24 H new ATOM 0 HE21 GLN B 54 10.629 11.705 1.624 1.00 32.34 H new ATOM 0 HE22 GLN B 54 11.024 9.985 1.536 1.00 32.34 H new ATOM 2386 N THR B 55 12.444 14.606 6.128 1.00 55.12 N ATOM 2387 CA THR B 55 13.172 14.438 7.380 1.00 13.51 C ATOM 2388 C THR B 55 12.423 15.081 8.542 1.00 42.11 C ATOM 2389 O THR B 55 11.633 16.009 8.366 1.00 72.25 O ATOM 2390 CB THR B 55 14.584 15.047 7.295 1.00 53.41 C ATOM 2391 OG1 THR B 55 14.519 16.360 6.729 1.00 50.54 O ATOM 2392 CG2 THR B 55 15.501 14.170 6.453 1.00 63.21 C ATOM 0 H THR B 55 12.952 15.124 5.411 1.00 55.12 H new ATOM 0 HA THR B 55 13.257 13.365 7.555 1.00 13.51 H new ATOM 0 HB THR B 55 14.991 15.108 8.304 1.00 53.41 H new ATOM 0 HG1 THR B 55 14.561 16.297 5.752 1.00 50.54 H new ATOM 0 HG21 THR B 55 16.493 14.620 6.407 1.00 63.21 H new ATOM 0 HG22 THR B 55 15.572 13.180 6.903 1.00 63.21 H new ATOM 0 HG23 THR B 55 15.095 14.082 5.445 1.00 63.21 H new ATOM 2400 N PRO B 56 12.676 14.578 9.759 1.00 31.25 N ATOM 2401 CA PRO B 56 12.037 15.090 10.976 1.00 41.22 C ATOM 2402 C PRO B 56 12.525 16.487 11.343 1.00 3.50 C ATOM 2403 O PRO B 56 11.786 17.278 11.929 1.00 61.54 O ATOM 2404 CB PRO B 56 12.453 14.080 12.047 1.00 43.23 C ATOM 2405 CG PRO B 56 13.726 13.495 11.542 1.00 22.11 C ATOM 2406 CD PRO B 56 13.606 13.473 10.043 1.00 60.25 C ATOM 0 HA PRO B 56 10.958 15.188 10.859 1.00 41.22 H new ATOM 0 HB2 PRO B 56 12.596 14.564 13.013 1.00 43.23 H new ATOM 0 HB3 PRO B 56 11.692 13.312 12.184 1.00 43.23 H new ATOM 0 HG2 PRO B 56 14.582 14.093 11.856 1.00 22.11 H new ATOM 0 HG3 PRO B 56 13.877 12.490 11.936 1.00 22.11 H new ATOM 0 HD2 PRO B 56 14.571 13.626 9.560 1.00 60.25 H new ATOM 0 HD3 PRO B 56 13.218 12.519 9.685 1.00 60.25 H new ATOM 2414 N GLN B 57 13.773 16.785 10.994 1.00 42.31 N ATOM 2415 CA GLN B 57 14.358 18.088 11.288 1.00 55.32 C ATOM 2416 C GLN B 57 13.785 19.161 10.369 1.00 1.51 C ATOM 2417 O GLN B 57 13.639 20.318 10.765 1.00 23.51 O ATOM 2418 CB GLN B 57 15.879 18.031 11.141 1.00 61.00 C ATOM 2419 CG GLN B 57 16.350 17.984 9.697 1.00 72.54 C ATOM 2420 CD GLN B 57 17.712 17.337 9.547 1.00 74.05 C ATOM 2421 OE1 GLN B 57 17.925 16.509 8.661 1.00 63.42 O ATOM 2422 NE2 GLN B 57 18.645 17.713 10.415 1.00 41.13 N ATOM 0 H GLN B 57 14.398 16.142 10.508 1.00 42.31 H new ATOM 0 HA GLN B 57 14.109 18.347 12.317 1.00 55.32 H new ATOM 0 HB2 GLN B 57 16.316 18.903 11.628 1.00 61.00 H new ATOM 0 HB3 GLN B 57 16.253 17.152 11.665 1.00 61.00 H new ATOM 0 HG2 GLN B 57 15.623 17.434 9.100 1.00 72.54 H new ATOM 0 HG3 GLN B 57 16.388 18.998 9.298 1.00 72.54 H new ATOM 0 HE21 GLN B 57 18.425 18.403 11.134 1.00 41.13 H new ATOM 0 HE22 GLN B 57 19.581 17.312 10.363 1.00 41.13 H new ATOM 2431 N PHE B 58 13.465 18.772 9.139 1.00 72.25 N ATOM 2432 CA PHE B 58 12.910 19.701 8.162 1.00 73.52 C ATOM 2433 C PHE B 58 11.451 19.370 7.865 1.00 1.21 C ATOM 2434 O PHE B 58 11.035 19.325 6.706 1.00 54.13 O ATOM 2435 CB PHE B 58 13.727 19.664 6.870 1.00 21.34 C ATOM 2436 CG PHE B 58 15.178 19.998 7.068 1.00 1.42 C ATOM 2437 CD1 PHE B 58 15.553 21.186 7.675 1.00 51.33 C ATOM 2438 CD2 PHE B 58 16.168 19.125 6.646 1.00 54.32 C ATOM 2439 CE1 PHE B 58 16.886 21.497 7.860 1.00 4.43 C ATOM 2440 CE2 PHE B 58 17.503 19.431 6.828 1.00 23.24 C ATOM 2441 CZ PHE B 58 17.863 20.618 7.434 1.00 13.33 C ATOM 0 H PHE B 58 13.581 17.819 8.795 1.00 72.25 H new ATOM 0 HA PHE B 58 12.958 20.705 8.584 1.00 73.52 H new ATOM 0 HB2 PHE B 58 13.648 18.671 6.428 1.00 21.34 H new ATOM 0 HB3 PHE B 58 13.295 20.366 6.156 1.00 21.34 H new ATOM 0 HD1 PHE B 58 14.793 21.878 8.008 1.00 51.33 H new ATOM 0 HD2 PHE B 58 15.893 18.195 6.170 1.00 54.32 H new ATOM 0 HE1 PHE B 58 17.164 22.425 8.337 1.00 4.43 H new ATOM 0 HE2 PHE B 58 18.265 18.741 6.496 1.00 23.24 H new ATOM 0 HZ PHE B 58 18.906 20.859 7.575 1.00 13.33 H new ATOM 2451 N THR B 59 10.675 19.137 8.920 1.00 3.42 N ATOM 2452 CA THR B 59 9.263 18.809 8.773 1.00 32.14 C ATOM 2453 C THR B 59 8.406 20.069 8.742 1.00 21.44 C ATOM 2454 O THR B 59 7.397 20.129 8.039 1.00 24.22 O ATOM 2455 CB THR B 59 8.777 17.898 9.915 1.00 53.35 C ATOM 2456 OG1 THR B 59 7.401 17.555 9.716 1.00 50.44 O ATOM 2457 CG2 THR B 59 8.943 18.585 11.262 1.00 63.52 C ATOM 0 H THR B 59 11.002 19.170 9.886 1.00 3.42 H new ATOM 0 HA THR B 59 9.158 18.279 7.826 1.00 32.14 H new ATOM 0 HB THR B 59 9.382 16.991 9.910 1.00 53.35 H new ATOM 0 HG1 THR B 59 7.100 16.974 10.446 1.00 50.44 H new ATOM 0 HG21 THR B 59 8.593 17.923 12.054 1.00 63.52 H new ATOM 0 HG22 THR B 59 9.995 18.820 11.424 1.00 63.52 H new ATOM 0 HG23 THR B 59 8.360 19.506 11.275 1.00 63.52 H new ATOM 2465 N LYS B 60 8.813 21.075 9.507 1.00 13.34 N ATOM 2466 CA LYS B 60 8.084 22.337 9.567 1.00 2.41 C ATOM 2467 C LYS B 60 8.368 23.188 8.334 1.00 33.42 C ATOM 2468 O LYS B 60 7.698 24.193 8.094 1.00 21.23 O ATOM 2469 CB LYS B 60 8.463 23.109 10.832 1.00 14.22 C ATOM 2470 CG LYS B 60 9.960 23.295 11.006 1.00 61.42 C ATOM 2471 CD LYS B 60 10.279 24.164 12.212 1.00 54.34 C ATOM 2472 CE LYS B 60 11.435 23.596 13.019 1.00 31.41 C ATOM 2473 NZ LYS B 60 11.803 24.479 14.159 1.00 31.11 N ATOM 0 H LYS B 60 9.645 21.042 10.096 1.00 13.34 H new ATOM 0 HA LYS B 60 7.018 22.111 9.593 1.00 2.41 H new ATOM 0 HB2 LYS B 60 7.984 24.088 10.807 1.00 14.22 H new ATOM 0 HB3 LYS B 60 8.067 22.583 11.701 1.00 14.22 H new ATOM 0 HG2 LYS B 60 10.437 22.322 11.121 1.00 61.42 H new ATOM 0 HG3 LYS B 60 10.378 23.750 10.108 1.00 61.42 H new ATOM 0 HD2 LYS B 60 10.527 25.172 11.880 1.00 54.34 H new ATOM 0 HD3 LYS B 60 9.396 24.245 12.847 1.00 54.34 H new ATOM 0 HE2 LYS B 60 11.164 22.610 13.396 1.00 31.41 H new ATOM 0 HE3 LYS B 60 12.300 23.462 12.369 1.00 31.41 H new ATOM 0 HZ1 LYS B 60 12.595 24.056 14.684 1.00 31.11 H new ATOM 0 HZ2 LYS B 60 12.086 25.412 13.798 1.00 31.11 H new ATOM 0 HZ3 LYS B 60 10.986 24.586 14.793 1.00 31.11 H new ATOM 2487 N TYR B 61 9.364 22.780 7.556 1.00 63.31 N ATOM 2488 CA TYR B 61 9.739 23.507 6.349 1.00 12.35 C ATOM 2489 C TYR B 61 9.437 22.682 5.101 1.00 43.03 C ATOM 2490 O TYR B 61 10.329 22.385 4.306 1.00 15.42 O ATOM 2491 CB TYR B 61 11.223 23.871 6.386 1.00 51.41 C ATOM 2492 CG TYR B 61 11.708 24.301 7.752 1.00 52.31 C ATOM 2493 CD1 TYR B 61 11.286 25.499 8.315 1.00 43.25 C ATOM 2494 CD2 TYR B 61 12.586 23.509 8.481 1.00 24.22 C ATOM 2495 CE1 TYR B 61 11.726 25.896 9.562 1.00 20.34 C ATOM 2496 CE2 TYR B 61 13.031 23.896 9.729 1.00 72.43 C ATOM 2497 CZ TYR B 61 12.599 25.091 10.266 1.00 62.03 C ATOM 2498 OH TYR B 61 13.038 25.482 11.510 1.00 73.32 O ATOM 0 H TYR B 61 9.927 21.949 7.740 1.00 63.31 H new ATOM 0 HA TYR B 61 9.149 24.423 6.310 1.00 12.35 H new ATOM 0 HB2 TYR B 61 11.807 23.012 6.056 1.00 51.41 H new ATOM 0 HB3 TYR B 61 11.409 24.675 5.674 1.00 51.41 H new ATOM 0 HD1 TYR B 61 10.602 26.131 7.768 1.00 43.25 H new ATOM 0 HD2 TYR B 61 12.927 22.573 8.064 1.00 24.22 H new ATOM 0 HE1 TYR B 61 11.389 26.831 9.984 1.00 20.34 H new ATOM 0 HE2 TYR B 61 13.713 23.267 10.282 1.00 72.43 H new ATOM 0 HH TYR B 61 12.471 26.208 11.844 1.00 73.32 H new ATOM 2508 N THR B 62 8.170 22.315 4.934 1.00 34.42 N ATOM 2509 CA THR B 62 7.748 21.525 3.785 1.00 72.42 C ATOM 2510 C THR B 62 7.196 22.415 2.678 1.00 31.24 C ATOM 2511 O THR B 62 7.793 22.535 1.607 1.00 31.52 O ATOM 2512 CB THR B 62 6.676 20.490 4.178 1.00 33.53 C ATOM 2513 OG1 THR B 62 6.546 20.435 5.604 1.00 23.01 O ATOM 2514 CG2 THR B 62 7.033 19.111 3.643 1.00 4.41 C ATOM 0 H THR B 62 7.418 22.553 5.581 1.00 34.42 H new ATOM 0 HA THR B 62 8.632 21.002 3.420 1.00 72.42 H new ATOM 0 HB THR B 62 5.727 20.799 3.739 1.00 33.53 H new ATOM 0 HG1 THR B 62 7.408 20.191 6.002 1.00 23.01 H new ATOM 0 HG21 THR B 62 6.262 18.397 3.933 1.00 4.41 H new ATOM 0 HG22 THR B 62 7.102 19.149 2.556 1.00 4.41 H new ATOM 0 HG23 THR B 62 7.992 18.797 4.056 1.00 4.41 H new ATOM 2522 N LEU B 63 6.053 23.041 2.941 1.00 12.13 N ATOM 2523 CA LEU B 63 5.421 23.922 1.967 1.00 1.11 C ATOM 2524 C LEU B 63 5.560 25.383 2.383 1.00 22.24 C ATOM 2525 O LEU B 63 5.080 26.283 1.693 1.00 42.13 O ATOM 2526 CB LEU B 63 3.942 23.563 1.809 1.00 73.21 C ATOM 2527 CG LEU B 63 2.975 24.264 2.765 1.00 75.31 C ATOM 2528 CD1 LEU B 63 2.291 25.431 2.070 1.00 21.21 C ATOM 2529 CD2 LEU B 63 1.946 23.280 3.299 1.00 54.43 C ATOM 0 H LEU B 63 5.546 22.954 3.822 1.00 12.13 H new ATOM 0 HA LEU B 63 5.926 23.786 1.010 1.00 1.11 H new ATOM 0 HB2 LEU B 63 3.640 23.792 0.787 1.00 73.21 H new ATOM 0 HB3 LEU B 63 3.834 22.486 1.940 1.00 73.21 H new ATOM 0 HG LEU B 63 3.545 24.654 3.608 1.00 75.31 H new ATOM 0 HD11 LEU B 63 1.607 25.918 2.765 1.00 21.21 H new ATOM 0 HD12 LEU B 63 3.042 26.148 1.738 1.00 21.21 H new ATOM 0 HD13 LEU B 63 1.733 25.065 1.208 1.00 21.21 H new ATOM 0 HD21 LEU B 63 1.267 23.796 3.977 1.00 54.43 H new ATOM 0 HD22 LEU B 63 1.379 22.860 2.468 1.00 54.43 H new ATOM 0 HD23 LEU B 63 2.453 22.478 3.835 1.00 54.43 H new ATOM 2541 N TRP B 64 6.220 25.610 3.513 1.00 1.21 N ATOM 2542 CA TRP B 64 6.424 26.963 4.019 1.00 43.23 C ATOM 2543 C TRP B 64 7.022 27.862 2.943 1.00 72.02 C ATOM 2544 O TRP B 64 6.833 29.079 2.962 1.00 64.33 O ATOM 2545 CB TRP B 64 7.337 26.937 5.246 1.00 62.22 C ATOM 2546 CG TRP B 64 8.763 27.279 4.933 1.00 4.30 C ATOM 2547 CD1 TRP B 64 9.444 28.395 5.326 1.00 74.40 C ATOM 2548 CD2 TRP B 64 9.680 26.499 4.158 1.00 4.15 C ATOM 2549 NE1 TRP B 64 10.729 28.357 4.844 1.00 54.00 N ATOM 2550 CE2 TRP B 64 10.900 27.204 4.125 1.00 33.35 C ATOM 2551 CE3 TRP B 64 9.592 25.274 3.492 1.00 30.31 C ATOM 2552 CZ2 TRP B 64 12.019 26.721 3.451 1.00 50.25 C ATOM 2553 CZ3 TRP B 64 10.703 24.798 2.823 1.00 42.23 C ATOM 2554 CH2 TRP B 64 11.904 25.520 2.807 1.00 30.42 C ATOM 0 H TRP B 64 6.623 24.876 4.096 1.00 1.21 H new ATOM 0 HA TRP B 64 5.453 27.368 4.305 1.00 43.23 H new ATOM 0 HB2 TRP B 64 6.957 27.639 5.988 1.00 62.22 H new ATOM 0 HB3 TRP B 64 7.299 25.945 5.697 1.00 62.22 H new ATOM 0 HD1 TRP B 64 9.032 29.191 5.928 1.00 74.40 H new ATOM 0 HE1 TRP B 64 11.441 29.072 4.997 1.00 54.00 H new ATOM 0 HE3 TRP B 64 8.672 24.709 3.500 1.00 30.31 H new ATOM 0 HZ2 TRP B 64 12.946 27.276 3.437 1.00 50.25 H new ATOM 0 HZ3 TRP B 64 10.645 23.853 2.303 1.00 42.23 H new ATOM 0 HH2 TRP B 64 12.755 25.120 2.276 1.00 30.42 H new ATOM 2565 N PHE B 65 7.745 27.258 2.007 1.00 3.22 N ATOM 2566 CA PHE B 65 8.372 28.005 0.923 1.00 51.24 C ATOM 2567 C PHE B 65 7.885 27.506 -0.435 1.00 44.13 C ATOM 2568 O PHE B 65 7.817 28.266 -1.400 1.00 61.53 O ATOM 2569 CB PHE B 65 9.895 27.886 1.007 1.00 33.14 C ATOM 2570 CG PHE B 65 10.566 29.132 1.510 1.00 11.11 C ATOM 2571 CD1 PHE B 65 9.955 29.926 2.467 1.00 22.30 C ATOM 2572 CD2 PHE B 65 11.808 29.510 1.026 1.00 2.15 C ATOM 2573 CE1 PHE B 65 10.570 31.073 2.933 1.00 2.32 C ATOM 2574 CE2 PHE B 65 12.429 30.655 1.488 1.00 4.54 C ATOM 2575 CZ PHE B 65 11.808 31.438 2.441 1.00 1.24 C ATOM 0 H PHE B 65 7.912 26.252 1.977 1.00 3.22 H new ATOM 0 HA PHE B 65 8.090 29.053 1.027 1.00 51.24 H new ATOM 0 HB2 PHE B 65 10.151 27.055 1.664 1.00 33.14 H new ATOM 0 HB3 PHE B 65 10.288 27.645 0.019 1.00 33.14 H new ATOM 0 HD1 PHE B 65 8.986 29.645 2.854 1.00 22.30 H new ATOM 0 HD2 PHE B 65 12.297 28.903 0.279 1.00 2.15 H new ATOM 0 HE1 PHE B 65 10.084 31.682 3.680 1.00 2.32 H new ATOM 0 HE2 PHE B 65 13.398 30.937 1.104 1.00 4.54 H new ATOM 0 HZ PHE B 65 12.290 32.335 2.801 1.00 1.24 H new ATOM 2585 N MET B 66 7.550 26.222 -0.500 1.00 55.55 N ATOM 2586 CA MET B 66 7.070 25.620 -1.739 1.00 63.34 C ATOM 2587 C MET B 66 5.932 26.442 -2.338 1.00 2.10 C ATOM 2588 O MET B 66 5.796 26.536 -3.558 1.00 23.20 O ATOM 2589 CB MET B 66 6.598 24.186 -1.486 1.00 52.14 C ATOM 2590 CG MET B 66 6.892 23.238 -2.637 1.00 45.22 C ATOM 2591 SD MET B 66 5.457 22.252 -3.106 1.00 33.32 S ATOM 2592 CE MET B 66 4.445 23.489 -3.914 1.00 54.53 C ATOM 0 H MET B 66 7.602 25.578 0.290 1.00 55.55 H new ATOM 0 HA MET B 66 7.897 25.604 -2.449 1.00 63.34 H new ATOM 0 HB2 MET B 66 7.078 23.808 -0.583 1.00 52.14 H new ATOM 0 HB3 MET B 66 5.524 24.193 -1.297 1.00 52.14 H new ATOM 0 HG2 MET B 66 7.231 23.813 -3.499 1.00 45.22 H new ATOM 0 HG3 MET B 66 7.709 22.573 -2.356 1.00 45.22 H new ATOM 0 HE1 MET B 66 3.515 23.616 -3.360 1.00 54.53 H new ATOM 0 HE2 MET B 66 4.983 24.437 -3.943 1.00 54.53 H new ATOM 0 HE3 MET B 66 4.221 23.168 -4.931 1.00 54.53 H new ATOM 2602 N THR B 67 5.118 27.036 -1.472 1.00 4.01 N ATOM 2603 CA THR B 67 3.993 27.849 -1.914 1.00 64.01 C ATOM 2604 C THR B 67 3.916 29.156 -1.133 1.00 4.11 C ATOM 2605 O THR B 67 2.880 29.819 -1.113 1.00 25.32 O ATOM 2606 CB THR B 67 2.659 27.094 -1.760 1.00 50.32 C ATOM 2607 OG1 THR B 67 2.827 25.723 -2.135 1.00 43.04 O ATOM 2608 CG2 THR B 67 1.574 27.730 -2.617 1.00 73.01 C ATOM 0 H THR B 67 5.217 26.969 -0.459 1.00 4.01 H new ATOM 0 HA THR B 67 4.159 28.069 -2.969 1.00 64.01 H new ATOM 0 HB THR B 67 2.354 27.150 -0.715 1.00 50.32 H new ATOM 0 HG1 THR B 67 1.975 25.249 -2.033 1.00 43.04 H new ATOM 0 HG21 THR B 67 0.642 27.179 -2.491 1.00 73.01 H new ATOM 0 HG22 THR B 67 1.428 28.766 -2.310 1.00 73.01 H new ATOM 0 HG23 THR B 67 1.874 27.701 -3.664 1.00 73.01 H new ATOM 2616 N ASN B 68 5.021 29.520 -0.490 1.00 11.41 N ATOM 2617 CA ASN B 68 5.079 30.749 0.294 1.00 74.22 C ATOM 2618 C ASN B 68 3.917 30.820 1.281 1.00 14.40 C ATOM 2619 O ASN B 68 3.313 31.875 1.468 1.00 0.14 O ATOM 2620 CB ASN B 68 5.052 31.969 -0.628 1.00 72.14 C ATOM 2621 CG ASN B 68 5.995 31.822 -1.808 1.00 24.42 C ATOM 2622 OD1 ASN B 68 5.602 32.017 -2.959 1.00 31.00 O ATOM 2623 ND2 ASN B 68 7.245 31.476 -1.526 1.00 25.24 N ATOM 0 H ASN B 68 5.888 28.982 -0.496 1.00 11.41 H new ATOM 0 HA ASN B 68 6.013 30.747 0.857 1.00 74.22 H new ATOM 0 HB2 ASN B 68 4.037 32.122 -0.994 1.00 72.14 H new ATOM 0 HB3 ASN B 68 5.323 32.858 -0.058 1.00 72.14 H new ATOM 0 HD21 ASN B 68 7.924 31.361 -2.278 1.00 25.24 H new ATOM 0 HD22 ASN B 68 7.526 31.325 -0.557 1.00 25.24 H new ATOM 2630 N GLN B 69 3.613 29.689 1.910 1.00 42.21 N ATOM 2631 CA GLN B 69 2.524 29.623 2.879 1.00 70.13 C ATOM 2632 C GLN B 69 2.953 28.861 4.128 1.00 10.34 C ATOM 2633 O GLN B 69 3.193 27.654 4.079 1.00 41.40 O ATOM 2634 CB GLN B 69 1.299 28.955 2.254 1.00 35.41 C ATOM 2635 CG GLN B 69 0.005 29.243 2.997 1.00 60.42 C ATOM 2636 CD GLN B 69 -0.660 30.526 2.536 1.00 22.34 C ATOM 2637 OE1 GLN B 69 -1.190 30.599 1.428 1.00 42.13 O ATOM 2638 NE2 GLN B 69 -0.635 31.544 3.387 1.00 14.11 N ATOM 0 H GLN B 69 4.104 28.807 1.767 1.00 42.21 H new ATOM 0 HA GLN B 69 2.265 30.641 3.169 1.00 70.13 H new ATOM 0 HB2 GLN B 69 1.199 29.292 1.222 1.00 35.41 H new ATOM 0 HB3 GLN B 69 1.459 27.877 2.224 1.00 35.41 H new ATOM 0 HG2 GLN B 69 -0.684 28.410 2.856 1.00 60.42 H new ATOM 0 HG3 GLN B 69 0.211 29.309 4.065 1.00 60.42 H new ATOM 0 HE21 GLN B 69 -0.184 31.438 4.296 1.00 14.11 H new ATOM 0 HE22 GLN B 69 -1.067 32.432 3.132 1.00 14.11 H new ATOM 2647 N ILE B 70 3.046 29.573 5.246 1.00 24.34 N ATOM 2648 CA ILE B 70 3.445 28.962 6.508 1.00 24.43 C ATOM 2649 C ILE B 70 2.250 28.330 7.215 1.00 41.10 C ATOM 2650 O ILE B 70 1.229 28.981 7.431 1.00 43.13 O ATOM 2651 CB ILE B 70 4.098 29.991 7.449 1.00 12.12 C ATOM 2652 CG1 ILE B 70 3.168 31.187 7.658 1.00 1.24 C ATOM 2653 CG2 ILE B 70 5.437 30.446 6.888 1.00 40.03 C ATOM 2654 CD1 ILE B 70 2.670 31.326 9.079 1.00 23.21 C ATOM 0 H ILE B 70 2.851 30.572 5.304 1.00 24.34 H new ATOM 0 HA ILE B 70 4.173 28.187 6.268 1.00 24.43 H new ATOM 0 HB ILE B 70 4.272 29.518 8.415 1.00 12.12 H new ATOM 0 HG12 ILE B 70 3.694 32.099 7.375 1.00 1.24 H new ATOM 0 HG13 ILE B 70 2.312 31.092 6.990 1.00 1.24 H new ATOM 0 HG21 ILE B 70 5.887 31.173 7.564 1.00 40.03 H new ATOM 0 HG22 ILE B 70 6.100 29.587 6.786 1.00 40.03 H new ATOM 0 HG23 ILE B 70 5.285 30.905 5.911 1.00 40.03 H new ATOM 0 HD11 ILE B 70 2.016 32.195 9.152 1.00 23.21 H new ATOM 0 HD12 ILE B 70 2.116 30.430 9.360 1.00 23.21 H new ATOM 0 HD13 ILE B 70 3.519 31.453 9.751 1.00 23.21 H new ATOM 2666 N ALA B 71 2.388 27.058 7.575 1.00 31.41 N ATOM 2667 CA ALA B 71 1.321 26.340 8.260 1.00 42.14 C ATOM 2668 C ALA B 71 1.719 26.006 9.695 1.00 13.21 C ATOM 2669 O ALA B 71 2.061 24.870 10.022 1.00 44.11 O ATOM 2670 CB ALA B 71 0.967 25.069 7.501 1.00 21.42 C ATOM 0 H ALA B 71 3.227 26.504 7.404 1.00 31.41 H new ATOM 0 HA ALA B 71 0.444 26.987 8.293 1.00 42.14 H new ATOM 0 HB1 ALA B 71 0.169 24.543 8.024 1.00 21.42 H new ATOM 0 HB2 ALA B 71 0.634 25.326 6.496 1.00 21.42 H new ATOM 0 HB3 ALA B 71 1.845 24.426 7.439 1.00 21.42 H new ATOM 2676 N PRO B 72 1.674 27.019 10.573 1.00 64.10 N ATOM 2677 CA PRO B 72 2.026 26.858 11.987 1.00 11.04 C ATOM 2678 C PRO B 72 1.001 26.023 12.748 1.00 33.42 C ATOM 2679 O PRO B 72 1.276 25.536 13.844 1.00 25.43 O ATOM 2680 CB PRO B 72 2.043 28.294 12.514 1.00 2.43 C ATOM 2681 CG PRO B 72 1.131 29.044 11.605 1.00 51.11 C ATOM 2682 CD PRO B 72 1.275 28.400 10.253 1.00 31.23 C ATOM 0 HA PRO B 72 2.972 26.332 12.114 1.00 11.04 H new ATOM 0 HB2 PRO B 72 1.698 28.340 13.547 1.00 2.43 H new ATOM 0 HB3 PRO B 72 3.050 28.710 12.495 1.00 2.43 H new ATOM 0 HG2 PRO B 72 0.100 28.991 11.955 1.00 51.11 H new ATOM 0 HG3 PRO B 72 1.400 30.100 11.566 1.00 51.11 H new ATOM 0 HD2 PRO B 72 0.340 28.429 9.693 1.00 31.23 H new ATOM 0 HD3 PRO B 72 2.026 28.905 9.646 1.00 31.23 H new ATOM 2690 N GLU B 73 -0.180 25.864 12.158 1.00 4.23 N ATOM 2691 CA GLU B 73 -1.245 25.088 12.784 1.00 61.34 C ATOM 2692 C GLU B 73 -0.861 23.614 12.878 1.00 54.44 C ATOM 2693 O GLU B 73 -1.361 22.885 13.735 1.00 31.22 O ATOM 2694 CB GLU B 73 -2.546 25.237 11.992 1.00 60.13 C ATOM 2695 CG GLU B 73 -3.474 26.307 12.543 1.00 64.33 C ATOM 2696 CD GLU B 73 -4.929 26.048 12.203 1.00 11.13 C ATOM 2697 OE1 GLU B 73 -5.330 26.333 11.055 1.00 33.02 O ATOM 2698 OE2 GLU B 73 -5.667 25.560 13.085 1.00 41.10 O ATOM 0 H GLU B 73 -0.423 26.261 11.250 1.00 4.23 H new ATOM 0 HA GLU B 73 -1.395 25.472 13.793 1.00 61.34 H new ATOM 0 HB2 GLU B 73 -2.306 25.475 10.956 1.00 60.13 H new ATOM 0 HB3 GLU B 73 -3.070 24.281 11.986 1.00 60.13 H new ATOM 0 HG2 GLU B 73 -3.361 26.358 13.626 1.00 64.33 H new ATOM 0 HG3 GLU B 73 -3.179 27.278 12.146 1.00 64.33 H new ATOM 2705 N SER B 74 0.029 23.182 11.990 1.00 3.13 N ATOM 2706 CA SER B 74 0.478 21.795 11.970 1.00 54.43 C ATOM 2707 C SER B 74 1.976 21.704 12.241 1.00 41.34 C ATOM 2708 O SER B 74 2.597 20.665 12.018 1.00 62.25 O ATOM 2709 CB SER B 74 0.151 21.151 10.621 1.00 12.33 C ATOM 2710 OG SER B 74 -1.243 21.169 10.371 1.00 21.43 O ATOM 0 H SER B 74 0.453 23.773 11.275 1.00 3.13 H new ATOM 0 HA SER B 74 -0.048 21.257 12.759 1.00 54.43 H new ATOM 0 HB2 SER B 74 0.673 21.682 9.825 1.00 12.33 H new ATOM 0 HB3 SER B 74 0.512 20.123 10.608 1.00 12.33 H new ATOM 0 HG SER B 74 -1.596 20.256 10.422 1.00 21.43 H new ATOM 2716 N GLY B 75 2.551 22.802 12.723 1.00 32.12 N ATOM 2717 CA GLY B 75 3.973 22.826 13.016 1.00 40.12 C ATOM 2718 C GLY B 75 4.813 23.115 11.788 1.00 61.53 C ATOM 2719 O GLY B 75 5.737 22.367 11.471 1.00 74.03 O ATOM 0 H GLY B 75 2.058 23.674 12.916 1.00 32.12 H new ATOM 0 HA2 GLY B 75 4.172 23.583 13.775 1.00 40.12 H new ATOM 0 HA3 GLY B 75 4.270 21.866 13.438 1.00 40.12 H new ATOM 2723 N GLN B 76 4.491 24.203 11.095 1.00 5.14 N ATOM 2724 CA GLN B 76 5.223 24.587 9.894 1.00 30.43 C ATOM 2725 C GLN B 76 5.385 26.101 9.816 1.00 1.04 C ATOM 2726 O GLN B 76 4.406 26.833 9.670 1.00 20.13 O ATOM 2727 CB GLN B 76 4.501 24.075 8.646 1.00 34.10 C ATOM 2728 CG GLN B 76 3.946 22.668 8.799 1.00 32.22 C ATOM 2729 CD GLN B 76 3.589 22.034 7.469 1.00 51.40 C ATOM 2730 OE1 GLN B 76 2.477 21.537 7.283 1.00 11.02 O ATOM 2731 NE2 GLN B 76 4.531 22.048 6.533 1.00 72.22 N ATOM 0 H GLN B 76 3.729 24.833 11.345 1.00 5.14 H new ATOM 0 HA GLN B 76 6.214 24.136 9.943 1.00 30.43 H new ATOM 0 HB2 GLN B 76 3.684 24.755 8.404 1.00 34.10 H new ATOM 0 HB3 GLN B 76 5.192 24.095 7.803 1.00 34.10 H new ATOM 0 HG2 GLN B 76 4.681 22.045 9.309 1.00 32.22 H new ATOM 0 HG3 GLN B 76 3.060 22.698 9.433 1.00 32.22 H new ATOM 0 HE21 GLN B 76 5.439 22.470 6.729 1.00 72.22 H new ATOM 0 HE22 GLN B 76 4.347 21.637 5.618 1.00 72.22 H new ATOM 2740 N ILE B 77 6.627 26.563 9.915 1.00 41.52 N ATOM 2741 CA ILE B 77 6.917 27.991 9.855 1.00 50.31 C ATOM 2742 C ILE B 77 8.255 28.252 9.172 1.00 5.22 C ATOM 2743 O ILE B 77 8.979 27.319 8.826 1.00 61.33 O ATOM 2744 CB ILE B 77 6.939 28.621 11.261 1.00 44.11 C ATOM 2745 CG1 ILE B 77 8.256 28.294 11.968 1.00 70.24 C ATOM 2746 CG2 ILE B 77 5.755 28.128 12.080 1.00 64.41 C ATOM 2747 CD1 ILE B 77 8.506 26.811 12.128 1.00 2.32 C ATOM 0 H ILE B 77 7.448 25.970 10.037 1.00 41.52 H new ATOM 0 HA ILE B 77 6.119 28.451 9.272 1.00 50.31 H new ATOM 0 HB ILE B 77 6.861 29.704 11.161 1.00 44.11 H new ATOM 0 HG12 ILE B 77 9.079 28.734 11.406 1.00 70.24 H new ATOM 0 HG13 ILE B 77 8.256 28.762 12.952 1.00 70.24 H new ATOM 0 HG21 ILE B 77 5.784 28.582 13.071 1.00 64.41 H new ATOM 0 HG22 ILE B 77 4.827 28.405 11.581 1.00 64.41 H new ATOM 0 HG23 ILE B 77 5.805 27.043 12.176 1.00 64.41 H new ATOM 0 HD11 ILE B 77 9.457 26.655 12.637 1.00 2.32 H new ATOM 0 HD12 ILE B 77 7.703 26.368 12.717 1.00 2.32 H new ATOM 0 HD13 ILE B 77 8.539 26.339 11.146 1.00 2.32 H new ATOM 2759 N ALA B 78 8.577 29.527 8.982 1.00 60.23 N ATOM 2760 CA ALA B 78 9.830 29.912 8.345 1.00 30.33 C ATOM 2761 C ALA B 78 10.945 30.068 9.374 1.00 42.43 C ATOM 2762 O ALA B 78 10.749 30.620 10.456 1.00 1.45 O ATOM 2763 CB ALA B 78 9.649 31.202 7.559 1.00 22.31 C ATOM 0 H ALA B 78 7.987 30.311 9.260 1.00 60.23 H new ATOM 0 HA ALA B 78 10.117 29.118 7.656 1.00 30.33 H new ATOM 0 HB1 ALA B 78 10.593 31.477 7.089 1.00 22.31 H new ATOM 0 HB2 ALA B 78 8.890 31.056 6.791 1.00 22.31 H new ATOM 0 HB3 ALA B 78 9.334 31.998 8.234 1.00 22.31 H new ATOM 2769 N PRO B 79 12.142 29.570 9.030 1.00 54.52 N ATOM 2770 CA PRO B 79 13.312 29.643 9.912 1.00 53.33 C ATOM 2771 C PRO B 79 13.837 31.067 10.061 1.00 52.42 C ATOM 2772 O PRO B 79 13.308 32.000 9.458 1.00 11.10 O ATOM 2773 CB PRO B 79 14.345 28.764 9.203 1.00 0.21 C ATOM 2774 CG PRO B 79 13.947 28.794 7.768 1.00 1.12 C ATOM 2775 CD PRO B 79 12.447 28.899 7.756 1.00 63.55 C ATOM 0 HA PRO B 79 13.079 29.318 10.926 1.00 53.33 H new ATOM 0 HB2 PRO B 79 15.355 29.150 9.342 1.00 0.21 H new ATOM 0 HB3 PRO B 79 14.335 27.747 9.595 1.00 0.21 H new ATOM 0 HG2 PRO B 79 14.402 29.641 7.255 1.00 1.12 H new ATOM 0 HG3 PRO B 79 14.279 27.893 7.252 1.00 1.12 H new ATOM 0 HD2 PRO B 79 12.091 29.476 6.903 1.00 63.55 H new ATOM 0 HD3 PRO B 79 11.976 27.918 7.696 1.00 63.55 H new ATOM 2783 N ALA B 80 14.880 31.226 10.869 1.00 25.42 N ATOM 2784 CA ALA B 80 15.478 32.536 11.096 1.00 0.54 C ATOM 2785 C ALA B 80 16.045 33.112 9.803 1.00 35.22 C ATOM 2786 O ALA B 80 15.619 34.173 9.345 1.00 62.14 O ATOM 2787 CB ALA B 80 16.565 32.443 12.157 1.00 73.13 C ATOM 0 H ALA B 80 15.328 30.464 11.377 1.00 25.42 H new ATOM 0 HA ALA B 80 14.697 33.209 11.450 1.00 0.54 H new ATOM 0 HB1 ALA B 80 17.003 33.428 12.316 1.00 73.13 H new ATOM 0 HB2 ALA B 80 16.132 32.083 13.090 1.00 73.13 H new ATOM 0 HB3 ALA B 80 17.339 31.751 11.825 1.00 73.13 H new ATOM 2793 N LEU B 81 17.007 32.406 9.218 1.00 30.02 N ATOM 2794 CA LEU B 81 17.633 32.848 7.978 1.00 34.04 C ATOM 2795 C LEU B 81 16.581 33.201 6.932 1.00 42.43 C ATOM 2796 O LEU B 81 16.753 34.140 6.155 1.00 23.42 O ATOM 2797 CB LEU B 81 18.563 31.760 7.437 1.00 64.45 C ATOM 2798 CG LEU B 81 19.812 31.470 8.270 1.00 64.45 C ATOM 2799 CD1 LEU B 81 19.655 30.161 9.028 1.00 35.40 C ATOM 2800 CD2 LEU B 81 21.047 31.430 7.382 1.00 62.22 C ATOM 0 H LEU B 81 17.370 31.525 9.583 1.00 30.02 H new ATOM 0 HA LEU B 81 18.217 33.742 8.194 1.00 34.04 H new ATOM 0 HB2 LEU B 81 17.992 30.836 7.341 1.00 64.45 H new ATOM 0 HB3 LEU B 81 18.878 32.045 6.433 1.00 64.45 H new ATOM 0 HG LEU B 81 19.937 32.274 8.996 1.00 64.45 H new ATOM 0 HD11 LEU B 81 20.553 29.971 9.615 1.00 35.40 H new ATOM 0 HD12 LEU B 81 18.794 30.227 9.693 1.00 35.40 H new ATOM 0 HD13 LEU B 81 19.505 29.346 8.320 1.00 35.40 H new ATOM 0 HD21 LEU B 81 21.927 31.223 7.991 1.00 62.22 H new ATOM 0 HD22 LEU B 81 20.931 30.647 6.633 1.00 62.22 H new ATOM 0 HD23 LEU B 81 21.169 32.392 6.885 1.00 62.22 H new ATOM 2812 N ALA B 82 15.491 32.440 6.918 1.00 60.51 N ATOM 2813 CA ALA B 82 14.408 32.675 5.970 1.00 44.45 C ATOM 2814 C ALA B 82 13.932 34.123 6.028 1.00 20.32 C ATOM 2815 O ALA B 82 13.579 34.628 7.093 1.00 2.23 O ATOM 2816 CB ALA B 82 13.251 31.725 6.245 1.00 40.20 C ATOM 0 H ALA B 82 15.335 31.656 7.552 1.00 60.51 H new ATOM 0 HA ALA B 82 14.789 32.486 4.966 1.00 44.45 H new ATOM 0 HB1 ALA B 82 12.449 31.911 5.530 1.00 40.20 H new ATOM 0 HB2 ALA B 82 13.594 30.695 6.145 1.00 40.20 H new ATOM 0 HB3 ALA B 82 12.880 31.887 7.257 1.00 40.20 H new ATOM 2822 N HIS B 83 13.926 34.784 4.875 1.00 22.34 N ATOM 2823 CA HIS B 83 13.492 36.175 4.794 1.00 63.42 C ATOM 2824 C HIS B 83 12.023 36.264 4.394 1.00 41.50 C ATOM 2825 O HIS B 83 11.587 37.256 3.809 1.00 61.44 O ATOM 2826 CB HIS B 83 14.354 36.942 3.790 1.00 44.31 C ATOM 2827 CG HIS B 83 15.657 37.413 4.358 1.00 73.22 C ATOM 2828 ND1 HIS B 83 15.851 38.691 4.838 1.00 55.33 N ATOM 2829 CD2 HIS B 83 16.836 36.769 4.521 1.00 3.54 C ATOM 2830 CE1 HIS B 83 17.093 38.813 5.270 1.00 61.52 C ATOM 2831 NE2 HIS B 83 17.712 37.660 5.089 1.00 31.24 N ATOM 0 H HIS B 83 14.216 34.380 3.985 1.00 22.34 H new ATOM 0 HA HIS B 83 13.609 36.624 5.780 1.00 63.42 H new ATOM 0 HB2 HIS B 83 14.552 36.302 2.930 1.00 44.31 H new ATOM 0 HB3 HIS B 83 13.794 37.803 3.425 1.00 44.31 H new ATOM 0 HD2 HIS B 83 17.048 35.744 4.254 1.00 3.54 H new ATOM 0 HE1 HIS B 83 17.529 39.704 5.698 1.00 61.52 H new ATOM 0 HE2 HIS B 83 18.683 37.464 5.332 1.00 31.24 H new ATOM 2839 N PHE B 84 11.263 35.220 4.712 1.00 53.42 N ATOM 2840 CA PHE B 84 9.843 35.180 4.384 1.00 42.43 C ATOM 2841 C PHE B 84 9.014 34.792 5.605 1.00 52.55 C ATOM 2842 O PHE B 84 9.534 34.689 6.715 1.00 52.41 O ATOM 2843 CB PHE B 84 9.589 34.191 3.245 1.00 71.00 C ATOM 2844 CG PHE B 84 9.182 34.849 1.958 1.00 12.12 C ATOM 2845 CD1 PHE B 84 7.919 35.399 1.815 1.00 2.13 C ATOM 2846 CD2 PHE B 84 10.063 34.918 0.890 1.00 61.02 C ATOM 2847 CE1 PHE B 84 7.541 36.006 0.633 1.00 63.12 C ATOM 2848 CE2 PHE B 84 9.691 35.524 -0.294 1.00 75.43 C ATOM 2849 CZ PHE B 84 8.428 36.068 -0.424 1.00 4.43 C ATOM 0 H PHE B 84 11.607 34.391 5.196 1.00 53.42 H new ATOM 0 HA PHE B 84 9.541 36.177 4.064 1.00 42.43 H new ATOM 0 HB2 PHE B 84 10.493 33.606 3.074 1.00 71.00 H new ATOM 0 HB3 PHE B 84 8.810 33.492 3.549 1.00 71.00 H new ATOM 0 HD1 PHE B 84 7.221 35.353 2.638 1.00 2.13 H new ATOM 0 HD2 PHE B 84 11.051 34.493 0.985 1.00 61.02 H new ATOM 0 HE1 PHE B 84 6.553 36.432 0.536 1.00 63.12 H new ATOM 0 HE2 PHE B 84 10.387 35.573 -1.118 1.00 75.43 H new ATOM 0 HZ PHE B 84 8.135 36.541 -1.350 1.00 4.43 H new ATOM 2859 N GLY B 85 7.719 34.577 5.389 1.00 21.14 N ATOM 2860 CA GLY B 85 6.838 34.204 6.480 1.00 12.21 C ATOM 2861 C GLY B 85 6.503 35.375 7.383 1.00 31.01 C ATOM 2862 O GLY B 85 7.380 35.917 8.056 1.00 44.13 O ATOM 0 H GLY B 85 7.265 34.655 4.479 1.00 21.14 H new ATOM 0 HA2 GLY B 85 5.916 33.789 6.072 1.00 12.21 H new ATOM 0 HA3 GLY B 85 7.309 33.418 7.070 1.00 12.21 H new ATOM 2866 N GLN B 86 5.234 35.767 7.394 1.00 3.43 N ATOM 2867 CA GLN B 86 4.788 36.884 8.219 1.00 12.21 C ATOM 2868 C GLN B 86 5.219 36.697 9.670 1.00 13.14 C ATOM 2869 O GLN B 86 5.596 35.599 10.078 1.00 55.43 O ATOM 2870 CB GLN B 86 3.267 37.026 8.142 1.00 53.42 C ATOM 2871 CG GLN B 86 2.801 38.446 7.861 1.00 53.00 C ATOM 2872 CD GLN B 86 2.010 38.555 6.572 1.00 33.32 C ATOM 2873 OE1 GLN B 86 2.372 39.310 5.669 1.00 54.14 O ATOM 2874 NE2 GLN B 86 0.921 37.801 6.480 1.00 34.34 N ATOM 0 H GLN B 86 4.497 35.329 6.842 1.00 3.43 H new ATOM 0 HA GLN B 86 5.252 37.793 7.836 1.00 12.21 H new ATOM 0 HB2 GLN B 86 2.888 36.367 7.361 1.00 53.42 H new ATOM 0 HB3 GLN B 86 2.831 36.689 9.082 1.00 53.42 H new ATOM 0 HG2 GLN B 86 2.186 38.794 8.691 1.00 53.00 H new ATOM 0 HG3 GLN B 86 3.667 39.105 7.808 1.00 53.00 H new ATOM 0 HE21 GLN B 86 0.658 37.189 7.252 1.00 34.34 H new ATOM 0 HE22 GLN B 86 0.348 37.834 5.637 1.00 34.34 H new ATOM 2883 N ASN B 87 5.163 37.776 10.444 1.00 61.14 N ATOM 2884 CA ASN B 87 5.550 37.729 11.849 1.00 22.41 C ATOM 2885 C ASN B 87 4.947 38.902 12.618 1.00 34.44 C ATOM 2886 O ASN B 87 4.454 39.859 12.022 1.00 43.53 O ATOM 2887 CB ASN B 87 7.074 37.750 11.980 1.00 1.54 C ATOM 2888 CG ASN B 87 7.677 39.064 11.523 1.00 64.20 C ATOM 2889 OD1 ASN B 87 8.141 39.863 12.336 1.00 64.54 O ATOM 2890 ND2 ASN B 87 7.673 39.294 10.215 1.00 70.15 N ATOM 0 H ASN B 87 4.854 38.693 10.122 1.00 61.14 H new ATOM 0 HA ASN B 87 5.167 36.802 12.275 1.00 22.41 H new ATOM 0 HB2 ASN B 87 7.349 37.570 13.019 1.00 1.54 H new ATOM 0 HB3 ASN B 87 7.497 36.936 11.392 1.00 1.54 H new ATOM 0 HD21 ASN B 87 8.065 40.161 9.848 1.00 70.15 H new ATOM 0 HD22 ASN B 87 7.278 38.603 9.577 1.00 70.15 H new ATOM 2897 N GLU B 88 4.990 38.817 13.943 1.00 72.14 N ATOM 2898 CA GLU B 88 4.447 39.871 14.793 1.00 60.50 C ATOM 2899 C GLU B 88 5.567 40.635 15.494 1.00 51.31 C ATOM 2900 O GLU B 88 5.468 40.957 16.679 1.00 64.11 O ATOM 2901 CB GLU B 88 3.491 39.278 15.831 1.00 11.22 C ATOM 2902 CG GLU B 88 2.256 38.635 15.224 1.00 72.12 C ATOM 2903 CD GLU B 88 2.235 37.129 15.400 1.00 70.14 C ATOM 2904 OE1 GLU B 88 2.997 36.439 14.692 1.00 44.44 O ATOM 2905 OE2 GLU B 88 1.458 36.641 16.247 1.00 31.35 O ATOM 0 H GLU B 88 5.394 38.031 14.451 1.00 72.14 H new ATOM 0 HA GLU B 88 3.897 40.567 14.159 1.00 60.50 H new ATOM 0 HB2 GLU B 88 4.025 38.533 16.421 1.00 11.22 H new ATOM 0 HB3 GLU B 88 3.180 40.065 16.518 1.00 11.22 H new ATOM 0 HG2 GLU B 88 1.365 39.063 15.684 1.00 72.12 H new ATOM 0 HG3 GLU B 88 2.212 38.873 14.161 1.00 72.12 H new ATOM 2912 N THR B 89 6.633 40.922 14.754 1.00 72.22 N ATOM 2913 CA THR B 89 7.772 41.646 15.303 1.00 72.03 C ATOM 2914 C THR B 89 8.806 41.945 14.224 1.00 64.32 C ATOM 2915 O THR B 89 9.874 41.333 14.185 1.00 11.41 O ATOM 2916 CB THR B 89 8.447 40.854 16.440 1.00 44.43 C ATOM 2917 OG1 THR B 89 9.686 41.474 16.800 1.00 72.23 O ATOM 2918 CG2 THR B 89 8.698 39.414 16.020 1.00 55.41 C ATOM 0 H THR B 89 6.731 40.664 13.772 1.00 72.22 H new ATOM 0 HA THR B 89 7.387 42.584 15.703 1.00 72.03 H new ATOM 0 HB THR B 89 7.778 40.854 17.301 1.00 44.43 H new ATOM 0 HG1 THR B 89 10.281 41.491 16.022 1.00 72.23 H new ATOM 0 HG21 THR B 89 9.175 38.874 16.838 1.00 55.41 H new ATOM 0 HG22 THR B 89 7.750 38.936 15.774 1.00 55.41 H new ATOM 0 HG23 THR B 89 9.349 39.398 15.146 1.00 55.41 H new ATOM 2926 N THR B 90 8.484 42.891 13.347 1.00 33.34 N ATOM 2927 CA THR B 90 9.384 43.271 12.266 1.00 70.14 C ATOM 2928 C THR B 90 9.991 44.647 12.515 1.00 13.32 C ATOM 2929 O THR B 90 9.347 45.526 13.088 1.00 24.44 O ATOM 2930 CB THR B 90 8.659 43.280 10.908 1.00 21.30 C ATOM 2931 OG1 THR B 90 9.576 43.632 9.866 1.00 24.01 O ATOM 2932 CG2 THR B 90 7.498 44.263 10.921 1.00 74.34 C ATOM 0 H THR B 90 7.605 43.408 13.365 1.00 33.34 H new ATOM 0 HA THR B 90 10.179 42.525 12.239 1.00 70.14 H new ATOM 0 HB THR B 90 8.266 42.280 10.724 1.00 21.30 H new ATOM 0 HG1 THR B 90 9.108 43.634 9.005 1.00 24.01 H new ATOM 0 HG21 THR B 90 7.001 44.252 9.951 1.00 74.34 H new ATOM 0 HG22 THR B 90 6.787 43.976 11.696 1.00 74.34 H new ATOM 0 HG23 THR B 90 7.873 45.266 11.125 1.00 74.34 H new ATOM 2940 N SER B 91 11.234 44.828 12.080 1.00 21.33 N ATOM 2941 CA SER B 91 11.930 46.097 12.258 1.00 52.45 C ATOM 2942 C SER B 91 12.456 46.620 10.925 1.00 40.41 C ATOM 2943 O SER B 91 12.603 45.879 9.953 1.00 20.02 O ATOM 2944 CB SER B 91 13.086 45.936 13.248 1.00 73.32 C ATOM 2945 OG SER B 91 13.556 44.599 13.268 1.00 4.32 O ATOM 0 H SER B 91 11.780 44.111 11.602 1.00 21.33 H new ATOM 0 HA SER B 91 11.218 46.820 12.657 1.00 52.45 H new ATOM 0 HB2 SER B 91 13.900 46.607 12.974 1.00 73.32 H new ATOM 0 HB3 SER B 91 12.757 46.225 14.246 1.00 73.32 H new ATOM 0 HG SER B 91 14.295 44.522 13.907 1.00 4.32 H new ATOM 2951 N PRO B 92 12.747 47.929 10.877 1.00 53.44 N ATOM 2952 CA PRO B 92 13.262 48.581 9.669 1.00 21.04 C ATOM 2953 C PRO B 92 14.688 48.153 9.342 1.00 43.21 C ATOM 2954 O PRO B 92 15.533 48.042 10.231 1.00 61.11 O ATOM 2955 CB PRO B 92 13.219 50.070 10.025 1.00 71.35 C ATOM 2956 CG PRO B 92 13.303 50.106 11.512 1.00 30.20 C ATOM 2957 CD PRO B 92 12.595 48.872 11.997 1.00 2.15 C ATOM 0 HA PRO B 92 12.678 48.322 8.786 1.00 21.04 H new ATOM 0 HB2 PRO B 92 14.048 50.610 9.568 1.00 71.35 H new ATOM 0 HB3 PRO B 92 12.300 50.536 9.669 1.00 71.35 H new ATOM 0 HG2 PRO B 92 14.341 50.116 11.844 1.00 30.20 H new ATOM 0 HG3 PRO B 92 12.833 51.006 11.908 1.00 30.20 H new ATOM 0 HD2 PRO B 92 13.044 48.485 12.912 1.00 2.15 H new ATOM 0 HD3 PRO B 92 11.546 49.070 12.216 1.00 2.15 H new ATOM 2965 N HIS B 93 14.951 47.912 8.061 1.00 34.50 N ATOM 2966 CA HIS B 93 16.276 47.496 7.618 1.00 54.15 C ATOM 2967 C HIS B 93 17.331 48.523 8.018 1.00 12.25 C ATOM 2968 O HIS B 93 17.237 49.698 7.657 1.00 33.42 O ATOM 2969 CB HIS B 93 16.290 47.299 6.101 1.00 0.42 C ATOM 2970 CG HIS B 93 17.140 46.149 5.655 1.00 62.42 C ATOM 2971 ND1 HIS B 93 18.419 46.305 5.163 1.00 13.24 N ATOM 2972 CD2 HIS B 93 16.888 44.820 5.629 1.00 50.12 C ATOM 2973 CE1 HIS B 93 18.917 45.121 4.854 1.00 55.53 C ATOM 2974 NE2 HIS B 93 18.008 44.202 5.128 1.00 23.02 N ATOM 0 H HIS B 93 14.264 47.998 7.312 1.00 34.50 H new ATOM 0 HA HIS B 93 16.514 46.549 8.103 1.00 54.15 H new ATOM 0 HB2 HIS B 93 15.269 47.142 5.754 1.00 0.42 H new ATOM 0 HB3 HIS B 93 16.651 48.212 5.627 1.00 0.42 H new ATOM 0 HD2 HIS B 93 15.976 44.335 5.944 1.00 50.12 H new ATOM 0 HE1 HIS B 93 19.900 44.936 4.447 1.00 55.53 H new ATOM 0 HE2 HIS B 93 18.120 43.198 4.990 1.00 23.02 H new ATOM 2982 N SER B 94 18.333 48.075 8.767 1.00 3.43 N ATOM 2983 CA SER B 94 19.402 48.956 9.221 1.00 1.32 C ATOM 2984 C SER B 94 20.625 48.150 9.648 1.00 64.45 C ATOM 2985 O SER B 94 20.508 47.147 10.349 1.00 61.34 O ATOM 2986 CB SER B 94 18.918 49.823 10.385 1.00 12.44 C ATOM 2987 OG SER B 94 18.381 51.049 9.918 1.00 54.11 O ATOM 0 H SER B 94 18.427 47.106 9.072 1.00 3.43 H new ATOM 0 HA SER B 94 19.685 49.601 8.389 1.00 1.32 H new ATOM 0 HB2 SER B 94 18.161 49.284 10.954 1.00 12.44 H new ATOM 0 HB3 SER B 94 19.747 50.021 11.065 1.00 12.44 H new ATOM 0 HG SER B 94 17.878 50.892 9.092 1.00 54.11 H new ATOM 2993 N GLY B 95 21.801 48.599 9.217 1.00 1.35 N ATOM 2994 CA GLY B 95 23.030 47.908 9.562 1.00 64.00 C ATOM 2995 C GLY B 95 24.131 48.140 8.545 1.00 62.35 C ATOM 2996 O GLY B 95 24.346 47.316 7.657 1.00 43.33 O ATOM 0 H GLY B 95 21.924 49.428 8.636 1.00 1.35 H new ATOM 0 HA2 GLY B 95 23.369 48.243 10.542 1.00 64.00 H new ATOM 0 HA3 GLY B 95 22.832 46.839 9.641 1.00 64.00 H new ATOM 3000 N GLN B 96 24.827 49.265 8.675 1.00 50.51 N ATOM 3001 CA GLN B 96 25.910 49.602 7.759 1.00 72.12 C ATOM 3002 C GLN B 96 26.861 50.613 8.389 1.00 65.24 C ATOM 3003 O GLN B 96 26.433 51.647 8.905 1.00 63.21 O ATOM 3004 CB GLN B 96 25.344 50.160 6.452 1.00 43.41 C ATOM 3005 CG GLN B 96 25.370 49.166 5.303 1.00 33.45 C ATOM 3006 CD GLN B 96 24.231 49.374 4.325 1.00 33.12 C ATOM 3007 OE1 GLN B 96 23.555 48.424 3.930 1.00 74.24 O ATOM 3008 NE2 GLN B 96 24.012 50.622 3.928 1.00 2.42 N ATOM 0 H GLN B 96 24.660 49.958 9.405 1.00 50.51 H new ATOM 0 HA GLN B 96 26.469 48.691 7.545 1.00 72.12 H new ATOM 0 HB2 GLN B 96 24.316 50.482 6.619 1.00 43.41 H new ATOM 0 HB3 GLN B 96 25.913 51.045 6.168 1.00 43.41 H new ATOM 0 HG2 GLN B 96 26.319 49.253 4.774 1.00 33.45 H new ATOM 0 HG3 GLN B 96 25.320 48.153 5.703 1.00 33.45 H new ATOM 0 HE21 GLN B 96 24.597 51.379 4.281 1.00 2.42 H new ATOM 0 HE22 GLN B 96 23.259 50.823 3.270 1.00 2.42 H new ATOM 3017 N LYS B 97 28.154 50.311 8.344 1.00 34.32 N ATOM 3018 CA LYS B 97 29.167 51.193 8.909 1.00 14.32 C ATOM 3019 C LYS B 97 30.267 51.480 7.892 1.00 71.32 C ATOM 3020 O LYS B 97 30.456 50.727 6.935 1.00 33.34 O ATOM 3021 CB LYS B 97 29.772 50.569 10.168 1.00 35.20 C ATOM 3022 CG LYS B 97 30.692 49.394 9.883 1.00 51.33 C ATOM 3023 CD LYS B 97 30.764 48.443 11.066 1.00 44.12 C ATOM 3024 CE LYS B 97 32.055 47.639 11.056 1.00 74.43 C ATOM 3025 NZ LYS B 97 32.221 46.841 12.303 1.00 5.41 N ATOM 0 H LYS B 97 28.525 49.460 7.921 1.00 34.32 H new ATOM 0 HA LYS B 97 28.686 52.135 9.173 1.00 14.32 H new ATOM 0 HB2 LYS B 97 30.329 51.333 10.710 1.00 35.20 H new ATOM 0 HB3 LYS B 97 28.966 50.238 10.823 1.00 35.20 H new ATOM 0 HG2 LYS B 97 30.336 48.857 9.004 1.00 51.33 H new ATOM 0 HG3 LYS B 97 31.691 49.761 9.649 1.00 51.33 H new ATOM 0 HD2 LYS B 97 30.694 49.010 11.995 1.00 44.12 H new ATOM 0 HD3 LYS B 97 29.911 47.765 11.041 1.00 44.12 H new ATOM 0 HE2 LYS B 97 32.061 46.972 10.194 1.00 74.43 H new ATOM 0 HE3 LYS B 97 32.903 48.315 10.941 1.00 74.43 H new ATOM 0 HZ1 LYS B 97 33.112 46.307 12.258 1.00 5.41 H new ATOM 0 HZ2 LYS B 97 32.241 47.480 13.124 1.00 5.41 H new ATOM 0 HZ3 LYS B 97 31.425 46.178 12.400 1.00 5.41 H new ATOM 3039 N THR B 98 30.995 52.572 8.106 1.00 34.52 N ATOM 3040 CA THR B 98 32.077 52.957 7.208 1.00 3.20 C ATOM 3041 C THR B 98 33.359 52.201 7.536 1.00 4.23 C ATOM 3042 O THR B 98 33.637 51.904 8.697 1.00 73.42 O ATOM 3043 CB THR B 98 32.355 54.471 7.280 1.00 33.41 C ATOM 3044 OG1 THR B 98 32.628 54.855 8.632 1.00 41.12 O ATOM 3045 CG2 THR B 98 31.168 55.265 6.752 1.00 31.23 C ATOM 0 H THR B 98 30.855 53.205 8.893 1.00 34.52 H new ATOM 0 HA THR B 98 31.756 52.701 6.198 1.00 3.20 H new ATOM 0 HB THR B 98 33.223 54.689 6.658 1.00 33.41 H new ATOM 0 HG1 THR B 98 32.805 55.818 8.669 1.00 41.12 H new ATOM 0 HG21 THR B 98 31.387 56.331 6.813 1.00 31.23 H new ATOM 0 HG22 THR B 98 30.980 54.992 5.714 1.00 31.23 H new ATOM 0 HG23 THR B 98 30.285 55.042 7.351 1.00 31.23 H new ATOM 3053 N GLY B 99 34.139 51.892 6.504 1.00 24.23 N ATOM 3054 CA GLY B 99 35.383 51.174 6.705 1.00 5.30 C ATOM 3055 C GLY B 99 36.485 52.062 7.249 1.00 13.10 C ATOM 3056 O GLY B 99 37.035 51.796 8.318 1.00 22.51 O ATOM 0 H GLY B 99 33.931 52.126 5.533 1.00 24.23 H new ATOM 0 HA2 GLY B 99 35.214 50.347 7.394 1.00 5.30 H new ATOM 0 HA3 GLY B 99 35.705 50.740 5.759 1.00 5.30 H new TER 3060 GLY B 99