USER MOD reduce.3.24.130724 H: found=0, std=0, add=1510, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1510 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: B 27 THR OG1 : rot 180:sc= -0.583 USER MOD Set 1.2: B 64 ASN : amide:sc= -0.404 K(o=-1.4,f=-2.9) USER MOD Set 1.3: B 68 GLN : amide:sc= -0.444 X(o=-1.4,f=-1.7) USER MOD Set 2.1: B 18 TYR OH : rot 15:sc= 0.275 USER MOD Set 2.2: B 35 GLN : amide:sc= 0.291 X(o=0.57,f=0.81) USER MOD Set 3.1: B 2 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: B 7 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.014) USER MOD Set 4.1: A 27 THR OG1 : rot 180:sc= -0.525 USER MOD Set 4.2: A 64 ASN : amide:sc= -0.397 K(o=-1.3,f=-2.8!) USER MOD Set 4.3: A 68 GLN : amide:sc= -0.426 X(o=-1.3,f=-1.6) USER MOD Set 5.1: A 18 TYR OH : rot 0:sc= 0.326 USER MOD Set 5.2: A 35 GLN : amide:sc= 0.368 X(o=0.69,f=0.95) USER MOD Set 6.1: A 2 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 7 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 1 MET CE :methyl -124:sc= -0.411 (180deg=-3.2!) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.0605 (180deg=-0.124) USER MOD Single : A 3 LYS NZ :NH3+ -163:sc= 0.487 (180deg=-0.335) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 17 GLN : amide:sc= -0.808 K(o=-0.81,f=-0.054) USER MOD Single : A 19 SER OG : rot 31:sc= 1.28 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= 0.0515 (180deg=-0.227) USER MOD Single : A 34 LYS NZ :NH3+ -174:sc=-0.00324 (180deg=-0.0876) USER MOD Single : A 38 THR OG1 : rot -80:sc= 1.18 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.055) USER MOD Single : A 44 THR OG1 : rot 140:sc= -2.41! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0725 K(o=-0.073,f=-2!) USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= -0.0947 (180deg=-0.343) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= -0.0242 (180deg=-0.24) USER MOD Single : A 59 GLN : amide:sc= -0.011 K(o=-0.011,f=-1.1) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -110:sc= -0.118 (180deg=-2.46!) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HE2:sc= 0.593 K(o=0.59,f=-5.7!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.037) USER MOD Single : A 91 LYS NZ :NH3+ 170:sc= -0.0015 (180deg=-0.111) USER MOD Single : B 1 MET CE :methyl -125:sc= -0.387 (180deg=-3.03!) USER MOD Single : B 1 MET N :NH3+ -136:sc= 0.0566 (180deg=-0.0908) USER MOD Single : B 3 LYS NZ :NH3+ -164:sc= 0.379 (180deg=-0.413) USER MOD Single : B 13 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : B 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 17 GLN : amide:sc= -0.779 K(o=-0.78,f=-0.043) USER MOD Single : B 19 SER OG : rot 26:sc= 1.28 USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 150:sc= 0.036 (180deg=-0.243) USER MOD Single : B 34 LYS NZ :NH3+ -174:sc=-0.000841 (180deg=-0.0561) USER MOD Single : B 38 THR OG1 : rot -92:sc= 1.23 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.079) USER MOD Single : B 44 THR OG1 : rot 140:sc= -2.28! USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 ASN : amide:sc= -0.0731 K(o=-0.073,f=-2.1!) USER MOD Single : B 49 LYS NZ :NH3+ -164:sc= -0.0744 (180deg=-0.353) USER MOD Single : B 51 LYS NZ :NH3+ -169:sc= -0.0227 (180deg=-0.218) USER MOD Single : B 59 GLN : amide:sc= 0.0748 K(o=0.075,f=-0.97) USER MOD Single : B 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 72 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : B 76 SER OG : rot 180:sc= 0 USER MOD Single : B 83 LYS NZ :NH3+ -110:sc= -0.117 (180deg=-2.49!) USER MOD Single : B 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HE2:sc= 0.707 K(o=0.71,f=-5.7!) USER MOD Single : B 89 THR OG1 : rot 180:sc= 0 USER MOD Single : B 90 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.03) USER MOD Single : B 91 LYS NZ :NH3+ 171:sc=-0.00962 (180deg=-0.123) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.007 -1.366 14.383 1.00 4.69 N ATOM 2 CA MET A 1 -9.462 -0.457 13.307 1.00 4.21 C ATOM 3 C MET A 1 -8.428 0.632 13.087 1.00 3.60 C ATOM 4 O MET A 1 -7.521 0.807 13.900 1.00 4.04 O ATOM 5 CB MET A 1 -10.810 0.176 13.668 1.00 4.50 C ATOM 6 CG MET A 1 -11.920 -0.833 13.909 1.00 5.00 C ATOM 7 SD MET A 1 -12.221 -1.900 12.487 1.00 5.79 S ATOM 8 CE MET A 1 -12.818 -0.716 11.283 1.00 6.42 C ATOM 0 H1 MET A 1 -9.048 -2.349 14.047 1.00 4.69 H new ATOM 0 H2 MET A 1 -8.029 -1.131 14.646 1.00 4.69 H new ATOM 0 H3 MET A 1 -9.624 -1.257 15.213 1.00 4.69 H new ATOM 0 HA MET A 1 -9.584 -1.036 12.391 1.00 4.21 H new ATOM 0 HB2 MET A 1 -10.686 0.785 14.563 1.00 4.50 H new ATOM 0 HB3 MET A 1 -11.111 0.848 12.864 1.00 4.50 H new ATOM 0 HG2 MET A 1 -11.663 -1.449 14.771 1.00 5.00 H new ATOM 0 HG3 MET A 1 -12.838 -0.302 14.159 1.00 5.00 H new ATOM 0 HE1 MET A 1 -13.797 -1.028 10.920 1.00 6.42 H new ATOM 0 HE2 MET A 1 -12.900 0.266 11.748 1.00 6.42 H new ATOM 0 HE3 MET A 1 -12.121 -0.665 10.447 1.00 6.42 H new ATOM 20 N THR A 2 -8.562 1.352 11.990 1.00 3.06 N ATOM 21 CA THR A 2 -7.656 2.435 11.666 1.00 2.90 C ATOM 22 C THR A 2 -8.390 3.770 11.750 1.00 2.45 C ATOM 23 O THR A 2 -9.224 4.080 10.911 1.00 3.04 O ATOM 24 CB THR A 2 -7.065 2.248 10.252 1.00 3.67 C ATOM 25 OG1 THR A 2 -6.380 0.989 10.176 1.00 4.25 O ATOM 26 CG2 THR A 2 -6.103 3.371 9.897 1.00 4.23 C ATOM 0 H THR A 2 -9.299 1.203 11.301 1.00 3.06 H new ATOM 0 HA THR A 2 -6.838 2.428 12.386 1.00 2.90 H new ATOM 0 HB THR A 2 -7.889 2.268 9.539 1.00 3.67 H new ATOM 0 HG1 THR A 2 -6.007 0.873 9.277 1.00 4.25 H new ATOM 0 HG21 THR A 2 -5.706 3.207 8.895 1.00 4.23 H new ATOM 0 HG22 THR A 2 -6.630 4.325 9.927 1.00 4.23 H new ATOM 0 HG23 THR A 2 -5.282 3.387 10.614 1.00 4.23 H new ATOM 34 N LYS A 3 -8.115 4.539 12.788 1.00 2.16 N ATOM 35 CA LYS A 3 -8.739 5.845 12.935 1.00 2.53 C ATOM 36 C LYS A 3 -7.678 6.936 12.845 1.00 2.08 C ATOM 37 O LYS A 3 -7.974 8.132 12.852 1.00 2.81 O ATOM 38 CB LYS A 3 -9.506 5.914 14.259 1.00 3.53 C ATOM 39 CG LYS A 3 -10.489 7.074 14.353 1.00 4.29 C ATOM 40 CD LYS A 3 -11.515 7.076 13.216 1.00 5.38 C ATOM 41 CE LYS A 3 -12.305 5.771 13.127 1.00 5.97 C ATOM 42 NZ LYS A 3 -11.688 4.796 12.180 1.00 6.05 N ATOM 0 H LYS A 3 -7.470 4.287 13.537 1.00 2.16 H new ATOM 0 HA LYS A 3 -9.454 6.002 12.128 1.00 2.53 H new ATOM 0 HB2 LYS A 3 -10.050 4.980 14.400 1.00 3.53 H new ATOM 0 HB3 LYS A 3 -8.790 5.992 15.077 1.00 3.53 H new ATOM 0 HG2 LYS A 3 -11.012 7.025 15.308 1.00 4.29 H new ATOM 0 HG3 LYS A 3 -9.937 8.014 14.340 1.00 4.29 H new ATOM 0 HD2 LYS A 3 -12.208 7.905 13.360 1.00 5.38 H new ATOM 0 HD3 LYS A 3 -11.002 7.250 12.270 1.00 5.38 H new ATOM 0 HE2 LYS A 3 -12.370 5.320 14.117 1.00 5.97 H new ATOM 0 HE3 LYS A 3 -13.325 5.988 12.808 1.00 5.97 H new ATOM 0 HZ1 LYS A 3 -12.385 4.065 11.932 1.00 6.05 H new ATOM 0 HZ2 LYS A 3 -11.386 5.293 11.318 1.00 6.05 H new ATOM 0 HZ3 LYS A 3 -10.863 4.350 12.630 1.00 6.05 H new ATOM 56 N LEU A 4 -6.435 6.500 12.753 1.00 1.61 N ATOM 57 CA LEU A 4 -5.313 7.390 12.533 1.00 1.98 C ATOM 58 C LEU A 4 -4.433 6.789 11.447 1.00 1.51 C ATOM 59 O LEU A 4 -4.405 5.570 11.278 1.00 2.03 O ATOM 60 CB LEU A 4 -4.520 7.584 13.830 1.00 3.02 C ATOM 61 CG LEU A 4 -3.377 8.601 13.757 1.00 3.80 C ATOM 62 CD1 LEU A 4 -3.910 9.987 13.426 1.00 4.50 C ATOM 63 CD2 LEU A 4 -2.606 8.625 15.067 1.00 4.44 C ATOM 0 H LEU A 4 -6.176 5.516 12.829 1.00 1.61 H new ATOM 0 HA LEU A 4 -5.670 8.370 12.217 1.00 1.98 H new ATOM 0 HB2 LEU A 4 -5.210 7.895 14.614 1.00 3.02 H new ATOM 0 HB3 LEU A 4 -4.108 6.621 14.131 1.00 3.02 H new ATOM 0 HG LEU A 4 -2.698 8.298 12.960 1.00 3.80 H new ATOM 0 HD11 LEU A 4 -3.082 10.694 13.379 1.00 4.50 H new ATOM 0 HD12 LEU A 4 -4.419 9.960 12.463 1.00 4.50 H new ATOM 0 HD13 LEU A 4 -4.612 10.301 14.199 1.00 4.50 H new ATOM 0 HD21 LEU A 4 -1.797 9.352 15.000 1.00 4.44 H new ATOM 0 HD22 LEU A 4 -3.277 8.903 15.879 1.00 4.44 H new ATOM 0 HD23 LEU A 4 -2.190 7.637 15.262 1.00 4.44 H new ATOM 75 N GLU A 5 -3.708 7.626 10.724 1.00 1.20 N ATOM 76 CA GLU A 5 -2.941 7.169 9.569 1.00 0.93 C ATOM 77 C GLU A 5 -1.632 6.495 9.979 1.00 0.69 C ATOM 78 O GLU A 5 -0.624 6.616 9.294 1.00 0.68 O ATOM 79 CB GLU A 5 -2.686 8.322 8.584 1.00 1.39 C ATOM 80 CG GLU A 5 -2.763 9.720 9.191 1.00 1.80 C ATOM 81 CD GLU A 5 -1.553 10.084 10.026 1.00 2.48 C ATOM 82 OE1 GLU A 5 -1.361 9.480 11.099 1.00 3.10 O ATOM 83 OE2 GLU A 5 -0.806 11.000 9.623 1.00 3.00 O ATOM 0 H GLU A 5 -3.632 8.625 10.913 1.00 1.20 H new ATOM 0 HA GLU A 5 -3.543 6.415 9.061 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -1.699 8.189 8.141 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -3.412 8.254 7.773 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -2.874 10.450 8.389 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -3.657 9.789 9.811 1.00 1.80 H new ATOM 90 N GLU A 6 -1.678 5.744 11.072 1.00 0.68 N ATOM 91 CA GLU A 6 -0.518 5.012 11.565 1.00 0.67 C ATOM 92 C GLU A 6 -0.053 3.990 10.532 1.00 0.54 C ATOM 93 O GLU A 6 1.137 3.729 10.383 1.00 0.60 O ATOM 94 CB GLU A 6 -0.867 4.291 12.868 1.00 0.78 C ATOM 95 CG GLU A 6 -1.388 5.210 13.958 1.00 1.07 C ATOM 96 CD GLU A 6 -1.830 4.451 15.191 1.00 1.79 C ATOM 97 OE1 GLU A 6 -0.971 4.149 16.046 1.00 2.51 O ATOM 98 OE2 GLU A 6 -3.038 4.144 15.304 1.00 2.48 O ATOM 0 H GLU A 6 -2.517 5.625 11.640 1.00 0.68 H new ATOM 0 HA GLU A 6 0.285 5.726 11.748 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -1.617 3.528 12.660 1.00 0.78 H new ATOM 0 HB3 GLU A 6 0.020 3.774 13.235 1.00 0.78 H new ATOM 0 HG2 GLU A 6 -0.609 5.921 14.233 1.00 1.07 H new ATOM 0 HG3 GLU A 6 -2.227 5.789 13.571 1.00 1.07 H new ATOM 105 N HIS A 7 -1.007 3.430 9.805 1.00 0.42 N ATOM 106 CA HIS A 7 -0.709 2.396 8.826 1.00 0.38 C ATOM 107 C HIS A 7 -0.101 3.010 7.567 1.00 0.35 C ATOM 108 O HIS A 7 1.023 2.677 7.190 1.00 0.39 O ATOM 109 CB HIS A 7 -1.973 1.596 8.479 1.00 0.43 C ATOM 110 CG HIS A 7 -2.515 0.781 9.621 1.00 0.95 C ATOM 111 ND1 HIS A 7 -2.512 -0.598 9.631 1.00 1.73 N ATOM 112 CD2 HIS A 7 -3.087 1.159 10.790 1.00 1.60 C ATOM 113 CE1 HIS A 7 -3.058 -1.028 10.756 1.00 2.16 C ATOM 114 NE2 HIS A 7 -3.413 0.016 11.476 1.00 2.03 N ATOM 0 H HIS A 7 -1.995 3.674 9.874 1.00 0.42 H new ATOM 0 HA HIS A 7 0.019 1.712 9.262 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -2.746 2.286 8.140 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -1.752 0.931 7.644 1.00 0.43 H new ATOM 0 HD2 HIS A 7 -3.255 2.173 11.121 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -3.191 -2.062 11.037 1.00 2.16 H new ATOM 0 HE2 HIS A 7 -3.858 -0.019 12.393 1.00 2.03 H new ATOM 123 N LEU A 8 -0.843 3.919 6.941 1.00 0.34 N ATOM 124 CA LEU A 8 -0.392 4.596 5.725 1.00 0.32 C ATOM 125 C LEU A 8 0.839 5.451 5.988 1.00 0.33 C ATOM 126 O LEU A 8 1.902 5.227 5.410 1.00 0.33 O ATOM 127 CB LEU A 8 -1.516 5.474 5.193 1.00 0.33 C ATOM 128 CG LEU A 8 -2.813 4.724 4.892 1.00 0.32 C ATOM 129 CD1 LEU A 8 -3.896 5.688 4.459 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.587 3.657 3.833 1.00 0.33 C ATOM 0 H LEU A 8 -1.769 4.207 7.258 1.00 0.34 H new ATOM 0 HA LEU A 8 -0.125 3.837 4.990 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.724 6.258 5.921 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -1.176 5.967 4.282 1.00 0.33 H new ATOM 0 HG LEU A 8 -3.141 4.229 5.806 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.812 5.136 4.249 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -4.081 6.409 5.255 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.576 6.215 3.560 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.524 3.136 3.635 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.231 4.125 2.915 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -1.844 2.943 4.188 1.00 0.33 H new ATOM 142 N GLU A 9 0.696 6.418 6.882 1.00 0.37 N ATOM 143 CA GLU A 9 1.770 7.352 7.163 1.00 0.40 C ATOM 144 C GLU A 9 2.912 6.622 7.859 1.00 0.40 C ATOM 145 O GLU A 9 4.062 7.028 7.768 1.00 0.42 O ATOM 146 CB GLU A 9 1.240 8.520 8.006 1.00 0.47 C ATOM 147 CG GLU A 9 2.129 9.757 8.025 1.00 1.24 C ATOM 148 CD GLU A 9 3.252 9.678 9.040 1.00 1.72 C ATOM 149 OE1 GLU A 9 3.002 9.228 10.180 1.00 2.17 O ATOM 150 OE2 GLU A 9 4.390 10.078 8.706 1.00 2.41 O ATOM 0 H GLU A 9 -0.154 6.574 7.424 1.00 0.37 H new ATOM 0 HA GLU A 9 2.155 7.767 6.232 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.257 8.803 7.629 1.00 0.47 H new ATOM 0 HB3 GLU A 9 1.101 8.175 9.031 1.00 0.47 H new ATOM 0 HG2 GLU A 9 2.556 9.903 7.033 1.00 1.24 H new ATOM 0 HG3 GLU A 9 1.516 10.632 8.240 1.00 1.24 H new ATOM 157 N GLY A 10 2.589 5.520 8.531 1.00 0.40 N ATOM 158 CA GLY A 10 3.611 4.693 9.136 1.00 0.43 C ATOM 159 C GLY A 10 4.542 4.078 8.110 1.00 0.39 C ATOM 160 O GLY A 10 5.753 4.066 8.301 1.00 0.44 O ATOM 0 H GLY A 10 1.634 5.187 8.666 1.00 0.40 H new ATOM 0 HA2 GLY A 10 4.192 5.293 9.836 1.00 0.43 H new ATOM 0 HA3 GLY A 10 3.137 3.899 9.714 1.00 0.43 H new ATOM 164 N ILE A 11 3.981 3.572 7.012 1.00 0.34 N ATOM 165 CA ILE A 11 4.792 2.998 5.939 1.00 0.33 C ATOM 166 C ILE A 11 5.648 4.088 5.295 1.00 0.33 C ATOM 167 O ILE A 11 6.848 3.909 5.071 1.00 0.38 O ATOM 168 CB ILE A 11 3.914 2.304 4.869 1.00 0.35 C ATOM 169 CG1 ILE A 11 3.217 1.075 5.460 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.746 1.905 3.661 1.00 0.50 C ATOM 171 CD1 ILE A 11 4.175 -0.014 5.904 1.00 1.16 C ATOM 0 H ILE A 11 2.975 3.548 6.843 1.00 0.34 H new ATOM 0 HA ILE A 11 5.440 2.239 6.376 1.00 0.33 H new ATOM 0 HB ILE A 11 3.154 3.015 4.544 1.00 0.35 H new ATOM 0 HG12 ILE A 11 2.613 1.386 6.313 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.533 0.664 4.718 1.00 0.41 H new ATOM 0 HG21 ILE A 11 4.107 1.419 2.923 1.00 0.50 H new ATOM 0 HG22 ILE A 11 5.198 2.794 3.221 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.531 1.215 3.971 1.00 0.50 H new ATOM 0 HD11 ILE A 11 3.610 -0.852 6.312 1.00 1.16 H new ATOM 0 HD12 ILE A 11 4.761 -0.353 5.050 1.00 1.16 H new ATOM 0 HD13 ILE A 11 4.843 0.379 6.670 1.00 1.16 H new ATOM 183 N VAL A 12 5.012 5.220 5.015 1.00 0.33 N ATOM 184 CA VAL A 12 5.696 6.429 4.580 1.00 0.38 C ATOM 185 C VAL A 12 6.852 6.787 5.521 1.00 0.40 C ATOM 186 O VAL A 12 7.950 7.137 5.078 1.00 0.45 O ATOM 187 CB VAL A 12 4.672 7.573 4.520 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.331 8.936 4.617 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.862 7.451 3.243 1.00 0.48 C ATOM 0 H VAL A 12 4.000 5.324 5.084 1.00 0.33 H new ATOM 0 HA VAL A 12 6.128 6.262 3.593 1.00 0.38 H new ATOM 0 HB VAL A 12 4.010 7.487 5.382 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.568 9.713 4.570 1.00 0.57 H new ATOM 0 HG12 VAL A 12 5.870 9.013 5.561 1.00 0.57 H new ATOM 0 HG13 VAL A 12 6.029 9.062 3.789 1.00 0.57 H new ATOM 0 HG21 VAL A 12 3.134 8.261 3.195 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.528 7.511 2.382 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.341 6.493 3.232 1.00 0.48 H new ATOM 199 N ASN A 13 6.595 6.668 6.815 1.00 0.42 N ATOM 200 CA ASN A 13 7.573 6.986 7.847 1.00 0.48 C ATOM 201 C ASN A 13 8.740 5.999 7.823 1.00 0.48 C ATOM 202 O ASN A 13 9.879 6.371 8.094 1.00 0.58 O ATOM 203 CB ASN A 13 6.892 6.968 9.220 1.00 0.61 C ATOM 204 CG ASN A 13 7.824 7.332 10.357 1.00 0.75 C ATOM 205 OD1 ASN A 13 8.766 8.107 10.189 1.00 1.31 O ATOM 206 ND2 ASN A 13 7.570 6.767 11.526 1.00 1.42 N ATOM 0 H ASN A 13 5.699 6.347 7.181 1.00 0.42 H new ATOM 0 HA ASN A 13 7.973 7.981 7.652 1.00 0.48 H new ATOM 0 HB2 ASN A 13 6.053 7.664 9.211 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.481 5.975 9.401 1.00 0.61 H new ATOM 0 HD21 ASN A 13 8.165 6.968 12.330 1.00 1.42 H new ATOM 0 HD22 ASN A 13 6.779 6.130 11.624 1.00 1.42 H new ATOM 213 N ILE A 14 8.451 4.744 7.498 1.00 0.47 N ATOM 214 CA ILE A 14 9.490 3.723 7.398 1.00 0.57 C ATOM 215 C ILE A 14 10.402 4.013 6.207 1.00 0.53 C ATOM 216 O ILE A 14 11.631 3.888 6.303 1.00 0.60 O ATOM 217 CB ILE A 14 8.892 2.302 7.271 1.00 0.68 C ATOM 218 CG1 ILE A 14 7.975 1.994 8.461 1.00 1.33 C ATOM 219 CG2 ILE A 14 9.998 1.260 7.181 1.00 1.14 C ATOM 220 CD1 ILE A 14 8.661 2.094 9.809 1.00 2.06 C ATOM 0 H ILE A 14 7.508 4.409 7.299 1.00 0.47 H new ATOM 0 HA ILE A 14 10.072 3.757 8.319 1.00 0.57 H new ATOM 0 HB ILE A 14 8.302 2.264 6.356 1.00 0.68 H new ATOM 0 HG12 ILE A 14 7.130 2.682 8.443 1.00 1.33 H new ATOM 0 HG13 ILE A 14 7.570 0.989 8.344 1.00 1.33 H new ATOM 0 HG21 ILE A 14 9.556 0.267 7.092 1.00 1.14 H new ATOM 0 HG22 ILE A 14 10.617 1.461 6.307 1.00 1.14 H new ATOM 0 HG23 ILE A 14 10.614 1.304 8.079 1.00 1.14 H new ATOM 0 HD11 ILE A 14 7.947 1.862 10.599 1.00 2.06 H new ATOM 0 HD12 ILE A 14 9.489 1.386 9.849 1.00 2.06 H new ATOM 0 HD13 ILE A 14 9.041 3.106 9.949 1.00 2.06 H new ATOM 232 N PHE A 15 9.801 4.426 5.089 1.00 0.48 N ATOM 233 CA PHE A 15 10.579 4.859 3.934 1.00 0.58 C ATOM 234 C PHE A 15 11.472 6.018 4.344 1.00 0.60 C ATOM 235 O PHE A 15 12.677 6.002 4.118 1.00 0.70 O ATOM 236 CB PHE A 15 9.674 5.304 2.778 1.00 0.68 C ATOM 237 CG PHE A 15 8.765 4.233 2.243 1.00 1.18 C ATOM 238 CD1 PHE A 15 9.170 2.909 2.208 1.00 1.74 C ATOM 239 CD2 PHE A 15 7.506 4.557 1.768 1.00 1.93 C ATOM 240 CE1 PHE A 15 8.334 1.929 1.710 1.00 2.35 C ATOM 241 CE2 PHE A 15 6.667 3.582 1.267 1.00 2.54 C ATOM 242 CZ PHE A 15 7.082 2.265 1.239 1.00 2.57 C ATOM 0 H PHE A 15 8.790 4.469 4.962 1.00 0.48 H new ATOM 0 HA PHE A 15 11.177 4.015 3.590 1.00 0.58 H new ATOM 0 HB2 PHE A 15 9.065 6.144 3.114 1.00 0.68 H new ATOM 0 HB3 PHE A 15 10.300 5.670 1.964 1.00 0.68 H new ATOM 0 HD1 PHE A 15 10.150 2.640 2.574 1.00 1.74 H new ATOM 0 HD2 PHE A 15 7.176 5.585 1.790 1.00 1.93 H new ATOM 0 HE1 PHE A 15 8.661 0.900 1.689 1.00 2.35 H new ATOM 0 HE2 PHE A 15 5.688 3.849 0.898 1.00 2.54 H new ATOM 0 HZ PHE A 15 6.427 1.500 0.849 1.00 2.57 H new ATOM 252 N HIS A 16 10.857 6.998 4.993 1.00 0.59 N ATOM 253 CA HIS A 16 11.553 8.182 5.478 1.00 0.71 C ATOM 254 C HIS A 16 12.625 7.815 6.508 1.00 0.75 C ATOM 255 O HIS A 16 13.558 8.583 6.751 1.00 0.88 O ATOM 256 CB HIS A 16 10.531 9.155 6.083 1.00 0.77 C ATOM 257 CG HIS A 16 11.113 10.443 6.582 1.00 1.15 C ATOM 258 ND1 HIS A 16 10.951 10.888 7.877 1.00 1.82 N ATOM 259 CD2 HIS A 16 11.844 11.393 5.950 1.00 1.84 C ATOM 260 CE1 HIS A 16 11.557 12.050 8.020 1.00 2.22 C ATOM 261 NE2 HIS A 16 12.105 12.378 6.867 1.00 2.23 N ATOM 0 H HIS A 16 9.858 6.994 5.198 1.00 0.59 H new ATOM 0 HA HIS A 16 12.060 8.660 4.640 1.00 0.71 H new ATOM 0 HB2 HIS A 16 9.775 9.381 5.331 1.00 0.77 H new ATOM 0 HB3 HIS A 16 10.021 8.658 6.908 1.00 0.77 H new ATOM 0 HD2 HIS A 16 12.161 11.377 4.918 1.00 1.84 H new ATOM 0 HE1 HIS A 16 11.598 12.634 8.928 1.00 2.22 H new ATOM 0 HE2 HIS A 16 12.638 13.229 6.686 1.00 2.23 H new ATOM 270 N GLN A 17 12.482 6.644 7.116 1.00 0.69 N ATOM 271 CA GLN A 17 13.414 6.193 8.134 1.00 0.81 C ATOM 272 C GLN A 17 14.766 5.819 7.532 1.00 0.93 C ATOM 273 O GLN A 17 15.790 6.356 7.950 1.00 1.18 O ATOM 274 CB GLN A 17 12.836 5.017 8.924 1.00 0.85 C ATOM 275 CG GLN A 17 13.800 4.439 9.952 1.00 1.27 C ATOM 276 CD GLN A 17 14.305 5.468 10.951 1.00 1.99 C ATOM 277 OE1 GLN A 17 15.433 5.375 11.431 1.00 2.60 O ATOM 278 NE2 GLN A 17 13.468 6.432 11.302 1.00 2.77 N ATOM 0 H GLN A 17 11.725 5.989 6.919 1.00 0.69 H new ATOM 0 HA GLN A 17 13.573 7.025 8.820 1.00 0.81 H new ATOM 0 HB2 GLN A 17 11.929 5.343 9.432 1.00 0.85 H new ATOM 0 HB3 GLN A 17 12.546 4.230 8.228 1.00 0.85 H new ATOM 0 HG2 GLN A 17 13.303 3.633 10.492 1.00 1.27 H new ATOM 0 HG3 GLN A 17 14.652 3.998 9.433 1.00 1.27 H new ATOM 0 HE21 GLN A 17 12.539 6.479 10.883 1.00 2.77 H new ATOM 0 HE22 GLN A 17 13.752 7.128 11.991 1.00 2.77 H new ATOM 287 N TYR A 18 14.794 4.904 6.565 1.00 0.85 N ATOM 288 CA TYR A 18 16.075 4.515 5.989 1.00 1.07 C ATOM 289 C TYR A 18 16.476 5.476 4.877 1.00 1.34 C ATOM 290 O TYR A 18 17.579 6.028 4.891 1.00 1.76 O ATOM 291 CB TYR A 18 16.060 3.077 5.471 1.00 1.22 C ATOM 292 CG TYR A 18 17.456 2.547 5.211 1.00 2.34 C ATOM 293 CD1 TYR A 18 18.229 2.043 6.249 1.00 3.14 C ATOM 294 CD2 TYR A 18 18.007 2.571 3.937 1.00 3.25 C ATOM 295 CE1 TYR A 18 19.509 1.574 6.025 1.00 4.38 C ATOM 296 CE2 TYR A 18 19.288 2.105 3.706 1.00 4.48 C ATOM 297 CZ TYR A 18 20.033 1.609 4.751 1.00 4.92 C ATOM 298 OH TYR A 18 21.307 1.139 4.520 1.00 6.25 O ATOM 0 H TYR A 18 13.976 4.434 6.177 1.00 0.85 H new ATOM 0 HA TYR A 18 16.816 4.566 6.787 1.00 1.07 H new ATOM 0 HB2 TYR A 18 15.559 2.436 6.197 1.00 1.22 H new ATOM 0 HB3 TYR A 18 15.478 3.030 4.550 1.00 1.22 H new ATOM 0 HD1 TYR A 18 17.822 2.017 7.249 1.00 3.14 H new ATOM 0 HD2 TYR A 18 17.426 2.960 3.114 1.00 3.25 H new ATOM 0 HE1 TYR A 18 20.095 1.182 6.843 1.00 4.38 H new ATOM 0 HE2 TYR A 18 19.702 2.130 2.709 1.00 4.48 H new ATOM 0 HH TYR A 18 21.694 0.817 5.361 1.00 6.25 H new ATOM 308 N SER A 19 15.587 5.681 3.920 1.00 1.32 N ATOM 309 CA SER A 19 15.840 6.625 2.848 1.00 1.77 C ATOM 310 C SER A 19 15.353 8.015 3.249 1.00 1.85 C ATOM 311 O SER A 19 14.150 8.252 3.385 1.00 2.32 O ATOM 312 CB SER A 19 15.169 6.151 1.555 1.00 2.37 C ATOM 313 OG SER A 19 13.856 5.680 1.800 1.00 3.01 O ATOM 0 H SER A 19 14.686 5.207 3.864 1.00 1.32 H new ATOM 0 HA SER A 19 16.913 6.682 2.666 1.00 1.77 H new ATOM 0 HB2 SER A 19 15.136 6.971 0.838 1.00 2.37 H new ATOM 0 HB3 SER A 19 15.764 5.357 1.104 1.00 2.37 H new ATOM 0 HG SER A 19 13.472 6.164 2.561 1.00 3.01 H new ATOM 319 N VAL A 20 16.295 8.924 3.457 1.00 2.11 N ATOM 320 CA VAL A 20 15.971 10.272 3.904 1.00 2.50 C ATOM 321 C VAL A 20 15.381 11.095 2.766 1.00 2.64 C ATOM 322 O VAL A 20 15.222 10.596 1.649 1.00 3.25 O ATOM 323 CB VAL A 20 17.207 10.997 4.480 1.00 3.30 C ATOM 324 CG1 VAL A 20 17.745 10.249 5.689 1.00 3.90 C ATOM 325 CG2 VAL A 20 18.291 11.150 3.423 1.00 4.13 C ATOM 0 H VAL A 20 17.292 8.752 3.323 1.00 2.11 H new ATOM 0 HA VAL A 20 15.230 10.174 4.698 1.00 2.50 H new ATOM 0 HB VAL A 20 16.899 11.994 4.795 1.00 3.30 H new ATOM 0 HG11 VAL A 20 18.616 10.773 6.083 1.00 3.90 H new ATOM 0 HG12 VAL A 20 16.974 10.198 6.458 1.00 3.90 H new ATOM 0 HG13 VAL A 20 18.032 9.239 5.394 1.00 3.90 H new ATOM 0 HG21 VAL A 20 19.150 11.664 3.855 1.00 4.13 H new ATOM 0 HG22 VAL A 20 18.597 10.165 3.070 1.00 4.13 H new ATOM 0 HG23 VAL A 20 17.904 11.731 2.586 1.00 4.13 H new ATOM 335 N ARG A 21 15.051 12.348 3.046 1.00 2.80 N ATOM 336 CA ARG A 21 14.492 13.220 2.025 1.00 3.55 C ATOM 337 C ARG A 21 15.509 13.466 0.915 1.00 3.96 C ATOM 338 O ARG A 21 16.716 13.341 1.132 1.00 4.55 O ATOM 339 CB ARG A 21 14.019 14.543 2.632 1.00 4.19 C ATOM 340 CG ARG A 21 15.123 15.358 3.287 1.00 4.83 C ATOM 341 CD ARG A 21 14.559 16.604 3.945 1.00 5.36 C ATOM 342 NE ARG A 21 15.596 17.422 4.567 1.00 5.87 N ATOM 343 CZ ARG A 21 15.346 18.499 5.308 1.00 6.57 C ATOM 344 NH1 ARG A 21 14.090 18.862 5.553 1.00 6.84 N ATOM 345 NH2 ARG A 21 16.349 19.202 5.818 1.00 7.28 N ATOM 0 H ARG A 21 15.160 12.780 3.964 1.00 2.80 H new ATOM 0 HA ARG A 21 13.625 12.722 1.591 1.00 3.55 H new ATOM 0 HB2 ARG A 21 13.555 15.143 1.850 1.00 4.19 H new ATOM 0 HB3 ARG A 21 13.248 14.335 3.374 1.00 4.19 H new ATOM 0 HG2 ARG A 21 15.637 14.750 4.031 1.00 4.83 H new ATOM 0 HG3 ARG A 21 15.864 15.640 2.539 1.00 4.83 H new ATOM 0 HD2 ARG A 21 14.030 17.198 3.199 1.00 5.36 H new ATOM 0 HD3 ARG A 21 13.827 16.314 4.699 1.00 5.36 H new ATOM 0 HE ARG A 21 16.569 17.152 4.425 1.00 5.87 H new ATOM 0 HH11 ARG A 21 13.318 18.315 5.173 1.00 6.84 H new ATOM 0 HH12 ARG A 21 13.899 19.687 6.121 1.00 6.84 H new ATOM 0 HH21 ARG A 21 17.313 18.917 5.642 1.00 7.28 H new ATOM 0 HH22 ARG A 21 16.157 20.027 6.386 1.00 7.28 H new ATOM 359 N LYS A 22 15.018 13.797 -0.266 1.00 4.13 N ATOM 360 CA LYS A 22 15.862 13.913 -1.447 1.00 4.90 C ATOM 361 C LYS A 22 16.835 15.086 -1.329 1.00 5.04 C ATOM 362 O LYS A 22 17.957 14.920 -0.840 1.00 5.58 O ATOM 363 CB LYS A 22 14.982 14.061 -2.690 1.00 5.68 C ATOM 364 CG LYS A 22 13.983 12.925 -2.849 1.00 6.44 C ATOM 365 CD LYS A 22 12.984 13.201 -3.962 1.00 7.32 C ATOM 366 CE LYS A 22 13.657 13.252 -5.322 1.00 8.19 C ATOM 367 NZ LYS A 22 12.676 13.473 -6.416 1.00 8.70 N ATOM 0 H LYS A 22 14.031 13.992 -0.435 1.00 4.13 H new ATOM 0 HA LYS A 22 16.461 13.006 -1.535 1.00 4.90 H new ATOM 0 HB2 LYS A 22 14.443 15.007 -2.636 1.00 5.68 H new ATOM 0 HB3 LYS A 22 15.617 14.106 -3.575 1.00 5.68 H new ATOM 0 HG2 LYS A 22 14.517 11.999 -3.062 1.00 6.44 H new ATOM 0 HG3 LYS A 22 13.449 12.777 -1.910 1.00 6.44 H new ATOM 0 HD2 LYS A 22 12.218 12.425 -3.964 1.00 7.32 H new ATOM 0 HD3 LYS A 22 12.478 14.148 -3.771 1.00 7.32 H new ATOM 0 HE2 LYS A 22 14.398 14.052 -5.331 1.00 8.19 H new ATOM 0 HE3 LYS A 22 14.193 12.319 -5.497 1.00 8.19 H new ATOM 0 HZ1 LYS A 22 13.174 13.502 -7.328 1.00 8.70 H new ATOM 0 HZ2 LYS A 22 11.984 12.697 -6.424 1.00 8.70 H new ATOM 0 HZ3 LYS A 22 12.182 14.375 -6.263 1.00 8.70 H new ATOM 381 N GLY A 23 16.405 16.264 -1.767 1.00 4.88 N ATOM 382 CA GLY A 23 17.264 17.434 -1.738 1.00 5.26 C ATOM 383 C GLY A 23 18.387 17.353 -2.757 1.00 5.25 C ATOM 384 O GLY A 23 18.362 18.031 -3.784 1.00 5.67 O ATOM 0 H GLY A 23 15.472 16.430 -2.144 1.00 4.88 H new ATOM 0 HA2 GLY A 23 16.666 18.325 -1.930 1.00 5.26 H new ATOM 0 HA3 GLY A 23 17.689 17.544 -0.741 1.00 5.26 H new ATOM 388 N HIS A 24 19.367 16.513 -2.475 1.00 5.15 N ATOM 389 CA HIS A 24 20.499 16.317 -3.364 1.00 5.44 C ATOM 390 C HIS A 24 20.695 14.826 -3.599 1.00 4.99 C ATOM 391 O HIS A 24 20.320 14.019 -2.746 1.00 5.43 O ATOM 392 CB HIS A 24 21.772 16.940 -2.767 1.00 6.29 C ATOM 393 CG HIS A 24 22.338 16.198 -1.591 1.00 6.92 C ATOM 394 ND1 HIS A 24 21.895 16.378 -0.298 1.00 7.55 N ATOM 395 CD2 HIS A 24 23.321 15.268 -1.523 1.00 7.35 C ATOM 396 CE1 HIS A 24 22.580 15.592 0.512 1.00 8.27 C ATOM 397 NE2 HIS A 24 23.448 14.909 -0.207 1.00 8.17 N ATOM 0 H HIS A 24 19.401 15.949 -1.626 1.00 5.15 H new ATOM 0 HA HIS A 24 20.300 16.811 -4.315 1.00 5.44 H new ATOM 0 HB2 HIS A 24 22.533 16.996 -3.545 1.00 6.29 H new ATOM 0 HB3 HIS A 24 21.552 17.963 -2.463 1.00 6.29 H new ATOM 0 HD2 HIS A 24 23.897 14.882 -2.351 1.00 7.35 H new ATOM 0 HE1 HIS A 24 22.451 15.521 1.582 1.00 8.27 H new ATOM 0 HE2 HIS A 24 24.109 14.223 0.158 1.00 8.17 H new ATOM 406 N PHE A 25 21.281 14.470 -4.738 1.00 4.48 N ATOM 407 CA PHE A 25 21.498 13.069 -5.091 1.00 4.32 C ATOM 408 C PHE A 25 20.160 12.329 -5.089 1.00 3.71 C ATOM 409 O PHE A 25 19.926 11.418 -4.288 1.00 3.95 O ATOM 410 CB PHE A 25 22.496 12.422 -4.118 1.00 4.90 C ATOM 411 CG PHE A 25 23.031 11.091 -4.571 1.00 5.62 C ATOM 412 CD1 PHE A 25 23.697 10.975 -5.780 1.00 6.16 C ATOM 413 CD2 PHE A 25 22.884 9.960 -3.781 1.00 6.16 C ATOM 414 CE1 PHE A 25 24.203 9.759 -6.195 1.00 7.08 C ATOM 415 CE2 PHE A 25 23.387 8.741 -4.192 1.00 7.09 C ATOM 416 CZ PHE A 25 24.047 8.640 -5.401 1.00 7.50 C ATOM 0 H PHE A 25 21.616 15.135 -5.436 1.00 4.48 H new ATOM 0 HA PHE A 25 21.925 13.007 -6.092 1.00 4.32 H new ATOM 0 HB2 PHE A 25 23.333 13.104 -3.968 1.00 4.90 H new ATOM 0 HB3 PHE A 25 22.011 12.295 -3.150 1.00 4.90 H new ATOM 0 HD1 PHE A 25 23.822 11.846 -6.406 1.00 6.16 H new ATOM 0 HD2 PHE A 25 22.370 10.034 -2.834 1.00 6.16 H new ATOM 0 HE1 PHE A 25 24.720 9.683 -7.140 1.00 7.08 H new ATOM 0 HE2 PHE A 25 23.264 7.868 -3.569 1.00 7.09 H new ATOM 0 HZ PHE A 25 24.440 7.688 -5.725 1.00 7.50 H new ATOM 426 N ASP A 26 19.281 12.752 -5.991 1.00 3.49 N ATOM 427 CA ASP A 26 17.913 12.248 -6.047 1.00 3.48 C ATOM 428 C ASP A 26 17.875 10.845 -6.634 1.00 3.05 C ATOM 429 O ASP A 26 17.660 10.672 -7.834 1.00 3.62 O ATOM 430 CB ASP A 26 17.029 13.170 -6.897 1.00 4.39 C ATOM 431 CG ASP A 26 17.061 14.615 -6.444 1.00 5.09 C ATOM 432 OD1 ASP A 26 17.966 15.356 -6.883 1.00 5.48 O ATOM 433 OD2 ASP A 26 16.169 15.026 -5.675 1.00 5.62 O ATOM 0 H ASP A 26 19.495 13.451 -6.702 1.00 3.49 H new ATOM 0 HA ASP A 26 17.532 12.221 -5.026 1.00 3.48 H new ATOM 0 HB2 ASP A 26 17.353 13.115 -7.936 1.00 4.39 H new ATOM 0 HB3 ASP A 26 16.001 12.809 -6.864 1.00 4.39 H new ATOM 438 N THR A 27 18.094 9.847 -5.793 1.00 2.55 N ATOM 439 CA THR A 27 18.037 8.463 -6.227 1.00 2.52 C ATOM 440 C THR A 27 17.973 7.510 -5.034 1.00 1.71 C ATOM 441 O THR A 27 18.890 7.449 -4.212 1.00 2.29 O ATOM 442 CB THR A 27 19.238 8.103 -7.141 1.00 3.34 C ATOM 443 OG1 THR A 27 19.213 6.711 -7.478 1.00 3.84 O ATOM 444 CG2 THR A 27 20.568 8.446 -6.485 1.00 3.94 C ATOM 0 H THR A 27 18.313 9.971 -4.805 1.00 2.55 H new ATOM 0 HA THR A 27 17.122 8.347 -6.809 1.00 2.52 H new ATOM 0 HB THR A 27 19.143 8.698 -8.049 1.00 3.34 H new ATOM 0 HG1 THR A 27 19.976 6.501 -8.056 1.00 3.84 H new ATOM 0 HG21 THR A 27 21.384 8.179 -7.156 1.00 3.94 H new ATOM 0 HG22 THR A 27 20.605 9.515 -6.275 1.00 3.94 H new ATOM 0 HG23 THR A 27 20.668 7.890 -5.553 1.00 3.94 H new ATOM 452 N LEU A 28 16.859 6.801 -4.923 1.00 1.14 N ATOM 453 CA LEU A 28 16.716 5.747 -3.930 1.00 0.90 C ATOM 454 C LEU A 28 16.916 4.414 -4.629 1.00 0.71 C ATOM 455 O LEU A 28 16.215 4.104 -5.587 1.00 0.76 O ATOM 456 CB LEU A 28 15.336 5.788 -3.250 1.00 1.66 C ATOM 457 CG LEU A 28 14.972 7.085 -2.507 1.00 2.02 C ATOM 458 CD1 LEU A 28 16.133 7.571 -1.653 1.00 2.91 C ATOM 459 CD2 LEU A 28 14.523 8.170 -3.477 1.00 2.37 C ATOM 0 H LEU A 28 16.037 6.938 -5.512 1.00 1.14 H new ATOM 0 HA LEU A 28 17.461 5.889 -3.147 1.00 0.90 H new ATOM 0 HB2 LEU A 28 14.576 5.606 -4.010 1.00 1.66 H new ATOM 0 HB3 LEU A 28 15.281 4.962 -2.541 1.00 1.66 H new ATOM 0 HG LEU A 28 14.136 6.861 -1.845 1.00 2.02 H new ATOM 0 HD11 LEU A 28 15.848 8.489 -1.139 1.00 2.91 H new ATOM 0 HD12 LEU A 28 16.388 6.808 -0.918 1.00 2.91 H new ATOM 0 HD13 LEU A 28 16.997 7.765 -2.289 1.00 2.91 H new ATOM 0 HD21 LEU A 28 14.273 9.074 -2.921 1.00 2.37 H new ATOM 0 HD22 LEU A 28 15.328 8.387 -4.179 1.00 2.37 H new ATOM 0 HD23 LEU A 28 13.646 7.827 -4.026 1.00 2.37 H new ATOM 471 N SER A 29 17.888 3.640 -4.189 1.00 0.61 N ATOM 472 CA SER A 29 18.270 2.445 -4.924 1.00 0.49 C ATOM 473 C SER A 29 17.773 1.157 -4.263 1.00 0.44 C ATOM 474 O SER A 29 17.025 1.197 -3.284 1.00 0.53 O ATOM 475 CB SER A 29 19.779 2.405 -5.097 1.00 0.55 C ATOM 476 OG SER A 29 20.295 3.692 -5.407 1.00 1.35 O ATOM 0 H SER A 29 18.423 3.811 -3.338 1.00 0.61 H new ATOM 0 HA SER A 29 17.789 2.499 -5.901 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.243 2.035 -4.183 1.00 0.55 H new ATOM 0 HB3 SER A 29 20.038 1.705 -5.892 1.00 0.55 H new ATOM 0 HG SER A 29 21.268 3.638 -5.511 1.00 1.35 H new ATOM 482 N LYS A 30 18.206 0.014 -4.796 1.00 0.38 N ATOM 483 CA LYS A 30 17.762 -1.288 -4.303 1.00 0.36 C ATOM 484 C LYS A 30 18.271 -1.540 -2.889 1.00 0.36 C ATOM 485 O LYS A 30 17.576 -2.140 -2.078 1.00 0.37 O ATOM 486 CB LYS A 30 18.247 -2.410 -5.227 1.00 0.39 C ATOM 487 CG LYS A 30 17.633 -3.768 -4.908 1.00 0.41 C ATOM 488 CD LYS A 30 18.293 -4.911 -5.676 1.00 0.50 C ATOM 489 CE LYS A 30 18.278 -4.701 -7.187 1.00 0.52 C ATOM 490 NZ LYS A 30 19.524 -4.047 -7.688 1.00 1.32 N ATOM 0 H LYS A 30 18.866 -0.035 -5.572 1.00 0.38 H new ATOM 0 HA LYS A 30 16.672 -1.280 -4.289 1.00 0.36 H new ATOM 0 HB2 LYS A 30 18.012 -2.147 -6.259 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.332 -2.485 -5.156 1.00 0.39 H new ATOM 0 HG2 LYS A 30 17.719 -3.958 -3.838 1.00 0.41 H new ATOM 0 HG3 LYS A 30 16.569 -3.745 -5.143 1.00 0.41 H new ATOM 0 HD2 LYS A 30 19.324 -5.019 -5.340 1.00 0.50 H new ATOM 0 HD3 LYS A 30 17.781 -5.844 -5.439 1.00 0.50 H new ATOM 0 HE2 LYS A 30 18.153 -5.664 -7.683 1.00 0.52 H new ATOM 0 HE3 LYS A 30 17.417 -4.089 -7.457 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 19.679 -4.310 -8.682 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 19.428 -3.014 -7.614 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 20.334 -4.361 -7.117 1.00 1.32 H new ATOM 504 N GLY A 31 19.482 -1.074 -2.604 1.00 0.39 N ATOM 505 CA GLY A 31 20.094 -1.304 -1.303 1.00 0.40 C ATOM 506 C GLY A 31 19.242 -0.814 -0.147 1.00 0.38 C ATOM 507 O GLY A 31 19.079 -1.513 0.854 1.00 0.39 O ATOM 0 H GLY A 31 20.056 -0.537 -3.254 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.282 -2.371 -1.181 1.00 0.40 H new ATOM 0 HA3 GLY A 31 21.062 -0.804 -1.270 1.00 0.40 H new ATOM 511 N GLU A 32 18.683 0.379 -0.293 1.00 0.44 N ATOM 512 CA GLU A 32 17.861 0.978 0.753 1.00 0.50 C ATOM 513 C GLU A 32 16.581 0.178 0.954 1.00 0.42 C ATOM 514 O GLU A 32 16.133 -0.033 2.083 1.00 0.44 O ATOM 515 CB GLU A 32 17.547 2.426 0.387 1.00 0.67 C ATOM 516 CG GLU A 32 18.808 3.268 0.230 1.00 0.96 C ATOM 517 CD GLU A 32 18.569 4.605 -0.436 1.00 1.58 C ATOM 518 OE1 GLU A 32 18.580 4.655 -1.684 1.00 2.44 O ATOM 519 OE2 GLU A 32 18.419 5.618 0.280 1.00 2.10 O ATOM 0 H GLU A 32 18.784 0.955 -1.129 1.00 0.44 H new ATOM 0 HA GLU A 32 18.412 0.963 1.694 1.00 0.50 H new ATOM 0 HB2 GLU A 32 16.979 2.449 -0.543 1.00 0.67 H new ATOM 0 HB3 GLU A 32 16.913 2.864 1.158 1.00 0.67 H new ATOM 0 HG2 GLU A 32 19.247 3.436 1.214 1.00 0.96 H new ATOM 0 HG3 GLU A 32 19.538 2.707 -0.353 1.00 0.96 H new ATOM 526 N LEU A 33 16.014 -0.276 -0.153 1.00 0.38 N ATOM 527 CA LEU A 33 14.853 -1.143 -0.132 1.00 0.34 C ATOM 528 C LEU A 33 15.203 -2.449 0.564 1.00 0.29 C ATOM 529 O LEU A 33 14.476 -2.916 1.428 1.00 0.32 O ATOM 530 CB LEU A 33 14.402 -1.418 -1.563 1.00 0.34 C ATOM 531 CG LEU A 33 13.110 -2.219 -1.702 1.00 0.39 C ATOM 532 CD1 LEU A 33 11.933 -1.447 -1.136 1.00 0.52 C ATOM 533 CD2 LEU A 33 12.856 -2.572 -3.155 1.00 0.46 C ATOM 0 H LEU A 33 16.348 -0.052 -1.090 1.00 0.38 H new ATOM 0 HA LEU A 33 14.043 -0.658 0.413 1.00 0.34 H new ATOM 0 HB2 LEU A 33 14.275 -0.464 -2.075 1.00 0.34 H new ATOM 0 HB3 LEU A 33 15.198 -1.953 -2.080 1.00 0.34 H new ATOM 0 HG LEU A 33 13.222 -3.142 -1.133 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.024 -2.038 -1.246 1.00 0.52 H new ATOM 0 HD12 LEU A 33 12.107 -1.242 -0.080 1.00 0.52 H new ATOM 0 HD13 LEU A 33 11.822 -0.506 -1.675 1.00 0.52 H new ATOM 0 HD21 LEU A 33 11.931 -3.143 -3.234 1.00 0.46 H new ATOM 0 HD22 LEU A 33 12.770 -1.658 -3.742 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.685 -3.170 -3.534 1.00 0.46 H new ATOM 545 N LYS A 34 16.347 -3.001 0.191 1.00 0.29 N ATOM 546 CA LYS A 34 16.828 -4.269 0.719 1.00 0.31 C ATOM 547 C LYS A 34 16.923 -4.240 2.244 1.00 0.35 C ATOM 548 O LYS A 34 16.491 -5.180 2.911 1.00 0.41 O ATOM 549 CB LYS A 34 18.183 -4.592 0.088 1.00 0.34 C ATOM 550 CG LYS A 34 18.882 -5.815 0.666 1.00 0.53 C ATOM 551 CD LYS A 34 20.219 -6.058 -0.018 1.00 0.85 C ATOM 552 CE LYS A 34 20.877 -7.342 0.465 1.00 1.30 C ATOM 553 NZ LYS A 34 21.164 -7.312 1.923 1.00 1.87 N ATOM 0 H LYS A 34 16.974 -2.578 -0.493 1.00 0.29 H new ATOM 0 HA LYS A 34 16.115 -5.053 0.462 1.00 0.31 H new ATOM 0 HB2 LYS A 34 18.043 -4.743 -0.982 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.837 -3.728 0.205 1.00 0.34 H new ATOM 0 HG2 LYS A 34 19.038 -5.677 1.736 1.00 0.53 H new ATOM 0 HG3 LYS A 34 18.245 -6.691 0.547 1.00 0.53 H new ATOM 0 HD2 LYS A 34 20.071 -6.109 -1.097 1.00 0.85 H new ATOM 0 HD3 LYS A 34 20.883 -5.215 0.173 1.00 0.85 H new ATOM 0 HE2 LYS A 34 20.227 -8.188 0.242 1.00 1.30 H new ATOM 0 HE3 LYS A 34 21.806 -7.501 -0.083 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 21.702 -8.161 2.188 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 21.722 -6.464 2.150 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 20.269 -7.289 2.453 1.00 1.87 H new ATOM 567 N GLN A 35 17.481 -3.164 2.792 1.00 0.35 N ATOM 568 CA GLN A 35 17.503 -2.983 4.242 1.00 0.43 C ATOM 569 C GLN A 35 16.095 -3.004 4.796 1.00 0.43 C ATOM 570 O GLN A 35 15.754 -3.891 5.572 1.00 0.50 O ATOM 571 CB GLN A 35 18.200 -1.678 4.630 1.00 0.50 C ATOM 572 CG GLN A 35 19.672 -1.861 4.964 1.00 1.07 C ATOM 573 CD GLN A 35 20.486 -2.360 3.789 1.00 1.68 C ATOM 574 OE1 GLN A 35 20.607 -3.565 3.572 1.00 2.46 O ATOM 575 NE2 GLN A 35 21.065 -1.438 3.037 1.00 2.07 N ATOM 0 H GLN A 35 17.920 -2.411 2.262 1.00 0.35 H new ATOM 0 HA GLN A 35 18.069 -3.809 4.672 1.00 0.43 H new ATOM 0 HB2 GLN A 35 18.106 -0.966 3.810 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.690 -1.243 5.490 1.00 0.50 H new ATOM 0 HG2 GLN A 35 20.082 -0.911 5.306 1.00 1.07 H new ATOM 0 HG3 GLN A 35 19.767 -2.565 5.790 1.00 1.07 H new ATOM 0 HE21 GLN A 35 20.938 -0.449 3.254 1.00 2.07 H new ATOM 0 HE22 GLN A 35 21.639 -1.716 2.241 1.00 2.07 H new ATOM 584 N LEU A 36 15.278 -2.054 4.352 1.00 0.38 N ATOM 585 CA LEU A 36 13.905 -1.916 4.818 1.00 0.39 C ATOM 586 C LEU A 36 13.173 -3.255 4.766 1.00 0.38 C ATOM 587 O LEU A 36 12.483 -3.632 5.694 1.00 0.45 O ATOM 588 CB LEU A 36 13.190 -0.877 3.952 1.00 0.36 C ATOM 589 CG LEU A 36 11.775 -0.495 4.381 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.481 0.931 3.957 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.745 -1.437 3.773 1.00 0.40 C ATOM 0 H LEU A 36 15.551 -1.358 3.658 1.00 0.38 H new ATOM 0 HA LEU A 36 13.910 -1.586 5.857 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.797 0.028 3.932 1.00 0.36 H new ATOM 0 HB3 LEU A 36 13.147 -1.254 2.930 1.00 0.36 H new ATOM 0 HG LEU A 36 11.712 -0.576 5.466 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.471 1.201 4.264 1.00 0.45 H new ATOM 0 HD12 LEU A 36 12.196 1.605 4.428 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.565 1.013 2.873 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.747 -1.141 4.095 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.805 -1.388 2.686 1.00 0.40 H new ATOM 0 HD23 LEU A 36 10.945 -2.457 4.102 1.00 0.40 H new ATOM 603 N LEU A 37 13.352 -3.973 3.684 1.00 0.34 N ATOM 604 CA LEU A 37 12.667 -5.234 3.480 1.00 0.35 C ATOM 605 C LEU A 37 13.145 -6.312 4.442 1.00 0.41 C ATOM 606 O LEU A 37 12.339 -6.957 5.112 1.00 0.45 O ATOM 607 CB LEU A 37 12.876 -5.688 2.048 1.00 0.34 C ATOM 608 CG LEU A 37 12.263 -4.766 1.001 1.00 0.30 C ATOM 609 CD1 LEU A 37 12.541 -5.276 -0.401 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.775 -4.617 1.238 1.00 0.32 C ATOM 0 H LEU A 37 13.973 -3.705 2.921 1.00 0.34 H new ATOM 0 HA LEU A 37 11.607 -5.076 3.676 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.946 -5.772 1.859 1.00 0.34 H new ATOM 0 HB3 LEU A 37 12.452 -6.685 1.930 1.00 0.34 H new ATOM 0 HG LEU A 37 12.726 -3.784 1.095 1.00 0.30 H new ATOM 0 HD11 LEU A 37 12.093 -4.600 -1.129 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.618 -5.323 -0.564 1.00 0.38 H new ATOM 0 HD13 LEU A 37 12.112 -6.271 -0.518 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.351 -3.956 0.483 1.00 0.32 H new ATOM 0 HD22 LEU A 37 10.297 -5.594 1.175 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.605 -4.193 2.228 1.00 0.32 H new ATOM 622 N THR A 38 14.453 -6.495 4.517 1.00 0.45 N ATOM 623 CA THR A 38 15.028 -7.557 5.323 1.00 0.53 C ATOM 624 C THR A 38 14.773 -7.340 6.812 1.00 0.59 C ATOM 625 O THR A 38 14.694 -8.298 7.582 1.00 0.66 O ATOM 626 CB THR A 38 16.545 -7.687 5.079 1.00 0.55 C ATOM 627 OG1 THR A 38 17.180 -6.409 5.226 1.00 1.23 O ATOM 628 CG2 THR A 38 16.830 -8.236 3.691 1.00 1.03 C ATOM 0 H THR A 38 15.138 -5.919 4.027 1.00 0.45 H new ATOM 0 HA THR A 38 14.536 -8.480 5.016 1.00 0.53 H new ATOM 0 HB THR A 38 16.945 -8.382 5.818 1.00 0.55 H new ATOM 0 HG1 THR A 38 17.055 -5.885 4.407 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.907 -8.317 3.546 1.00 1.03 H new ATOM 0 HG22 THR A 38 16.375 -9.221 3.589 1.00 1.03 H new ATOM 0 HG23 THR A 38 16.413 -7.564 2.941 1.00 1.03 H new ATOM 636 N LYS A 39 14.659 -6.085 7.217 1.00 0.58 N ATOM 637 CA LYS A 39 14.460 -5.768 8.622 1.00 0.66 C ATOM 638 C LYS A 39 12.988 -5.542 8.973 1.00 0.64 C ATOM 639 O LYS A 39 12.526 -5.986 10.024 1.00 0.72 O ATOM 640 CB LYS A 39 15.302 -4.555 9.027 1.00 0.72 C ATOM 641 CG LYS A 39 14.971 -3.293 8.254 1.00 0.68 C ATOM 642 CD LYS A 39 16.092 -2.267 8.331 1.00 0.73 C ATOM 643 CE LYS A 39 16.281 -1.760 9.751 1.00 0.87 C ATOM 644 NZ LYS A 39 17.420 -0.813 9.864 1.00 1.61 N ATOM 0 H LYS A 39 14.700 -5.275 6.598 1.00 0.58 H new ATOM 0 HA LYS A 39 14.791 -6.637 9.191 1.00 0.66 H new ATOM 0 HB2 LYS A 39 15.161 -4.365 10.091 1.00 0.72 H new ATOM 0 HB3 LYS A 39 16.356 -4.792 8.883 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.782 -3.546 7.211 1.00 0.68 H new ATOM 0 HG3 LYS A 39 14.053 -2.857 8.648 1.00 0.68 H new ATOM 0 HD2 LYS A 39 17.021 -2.713 7.975 1.00 0.73 H new ATOM 0 HD3 LYS A 39 15.867 -1.429 7.671 1.00 0.73 H new ATOM 0 HE2 LYS A 39 15.367 -1.267 10.083 1.00 0.87 H new ATOM 0 HE3 LYS A 39 16.447 -2.606 10.418 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 17.510 -0.494 10.850 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 18.298 -1.289 9.573 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 17.251 0.008 9.249 1.00 1.61 H new ATOM 658 N GLU A 40 12.249 -4.874 8.096 1.00 0.57 N ATOM 659 CA GLU A 40 10.898 -4.427 8.432 1.00 0.58 C ATOM 660 C GLU A 40 9.850 -5.448 8.009 1.00 0.56 C ATOM 661 O GLU A 40 8.961 -5.800 8.786 1.00 0.64 O ATOM 662 CB GLU A 40 10.596 -3.068 7.783 1.00 0.58 C ATOM 663 CG GLU A 40 11.545 -1.953 8.202 1.00 0.87 C ATOM 664 CD GLU A 40 11.617 -1.753 9.706 1.00 1.14 C ATOM 665 OE1 GLU A 40 12.460 -2.405 10.361 1.00 1.67 O ATOM 666 OE2 GLU A 40 10.843 -0.931 10.238 1.00 1.63 O ATOM 0 H GLU A 40 12.556 -4.630 7.154 1.00 0.57 H new ATOM 0 HA GLU A 40 10.852 -4.321 9.516 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.638 -3.178 6.699 1.00 0.58 H new ATOM 0 HB3 GLU A 40 9.576 -2.776 8.035 1.00 0.58 H new ATOM 0 HG2 GLU A 40 12.543 -2.175 7.825 1.00 0.87 H new ATOM 0 HG3 GLU A 40 11.227 -1.021 7.734 1.00 0.87 H new ATOM 673 N LEU A 41 9.965 -5.947 6.789 1.00 0.50 N ATOM 674 CA LEU A 41 8.955 -6.845 6.248 1.00 0.49 C ATOM 675 C LEU A 41 9.460 -8.278 6.298 1.00 0.52 C ATOM 676 O LEU A 41 8.993 -9.147 5.557 1.00 0.53 O ATOM 677 CB LEU A 41 8.590 -6.450 4.811 1.00 0.43 C ATOM 678 CG LEU A 41 8.307 -4.958 4.594 1.00 0.51 C ATOM 679 CD1 LEU A 41 7.781 -4.711 3.190 1.00 1.22 C ATOM 680 CD2 LEU A 41 7.326 -4.431 5.633 1.00 1.42 C ATOM 0 H LEU A 41 10.741 -5.748 6.158 1.00 0.50 H new ATOM 0 HA LEU A 41 8.054 -6.767 6.856 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.405 -6.748 4.151 1.00 0.43 H new ATOM 0 HB3 LEU A 41 7.710 -7.018 4.508 1.00 0.43 H new ATOM 0 HG LEU A 41 9.246 -4.417 4.711 1.00 0.51 H new ATOM 0 HD11 LEU A 41 7.587 -3.647 3.056 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.522 -5.039 2.461 1.00 1.22 H new ATOM 0 HD13 LEU A 41 6.857 -5.270 3.044 1.00 1.22 H new ATOM 0 HD21 LEU A 41 7.143 -3.371 5.456 1.00 1.42 H new ATOM 0 HD22 LEU A 41 6.387 -4.979 5.557 1.00 1.42 H new ATOM 0 HD23 LEU A 41 7.745 -4.565 6.630 1.00 1.42 H new ATOM 692 N ALA A 42 10.408 -8.506 7.204 1.00 0.58 N ATOM 693 CA ALA A 42 11.047 -9.806 7.377 1.00 0.64 C ATOM 694 C ALA A 42 10.032 -10.908 7.649 1.00 0.71 C ATOM 695 O ALA A 42 10.231 -12.061 7.268 1.00 0.78 O ATOM 696 CB ALA A 42 12.051 -9.740 8.515 1.00 0.71 C ATOM 0 H ALA A 42 10.755 -7.790 7.842 1.00 0.58 H new ATOM 0 HA ALA A 42 11.558 -10.049 6.445 1.00 0.64 H new ATOM 0 HB1 ALA A 42 12.525 -10.714 8.639 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.811 -8.993 8.287 1.00 0.71 H new ATOM 0 HB3 ALA A 42 11.538 -9.466 9.437 1.00 0.71 H new ATOM 702 N ASN A 43 8.938 -10.539 8.292 1.00 0.74 N ATOM 703 CA ASN A 43 7.933 -11.506 8.703 1.00 0.83 C ATOM 704 C ASN A 43 6.650 -11.329 7.889 1.00 0.83 C ATOM 705 O ASN A 43 5.559 -11.661 8.343 1.00 1.07 O ATOM 706 CB ASN A 43 7.647 -11.348 10.203 1.00 0.99 C ATOM 707 CG ASN A 43 7.033 -12.589 10.835 1.00 1.28 C ATOM 708 OD1 ASN A 43 7.746 -13.487 11.279 1.00 1.56 O ATOM 709 ND2 ASN A 43 5.712 -12.642 10.899 1.00 2.16 N ATOM 0 H ASN A 43 8.722 -9.574 8.542 1.00 0.74 H new ATOM 0 HA ASN A 43 8.313 -12.511 8.518 1.00 0.83 H new ATOM 0 HB2 ASN A 43 8.577 -11.108 10.719 1.00 0.99 H new ATOM 0 HB3 ASN A 43 6.974 -10.503 10.350 1.00 0.99 H new ATOM 0 HD21 ASN A 43 5.254 -13.447 11.327 1.00 2.16 H new ATOM 0 HD22 ASN A 43 5.152 -11.878 10.520 1.00 2.16 H new ATOM 716 N THR A 44 6.773 -10.776 6.690 1.00 0.65 N ATOM 717 CA THR A 44 5.616 -10.615 5.828 1.00 0.61 C ATOM 718 C THR A 44 5.815 -11.359 4.518 1.00 0.59 C ATOM 719 O THR A 44 5.130 -12.340 4.231 1.00 0.66 O ATOM 720 CB THR A 44 5.339 -9.133 5.523 1.00 0.56 C ATOM 721 OG1 THR A 44 5.374 -8.379 6.739 1.00 0.65 O ATOM 722 CG2 THR A 44 3.982 -8.970 4.852 1.00 0.53 C ATOM 0 H THR A 44 7.651 -10.436 6.298 1.00 0.65 H new ATOM 0 HA THR A 44 4.761 -11.030 6.362 1.00 0.61 H new ATOM 0 HB THR A 44 6.107 -8.764 4.844 1.00 0.56 H new ATOM 0 HG1 THR A 44 5.824 -7.523 6.580 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.803 -7.915 4.644 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.968 -9.532 3.918 1.00 0.53 H new ATOM 0 HG23 THR A 44 3.202 -9.347 5.513 1.00 0.53 H new ATOM 730 N ILE A 45 6.784 -10.892 3.752 1.00 0.52 N ATOM 731 CA ILE A 45 7.032 -11.398 2.416 1.00 0.52 C ATOM 732 C ILE A 45 7.904 -12.652 2.468 1.00 0.59 C ATOM 733 O ILE A 45 8.865 -12.710 3.239 1.00 0.60 O ATOM 734 CB ILE A 45 7.724 -10.310 1.572 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.904 -9.009 1.593 1.00 0.39 C ATOM 736 CG2 ILE A 45 7.936 -10.793 0.141 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.516 -7.890 0.778 1.00 0.36 C ATOM 0 H ILE A 45 7.422 -10.150 4.040 1.00 0.52 H new ATOM 0 HA ILE A 45 6.079 -11.661 1.958 1.00 0.52 H new ATOM 0 HB ILE A 45 8.701 -10.105 2.009 1.00 0.43 H new ATOM 0 HG12 ILE A 45 5.902 -9.215 1.216 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.794 -8.676 2.625 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.426 -10.010 -0.438 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.562 -11.685 0.147 1.00 0.47 H new ATOM 0 HG23 ILE A 45 6.972 -11.029 -0.310 1.00 0.47 H new ATOM 0 HD11 ILE A 45 6.882 -7.006 0.841 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.506 -7.655 1.168 1.00 0.36 H new ATOM 0 HD13 ILE A 45 7.601 -8.202 -0.263 1.00 0.36 H new ATOM 749 N LYS A 46 7.553 -13.660 1.660 1.00 0.67 N ATOM 750 CA LYS A 46 8.292 -14.917 1.633 1.00 0.73 C ATOM 751 C LYS A 46 9.741 -14.674 1.272 1.00 0.68 C ATOM 752 O LYS A 46 10.038 -14.015 0.274 1.00 0.63 O ATOM 753 CB LYS A 46 7.667 -15.921 0.644 1.00 0.82 C ATOM 754 CG LYS A 46 7.981 -15.682 -0.832 1.00 0.79 C ATOM 755 CD LYS A 46 9.192 -16.500 -1.279 1.00 0.75 C ATOM 756 CE LYS A 46 9.525 -16.251 -2.739 1.00 0.88 C ATOM 757 NZ LYS A 46 10.634 -17.121 -3.211 1.00 1.61 N ATOM 0 H LYS A 46 6.761 -13.624 1.018 1.00 0.67 H new ATOM 0 HA LYS A 46 8.239 -15.348 2.633 1.00 0.73 H new ATOM 0 HB2 LYS A 46 8.004 -16.923 0.910 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.585 -15.904 0.773 1.00 0.82 H new ATOM 0 HG2 LYS A 46 7.115 -15.948 -1.438 1.00 0.79 H new ATOM 0 HG3 LYS A 46 8.173 -14.622 -0.999 1.00 0.79 H new ATOM 0 HD2 LYS A 46 10.052 -16.245 -0.660 1.00 0.75 H new ATOM 0 HD3 LYS A 46 8.992 -17.561 -1.126 1.00 0.75 H new ATOM 0 HE2 LYS A 46 8.639 -16.429 -3.349 1.00 0.88 H new ATOM 0 HE3 LYS A 46 9.801 -15.205 -2.875 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 10.831 -16.920 -4.212 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 11.487 -16.933 -2.646 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 10.361 -18.119 -3.105 1.00 1.61 H new ATOM 771 N ASN A 47 10.632 -15.190 2.108 1.00 0.71 N ATOM 772 CA ASN A 47 12.063 -15.129 1.850 1.00 0.67 C ATOM 773 C ASN A 47 12.486 -13.721 1.468 1.00 0.59 C ATOM 774 O ASN A 47 13.318 -13.534 0.587 1.00 0.57 O ATOM 775 CB ASN A 47 12.456 -16.103 0.735 1.00 0.69 C ATOM 776 CG ASN A 47 12.309 -17.563 1.129 1.00 0.92 C ATOM 777 OD1 ASN A 47 11.461 -17.923 1.948 1.00 1.48 O ATOM 778 ND2 ASN A 47 13.131 -18.418 0.543 1.00 1.24 N ATOM 0 H ASN A 47 10.385 -15.660 2.979 1.00 0.71 H new ATOM 0 HA ASN A 47 12.576 -15.414 2.768 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.839 -15.907 -0.142 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.490 -15.915 0.446 1.00 0.69 H new ATOM 0 HD21 ASN A 47 13.075 -19.412 0.764 1.00 1.24 H new ATOM 0 HD22 ASN A 47 13.820 -18.083 -0.130 1.00 1.24 H new ATOM 785 N ILE A 48 11.903 -12.730 2.138 1.00 0.55 N ATOM 786 CA ILE A 48 12.219 -11.326 1.881 1.00 0.48 C ATOM 787 C ILE A 48 13.680 -11.051 2.212 1.00 0.48 C ATOM 788 O ILE A 48 14.229 -9.989 1.925 1.00 0.43 O ATOM 789 CB ILE A 48 11.309 -10.403 2.716 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.490 -8.940 2.309 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.586 -10.579 4.196 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.213 -8.688 0.845 1.00 0.38 C ATOM 0 H ILE A 48 11.205 -12.874 2.868 1.00 0.55 H new ATOM 0 HA ILE A 48 12.046 -11.121 0.824 1.00 0.48 H new ATOM 0 HB ILE A 48 10.274 -10.684 2.520 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.826 -8.318 2.910 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.510 -8.630 2.537 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.934 -9.919 4.769 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.396 -11.614 4.481 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.627 -10.330 4.403 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.360 -7.631 0.624 1.00 0.38 H new ATOM 0 HD12 ILE A 48 11.894 -9.284 0.238 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.185 -8.967 0.616 1.00 0.38 H new ATOM 804 N LYS A 49 14.299 -12.045 2.808 1.00 0.56 N ATOM 805 CA LYS A 49 15.690 -11.984 3.175 1.00 0.57 C ATOM 806 C LYS A 49 16.557 -12.319 1.973 1.00 0.55 C ATOM 807 O LYS A 49 17.771 -12.102 1.985 1.00 0.56 O ATOM 808 CB LYS A 49 15.958 -12.965 4.310 1.00 0.65 C ATOM 809 CG LYS A 49 15.010 -12.791 5.481 1.00 0.73 C ATOM 810 CD LYS A 49 15.075 -11.384 6.050 1.00 0.72 C ATOM 811 CE LYS A 49 16.416 -11.094 6.711 1.00 0.82 C ATOM 812 NZ LYS A 49 16.737 -12.064 7.793 1.00 1.11 N ATOM 0 H LYS A 49 13.844 -12.925 3.052 1.00 0.56 H new ATOM 0 HA LYS A 49 15.934 -10.976 3.510 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.874 -13.983 3.930 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.983 -12.838 4.658 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.991 -13.007 5.160 1.00 0.73 H new ATOM 0 HG3 LYS A 49 15.258 -13.511 6.261 1.00 0.73 H new ATOM 0 HD2 LYS A 49 14.901 -10.662 5.252 1.00 0.72 H new ATOM 0 HD3 LYS A 49 14.276 -11.251 6.779 1.00 0.72 H new ATOM 0 HE2 LYS A 49 17.203 -11.121 5.957 1.00 0.82 H new ATOM 0 HE3 LYS A 49 16.404 -10.085 7.123 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 17.525 -11.698 8.365 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 15.902 -12.197 8.399 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 17.008 -12.976 7.373 1.00 1.11 H new ATOM 826 N ASP A 50 15.921 -12.838 0.930 1.00 0.55 N ATOM 827 CA ASP A 50 16.640 -13.266 -0.256 1.00 0.56 C ATOM 828 C ASP A 50 16.748 -12.139 -1.248 1.00 0.50 C ATOM 829 O ASP A 50 15.773 -11.450 -1.547 1.00 0.47 O ATOM 830 CB ASP A 50 15.976 -14.463 -0.935 1.00 0.62 C ATOM 831 CG ASP A 50 16.993 -15.335 -1.636 1.00 0.97 C ATOM 832 OD1 ASP A 50 17.488 -14.932 -2.708 1.00 1.58 O ATOM 833 OD2 ASP A 50 17.320 -16.418 -1.107 1.00 1.57 O ATOM 0 H ASP A 50 14.911 -12.971 0.884 1.00 0.55 H new ATOM 0 HA ASP A 50 17.634 -13.567 0.075 1.00 0.56 H new ATOM 0 HB2 ASP A 50 15.439 -15.053 -0.192 1.00 0.62 H new ATOM 0 HB3 ASP A 50 15.238 -14.111 -1.656 1.00 0.62 H new ATOM 838 N LYS A 51 17.950 -11.970 -1.758 1.00 0.50 N ATOM 839 CA LYS A 51 18.236 -10.969 -2.758 1.00 0.48 C ATOM 840 C LYS A 51 17.442 -11.231 -4.024 1.00 0.50 C ATOM 841 O LYS A 51 17.133 -10.309 -4.763 1.00 0.48 O ATOM 842 CB LYS A 51 19.724 -10.984 -3.065 1.00 0.53 C ATOM 843 CG LYS A 51 20.139 -10.051 -4.188 1.00 0.83 C ATOM 844 CD LYS A 51 19.782 -8.608 -3.882 1.00 0.60 C ATOM 845 CE LYS A 51 20.118 -7.706 -5.052 1.00 0.83 C ATOM 846 NZ LYS A 51 21.560 -7.766 -5.407 1.00 0.92 N ATOM 0 H LYS A 51 18.760 -12.528 -1.487 1.00 0.50 H new ATOM 0 HA LYS A 51 17.948 -9.990 -2.374 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.272 -10.714 -2.162 1.00 0.53 H new ATOM 0 HB3 LYS A 51 20.019 -12.001 -3.325 1.00 0.53 H new ATOM 0 HG2 LYS A 51 21.214 -10.133 -4.350 1.00 0.83 H new ATOM 0 HG3 LYS A 51 19.652 -10.357 -5.114 1.00 0.83 H new ATOM 0 HD2 LYS A 51 18.719 -8.533 -3.654 1.00 0.60 H new ATOM 0 HD3 LYS A 51 20.322 -8.276 -2.995 1.00 0.60 H new ATOM 0 HE2 LYS A 51 19.520 -7.996 -5.916 1.00 0.83 H new ATOM 0 HE3 LYS A 51 19.848 -6.679 -4.807 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 21.787 -6.995 -6.067 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 22.134 -7.665 -4.546 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 21.769 -8.680 -5.857 1.00 0.92 H new ATOM 860 N ALA A 52 17.110 -12.491 -4.262 1.00 0.55 N ATOM 861 CA ALA A 52 16.321 -12.857 -5.422 1.00 0.60 C ATOM 862 C ALA A 52 14.906 -12.361 -5.245 1.00 0.58 C ATOM 863 O ALA A 52 14.252 -11.926 -6.190 1.00 0.60 O ATOM 864 CB ALA A 52 16.313 -14.363 -5.596 1.00 0.67 C ATOM 0 H ALA A 52 17.376 -13.275 -3.666 1.00 0.55 H new ATOM 0 HA ALA A 52 16.761 -12.401 -6.309 1.00 0.60 H new ATOM 0 HB1 ALA A 52 15.717 -14.625 -6.470 1.00 0.67 H new ATOM 0 HB2 ALA A 52 17.334 -14.719 -5.733 1.00 0.67 H new ATOM 0 HB3 ALA A 52 15.882 -14.829 -4.710 1.00 0.67 H new ATOM 870 N VAL A 53 14.454 -12.412 -4.010 1.00 0.54 N ATOM 871 CA VAL A 53 13.103 -12.004 -3.676 1.00 0.53 C ATOM 872 C VAL A 53 13.024 -10.489 -3.657 1.00 0.47 C ATOM 873 O VAL A 53 12.080 -9.892 -4.173 1.00 0.48 O ATOM 874 CB VAL A 53 12.666 -12.599 -2.317 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.432 -11.907 -1.755 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.408 -14.087 -2.460 1.00 0.60 C ATOM 0 H VAL A 53 15.006 -12.734 -3.215 1.00 0.54 H new ATOM 0 HA VAL A 53 12.419 -12.385 -4.434 1.00 0.53 H new ATOM 0 HB VAL A 53 13.481 -12.434 -1.612 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.164 -12.360 -0.800 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.644 -10.848 -1.608 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.603 -12.017 -2.454 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.101 -14.497 -1.498 1.00 0.60 H new ATOM 0 HG22 VAL A 53 11.618 -14.251 -3.193 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.320 -14.584 -2.792 1.00 0.60 H new ATOM 886 N ILE A 54 14.042 -9.881 -3.081 1.00 0.42 N ATOM 887 CA ILE A 54 14.177 -8.435 -3.085 1.00 0.36 C ATOM 888 C ILE A 54 14.302 -7.902 -4.500 1.00 0.38 C ATOM 889 O ILE A 54 13.743 -6.861 -4.838 1.00 0.38 O ATOM 890 CB ILE A 54 15.399 -8.029 -2.274 1.00 0.35 C ATOM 891 CG1 ILE A 54 15.128 -8.388 -0.822 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.709 -6.540 -2.440 1.00 0.32 C ATOM 893 CD1 ILE A 54 16.235 -7.996 0.114 1.00 0.38 C ATOM 0 H ILE A 54 14.796 -10.371 -2.599 1.00 0.42 H new ATOM 0 HA ILE A 54 13.280 -8.008 -2.636 1.00 0.36 H new ATOM 0 HB ILE A 54 16.281 -8.562 -2.629 1.00 0.35 H new ATOM 0 HG12 ILE A 54 14.206 -7.903 -0.503 1.00 0.37 H new ATOM 0 HG13 ILE A 54 14.965 -9.463 -0.747 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.587 -6.283 -1.848 1.00 0.32 H new ATOM 0 HG22 ILE A 54 15.904 -6.324 -3.490 1.00 0.32 H new ATOM 0 HG23 ILE A 54 14.857 -5.951 -2.100 1.00 0.32 H new ATOM 0 HD11 ILE A 54 15.970 -8.284 1.131 1.00 0.38 H new ATOM 0 HD12 ILE A 54 17.155 -8.502 -0.179 1.00 0.38 H new ATOM 0 HD13 ILE A 54 16.384 -6.917 0.069 1.00 0.38 H new ATOM 905 N ASP A 55 15.041 -8.629 -5.319 1.00 0.43 N ATOM 906 CA ASP A 55 15.210 -8.286 -6.718 1.00 0.47 C ATOM 907 C ASP A 55 13.871 -8.294 -7.401 1.00 0.48 C ATOM 908 O ASP A 55 13.473 -7.312 -7.996 1.00 0.49 O ATOM 909 CB ASP A 55 16.134 -9.287 -7.390 1.00 0.55 C ATOM 910 CG ASP A 55 16.217 -9.107 -8.889 1.00 0.86 C ATOM 911 OD1 ASP A 55 16.977 -8.219 -9.337 1.00 1.44 O ATOM 912 OD2 ASP A 55 15.539 -9.856 -9.624 1.00 1.53 O ATOM 0 H ASP A 55 15.539 -9.472 -5.033 1.00 0.43 H new ATOM 0 HA ASP A 55 15.650 -7.292 -6.793 1.00 0.47 H new ATOM 0 HB2 ASP A 55 17.133 -9.193 -6.963 1.00 0.55 H new ATOM 0 HB3 ASP A 55 15.787 -10.297 -7.170 1.00 0.55 H new ATOM 917 N GLU A 56 13.179 -9.409 -7.272 1.00 0.51 N ATOM 918 CA GLU A 56 11.835 -9.562 -7.795 1.00 0.54 C ATOM 919 C GLU A 56 10.965 -8.350 -7.463 1.00 0.47 C ATOM 920 O GLU A 56 10.276 -7.806 -8.332 1.00 0.49 O ATOM 921 CB GLU A 56 11.227 -10.824 -7.199 1.00 0.58 C ATOM 922 CG GLU A 56 11.613 -12.097 -7.931 1.00 0.69 C ATOM 923 CD GLU A 56 11.241 -12.061 -9.399 1.00 1.06 C ATOM 924 OE1 GLU A 56 10.037 -12.155 -9.716 1.00 1.66 O ATOM 925 OE2 GLU A 56 12.154 -11.949 -10.243 1.00 1.77 O ATOM 0 H GLU A 56 13.535 -10.239 -6.799 1.00 0.51 H new ATOM 0 HA GLU A 56 11.882 -9.640 -8.881 1.00 0.54 H new ATOM 0 HB2 GLU A 56 11.536 -10.908 -6.157 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.141 -10.729 -7.203 1.00 0.58 H new ATOM 0 HG2 GLU A 56 12.687 -12.255 -7.836 1.00 0.69 H new ATOM 0 HG3 GLU A 56 11.123 -12.947 -7.457 1.00 0.69 H new ATOM 932 N ILE A 57 11.025 -7.910 -6.212 1.00 0.42 N ATOM 933 CA ILE A 57 10.238 -6.780 -5.772 1.00 0.39 C ATOM 934 C ILE A 57 10.735 -5.489 -6.404 1.00 0.36 C ATOM 935 O ILE A 57 9.985 -4.796 -7.086 1.00 0.37 O ATOM 936 CB ILE A 57 10.296 -6.637 -4.251 1.00 0.40 C ATOM 937 CG1 ILE A 57 9.785 -7.912 -3.582 1.00 0.48 C ATOM 938 CG2 ILE A 57 9.492 -5.430 -3.804 1.00 0.59 C ATOM 939 CD1 ILE A 57 9.751 -7.834 -2.077 1.00 1.00 C ATOM 0 H ILE A 57 11.613 -8.324 -5.489 1.00 0.42 H new ATOM 0 HA ILE A 57 9.209 -6.962 -6.083 1.00 0.39 H new ATOM 0 HB ILE A 57 11.332 -6.485 -3.950 1.00 0.40 H new ATOM 0 HG12 ILE A 57 8.781 -8.127 -3.949 1.00 0.48 H new ATOM 0 HG13 ILE A 57 10.419 -8.747 -3.880 1.00 0.48 H new ATOM 0 HG21 ILE A 57 9.542 -5.341 -2.719 1.00 0.59 H new ATOM 0 HG22 ILE A 57 9.902 -4.530 -4.262 1.00 0.59 H new ATOM 0 HG23 ILE A 57 8.453 -5.551 -4.110 1.00 0.59 H new ATOM 0 HD11 ILE A 57 9.378 -8.775 -1.672 1.00 1.00 H new ATOM 0 HD12 ILE A 57 10.757 -7.650 -1.699 1.00 1.00 H new ATOM 0 HD13 ILE A 57 9.094 -7.021 -1.770 1.00 1.00 H new ATOM 951 N PHE A 58 12.008 -5.185 -6.182 1.00 0.35 N ATOM 952 CA PHE A 58 12.604 -3.946 -6.658 1.00 0.36 C ATOM 953 C PHE A 58 12.432 -3.803 -8.159 1.00 0.41 C ATOM 954 O PHE A 58 12.068 -2.742 -8.649 1.00 0.44 O ATOM 955 CB PHE A 58 14.089 -3.894 -6.308 1.00 0.38 C ATOM 956 CG PHE A 58 14.758 -2.650 -6.806 1.00 0.52 C ATOM 957 CD1 PHE A 58 14.620 -1.454 -6.124 1.00 1.12 C ATOM 958 CD2 PHE A 58 15.516 -2.675 -7.963 1.00 1.52 C ATOM 959 CE1 PHE A 58 15.226 -0.306 -6.587 1.00 1.16 C ATOM 960 CE2 PHE A 58 16.124 -1.532 -8.430 1.00 1.68 C ATOM 961 CZ PHE A 58 15.979 -0.345 -7.739 1.00 0.93 C ATOM 0 H PHE A 58 12.652 -5.788 -5.670 1.00 0.35 H new ATOM 0 HA PHE A 58 12.091 -3.121 -6.164 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.205 -3.956 -5.226 1.00 0.38 H new ATOM 0 HB3 PHE A 58 14.589 -4.765 -6.732 1.00 0.38 H new ATOM 0 HD1 PHE A 58 14.031 -1.420 -5.219 1.00 1.12 H new ATOM 0 HD2 PHE A 58 15.632 -3.602 -8.506 1.00 1.52 H new ATOM 0 HE1 PHE A 58 15.110 0.622 -6.047 1.00 1.16 H new ATOM 0 HE2 PHE A 58 16.713 -1.563 -9.335 1.00 1.68 H new ATOM 0 HZ PHE A 58 16.456 0.553 -8.102 1.00 0.93 H new ATOM 971 N GLN A 59 12.682 -4.885 -8.873 1.00 0.45 N ATOM 972 CA GLN A 59 12.540 -4.914 -10.317 1.00 0.52 C ATOM 973 C GLN A 59 11.088 -4.645 -10.704 1.00 0.52 C ATOM 974 O GLN A 59 10.804 -4.101 -11.772 1.00 0.57 O ATOM 975 CB GLN A 59 12.980 -6.275 -10.868 1.00 0.58 C ATOM 976 CG GLN A 59 14.452 -6.621 -10.635 1.00 0.61 C ATOM 977 CD GLN A 59 15.410 -5.545 -11.111 1.00 1.10 C ATOM 978 OE1 GLN A 59 15.112 -4.780 -12.032 1.00 1.92 O ATOM 979 NE2 GLN A 59 16.583 -5.504 -10.505 1.00 1.63 N ATOM 0 H GLN A 59 12.989 -5.769 -8.468 1.00 0.45 H new ATOM 0 HA GLN A 59 13.175 -4.138 -10.745 1.00 0.52 H new ATOM 0 HB2 GLN A 59 12.364 -7.051 -10.414 1.00 0.58 H new ATOM 0 HB3 GLN A 59 12.782 -6.298 -11.940 1.00 0.58 H new ATOM 0 HG2 GLN A 59 14.612 -6.794 -9.571 1.00 0.61 H new ATOM 0 HG3 GLN A 59 14.683 -7.555 -11.148 1.00 0.61 H new ATOM 0 HE21 GLN A 59 16.789 -6.155 -9.747 1.00 1.63 H new ATOM 0 HE22 GLN A 59 17.283 -4.821 -10.795 1.00 1.63 H new ATOM 988 N GLY A 60 10.176 -5.033 -9.819 1.00 0.48 N ATOM 989 CA GLY A 60 8.768 -4.783 -10.038 1.00 0.49 C ATOM 990 C GLY A 60 8.377 -3.333 -9.794 1.00 0.47 C ATOM 991 O GLY A 60 7.357 -2.873 -10.307 1.00 0.53 O ATOM 0 H GLY A 60 10.392 -5.519 -8.949 1.00 0.48 H new ATOM 0 HA2 GLY A 60 8.511 -5.056 -11.062 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.184 -5.427 -9.381 1.00 0.49 H new ATOM 995 N LEU A 61 9.173 -2.609 -9.008 1.00 0.42 N ATOM 996 CA LEU A 61 8.882 -1.210 -8.723 1.00 0.44 C ATOM 997 C LEU A 61 9.683 -0.317 -9.650 1.00 0.51 C ATOM 998 O LEU A 61 9.162 0.670 -10.160 1.00 0.58 O ATOM 999 CB LEU A 61 9.209 -0.842 -7.268 1.00 0.39 C ATOM 1000 CG LEU A 61 9.304 -2.009 -6.285 1.00 0.34 C ATOM 1001 CD1 LEU A 61 9.851 -1.525 -4.953 1.00 0.31 C ATOM 1002 CD2 LEU A 61 7.944 -2.666 -6.092 1.00 0.35 C ATOM 0 H LEU A 61 10.017 -2.967 -8.562 1.00 0.42 H new ATOM 0 HA LEU A 61 7.814 -1.061 -8.882 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.157 -0.304 -7.255 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.446 -0.152 -6.909 1.00 0.39 H new ATOM 0 HG LEU A 61 9.985 -2.753 -6.698 1.00 0.34 H new ATOM 0 HD11 LEU A 61 9.915 -2.364 -4.260 1.00 0.31 H new ATOM 0 HD12 LEU A 61 10.844 -1.099 -5.100 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.187 -0.764 -4.542 1.00 0.31 H new ATOM 0 HD21 LEU A 61 8.036 -3.494 -5.389 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.238 -1.933 -5.700 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.582 -3.042 -7.049 1.00 0.35 H new ATOM 1014 N ASP A 62 10.947 -0.690 -9.861 1.00 0.50 N ATOM 1015 CA ASP A 62 11.875 0.065 -10.705 1.00 0.59 C ATOM 1016 C ASP A 62 11.426 0.034 -12.160 1.00 0.70 C ATOM 1017 O ASP A 62 11.951 -0.711 -12.989 1.00 0.75 O ATOM 1018 CB ASP A 62 13.300 -0.495 -10.562 1.00 0.57 C ATOM 1019 CG ASP A 62 14.308 0.135 -11.516 1.00 0.64 C ATOM 1020 OD1 ASP A 62 14.525 1.363 -11.455 1.00 1.11 O ATOM 1021 OD2 ASP A 62 14.897 -0.608 -12.334 1.00 1.40 O ATOM 0 H ASP A 62 11.357 -1.528 -9.449 1.00 0.50 H new ATOM 0 HA ASP A 62 11.877 1.104 -10.375 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.639 -0.342 -9.537 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.276 -1.571 -10.733 1.00 0.57 H new ATOM 1026 N ALA A 63 10.421 0.831 -12.444 1.00 0.78 N ATOM 1027 CA ALA A 63 9.911 0.992 -13.791 1.00 0.94 C ATOM 1028 C ALA A 63 10.795 1.960 -14.553 1.00 1.12 C ATOM 1029 O ALA A 63 10.762 2.033 -15.782 1.00 1.30 O ATOM 1030 CB ALA A 63 8.474 1.482 -13.752 1.00 0.99 C ATOM 0 H ALA A 63 9.931 1.389 -11.745 1.00 0.78 H new ATOM 0 HA ALA A 63 9.924 0.030 -14.303 1.00 0.94 H new ATOM 0 HB1 ALA A 63 8.102 1.599 -14.770 1.00 0.99 H new ATOM 0 HB2 ALA A 63 7.857 0.757 -13.221 1.00 0.99 H new ATOM 0 HB3 ALA A 63 8.431 2.442 -13.237 1.00 0.99 H new ATOM 1036 N ASN A 64 11.596 2.699 -13.797 1.00 1.09 N ATOM 1037 CA ASN A 64 12.546 3.641 -14.363 1.00 1.28 C ATOM 1038 C ASN A 64 13.704 2.887 -15.012 1.00 1.21 C ATOM 1039 O ASN A 64 14.407 3.412 -15.878 1.00 1.37 O ATOM 1040 CB ASN A 64 13.062 4.567 -13.258 1.00 1.34 C ATOM 1041 CG ASN A 64 14.017 5.639 -13.755 1.00 2.03 C ATOM 1042 OD1 ASN A 64 14.965 6.002 -13.060 1.00 2.55 O ATOM 1043 ND2 ASN A 64 13.764 6.178 -14.938 1.00 2.80 N ATOM 0 H ASN A 64 11.604 2.661 -12.778 1.00 1.09 H new ATOM 0 HA ASN A 64 12.053 4.241 -15.128 1.00 1.28 H new ATOM 0 HB2 ASN A 64 12.212 5.047 -12.772 1.00 1.34 H new ATOM 0 HB3 ASN A 64 13.566 3.968 -12.500 1.00 1.34 H new ATOM 0 HD21 ASN A 64 14.364 6.919 -15.300 1.00 2.80 H new ATOM 0 HD22 ASN A 64 12.969 5.852 -15.487 1.00 2.80 H new ATOM 1050 N GLN A 65 13.859 1.630 -14.585 1.00 1.03 N ATOM 1051 CA GLN A 65 14.822 0.693 -15.164 1.00 1.05 C ATOM 1052 C GLN A 65 16.247 1.209 -15.040 1.00 1.04 C ATOM 1053 O GLN A 65 17.081 0.965 -15.907 1.00 1.17 O ATOM 1054 CB GLN A 65 14.484 0.410 -16.630 1.00 1.31 C ATOM 1055 CG GLN A 65 13.117 -0.225 -16.827 1.00 1.37 C ATOM 1056 CD GLN A 65 12.803 -0.493 -18.284 1.00 2.03 C ATOM 1057 OE1 GLN A 65 13.096 -1.568 -18.810 1.00 2.72 O ATOM 1058 NE2 GLN A 65 12.208 0.483 -18.949 1.00 2.57 N ATOM 0 H GLN A 65 13.314 1.232 -13.820 1.00 1.03 H new ATOM 0 HA GLN A 65 14.754 -0.238 -14.601 1.00 1.05 H new ATOM 0 HB2 GLN A 65 14.526 1.344 -17.191 1.00 1.31 H new ATOM 0 HB3 GLN A 65 15.245 -0.248 -17.049 1.00 1.31 H new ATOM 0 HG2 GLN A 65 13.072 -1.162 -16.271 1.00 1.37 H new ATOM 0 HG3 GLN A 65 12.353 0.430 -16.409 1.00 1.37 H new ATOM 0 HE21 GLN A 65 11.982 1.358 -18.476 1.00 2.57 H new ATOM 0 HE22 GLN A 65 11.975 0.360 -19.934 1.00 2.57 H new ATOM 1067 N ASP A 66 16.521 1.906 -13.949 1.00 0.93 N ATOM 1068 CA ASP A 66 17.841 2.492 -13.727 1.00 0.95 C ATOM 1069 C ASP A 66 18.282 2.233 -12.292 1.00 0.81 C ATOM 1070 O ASP A 66 19.201 2.866 -11.771 1.00 0.82 O ATOM 1071 CB ASP A 66 17.804 3.997 -14.020 1.00 1.06 C ATOM 1072 CG ASP A 66 19.182 4.632 -14.058 1.00 1.42 C ATOM 1073 OD1 ASP A 66 19.956 4.322 -14.987 1.00 1.89 O ATOM 1074 OD2 ASP A 66 19.492 5.457 -13.175 1.00 2.13 O ATOM 0 H ASP A 66 15.850 2.082 -13.201 1.00 0.93 H new ATOM 0 HA ASP A 66 18.561 2.029 -14.403 1.00 0.95 H new ATOM 0 HB2 ASP A 66 17.308 4.162 -14.976 1.00 1.06 H new ATOM 0 HB3 ASP A 66 17.203 4.494 -13.259 1.00 1.06 H new ATOM 1079 N GLU A 67 17.605 1.274 -11.672 1.00 0.73 N ATOM 1080 CA GLU A 67 17.801 0.948 -10.267 1.00 0.63 C ATOM 1081 C GLU A 67 17.469 2.158 -9.400 1.00 0.58 C ATOM 1082 O GLU A 67 18.269 2.601 -8.572 1.00 0.60 O ATOM 1083 CB GLU A 67 19.224 0.443 -9.976 1.00 0.68 C ATOM 1084 CG GLU A 67 19.375 -0.117 -8.565 1.00 0.97 C ATOM 1085 CD GLU A 67 20.795 -0.504 -8.216 1.00 1.42 C ATOM 1086 OE1 GLU A 67 21.585 0.386 -7.835 1.00 2.02 O ATOM 1087 OE2 GLU A 67 21.120 -1.703 -8.290 1.00 2.01 O ATOM 0 H GLU A 67 16.901 0.698 -12.134 1.00 0.73 H new ATOM 0 HA GLU A 67 17.122 0.132 -10.021 1.00 0.63 H new ATOM 0 HB2 GLU A 67 19.485 -0.330 -10.699 1.00 0.68 H new ATOM 0 HB3 GLU A 67 19.931 1.261 -10.115 1.00 0.68 H new ATOM 0 HG2 GLU A 67 19.023 0.626 -7.849 1.00 0.97 H new ATOM 0 HG3 GLU A 67 18.733 -0.991 -8.459 1.00 0.97 H new ATOM 1094 N GLN A 68 16.282 2.700 -9.609 1.00 0.61 N ATOM 1095 CA GLN A 68 15.802 3.801 -8.798 1.00 0.65 C ATOM 1096 C GLN A 68 14.367 3.545 -8.389 1.00 0.66 C ATOM 1097 O GLN A 68 13.480 3.465 -9.234 1.00 0.78 O ATOM 1098 CB GLN A 68 15.888 5.131 -9.552 1.00 0.85 C ATOM 1099 CG GLN A 68 17.305 5.572 -9.871 1.00 1.38 C ATOM 1100 CD GLN A 68 17.375 6.996 -10.392 1.00 1.63 C ATOM 1101 OE1 GLN A 68 18.365 7.697 -10.174 1.00 2.16 O ATOM 1102 NE2 GLN A 68 16.340 7.431 -11.092 1.00 2.07 N ATOM 0 H GLN A 68 15.634 2.394 -10.335 1.00 0.61 H new ATOM 0 HA GLN A 68 16.436 3.869 -7.914 1.00 0.65 H new ATOM 0 HB2 GLN A 68 15.327 5.046 -10.483 1.00 0.85 H new ATOM 0 HB3 GLN A 68 15.403 5.905 -8.958 1.00 0.85 H new ATOM 0 HG2 GLN A 68 17.918 5.488 -8.973 1.00 1.38 H new ATOM 0 HG3 GLN A 68 17.732 4.897 -10.613 1.00 1.38 H new ATOM 0 HE21 GLN A 68 15.539 6.820 -11.251 1.00 2.07 H new ATOM 0 HE22 GLN A 68 16.343 8.377 -11.473 1.00 2.07 H new ATOM 1111 N VAL A 69 14.147 3.416 -7.098 1.00 0.59 N ATOM 1112 CA VAL A 69 12.808 3.250 -6.576 1.00 0.64 C ATOM 1113 C VAL A 69 12.310 4.557 -5.950 1.00 0.64 C ATOM 1114 O VAL A 69 12.789 4.993 -4.906 1.00 0.68 O ATOM 1115 CB VAL A 69 12.743 2.078 -5.560 1.00 0.72 C ATOM 1116 CG1 VAL A 69 13.779 2.235 -4.455 1.00 1.81 C ATOM 1117 CG2 VAL A 69 11.348 1.946 -4.973 1.00 1.22 C ATOM 0 H VAL A 69 14.880 3.423 -6.389 1.00 0.59 H new ATOM 0 HA VAL A 69 12.148 2.999 -7.406 1.00 0.64 H new ATOM 0 HB VAL A 69 12.976 1.162 -6.103 1.00 0.72 H new ATOM 0 HG11 VAL A 69 13.703 1.396 -3.763 1.00 1.81 H new ATOM 0 HG12 VAL A 69 14.777 2.256 -4.892 1.00 1.81 H new ATOM 0 HG13 VAL A 69 13.599 3.166 -3.917 1.00 1.81 H new ATOM 0 HG21 VAL A 69 11.328 1.118 -4.264 1.00 1.22 H new ATOM 0 HG22 VAL A 69 11.080 2.870 -4.460 1.00 1.22 H new ATOM 0 HG23 VAL A 69 10.633 1.755 -5.773 1.00 1.22 H new ATOM 1127 N ASP A 70 11.374 5.202 -6.631 1.00 0.67 N ATOM 1128 CA ASP A 70 10.736 6.409 -6.114 1.00 0.73 C ATOM 1129 C ASP A 70 9.748 6.033 -5.017 1.00 0.64 C ATOM 1130 O ASP A 70 9.426 4.862 -4.863 1.00 0.56 O ATOM 1131 CB ASP A 70 10.012 7.147 -7.250 1.00 0.84 C ATOM 1132 CG ASP A 70 9.291 8.402 -6.795 1.00 1.38 C ATOM 1133 OD1 ASP A 70 9.928 9.470 -6.729 1.00 1.99 O ATOM 1134 OD2 ASP A 70 8.081 8.323 -6.503 1.00 2.02 O ATOM 0 H ASP A 70 11.037 4.909 -7.548 1.00 0.67 H new ATOM 0 HA ASP A 70 11.497 7.070 -5.698 1.00 0.73 H new ATOM 0 HB2 ASP A 70 10.737 7.413 -8.019 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.292 6.471 -7.711 1.00 0.84 H new ATOM 1139 N PHE A 71 9.262 7.005 -4.266 1.00 0.70 N ATOM 1140 CA PHE A 71 8.268 6.744 -3.231 1.00 0.66 C ATOM 1141 C PHE A 71 6.984 6.171 -3.838 1.00 0.55 C ATOM 1142 O PHE A 71 6.237 5.454 -3.177 1.00 0.48 O ATOM 1143 CB PHE A 71 7.974 8.020 -2.455 1.00 0.82 C ATOM 1144 CG PHE A 71 9.155 8.511 -1.666 1.00 1.12 C ATOM 1145 CD1 PHE A 71 9.378 8.058 -0.375 1.00 1.92 C ATOM 1146 CD2 PHE A 71 10.048 9.417 -2.218 1.00 1.50 C ATOM 1147 CE1 PHE A 71 10.467 8.501 0.350 1.00 2.17 C ATOM 1148 CE2 PHE A 71 11.138 9.863 -1.497 1.00 1.76 C ATOM 1149 CZ PHE A 71 11.349 9.403 -0.212 1.00 1.76 C ATOM 0 H PHE A 71 9.537 7.984 -4.351 1.00 0.70 H new ATOM 0 HA PHE A 71 8.672 6.002 -2.543 1.00 0.66 H new ATOM 0 HB2 PHE A 71 7.660 8.798 -3.151 1.00 0.82 H new ATOM 0 HB3 PHE A 71 7.139 7.843 -1.777 1.00 0.82 H new ATOM 0 HD1 PHE A 71 8.693 7.351 0.069 1.00 1.92 H new ATOM 0 HD2 PHE A 71 9.889 9.778 -3.223 1.00 1.50 H new ATOM 0 HE1 PHE A 71 10.629 8.142 1.356 1.00 2.17 H new ATOM 0 HE2 PHE A 71 11.825 10.571 -1.937 1.00 1.76 H new ATOM 0 HZ PHE A 71 12.203 9.748 0.353 1.00 1.76 H new ATOM 1159 N GLN A 72 6.738 6.497 -5.101 1.00 0.59 N ATOM 1160 CA GLN A 72 5.637 5.906 -5.852 1.00 0.56 C ATOM 1161 C GLN A 72 5.929 4.440 -6.157 1.00 0.49 C ATOM 1162 O GLN A 72 5.035 3.600 -6.164 1.00 0.47 O ATOM 1163 CB GLN A 72 5.412 6.671 -7.155 1.00 0.69 C ATOM 1164 CG GLN A 72 4.409 6.007 -8.078 1.00 0.74 C ATOM 1165 CD GLN A 72 4.267 6.721 -9.405 1.00 1.08 C ATOM 1166 OE1 GLN A 72 5.215 7.330 -9.899 1.00 1.66 O ATOM 1167 NE2 GLN A 72 3.085 6.654 -9.992 1.00 1.66 N ATOM 0 H GLN A 72 7.290 7.172 -5.630 1.00 0.59 H new ATOM 0 HA GLN A 72 4.734 5.968 -5.245 1.00 0.56 H new ATOM 0 HB2 GLN A 72 5.068 7.679 -6.921 1.00 0.69 H new ATOM 0 HB3 GLN A 72 6.363 6.772 -7.677 1.00 0.69 H new ATOM 0 HG2 GLN A 72 4.714 4.976 -8.257 1.00 0.74 H new ATOM 0 HG3 GLN A 72 3.438 5.971 -7.585 1.00 0.74 H new ATOM 0 HE21 GLN A 72 2.324 6.139 -9.549 1.00 1.66 H new ATOM 0 HE22 GLN A 72 2.933 7.118 -10.888 1.00 1.66 H new ATOM 1176 N GLU A 73 7.186 4.140 -6.402 1.00 0.49 N ATOM 1177 CA GLU A 73 7.605 2.778 -6.682 1.00 0.46 C ATOM 1178 C GLU A 73 7.748 1.995 -5.374 1.00 0.36 C ATOM 1179 O GLU A 73 7.521 0.790 -5.330 1.00 0.32 O ATOM 1180 CB GLU A 73 8.889 2.810 -7.512 1.00 0.56 C ATOM 1181 CG GLU A 73 8.664 3.481 -8.865 1.00 0.78 C ATOM 1182 CD GLU A 73 9.938 3.844 -9.599 1.00 1.15 C ATOM 1183 OE1 GLU A 73 10.583 4.831 -9.201 1.00 1.82 O ATOM 1184 OE2 GLU A 73 10.264 3.184 -10.608 1.00 1.99 O ATOM 0 H GLU A 73 7.943 4.824 -6.414 1.00 0.49 H new ATOM 0 HA GLU A 73 6.852 2.255 -7.271 1.00 0.46 H new ATOM 0 HB2 GLU A 73 9.665 3.345 -6.964 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.250 1.793 -7.665 1.00 0.56 H new ATOM 0 HG2 GLU A 73 8.073 2.815 -9.494 1.00 0.78 H new ATOM 0 HG3 GLU A 73 8.074 4.385 -8.716 1.00 0.78 H new ATOM 1191 N PHE A 74 8.091 2.701 -4.300 1.00 0.37 N ATOM 1192 CA PHE A 74 7.989 2.153 -2.948 1.00 0.34 C ATOM 1193 C PHE A 74 6.535 1.831 -2.638 1.00 0.32 C ATOM 1194 O PHE A 74 6.233 0.945 -1.845 1.00 0.33 O ATOM 1195 CB PHE A 74 8.512 3.151 -1.906 1.00 0.43 C ATOM 1196 CG PHE A 74 10.000 3.128 -1.683 1.00 0.78 C ATOM 1197 CD1 PHE A 74 10.601 2.054 -1.049 1.00 1.31 C ATOM 1198 CD2 PHE A 74 10.792 4.196 -2.074 1.00 1.44 C ATOM 1199 CE1 PHE A 74 11.963 2.042 -0.812 1.00 1.77 C ATOM 1200 CE2 PHE A 74 12.154 4.188 -1.845 1.00 1.92 C ATOM 1201 CZ PHE A 74 12.740 3.110 -1.212 1.00 1.89 C ATOM 0 H PHE A 74 8.443 3.657 -4.339 1.00 0.37 H new ATOM 0 HA PHE A 74 8.595 1.248 -2.902 1.00 0.34 H new ATOM 0 HB2 PHE A 74 8.223 4.156 -2.213 1.00 0.43 H new ATOM 0 HB3 PHE A 74 8.016 2.952 -0.956 1.00 0.43 H new ATOM 0 HD1 PHE A 74 9.998 1.215 -0.735 1.00 1.31 H new ATOM 0 HD2 PHE A 74 10.339 5.045 -2.564 1.00 1.44 H new ATOM 0 HE1 PHE A 74 12.418 1.198 -0.315 1.00 1.77 H new ATOM 0 HE2 PHE A 74 12.760 5.024 -2.161 1.00 1.92 H new ATOM 0 HZ PHE A 74 13.805 3.103 -1.030 1.00 1.89 H new ATOM 1211 N ILE A 75 5.643 2.563 -3.283 1.00 0.33 N ATOM 1212 CA ILE A 75 4.217 2.324 -3.159 1.00 0.35 C ATOM 1213 C ILE A 75 3.870 0.995 -3.815 1.00 0.34 C ATOM 1214 O ILE A 75 3.076 0.212 -3.288 1.00 0.36 O ATOM 1215 CB ILE A 75 3.415 3.484 -3.791 1.00 0.41 C ATOM 1216 CG1 ILE A 75 3.005 4.490 -2.724 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.202 2.981 -4.552 1.00 0.45 C ATOM 1218 CD1 ILE A 75 2.565 5.809 -3.302 1.00 0.67 C ATOM 0 H ILE A 75 5.886 3.335 -3.904 1.00 0.33 H new ATOM 0 HA ILE A 75 3.948 2.276 -2.104 1.00 0.35 H new ATOM 0 HB ILE A 75 4.065 3.982 -4.510 1.00 0.41 H new ATOM 0 HG12 ILE A 75 2.194 4.071 -2.129 1.00 0.49 H new ATOM 0 HG13 ILE A 75 3.843 4.657 -2.047 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.665 3.827 -4.981 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.525 2.313 -5.351 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.544 2.441 -3.871 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.285 6.485 -2.494 1.00 0.67 H new ATOM 0 HD12 ILE A 75 3.383 6.247 -3.874 1.00 0.67 H new ATOM 0 HD13 ILE A 75 1.708 5.652 -3.957 1.00 0.67 H new ATOM 1230 N SER A 76 4.496 0.740 -4.957 1.00 0.34 N ATOM 1231 CA SER A 76 4.369 -0.537 -5.625 1.00 0.36 C ATOM 1232 C SER A 76 4.862 -1.651 -4.711 1.00 0.31 C ATOM 1233 O SER A 76 4.305 -2.737 -4.693 1.00 0.33 O ATOM 1234 CB SER A 76 5.158 -0.530 -6.931 1.00 0.45 C ATOM 1235 OG SER A 76 4.690 0.487 -7.803 1.00 0.74 O ATOM 0 H SER A 76 5.098 1.408 -5.437 1.00 0.34 H new ATOM 0 HA SER A 76 3.319 -0.713 -5.858 1.00 0.36 H new ATOM 0 HB2 SER A 76 6.216 -0.374 -6.720 1.00 0.45 H new ATOM 0 HB3 SER A 76 5.070 -1.501 -7.418 1.00 0.45 H new ATOM 0 HG SER A 76 5.212 0.473 -8.632 1.00 0.74 H new ATOM 1241 N LEU A 77 5.900 -1.366 -3.936 1.00 0.28 N ATOM 1242 CA LEU A 77 6.416 -2.326 -2.969 1.00 0.26 C ATOM 1243 C LEU A 77 5.330 -2.740 -1.990 1.00 0.23 C ATOM 1244 O LEU A 77 5.152 -3.923 -1.711 1.00 0.23 O ATOM 1245 CB LEU A 77 7.586 -1.727 -2.190 1.00 0.30 C ATOM 1246 CG LEU A 77 7.823 -2.362 -0.819 1.00 0.38 C ATOM 1247 CD1 LEU A 77 8.445 -3.736 -0.965 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.673 -1.455 0.056 1.00 1.15 C ATOM 0 H LEU A 77 6.401 -0.478 -3.958 1.00 0.28 H new ATOM 0 HA LEU A 77 6.757 -3.202 -3.521 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.493 -1.828 -2.786 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.410 -0.660 -2.057 1.00 0.30 H new ATOM 0 HG LEU A 77 6.859 -2.486 -0.325 1.00 0.38 H new ATOM 0 HD11 LEU A 77 8.605 -4.170 0.022 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.778 -4.378 -1.540 1.00 1.11 H new ATOM 0 HD13 LEU A 77 9.400 -3.650 -1.483 1.00 1.11 H new ATOM 0 HD21 LEU A 77 8.829 -1.927 1.026 1.00 1.15 H new ATOM 0 HD22 LEU A 77 9.637 -1.286 -0.424 1.00 1.15 H new ATOM 0 HD23 LEU A 77 8.164 -0.501 0.194 1.00 1.15 H new ATOM 1260 N VAL A 78 4.605 -1.760 -1.476 1.00 0.24 N ATOM 1261 CA VAL A 78 3.558 -2.023 -0.507 1.00 0.25 C ATOM 1262 C VAL A 78 2.427 -2.789 -1.167 1.00 0.27 C ATOM 1263 O VAL A 78 1.698 -3.516 -0.513 1.00 0.28 O ATOM 1264 CB VAL A 78 3.011 -0.729 0.111 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.154 -1.039 1.326 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.156 0.205 0.471 1.00 0.31 C ATOM 0 H VAL A 78 4.724 -0.775 -1.715 1.00 0.24 H new ATOM 0 HA VAL A 78 3.994 -2.618 0.296 1.00 0.25 H new ATOM 0 HB VAL A 78 2.380 -0.228 -0.623 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.775 -0.109 1.751 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.316 -1.670 1.029 1.00 0.33 H new ATOM 0 HG13 VAL A 78 2.755 -1.560 2.071 1.00 0.33 H new ATOM 0 HG21 VAL A 78 3.756 1.120 0.909 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.812 -0.284 1.191 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.722 0.450 -0.428 1.00 0.31 H new ATOM 1276 N ALA A 79 2.294 -2.626 -2.471 1.00 0.31 N ATOM 1277 CA ALA A 79 1.361 -3.427 -3.241 1.00 0.35 C ATOM 1278 C ALA A 79 1.753 -4.897 -3.150 1.00 0.33 C ATOM 1279 O ALA A 79 0.930 -5.760 -2.850 1.00 0.33 O ATOM 1280 CB ALA A 79 1.349 -2.965 -4.690 1.00 0.43 C ATOM 0 H ALA A 79 2.821 -1.946 -3.019 1.00 0.31 H new ATOM 0 HA ALA A 79 0.357 -3.305 -2.834 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.646 -3.572 -5.260 1.00 0.43 H new ATOM 0 HB2 ALA A 79 1.045 -1.919 -4.736 1.00 0.43 H new ATOM 0 HB3 ALA A 79 2.347 -3.072 -5.114 1.00 0.43 H new ATOM 1286 N ILE A 80 3.032 -5.155 -3.385 1.00 0.32 N ATOM 1287 CA ILE A 80 3.606 -6.494 -3.273 1.00 0.32 C ATOM 1288 C ILE A 80 3.486 -7.007 -1.838 1.00 0.28 C ATOM 1289 O ILE A 80 3.215 -8.182 -1.606 1.00 0.31 O ATOM 1290 CB ILE A 80 5.104 -6.490 -3.704 1.00 0.34 C ATOM 1291 CG1 ILE A 80 5.263 -6.454 -5.234 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.841 -7.698 -3.140 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.584 -5.290 -5.925 1.00 0.40 C ATOM 0 H ILE A 80 3.706 -4.440 -3.660 1.00 0.32 H new ATOM 0 HA ILE A 80 3.050 -7.156 -3.937 1.00 0.32 H new ATOM 0 HB ILE A 80 5.544 -5.581 -3.295 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.326 -6.427 -5.472 1.00 0.38 H new ATOM 0 HG13 ILE A 80 4.867 -7.382 -5.646 1.00 0.38 H new ATOM 0 HG21 ILE A 80 6.883 -7.669 -3.457 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.792 -7.678 -2.051 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.376 -8.612 -3.508 1.00 0.36 H new ATOM 0 HD11 ILE A 80 4.755 -5.355 -7.000 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.513 -5.323 -5.725 1.00 0.40 H new ATOM 0 HD13 ILE A 80 4.995 -4.353 -5.548 1.00 0.40 H new ATOM 1305 N ALA A 81 3.664 -6.107 -0.886 1.00 0.23 N ATOM 1306 CA ALA A 81 3.687 -6.463 0.522 1.00 0.23 C ATOM 1307 C ALA A 81 2.285 -6.718 1.082 1.00 0.23 C ATOM 1308 O ALA A 81 2.088 -7.621 1.894 1.00 0.28 O ATOM 1309 CB ALA A 81 4.407 -5.380 1.298 1.00 0.24 C ATOM 0 H ALA A 81 3.796 -5.112 -1.067 1.00 0.23 H new ATOM 0 HA ALA A 81 4.227 -7.403 0.630 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.427 -5.642 2.356 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.428 -5.285 0.928 1.00 0.24 H new ATOM 0 HB3 ALA A 81 3.885 -4.432 1.169 1.00 0.24 H new ATOM 1315 N LEU A 82 1.312 -5.926 0.651 1.00 0.22 N ATOM 1316 CA LEU A 82 -0.082 -6.160 1.012 1.00 0.23 C ATOM 1317 C LEU A 82 -0.568 -7.421 0.323 1.00 0.24 C ATOM 1318 O LEU A 82 -1.363 -8.193 0.870 1.00 0.29 O ATOM 1319 CB LEU A 82 -0.959 -4.981 0.598 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.667 -3.660 1.307 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.539 -2.568 0.739 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -0.895 -3.790 2.800 1.00 0.31 C ATOM 0 H LEU A 82 1.461 -5.115 0.051 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.149 -6.273 2.094 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.849 -4.829 -0.476 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -2.001 -5.246 0.777 1.00 0.25 H new ATOM 0 HG LEU A 82 0.379 -3.402 1.143 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.325 -1.629 1.250 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.335 -2.457 -0.326 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.588 -2.828 0.882 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.681 -2.838 3.285 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -1.932 -4.067 2.987 1.00 0.31 H new ATOM 0 HD23 LEU A 82 -0.236 -4.559 3.203 1.00 0.31 H new ATOM 1334 N LYS A 83 -0.080 -7.611 -0.892 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.298 -8.838 -1.626 1.00 0.33 C ATOM 1336 C LYS A 83 0.269 -10.017 -0.845 1.00 0.31 C ATOM 1337 O LYS A 83 -0.328 -11.089 -0.797 1.00 0.44 O ATOM 1338 CB LYS A 83 0.358 -8.739 -3.000 1.00 0.42 C ATOM 1339 CG LYS A 83 -0.657 -8.668 -4.113 1.00 0.66 C ATOM 1340 CD LYS A 83 -1.519 -9.906 -4.101 1.00 1.04 C ATOM 1341 CE LYS A 83 -2.842 -9.678 -4.791 1.00 0.80 C ATOM 1342 NZ LYS A 83 -3.743 -8.786 -4.017 1.00 1.67 N ATOM 0 H LYS A 83 0.477 -6.918 -1.393 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.368 -8.995 -1.760 1.00 0.33 H new ATOM 0 HB2 LYS A 83 0.994 -7.855 -3.034 1.00 0.42 H new ATOM 0 HB3 LYS A 83 1.005 -9.603 -3.155 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -1.278 -7.780 -3.994 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -0.150 -8.576 -5.074 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -0.989 -10.722 -4.593 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -1.695 -10.215 -3.071 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -2.664 -9.244 -5.775 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -3.335 -10.637 -4.950 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -4.540 -9.339 -3.641 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -3.216 -8.359 -3.229 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -4.106 -8.035 -4.638 1.00 1.67 H new ATOM 1356 N ALA A 84 1.414 -9.783 -0.214 1.00 0.31 N ATOM 1357 CA ALA A 84 2.097 -10.787 0.593 1.00 0.35 C ATOM 1358 C ALA A 84 1.351 -11.069 1.888 1.00 0.33 C ATOM 1359 O ALA A 84 1.537 -12.112 2.507 1.00 0.40 O ATOM 1360 CB ALA A 84 3.514 -10.330 0.901 1.00 0.48 C ATOM 0 H ALA A 84 1.898 -8.886 -0.248 1.00 0.31 H new ATOM 0 HA ALA A 84 2.128 -11.712 0.017 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.017 -11.086 1.504 1.00 0.48 H new ATOM 0 HB2 ALA A 84 4.061 -10.187 -0.031 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.482 -9.389 1.451 1.00 0.48 H new ATOM 1366 N ALA A 85 0.542 -10.121 2.320 1.00 0.30 N ATOM 1367 CA ALA A 85 -0.235 -10.292 3.532 1.00 0.38 C ATOM 1368 C ALA A 85 -1.528 -11.067 3.266 1.00 0.44 C ATOM 1369 O ALA A 85 -1.753 -12.124 3.855 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.528 -8.939 4.159 1.00 0.43 C ATOM 0 H ALA A 85 0.406 -9.226 1.850 1.00 0.30 H new ATOM 0 HA ALA A 85 0.354 -10.882 4.234 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -1.112 -9.078 5.069 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.410 -8.440 4.403 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -1.092 -8.327 3.456 1.00 0.43 H new ATOM 1376 N HIS A 86 -2.373 -10.551 2.376 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.687 -11.153 2.138 1.00 0.59 C ATOM 1378 C HIS A 86 -3.631 -12.280 1.100 1.00 0.63 C ATOM 1379 O HIS A 86 -4.115 -13.378 1.348 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.713 -10.074 1.746 1.00 0.69 C ATOM 1381 CG HIS A 86 -6.057 -10.615 1.347 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -7.048 -10.910 2.257 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -6.570 -10.914 0.130 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -8.109 -11.366 1.619 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -7.848 -11.379 0.325 1.00 2.68 N ATOM 0 H HIS A 86 -2.176 -9.725 1.811 1.00 0.44 H new ATOM 0 HA HIS A 86 -4.012 -11.611 3.072 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -4.844 -9.391 2.586 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -4.310 -9.489 0.919 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -6.067 -10.807 -0.820 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -9.036 -11.677 2.078 1.00 2.66 H new ATOM 0 HE2 HIS A 86 -8.489 -11.684 -0.408 1.00 2.68 H new ATOM 1394 N TYR A 87 -3.028 -12.009 -0.049 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.947 -12.983 -1.141 1.00 0.65 C ATOM 1396 C TYR A 87 -1.685 -13.824 -0.989 1.00 0.62 C ATOM 1397 O TYR A 87 -1.120 -14.281 -1.974 1.00 0.66 O ATOM 1398 CB TYR A 87 -2.991 -12.314 -2.514 1.00 0.69 C ATOM 1399 CG TYR A 87 -3.588 -13.192 -3.592 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -4.917 -13.590 -3.523 1.00 1.44 C ATOM 1401 CD2 TYR A 87 -2.829 -13.624 -4.673 1.00 1.62 C ATOM 1402 CE1 TYR A 87 -5.474 -14.392 -4.498 1.00 1.55 C ATOM 1403 CE2 TYR A 87 -3.380 -14.427 -5.654 1.00 1.80 C ATOM 1404 CZ TYR A 87 -4.704 -14.808 -5.561 1.00 1.29 C ATOM 1405 OH TYR A 87 -5.257 -15.609 -6.536 1.00 1.52 O ATOM 0 H TYR A 87 -2.582 -11.115 -0.255 1.00 0.58 H new ATOM 0 HA TYR A 87 -3.822 -13.630 -1.078 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -3.571 -11.394 -2.443 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -1.979 -12.032 -2.805 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -5.525 -13.266 -2.691 1.00 1.44 H new ATOM 0 HD2 TYR A 87 -1.793 -13.328 -4.748 1.00 1.62 H new ATOM 0 HE1 TYR A 87 -6.509 -14.692 -4.428 1.00 1.55 H new ATOM 0 HE2 TYR A 87 -2.778 -14.755 -6.489 1.00 1.80 H new ATOM 0 HH TYR A 87 -4.580 -15.812 -7.215 1.00 1.52 H new ATOM 1415 N HIS A 88 -1.208 -13.871 0.255 1.00 0.59 N ATOM 1416 CA HIS A 88 0.051 -14.510 0.706 1.00 0.62 C ATOM 1417 C HIS A 88 0.351 -15.935 0.168 1.00 0.69 C ATOM 1418 O HIS A 88 1.143 -16.654 0.768 1.00 0.75 O ATOM 1419 CB HIS A 88 0.020 -14.564 2.240 1.00 0.65 C ATOM 1420 CG HIS A 88 -0.946 -15.563 2.809 1.00 1.54 C ATOM 1421 ND1 HIS A 88 -0.551 -16.605 3.619 1.00 2.37 N ATOM 1422 CD2 HIS A 88 -2.290 -15.672 2.692 1.00 2.40 C ATOM 1423 CE1 HIS A 88 -1.607 -17.310 3.972 1.00 3.25 C ATOM 1424 NE2 HIS A 88 -2.673 -16.765 3.424 1.00 3.26 N ATOM 0 H HIS A 88 -1.713 -13.441 1.030 1.00 0.59 H new ATOM 0 HA HIS A 88 0.850 -13.893 0.294 1.00 0.62 H new ATOM 0 HB2 HIS A 88 1.021 -14.798 2.603 1.00 0.65 H new ATOM 0 HB3 HIS A 88 -0.234 -13.575 2.621 1.00 0.65 H new ATOM 0 HD1 HIS A 88 0.409 -16.800 3.902 1.00 2.37 H new ATOM 0 HD2 HIS A 88 -2.939 -15.019 2.127 1.00 2.40 H new ATOM 0 HE1 HIS A 88 -1.599 -18.186 4.604 1.00 3.25 H new ATOM 1433 N THR A 89 -0.261 -16.341 -0.926 1.00 0.73 N ATOM 1434 CA THR A 89 -0.076 -17.678 -1.472 1.00 0.81 C ATOM 1435 C THR A 89 1.375 -17.949 -1.913 1.00 0.72 C ATOM 1436 O THR A 89 1.850 -19.080 -1.803 1.00 1.05 O ATOM 1437 CB THR A 89 -1.043 -17.921 -2.658 1.00 0.97 C ATOM 1438 OG1 THR A 89 -0.784 -19.190 -3.274 1.00 1.26 O ATOM 1439 CG2 THR A 89 -0.935 -16.810 -3.695 1.00 0.89 C ATOM 0 H THR A 89 -0.901 -15.757 -1.464 1.00 0.73 H new ATOM 0 HA THR A 89 -0.303 -18.376 -0.666 1.00 0.81 H new ATOM 0 HB THR A 89 -2.057 -17.922 -2.259 1.00 0.97 H new ATOM 0 HG1 THR A 89 -1.406 -19.325 -4.019 1.00 1.26 H new ATOM 0 HG21 THR A 89 -1.626 -17.009 -4.515 1.00 0.89 H new ATOM 0 HG22 THR A 89 -1.186 -15.855 -3.233 1.00 0.89 H new ATOM 0 HG23 THR A 89 0.084 -16.770 -4.081 1.00 0.89 H new ATOM 1447 N HIS A 90 2.079 -16.931 -2.409 1.00 0.65 N ATOM 1448 CA HIS A 90 3.451 -17.126 -2.900 1.00 0.64 C ATOM 1449 C HIS A 90 4.350 -15.959 -2.526 1.00 0.93 C ATOM 1450 O HIS A 90 5.557 -16.000 -2.745 1.00 1.77 O ATOM 1451 CB HIS A 90 3.442 -17.333 -4.420 1.00 0.91 C ATOM 1452 CG HIS A 90 4.727 -17.874 -4.978 1.00 1.72 C ATOM 1453 ND1 HIS A 90 4.993 -19.223 -5.080 1.00 2.44 N ATOM 1454 CD2 HIS A 90 5.818 -17.242 -5.475 1.00 2.68 C ATOM 1455 CE1 HIS A 90 6.187 -19.397 -5.613 1.00 3.33 C ATOM 1456 NE2 HIS A 90 6.705 -18.212 -5.861 1.00 3.47 N ATOM 0 H HIS A 90 1.732 -15.975 -2.483 1.00 0.65 H new ATOM 0 HA HIS A 90 3.856 -18.018 -2.421 1.00 0.64 H new ATOM 0 HB2 HIS A 90 2.632 -18.016 -4.677 1.00 0.91 H new ATOM 0 HB3 HIS A 90 3.222 -16.381 -4.903 1.00 0.91 H new ATOM 0 HD2 HIS A 90 5.961 -16.174 -5.552 1.00 2.68 H new ATOM 0 HE1 HIS A 90 6.659 -20.348 -5.812 1.00 3.33 H new ATOM 0 HE2 HIS A 90 7.622 -18.043 -6.275 1.00 3.47 H new ATOM 1465 N LYS A 91 3.769 -14.921 -1.966 1.00 0.91 N ATOM 1466 CA LYS A 91 4.559 -13.831 -1.429 1.00 1.63 C ATOM 1467 C LYS A 91 4.689 -13.988 0.081 1.00 2.59 C ATOM 1468 O LYS A 91 5.016 -13.043 0.791 1.00 3.47 O ATOM 1469 CB LYS A 91 3.939 -12.482 -1.799 1.00 1.09 C ATOM 1470 CG LYS A 91 4.104 -12.117 -3.267 1.00 1.28 C ATOM 1471 CD LYS A 91 3.413 -10.803 -3.602 1.00 0.87 C ATOM 1472 CE LYS A 91 3.623 -10.412 -5.057 1.00 0.78 C ATOM 1473 NZ LYS A 91 3.026 -11.398 -5.996 1.00 1.28 N ATOM 0 H LYS A 91 2.760 -14.807 -1.870 1.00 0.91 H new ATOM 0 HA LYS A 91 5.557 -13.862 -1.866 1.00 1.63 H new ATOM 0 HB2 LYS A 91 2.877 -12.501 -1.555 1.00 1.09 H new ATOM 0 HB3 LYS A 91 4.393 -11.703 -1.186 1.00 1.09 H new ATOM 0 HG2 LYS A 91 5.165 -12.041 -3.506 1.00 1.28 H new ATOM 0 HG3 LYS A 91 3.693 -12.913 -3.888 1.00 1.28 H new ATOM 0 HD2 LYS A 91 2.346 -10.891 -3.399 1.00 0.87 H new ATOM 0 HD3 LYS A 91 3.797 -10.015 -2.954 1.00 0.87 H new ATOM 0 HE2 LYS A 91 3.183 -9.431 -5.235 1.00 0.78 H new ATOM 0 HE3 LYS A 91 4.691 -10.323 -5.257 1.00 0.78 H new ATOM 0 HZ1 LYS A 91 3.042 -11.012 -6.962 1.00 1.28 H new ATOM 0 HZ2 LYS A 91 3.574 -12.281 -5.967 1.00 1.28 H new ATOM 0 HZ3 LYS A 91 2.043 -11.592 -5.717 1.00 1.28 H new ATOM 1487 N GLU A 92 4.445 -15.208 0.556 1.00 2.69 N ATOM 1488 CA GLU A 92 4.551 -15.540 1.971 1.00 3.81 C ATOM 1489 C GLU A 92 4.841 -17.031 2.115 1.00 4.36 C ATOM 1490 O GLU A 92 4.080 -17.839 1.544 1.00 4.92 O ATOM 1491 CB GLU A 92 3.258 -15.166 2.698 1.00 4.66 C ATOM 1492 CG GLU A 92 3.314 -15.267 4.219 1.00 5.75 C ATOM 1493 CD GLU A 92 2.979 -16.650 4.742 1.00 6.58 C ATOM 1494 OE1 GLU A 92 1.884 -17.160 4.423 1.00 7.00 O ATOM 1495 OE2 GLU A 92 3.795 -17.226 5.491 1.00 7.09 O ATOM 1496 OXT GLU A 92 5.832 -17.392 2.783 1.00 4.64 O ATOM 0 H GLU A 92 4.168 -15.994 -0.032 1.00 2.69 H new ATOM 0 HA GLU A 92 5.367 -14.974 2.421 1.00 3.81 H new ATOM 0 HB2 GLU A 92 2.991 -14.144 2.428 1.00 4.66 H new ATOM 0 HB3 GLU A 92 2.457 -15.811 2.336 1.00 4.66 H new ATOM 0 HG2 GLU A 92 4.312 -14.990 4.558 1.00 5.75 H new ATOM 0 HG3 GLU A 92 2.620 -14.545 4.650 1.00 5.75 H new TER 1503 GLU A 92 ATOM 1504 N MET B 1 9.351 1.734 14.320 1.00 4.70 N ATOM 1505 CA MET B 1 9.807 0.800 13.266 1.00 4.22 C ATOM 1506 C MET B 1 8.775 -0.298 13.067 1.00 3.60 C ATOM 1507 O MET B 1 7.871 -0.466 13.884 1.00 4.04 O ATOM 1508 CB MET B 1 11.158 0.173 13.639 1.00 4.51 C ATOM 1509 CG MET B 1 12.270 1.187 13.857 1.00 5.00 C ATOM 1510 SD MET B 1 12.562 2.231 12.415 1.00 5.79 S ATOM 1511 CE MET B 1 13.151 1.028 11.226 1.00 6.42 C ATOM 0 H1 MET B 1 9.519 2.713 14.013 1.00 4.70 H new ATOM 0 H2 MET B 1 8.335 1.594 14.492 1.00 4.70 H new ATOM 0 H3 MET B 1 9.878 1.551 15.198 1.00 4.70 H new ATOM 0 HA MET B 1 9.927 1.362 12.340 1.00 4.22 H new ATOM 0 HB2 MET B 1 11.035 -0.417 14.547 1.00 4.51 H new ATOM 0 HB3 MET B 1 11.458 -0.516 12.849 1.00 4.51 H new ATOM 0 HG2 MET B 1 12.018 1.817 14.710 1.00 5.00 H new ATOM 0 HG3 MET B 1 13.190 0.661 14.110 1.00 5.00 H new ATOM 0 HE1 MET B 1 14.120 1.343 10.839 1.00 6.42 H new ATOM 0 HE2 MET B 1 13.253 0.057 11.711 1.00 6.42 H new ATOM 0 HE3 MET B 1 12.439 0.950 10.404 1.00 6.42 H new ATOM 1523 N THR B 2 8.912 -1.039 11.985 1.00 3.07 N ATOM 1524 CA THR B 2 8.008 -2.130 11.684 1.00 2.91 C ATOM 1525 C THR B 2 8.747 -3.460 11.786 1.00 2.45 C ATOM 1526 O THR B 2 9.574 -3.788 10.947 1.00 3.04 O ATOM 1527 CB THR B 2 7.413 -1.969 10.269 1.00 3.67 C ATOM 1528 OG1 THR B 2 6.723 -0.714 10.174 1.00 4.26 O ATOM 1529 CG2 THR B 2 6.451 -3.100 9.939 1.00 4.23 C ATOM 0 H THR B 2 9.649 -0.902 11.293 1.00 3.07 H new ATOM 0 HA THR B 2 7.193 -2.113 12.408 1.00 2.91 H new ATOM 0 HB THR B 2 8.235 -1.999 9.553 1.00 3.67 H new ATOM 0 HG1 THR B 2 6.348 -0.614 9.274 1.00 4.26 H new ATOM 0 HG21 THR B 2 6.050 -2.956 8.936 1.00 4.23 H new ATOM 0 HG22 THR B 2 6.979 -4.052 9.985 1.00 4.23 H new ATOM 0 HG23 THR B 2 5.633 -3.104 10.659 1.00 4.23 H new ATOM 1537 N LYS B 3 8.482 -4.208 12.842 1.00 2.16 N ATOM 1538 CA LYS B 3 9.107 -5.510 13.014 1.00 2.53 C ATOM 1539 C LYS B 3 8.050 -6.605 12.943 1.00 2.08 C ATOM 1540 O LYS B 3 8.353 -7.799 12.954 1.00 2.81 O ATOM 1541 CB LYS B 3 9.874 -5.553 14.338 1.00 3.53 C ATOM 1542 CG LYS B 3 10.861 -6.708 14.452 1.00 4.29 C ATOM 1543 CD LYS B 3 11.883 -6.730 13.314 1.00 5.37 C ATOM 1544 CE LYS B 3 12.667 -5.427 13.198 1.00 5.97 C ATOM 1545 NZ LYS B 3 12.043 -4.476 12.233 1.00 6.04 N ATOM 0 H LYS B 3 7.842 -3.940 13.590 1.00 2.16 H new ATOM 0 HA LYS B 3 9.822 -5.681 12.209 1.00 2.53 H new ATOM 0 HB2 LYS B 3 10.414 -4.615 14.462 1.00 3.53 H new ATOM 0 HB3 LYS B 3 9.158 -5.620 15.157 1.00 3.53 H new ATOM 0 HG2 LYS B 3 11.386 -6.638 15.404 1.00 4.29 H new ATOM 0 HG3 LYS B 3 10.312 -7.650 14.459 1.00 4.29 H new ATOM 0 HD2 LYS B 3 12.578 -7.554 13.472 1.00 5.37 H new ATOM 0 HD3 LYS B 3 11.368 -6.924 12.373 1.00 5.37 H new ATOM 0 HE2 LYS B 3 12.732 -4.956 14.179 1.00 5.97 H new ATOM 0 HE3 LYS B 3 13.687 -5.646 12.881 1.00 5.97 H new ATOM 0 HZ1 LYS B 3 12.730 -3.737 11.980 1.00 6.04 H new ATOM 0 HZ2 LYS B 3 11.756 -4.990 11.375 1.00 6.04 H new ATOM 0 HZ3 LYS B 3 11.207 -4.037 12.669 1.00 6.04 H new ATOM 1559 N LEU B 4 6.803 -6.173 12.854 1.00 1.61 N ATOM 1560 CA LEU B 4 5.681 -7.070 12.656 1.00 1.98 C ATOM 1561 C LEU B 4 4.797 -6.490 11.563 1.00 1.51 C ATOM 1562 O LEU B 4 4.766 -5.273 11.372 1.00 2.03 O ATOM 1563 CB LEU B 4 4.893 -7.239 13.959 1.00 3.02 C ATOM 1564 CG LEU B 4 3.749 -8.257 13.909 1.00 3.80 C ATOM 1565 CD1 LEU B 4 4.283 -9.649 13.601 1.00 4.50 C ATOM 1566 CD2 LEU B 4 2.980 -8.259 15.220 1.00 4.44 C ATOM 0 H LEU B 4 6.542 -5.189 12.917 1.00 1.61 H new ATOM 0 HA LEU B 4 6.038 -8.056 12.359 1.00 1.98 H new ATOM 0 HB2 LEU B 4 5.586 -7.535 14.747 1.00 3.02 H new ATOM 0 HB3 LEU B 4 4.482 -6.270 14.243 1.00 3.02 H new ATOM 0 HG LEU B 4 3.067 -7.967 13.110 1.00 3.80 H new ATOM 0 HD11 LEU B 4 3.455 -10.358 13.570 1.00 4.50 H new ATOM 0 HD12 LEU B 4 4.789 -9.639 12.636 1.00 4.50 H new ATOM 0 HD13 LEU B 4 4.988 -9.948 14.377 1.00 4.50 H new ATOM 0 HD21 LEU B 4 2.171 -8.988 15.166 1.00 4.44 H new ATOM 0 HD22 LEU B 4 3.653 -8.523 16.036 1.00 4.44 H new ATOM 0 HD23 LEU B 4 2.564 -7.268 15.399 1.00 4.44 H new ATOM 1578 N GLU B 5 4.068 -7.343 10.857 1.00 1.20 N ATOM 1579 CA GLU B 5 3.297 -6.908 9.696 1.00 0.94 C ATOM 1580 C GLU B 5 1.988 -6.230 10.097 1.00 0.69 C ATOM 1581 O GLU B 5 0.976 -6.366 9.419 1.00 0.69 O ATOM 1582 CB GLU B 5 3.040 -8.080 8.733 1.00 1.39 C ATOM 1583 CG GLU B 5 3.126 -9.468 9.364 1.00 1.80 C ATOM 1584 CD GLU B 5 1.917 -9.832 10.200 1.00 2.48 C ATOM 1585 OE1 GLU B 5 1.730 -9.231 11.277 1.00 3.10 O ATOM 1586 OE2 GLU B 5 1.165 -10.741 9.792 1.00 3.00 O ATOM 0 H GLU B 5 3.993 -8.339 11.066 1.00 1.20 H new ATOM 0 HA GLU B 5 3.897 -6.163 9.174 1.00 0.94 H new ATOM 0 HB2 GLU B 5 2.050 -7.958 8.294 1.00 1.39 H new ATOM 0 HB3 GLU B 5 3.760 -8.024 7.917 1.00 1.39 H new ATOM 0 HG2 GLU B 5 3.247 -10.210 8.574 1.00 1.80 H new ATOM 0 HG3 GLU B 5 4.018 -9.519 9.989 1.00 1.80 H new ATOM 1593 N GLU B 6 2.036 -5.455 11.175 1.00 0.68 N ATOM 1594 CA GLU B 6 0.876 -4.715 11.658 1.00 0.67 C ATOM 1595 C GLU B 6 0.405 -3.716 10.607 1.00 0.54 C ATOM 1596 O GLU B 6 -0.785 -3.457 10.458 1.00 0.60 O ATOM 1597 CB GLU B 6 1.226 -3.965 12.943 1.00 0.78 C ATOM 1598 CG GLU B 6 1.755 -4.856 14.052 1.00 1.06 C ATOM 1599 CD GLU B 6 2.205 -4.065 15.261 1.00 1.78 C ATOM 1600 OE1 GLU B 6 1.351 -3.713 16.102 1.00 2.51 O ATOM 1601 OE2 GLU B 6 3.420 -3.790 15.379 1.00 2.48 O ATOM 0 H GLU B 6 2.877 -5.322 11.737 1.00 0.68 H new ATOM 0 HA GLU B 6 0.077 -5.428 11.859 1.00 0.67 H new ATOM 0 HB2 GLU B 6 1.972 -3.203 12.716 1.00 0.78 H new ATOM 0 HB3 GLU B 6 0.338 -3.444 13.301 1.00 0.78 H new ATOM 0 HG2 GLU B 6 0.978 -5.560 14.350 1.00 1.06 H new ATOM 0 HG3 GLU B 6 2.591 -5.444 13.674 1.00 1.06 H new ATOM 1608 N HIS B 7 1.355 -3.169 9.865 1.00 0.42 N ATOM 1609 CA HIS B 7 1.051 -2.153 8.867 1.00 0.38 C ATOM 1610 C HIS B 7 0.441 -2.792 7.623 1.00 0.35 C ATOM 1611 O HIS B 7 -0.683 -2.467 7.242 1.00 0.39 O ATOM 1612 CB HIS B 7 2.311 -1.358 8.501 1.00 0.43 C ATOM 1613 CG HIS B 7 2.859 -0.521 9.623 1.00 0.95 C ATOM 1614 ND1 HIS B 7 2.856 0.858 9.609 1.00 1.73 N ATOM 1615 CD2 HIS B 7 3.435 -0.878 10.797 1.00 1.60 C ATOM 1616 CE1 HIS B 7 3.407 1.309 10.724 1.00 2.16 C ATOM 1617 NE2 HIS B 7 3.765 0.276 11.460 1.00 2.03 N ATOM 0 H HIS B 7 2.343 -3.411 9.934 1.00 0.42 H new ATOM 0 HA HIS B 7 0.323 -1.462 9.293 1.00 0.38 H new ATOM 0 HB2 HIS B 7 3.083 -2.053 8.171 1.00 0.43 H new ATOM 0 HB3 HIS B 7 2.084 -0.709 7.655 1.00 0.43 H new ATOM 0 HD2 HIS B 7 3.603 -1.886 11.146 1.00 1.60 H new ATOM 0 HE1 HIS B 7 3.541 2.348 10.987 1.00 2.16 H new ATOM 0 HE2 HIS B 7 4.214 0.327 12.374 1.00 2.03 H new ATOM 1626 N LEU B 8 1.183 -3.712 7.012 1.00 0.34 N ATOM 1627 CA LEU B 8 0.730 -4.412 5.811 1.00 0.33 C ATOM 1628 C LEU B 8 -0.500 -5.264 6.092 1.00 0.34 C ATOM 1629 O LEU B 8 -1.565 -5.055 5.511 1.00 0.34 O ATOM 1630 CB LEU B 8 1.853 -5.298 5.292 1.00 0.33 C ATOM 1631 CG LEU B 8 3.147 -4.554 4.972 1.00 0.33 C ATOM 1632 CD1 LEU B 8 4.228 -5.522 4.553 1.00 0.33 C ATOM 1633 CD2 LEU B 8 2.916 -3.507 3.894 1.00 0.33 C ATOM 0 H LEU B 8 2.110 -3.993 7.332 1.00 0.34 H new ATOM 0 HA LEU B 8 0.460 -3.666 5.063 1.00 0.33 H new ATOM 0 HB2 LEU B 8 2.065 -6.067 6.034 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.510 -5.809 4.392 1.00 0.33 H new ATOM 0 HG LEU B 8 3.477 -4.042 5.876 1.00 0.33 H new ATOM 0 HD11 LEU B 8 5.142 -4.972 4.329 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.418 -6.228 5.362 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.905 -6.066 3.665 1.00 0.33 H new ATOM 0 HD21 LEU B 8 3.852 -2.990 3.683 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.557 -3.992 2.987 1.00 0.33 H new ATOM 0 HD23 LEU B 8 2.174 -2.787 4.239 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.353 -6.212 7.005 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.423 -7.143 7.307 1.00 0.40 C ATOM 1647 C GLU B 9 -2.565 -6.405 7.996 1.00 0.40 C ATOM 1648 O GLU B 9 -3.713 -6.821 7.922 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.884 -8.293 8.168 1.00 0.48 C ATOM 1650 CG GLU B 9 -1.767 -9.531 8.209 1.00 1.24 C ATOM 1651 CD GLU B 9 -2.871 -9.449 9.241 1.00 1.72 C ATOM 1652 OE1 GLU B 9 -2.597 -9.007 10.375 1.00 2.16 O ATOM 1653 OE2 GLU B 9 -4.012 -9.854 8.935 1.00 2.41 O ATOM 0 H GLU B 9 0.498 -6.355 7.548 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.812 -7.575 6.385 1.00 0.40 H new ATOM 0 HB2 GLU B 9 0.099 -8.578 7.793 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -0.744 -7.930 9.186 1.00 0.48 H new ATOM 0 HG2 GLU B 9 -2.210 -9.684 7.225 1.00 1.24 H new ATOM 0 HG3 GLU B 9 -1.148 -10.403 8.419 1.00 1.24 H new ATOM 1660 N GLY B 10 -2.241 -5.290 8.644 1.00 0.41 N ATOM 1661 CA GLY B 10 -3.263 -4.455 9.239 1.00 0.43 C ATOM 1662 C GLY B 10 -4.199 -3.859 8.203 1.00 0.39 C ATOM 1663 O GLY B 10 -5.410 -3.845 8.401 1.00 0.44 O ATOM 0 H GLY B 10 -1.287 -4.951 8.766 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.841 -5.044 9.951 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.789 -3.651 9.802 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.642 -3.373 7.094 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.457 -2.821 6.015 1.00 0.33 C ATOM 1669 C ILE B 11 -5.314 -3.926 5.395 1.00 0.33 C ATOM 1670 O ILE B 11 -6.515 -3.755 5.176 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.585 -2.145 4.928 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -2.888 -0.903 5.493 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.420 -1.769 3.716 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -3.845 0.194 5.917 1.00 1.16 C ATOM 0 H ILE B 11 -2.637 -3.351 6.921 1.00 0.34 H new ATOM 0 HA ILE B 11 -5.105 -2.054 6.440 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.827 -2.862 4.614 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -2.282 -1.196 6.351 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -2.205 -0.507 4.741 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.783 -1.296 2.968 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -4.872 -2.666 3.293 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -5.205 -1.074 4.016 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -3.279 1.040 6.306 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -4.434 0.516 5.058 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -4.511 -0.184 6.692 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.675 -5.060 5.133 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.358 -6.277 4.723 1.00 0.38 C ATOM 1688 C VAL B 12 -6.510 -6.623 5.675 1.00 0.40 C ATOM 1689 O VAL B 12 -7.607 -6.990 5.242 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.334 -7.421 4.679 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -4.992 -8.782 4.805 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.530 -7.321 3.397 1.00 0.48 C ATOM 0 H VAL B 12 -3.662 -5.160 5.200 1.00 0.33 H new ATOM 0 HA VAL B 12 -5.793 -6.126 3.735 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.668 -7.320 5.536 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.229 -9.560 4.769 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.526 -8.842 5.753 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.694 -8.924 3.984 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.801 -8.131 3.360 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -4.200 -7.397 2.541 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -3.010 -6.363 3.367 1.00 0.48 H new ATOM 1702 N ASN B 13 -6.250 -6.478 6.966 1.00 0.42 N ATOM 1703 CA ASN B 13 -7.226 -6.776 8.008 1.00 0.49 C ATOM 1704 C ASN B 13 -8.393 -5.792 7.964 1.00 0.48 C ATOM 1705 O ASN B 13 -9.533 -6.161 8.237 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.545 -6.731 9.380 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.477 -7.068 10.528 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -8.419 -7.845 10.385 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -7.212 -6.486 11.687 1.00 1.42 N ATOM 0 H ASN B 13 -5.353 -6.149 7.323 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.624 -7.776 7.835 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.708 -7.429 9.385 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -6.131 -5.735 9.539 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -7.798 -6.677 12.499 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -6.421 -5.847 11.768 1.00 1.42 H new ATOM 1716 N ILE B 14 -8.107 -4.542 7.617 1.00 0.48 N ATOM 1717 CA ILE B 14 -9.149 -3.525 7.502 1.00 0.57 C ATOM 1718 C ILE B 14 -10.065 -3.838 6.319 1.00 0.53 C ATOM 1719 O ILE B 14 -11.294 -3.709 6.416 1.00 0.61 O ATOM 1720 CB ILE B 14 -8.555 -2.105 7.347 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -7.634 -1.772 8.526 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -9.664 -1.066 7.240 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -8.313 -1.847 9.880 1.00 2.06 C ATOM 0 H ILE B 14 -7.166 -4.208 7.411 1.00 0.48 H new ATOM 0 HA ILE B 14 -9.727 -3.545 8.426 1.00 0.57 H new ATOM 0 HB ILE B 14 -7.968 -2.084 6.429 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -6.787 -2.458 8.517 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -7.232 -0.768 8.388 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -9.224 -0.074 7.132 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -10.285 -1.285 6.371 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -10.277 -1.095 8.141 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -7.595 -1.598 10.661 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -9.142 -1.140 9.911 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -8.690 -2.857 10.042 1.00 2.06 H new ATOM 1735 N PHE B 15 -9.467 -4.272 5.209 1.00 0.48 N ATOM 1736 CA PHE B 15 -10.248 -4.728 4.064 1.00 0.59 C ATOM 1737 C PHE B 15 -11.137 -5.879 4.498 1.00 0.61 C ATOM 1738 O PHE B 15 -12.344 -5.867 4.278 1.00 0.70 O ATOM 1739 CB PHE B 15 -9.346 -5.194 2.914 1.00 0.69 C ATOM 1740 CG PHE B 15 -8.441 -4.131 2.355 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -8.848 -2.808 2.297 1.00 1.75 C ATOM 1742 CD2 PHE B 15 -7.183 -4.464 1.881 1.00 1.93 C ATOM 1743 CE1 PHE B 15 -8.016 -1.837 1.778 1.00 2.35 C ATOM 1744 CE2 PHE B 15 -6.348 -3.497 1.359 1.00 2.54 C ATOM 1745 CZ PHE B 15 -6.765 -2.181 1.307 1.00 2.58 C ATOM 0 H PHE B 15 -8.456 -4.317 5.081 1.00 0.48 H new ATOM 0 HA PHE B 15 -10.848 -3.891 3.706 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.734 -6.025 3.264 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -9.974 -5.577 2.110 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -9.827 -2.534 2.662 1.00 1.75 H new ATOM 0 HD2 PHE B 15 -6.852 -5.491 1.920 1.00 1.93 H new ATOM 0 HE1 PHE B 15 -8.344 -0.809 1.740 1.00 2.35 H new ATOM 0 HE2 PHE B 15 -5.370 -3.769 0.992 1.00 2.54 H new ATOM 0 HZ PHE B 15 -6.113 -1.423 0.899 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.519 -6.848 5.160 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.213 -8.024 5.668 1.00 0.72 C ATOM 1757 C HIS B 16 -12.282 -7.634 6.693 1.00 0.75 C ATOM 1758 O HIS B 16 -13.219 -8.393 6.942 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.187 -8.983 6.291 1.00 0.77 C ATOM 1760 CG HIS B 16 -10.764 -10.264 6.813 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -10.600 -10.685 8.115 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -11.486 -11.230 6.197 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -11.194 -11.851 8.278 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -11.738 -12.203 7.131 1.00 2.23 N ATOM 0 H HIS B 16 -9.519 -6.841 5.360 1.00 0.60 H new ATOM 0 HA HIS B 16 -11.721 -8.522 4.842 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -9.430 -9.219 5.543 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -9.679 -8.470 7.108 1.00 0.77 H new ATOM 0 HD2 HIS B 16 -11.804 -11.234 5.165 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -11.229 -12.420 9.195 1.00 2.22 H new ATOM 0 HE2 HIS B 16 -12.263 -13.062 6.964 1.00 2.23 H new ATOM 1773 N GLN B 17 -12.136 -6.455 7.283 1.00 0.70 N ATOM 1774 CA GLN B 17 -13.066 -5.989 8.298 1.00 0.82 C ATOM 1775 C GLN B 17 -14.421 -5.629 7.693 1.00 0.93 C ATOM 1776 O GLN B 17 -15.445 -6.161 8.120 1.00 1.18 O ATOM 1777 CB GLN B 17 -12.485 -4.797 9.067 1.00 0.85 C ATOM 1778 CG GLN B 17 -13.448 -4.202 10.086 1.00 1.27 C ATOM 1779 CD GLN B 17 -13.948 -5.212 11.105 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -15.080 -5.117 11.579 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -13.111 -6.171 11.467 1.00 2.77 N ATOM 0 H GLN B 17 -11.379 -5.804 7.074 1.00 0.70 H new ATOM 0 HA GLN B 17 -13.222 -6.809 9.000 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -11.577 -5.114 9.580 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -12.197 -4.022 8.356 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -12.952 -3.384 10.609 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -14.302 -3.774 9.561 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -12.180 -6.219 11.053 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -13.397 -6.863 12.160 1.00 2.77 H new ATOM 1790 N TYR B 18 -14.453 -4.730 6.711 1.00 0.85 N ATOM 1791 CA TYR B 18 -15.735 -4.355 6.130 1.00 1.08 C ATOM 1792 C TYR B 18 -16.138 -5.338 5.039 1.00 1.34 C ATOM 1793 O TYR B 18 -17.238 -5.892 5.067 1.00 1.77 O ATOM 1794 CB TYR B 18 -15.728 -2.926 5.583 1.00 1.22 C ATOM 1795 CG TYR B 18 -17.125 -2.406 5.319 1.00 2.34 C ATOM 1796 CD1 TYR B 18 -17.899 -1.891 6.352 1.00 3.14 C ATOM 1797 CD2 TYR B 18 -17.682 -2.452 4.049 1.00 3.25 C ATOM 1798 CE1 TYR B 18 -19.182 -1.436 6.126 1.00 4.38 C ATOM 1799 CE2 TYR B 18 -18.969 -1.999 3.815 1.00 4.48 C ATOM 1800 CZ TYR B 18 -19.713 -1.493 4.856 1.00 4.93 C ATOM 1801 OH TYR B 18 -20.997 -1.042 4.627 1.00 6.25 O ATOM 0 H TYR B 18 -13.637 -4.264 6.314 1.00 0.85 H new ATOM 0 HA TYR B 18 -16.472 -4.392 6.932 1.00 1.08 H new ATOM 0 HB2 TYR B 18 -15.226 -2.269 6.294 1.00 1.22 H new ATOM 0 HB3 TYR B 18 -15.151 -2.896 4.659 1.00 1.22 H new ATOM 0 HD1 TYR B 18 -17.489 -1.846 7.350 1.00 3.14 H new ATOM 0 HD2 TYR B 18 -17.101 -2.848 3.229 1.00 3.25 H new ATOM 0 HE1 TYR B 18 -19.767 -1.037 6.941 1.00 4.38 H new ATOM 0 HE2 TYR B 18 -19.387 -2.043 2.820 1.00 4.48 H new ATOM 0 HH TYR B 18 -21.297 -0.507 5.391 1.00 6.25 H new ATOM 1811 N SER B 19 -15.252 -5.560 4.083 1.00 1.32 N ATOM 1812 CA SER B 19 -15.508 -6.524 3.030 1.00 1.78 C ATOM 1813 C SER B 19 -15.019 -7.906 3.456 1.00 1.86 C ATOM 1814 O SER B 19 -13.819 -8.138 3.602 1.00 2.32 O ATOM 1815 CB SER B 19 -14.842 -6.075 1.727 1.00 2.38 C ATOM 1816 OG SER B 19 -13.530 -5.592 1.961 1.00 3.02 O ATOM 0 H SER B 19 -14.351 -5.086 4.015 1.00 1.32 H new ATOM 0 HA SER B 19 -16.582 -6.585 2.853 1.00 1.78 H new ATOM 0 HB2 SER B 19 -14.805 -6.910 1.028 1.00 2.38 H new ATOM 0 HB3 SER B 19 -15.442 -5.294 1.259 1.00 2.38 H new ATOM 0 HG SER B 19 -13.171 -6.002 2.776 1.00 3.02 H new ATOM 1822 N VAL B 20 -15.961 -8.812 3.683 1.00 2.11 N ATOM 1823 CA VAL B 20 -15.632 -10.151 4.153 1.00 2.49 C ATOM 1824 C VAL B 20 -15.044 -10.993 3.027 1.00 2.64 C ATOM 1825 O VAL B 20 -14.896 -10.517 1.899 1.00 3.25 O ATOM 1826 CB VAL B 20 -16.866 -10.866 4.746 1.00 3.30 C ATOM 1827 CG1 VAL B 20 -17.404 -10.097 5.943 1.00 3.90 C ATOM 1828 CG2 VAL B 20 -17.952 -11.043 3.693 1.00 4.12 C ATOM 0 H VAL B 20 -16.958 -8.644 3.549 1.00 2.11 H new ATOM 0 HA VAL B 20 -14.888 -10.039 4.942 1.00 2.49 H new ATOM 0 HB VAL B 20 -16.555 -11.856 5.081 1.00 3.30 H new ATOM 0 HG11 VAL B 20 -18.273 -10.615 6.348 1.00 3.90 H new ATOM 0 HG12 VAL B 20 -16.632 -10.030 6.709 1.00 3.90 H new ATOM 0 HG13 VAL B 20 -17.693 -9.093 5.631 1.00 3.90 H new ATOM 0 HG21 VAL B 20 -18.810 -11.549 4.136 1.00 4.12 H new ATOM 0 HG22 VAL B 20 -18.260 -10.066 3.320 1.00 4.12 H new ATOM 0 HG23 VAL B 20 -17.565 -11.641 2.868 1.00 4.12 H new ATOM 1838 N ARG B 21 -14.707 -12.240 3.330 1.00 2.81 N ATOM 1839 CA ARG B 21 -14.148 -13.131 2.325 1.00 3.56 C ATOM 1840 C ARG B 21 -15.169 -13.403 1.223 1.00 3.97 C ATOM 1841 O ARG B 21 -16.377 -13.287 1.446 1.00 4.56 O ATOM 1842 CB ARG B 21 -13.670 -14.441 2.957 1.00 4.19 C ATOM 1843 CG ARG B 21 -14.768 -15.244 3.632 1.00 4.83 C ATOM 1844 CD ARG B 21 -14.203 -16.477 4.311 1.00 5.37 C ATOM 1845 NE ARG B 21 -15.239 -17.284 4.949 1.00 5.88 N ATOM 1846 CZ ARG B 21 -14.985 -18.344 5.715 1.00 6.57 C ATOM 1847 NH1 ARG B 21 -13.733 -18.704 5.961 1.00 6.84 N ATOM 1848 NH2 ARG B 21 -15.984 -19.039 6.237 1.00 7.28 N ATOM 0 H ARG B 21 -14.810 -12.654 4.257 1.00 2.81 H new ATOM 0 HA ARG B 21 -13.283 -12.639 1.879 1.00 3.56 H new ATOM 0 HB2 ARG B 21 -13.208 -15.056 2.185 1.00 4.19 H new ATOM 0 HB3 ARG B 21 -12.896 -14.216 3.691 1.00 4.19 H new ATOM 0 HG2 ARG B 21 -15.279 -14.622 4.367 1.00 4.83 H new ATOM 0 HG3 ARG B 21 -15.513 -15.541 2.893 1.00 4.83 H new ATOM 0 HD2 ARG B 21 -13.675 -17.084 3.576 1.00 5.37 H new ATOM 0 HD3 ARG B 21 -13.471 -16.173 5.059 1.00 5.37 H new ATOM 0 HE ARG B 21 -16.213 -17.021 4.800 1.00 5.88 H new ATOM 0 HH11 ARG B 21 -12.961 -18.169 5.563 1.00 6.84 H new ATOM 0 HH12 ARG B 21 -13.542 -19.516 6.548 1.00 6.84 H new ATOM 0 HH21 ARG B 21 -16.948 -18.763 6.053 1.00 7.28 H new ATOM 0 HH22 ARG B 21 -15.789 -19.851 6.823 1.00 7.28 H new ATOM 1862 N LYS B 22 -14.681 -13.754 0.045 1.00 4.14 N ATOM 1863 CA LYS B 22 -15.532 -13.893 -1.130 1.00 4.91 C ATOM 1864 C LYS B 22 -16.500 -15.066 -0.987 1.00 5.05 C ATOM 1865 O LYS B 22 -17.619 -14.898 -0.496 1.00 5.59 O ATOM 1866 CB LYS B 22 -14.659 -14.059 -2.373 1.00 5.69 C ATOM 1867 CG LYS B 22 -13.661 -12.925 -2.554 1.00 6.45 C ATOM 1868 CD LYS B 22 -12.666 -13.218 -3.663 1.00 7.33 C ATOM 1869 CE LYS B 22 -13.339 -13.291 -5.022 1.00 8.20 C ATOM 1870 NZ LYS B 22 -12.356 -13.524 -6.109 1.00 8.71 N ATOM 0 H LYS B 22 -13.695 -13.949 -0.126 1.00 4.14 H new ATOM 0 HA LYS B 22 -16.135 -12.990 -1.230 1.00 4.91 H new ATOM 0 HB2 LYS B 22 -14.119 -15.004 -2.308 1.00 5.69 H new ATOM 0 HB3 LYS B 22 -15.298 -14.117 -3.254 1.00 5.69 H new ATOM 0 HG2 LYS B 22 -14.196 -12.003 -2.781 1.00 6.45 H new ATOM 0 HG3 LYS B 22 -13.125 -12.761 -1.619 1.00 6.45 H new ATOM 0 HD2 LYS B 22 -11.900 -12.442 -3.678 1.00 7.33 H new ATOM 0 HD3 LYS B 22 -12.160 -14.161 -3.457 1.00 7.33 H new ATOM 0 HE2 LYS B 22 -14.077 -14.093 -5.020 1.00 8.20 H new ATOM 0 HE3 LYS B 22 -13.878 -12.363 -5.212 1.00 8.20 H new ATOM 0 HZ1 LYS B 22 -12.852 -13.568 -7.022 1.00 8.71 H new ATOM 0 HZ2 LYS B 22 -11.667 -12.745 -6.127 1.00 8.71 H new ATOM 0 HZ3 LYS B 22 -11.859 -14.422 -5.941 1.00 8.71 H new ATOM 1884 N GLY B 23 -16.069 -16.251 -1.406 1.00 4.89 N ATOM 1885 CA GLY B 23 -16.929 -17.421 -1.351 1.00 5.27 C ATOM 1886 C GLY B 23 -18.054 -17.356 -2.367 1.00 5.26 C ATOM 1887 O GLY B 23 -18.024 -18.040 -3.387 1.00 5.68 O ATOM 0 H GLY B 23 -15.137 -16.423 -1.784 1.00 4.89 H new ATOM 0 HA2 GLY B 23 -16.333 -18.316 -1.529 1.00 5.27 H new ATOM 0 HA3 GLY B 23 -17.351 -17.513 -0.350 1.00 5.27 H new ATOM 1891 N HIS B 24 -19.037 -16.516 -2.094 1.00 5.16 N ATOM 1892 CA HIS B 24 -20.171 -16.339 -2.985 1.00 5.45 C ATOM 1893 C HIS B 24 -20.369 -14.854 -3.247 1.00 5.00 C ATOM 1894 O HIS B 24 -19.989 -14.032 -2.413 1.00 5.43 O ATOM 1895 CB HIS B 24 -21.441 -16.954 -2.376 1.00 6.30 C ATOM 1896 CG HIS B 24 -22.011 -16.193 -1.212 1.00 6.93 C ATOM 1897 ND1 HIS B 24 -21.564 -16.346 0.082 1.00 7.56 N ATOM 1898 CD2 HIS B 24 -23.001 -15.268 -1.155 1.00 7.35 C ATOM 1899 CE1 HIS B 24 -22.250 -15.553 0.881 1.00 8.27 C ATOM 1900 NE2 HIS B 24 -23.127 -14.887 0.157 1.00 8.17 N ATOM 0 H HIS B 24 -19.072 -15.940 -1.253 1.00 5.16 H new ATOM 0 HA HIS B 24 -19.973 -16.850 -3.927 1.00 5.45 H new ATOM 0 HB2 HIS B 24 -22.202 -17.026 -3.153 1.00 6.30 H new ATOM 0 HB3 HIS B 24 -21.217 -17.971 -2.053 1.00 6.30 H new ATOM 0 HD2 HIS B 24 -23.582 -14.900 -1.988 1.00 7.35 H new ATOM 0 HE1 HIS B 24 -22.116 -15.464 1.949 1.00 8.27 H new ATOM 0 HE2 HIS B 24 -23.791 -14.200 0.514 1.00 8.17 H new ATOM 1909 N PHE B 25 -20.961 -14.520 -4.390 1.00 4.49 N ATOM 1910 CA PHE B 25 -21.182 -13.126 -4.770 1.00 4.32 C ATOM 1911 C PHE B 25 -19.845 -12.383 -4.785 1.00 3.72 C ATOM 1912 O PHE B 25 -19.610 -11.459 -4.000 1.00 3.96 O ATOM 1913 CB PHE B 25 -22.178 -12.464 -3.805 1.00 4.90 C ATOM 1914 CG PHE B 25 -22.719 -11.142 -4.282 1.00 5.62 C ATOM 1915 CD1 PHE B 25 -23.393 -11.049 -5.490 1.00 6.16 C ATOM 1916 CD2 PHE B 25 -22.568 -9.998 -3.515 1.00 6.16 C ATOM 1917 CE1 PHE B 25 -23.902 -9.840 -5.924 1.00 7.09 C ATOM 1918 CE2 PHE B 25 -23.074 -8.786 -3.944 1.00 7.10 C ATOM 1919 CZ PHE B 25 -23.742 -8.707 -5.151 1.00 7.50 C ATOM 0 H PHE B 25 -21.298 -15.198 -5.073 1.00 4.49 H new ATOM 0 HA PHE B 25 -21.612 -13.084 -5.771 1.00 4.32 H new ATOM 0 HB2 PHE B 25 -23.012 -13.146 -3.639 1.00 4.90 H new ATOM 0 HB3 PHE B 25 -21.689 -12.317 -2.842 1.00 4.90 H new ATOM 0 HD1 PHE B 25 -23.522 -11.932 -6.099 1.00 6.16 H new ATOM 0 HD2 PHE B 25 -22.048 -10.054 -2.570 1.00 6.16 H new ATOM 0 HE1 PHE B 25 -24.425 -9.781 -6.867 1.00 7.09 H new ATOM 0 HE2 PHE B 25 -22.948 -7.902 -3.337 1.00 7.10 H new ATOM 0 HZ PHE B 25 -24.138 -7.761 -5.489 1.00 7.50 H new ATOM 1929 N ASP B 26 -18.966 -12.823 -5.680 1.00 3.50 N ATOM 1930 CA ASP B 26 -17.601 -12.315 -5.754 1.00 3.49 C ATOM 1931 C ASP B 26 -17.571 -10.923 -6.372 1.00 3.06 C ATOM 1932 O ASP B 26 -17.369 -10.773 -7.579 1.00 3.62 O ATOM 1933 CB ASP B 26 -16.719 -13.252 -6.589 1.00 4.40 C ATOM 1934 CG ASP B 26 -16.750 -14.692 -6.118 1.00 5.10 C ATOM 1935 OD1 ASP B 26 -17.643 -15.444 -6.563 1.00 5.49 O ATOM 1936 OD2 ASP B 26 -15.869 -15.091 -5.332 1.00 5.62 O ATOM 0 H ASP B 26 -19.180 -13.540 -6.373 1.00 3.50 H new ATOM 0 HA ASP B 26 -17.215 -12.264 -4.736 1.00 3.49 H new ATOM 0 HB2 ASP B 26 -17.043 -13.211 -7.629 1.00 4.40 H new ATOM 0 HB3 ASP B 26 -15.691 -12.891 -6.561 1.00 4.40 H new ATOM 1941 N THR B 27 -17.785 -9.909 -5.547 1.00 2.56 N ATOM 1942 CA THR B 27 -17.732 -8.532 -6.006 1.00 2.53 C ATOM 1943 C THR B 27 -17.666 -7.559 -4.829 1.00 1.72 C ATOM 1944 O THR B 27 -18.580 -7.485 -4.006 1.00 2.30 O ATOM 1945 CB THR B 27 -18.939 -8.192 -6.920 1.00 3.34 C ATOM 1946 OG1 THR B 27 -18.923 -6.806 -7.288 1.00 3.84 O ATOM 1947 CG2 THR B 27 -20.265 -8.527 -6.253 1.00 3.95 C ATOM 0 H THR B 27 -17.997 -10.016 -4.555 1.00 2.56 H new ATOM 0 HA THR B 27 -16.820 -8.423 -6.594 1.00 2.53 H new ATOM 0 HB THR B 27 -18.843 -8.805 -7.816 1.00 3.34 H new ATOM 0 HG1 THR B 27 -19.691 -6.612 -7.865 1.00 3.84 H new ATOM 0 HG21 THR B 27 -21.085 -8.274 -6.925 1.00 3.95 H new ATOM 0 HG22 THR B 27 -20.298 -9.592 -6.025 1.00 3.95 H new ATOM 0 HG23 THR B 27 -20.363 -7.955 -5.330 1.00 3.95 H new ATOM 1955 N LEU B 28 -16.555 -6.844 -4.734 1.00 1.15 N ATOM 1956 CA LEU B 28 -16.411 -5.775 -3.760 1.00 0.90 C ATOM 1957 C LEU B 28 -16.614 -4.452 -4.481 1.00 0.71 C ATOM 1958 O LEU B 28 -15.914 -4.157 -5.444 1.00 0.76 O ATOM 1959 CB LEU B 28 -15.029 -5.802 -3.084 1.00 1.66 C ATOM 1960 CG LEU B 28 -14.662 -7.085 -2.317 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -15.821 -7.557 -1.452 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -14.213 -8.187 -3.268 1.00 2.37 C ATOM 0 H LEU B 28 -15.736 -6.987 -5.324 1.00 1.15 H new ATOM 0 HA LEU B 28 -17.154 -5.906 -2.973 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -14.272 -5.635 -3.850 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -14.972 -4.963 -2.391 1.00 1.66 H new ATOM 0 HG LEU B 28 -13.825 -6.848 -1.660 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -15.533 -8.465 -0.922 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -16.076 -6.781 -0.730 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -16.685 -7.764 -2.083 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -13.961 -9.080 -2.697 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -15.019 -8.418 -3.964 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -13.337 -7.853 -3.825 1.00 2.37 H new ATOM 1974 N SER B 29 -17.588 -3.672 -4.053 1.00 0.61 N ATOM 1975 CA SER B 29 -17.975 -2.493 -4.811 1.00 0.48 C ATOM 1976 C SER B 29 -17.478 -1.190 -4.176 1.00 0.44 C ATOM 1977 O SER B 29 -16.727 -1.210 -3.200 1.00 0.53 O ATOM 1978 CB SER B 29 -19.485 -2.463 -4.978 1.00 0.55 C ATOM 1979 OG SER B 29 -19.991 -3.763 -5.243 1.00 1.35 O ATOM 0 H SER B 29 -18.121 -3.828 -3.197 1.00 0.61 H new ATOM 0 HA SER B 29 -17.498 -2.563 -5.788 1.00 0.48 H new ATOM 0 HB2 SER B 29 -19.947 -2.066 -4.074 1.00 0.55 H new ATOM 0 HB3 SER B 29 -19.751 -1.791 -5.794 1.00 0.55 H new ATOM 0 HG SER B 29 -20.965 -3.720 -5.345 1.00 1.35 H new ATOM 1985 N LYS B 30 -17.916 -0.058 -4.730 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.472 1.253 -4.261 1.00 0.36 C ATOM 1987 C LYS B 30 -17.976 1.531 -2.850 1.00 0.36 C ATOM 1988 O LYS B 30 -17.280 2.148 -2.053 1.00 0.37 O ATOM 1989 CB LYS B 30 -17.963 2.358 -5.204 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.345 3.721 -4.914 1.00 0.41 C ATOM 1991 CD LYS B 30 -18.010 4.847 -5.698 1.00 0.50 C ATOM 1992 CE LYS B 30 -18.003 4.609 -7.205 1.00 0.52 C ATOM 1993 NZ LYS B 30 -19.251 3.946 -7.683 1.00 1.32 N ATOM 0 H LYS B 30 -18.579 -0.024 -5.505 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.382 1.246 -4.250 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -17.736 2.076 -6.232 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -19.048 2.435 -5.127 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -17.423 3.931 -3.847 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.283 3.693 -5.157 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -19.040 4.960 -5.358 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -17.498 5.785 -5.481 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -17.881 5.562 -7.720 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -17.144 3.992 -7.469 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -19.450 4.243 -8.660 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -19.129 2.914 -7.654 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -20.046 4.218 -7.070 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.186 1.069 -2.552 1.00 0.39 N ATOM 2008 CA GLY B 31 -19.793 1.321 -1.254 1.00 0.40 C ATOM 2009 C GLY B 31 -18.934 0.854 -0.092 1.00 0.38 C ATOM 2010 O GLY B 31 -18.762 1.573 0.894 1.00 0.39 O ATOM 0 H GLY B 31 -19.762 0.520 -3.190 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -19.984 2.389 -1.150 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -20.759 0.819 -1.208 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.374 -0.341 -0.218 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.547 -0.918 0.836 1.00 0.50 C ATOM 2016 C GLU B 32 -16.267 -0.114 1.017 1.00 0.42 C ATOM 2017 O GLU B 32 -15.817 0.122 2.142 1.00 0.44 O ATOM 2018 CB GLU B 32 -17.231 -2.373 0.497 1.00 0.67 C ATOM 2019 CG GLU B 32 -18.491 -3.217 0.359 1.00 0.96 C ATOM 2020 CD GLU B 32 -18.249 -4.571 -0.270 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -18.281 -4.661 -1.514 1.00 2.43 O ATOM 2022 OE2 GLU B 32 -18.067 -5.555 0.478 1.00 2.10 O ATOM 0 H GLU B 32 -18.477 -0.933 -1.042 1.00 0.44 H new ATOM 0 HA GLU B 32 -18.095 -0.885 1.778 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -16.665 -2.413 -0.434 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -16.596 -2.796 1.275 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -18.933 -3.358 1.345 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -19.219 -2.672 -0.242 1.00 0.96 H new ATOM 2029 N LEU B 33 -15.704 0.318 -0.101 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.545 1.190 -0.099 1.00 0.34 C ATOM 2031 C LEU B 33 -14.896 2.506 0.575 1.00 0.30 C ATOM 2032 O LEU B 33 -14.167 2.990 1.428 1.00 0.32 O ATOM 2033 CB LEU B 33 -14.101 1.439 -1.537 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.809 2.238 -1.697 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.630 1.479 -1.120 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.560 2.563 -3.157 1.00 0.46 C ATOM 0 H LEU B 33 -16.039 0.073 -1.033 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.731 0.719 0.452 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -13.976 0.476 -2.032 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -14.900 1.965 -2.060 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.920 3.172 -1.146 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.721 2.068 -1.246 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -11.800 1.295 -0.059 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -11.520 0.527 -1.640 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.635 3.132 -3.250 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -12.475 1.637 -3.726 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.390 3.153 -3.545 1.00 0.46 H new ATOM 2048 N LYS B 34 -16.043 3.050 0.195 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.523 4.326 0.702 1.00 0.31 C ATOM 2050 C LYS B 34 -16.613 4.326 2.226 1.00 0.35 C ATOM 2051 O LYS B 34 -16.183 5.279 2.873 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.881 4.636 0.068 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.580 5.868 0.625 1.00 0.53 C ATOM 2054 CD LYS B 34 -19.918 6.096 -0.060 1.00 0.85 C ATOM 2055 CE LYS B 34 -20.580 7.385 0.402 1.00 1.30 C ATOM 2056 NZ LYS B 34 -20.864 7.385 1.862 1.00 1.87 N ATOM 0 H LYS B 34 -16.672 2.614 -0.480 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.811 5.105 0.430 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.743 4.768 -1.005 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.534 3.774 0.202 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -18.733 5.749 1.698 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -17.945 6.743 0.489 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -19.772 6.130 -1.140 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -20.579 5.254 0.146 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -19.934 8.229 0.160 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -21.511 7.529 -0.146 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -21.405 8.238 2.110 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -21.418 6.540 2.108 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -19.968 7.377 2.390 1.00 1.87 H new ATOM 2070 N GLN B 35 -17.169 3.261 2.796 1.00 0.36 N ATOM 2071 CA GLN B 35 -17.185 3.106 4.248 1.00 0.43 C ATOM 2072 C GLN B 35 -15.774 3.142 4.795 1.00 0.43 C ATOM 2073 O GLN B 35 -15.430 4.047 5.550 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.878 1.810 4.664 1.00 0.50 C ATOM 2075 CG GLN B 35 -19.346 1.998 5.006 1.00 1.07 C ATOM 2076 CD GLN B 35 -20.168 2.479 3.831 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -20.297 3.683 3.603 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -20.748 1.547 3.096 1.00 2.06 N ATOM 0 H GLN B 35 -17.611 2.499 2.281 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.752 3.938 4.666 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -17.790 1.083 3.856 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.362 1.391 5.527 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -19.754 1.053 5.366 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -19.435 2.715 5.822 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -20.613 0.562 3.322 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -21.331 1.813 2.302 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.957 2.184 4.368 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.583 2.056 4.833 1.00 0.39 C ATOM 2089 C LEU B 36 -12.851 3.392 4.752 1.00 0.38 C ATOM 2090 O LEU B 36 -12.156 3.786 5.669 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.869 1.000 3.984 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.452 0.630 4.416 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -11.157 -0.803 4.018 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.427 1.563 3.785 1.00 0.40 C ATOM 0 H LEU B 36 -15.231 1.474 3.689 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.586 1.747 5.878 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.475 0.094 3.985 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.831 1.357 2.955 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.384 0.732 5.499 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -10.145 -1.066 4.327 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.869 -1.470 4.504 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -11.244 -0.905 2.936 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.426 1.277 4.109 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.490 1.492 2.699 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.629 2.588 4.094 1.00 0.40 H new ATOM 2106 N LEU B 37 -13.038 4.091 3.659 1.00 0.34 N ATOM 2107 CA LEU B 37 -12.356 5.350 3.430 1.00 0.35 C ATOM 2108 C LEU B 37 -12.834 6.445 4.373 1.00 0.41 C ATOM 2109 O LEU B 37 -12.028 7.103 5.030 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.573 5.777 1.990 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.960 4.837 0.956 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -12.242 5.321 -0.452 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.469 4.697 1.191 1.00 0.32 C ATOM 0 H LEU B 37 -13.663 3.809 2.904 1.00 0.34 H new ATOM 0 HA LEU B 37 -11.295 5.198 3.626 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.644 5.854 1.804 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -12.153 6.773 1.852 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.421 3.856 1.068 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -11.794 4.633 -1.170 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -13.319 5.363 -0.613 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -11.816 6.315 -0.587 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -10.045 4.024 0.446 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -9.994 5.675 1.108 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -10.294 4.292 2.188 1.00 0.32 H new ATOM 2125 N THR B 38 -14.142 6.627 4.447 1.00 0.45 N ATOM 2126 CA THR B 38 -14.719 7.703 5.233 1.00 0.53 C ATOM 2127 C THR B 38 -14.461 7.515 6.725 1.00 0.59 C ATOM 2128 O THR B 38 -14.396 8.487 7.478 1.00 0.67 O ATOM 2129 CB THR B 38 -16.238 7.824 4.989 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.870 6.546 5.150 1.00 1.23 O ATOM 2131 CG2 THR B 38 -16.524 8.353 3.596 1.00 1.03 C ATOM 0 H THR B 38 -14.826 6.040 3.970 1.00 0.45 H new ATOM 0 HA THR B 38 -14.231 8.621 4.908 1.00 0.53 H new ATOM 0 HB THR B 38 -16.639 8.525 5.721 1.00 0.56 H new ATOM 0 HG1 THR B 38 -16.908 6.089 4.284 1.00 1.23 H new ATOM 0 HG21 THR B 38 -17.601 8.429 3.450 1.00 1.03 H new ATOM 0 HG22 THR B 38 -16.072 9.338 3.481 1.00 1.03 H new ATOM 0 HG23 THR B 38 -16.104 7.673 2.855 1.00 1.03 H new ATOM 2139 N LYS B 39 -14.336 6.268 7.154 1.00 0.58 N ATOM 2140 CA LYS B 39 -14.130 5.978 8.565 1.00 0.67 C ATOM 2141 C LYS B 39 -12.655 5.763 8.912 1.00 0.65 C ATOM 2142 O LYS B 39 -12.187 6.232 9.949 1.00 0.72 O ATOM 2143 CB LYS B 39 -14.968 4.771 8.997 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.640 3.497 8.247 1.00 0.68 C ATOM 2145 CD LYS B 39 -15.758 2.472 8.348 1.00 0.74 C ATOM 2146 CE LYS B 39 -15.934 1.994 9.779 1.00 0.87 C ATOM 2147 NZ LYS B 39 -17.069 1.047 9.919 1.00 1.62 N ATOM 0 H LYS B 39 -14.373 5.446 6.551 1.00 0.58 H new ATOM 0 HA LYS B 39 -14.461 6.856 9.120 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.820 4.601 10.064 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -16.023 5.004 8.854 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -14.456 3.731 7.198 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -13.719 3.069 8.644 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.690 2.909 7.990 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -15.536 1.622 7.702 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -15.016 1.511 10.114 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -16.098 2.853 10.430 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -17.151 0.748 10.912 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -17.950 1.515 9.625 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -16.902 0.214 9.319 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.917 5.078 8.048 1.00 0.57 N ATOM 2162 CA GLU B 40 -10.566 4.641 8.388 1.00 0.58 C ATOM 2163 C GLU B 40 -9.520 5.655 7.943 1.00 0.56 C ATOM 2164 O GLU B 40 -8.628 6.022 8.709 1.00 0.64 O ATOM 2165 CB GLU B 40 -10.265 3.268 7.765 1.00 0.58 C ATOM 2166 CG GLU B 40 -11.211 2.164 8.212 1.00 0.88 C ATOM 2167 CD GLU B 40 -11.269 1.995 9.722 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -12.091 2.678 10.376 1.00 1.67 O ATOM 2169 OE2 GLU B 40 -10.503 1.167 10.259 1.00 1.63 O ATOM 0 H GLU B 40 -12.227 4.814 7.113 1.00 0.57 H new ATOM 0 HA GLU B 40 -10.516 4.557 9.474 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -10.312 3.355 6.680 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -9.244 2.982 8.018 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -12.212 2.380 7.839 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -10.899 1.223 7.760 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.641 6.131 6.714 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.636 7.020 6.152 1.00 0.49 C ATOM 2178 C LEU B 41 -9.143 8.453 6.178 1.00 0.53 C ATOM 2179 O LEU B 41 -8.681 9.309 5.418 1.00 0.53 O ATOM 2180 CB LEU B 41 -8.278 6.600 4.721 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.992 5.104 4.532 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -7.473 4.832 3.130 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -7.005 4.598 5.577 1.00 1.42 C ATOM 0 H LEU B 41 -10.419 5.919 6.090 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.732 6.954 6.757 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -9.097 6.883 4.060 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.402 7.164 4.402 1.00 0.43 H new ATOM 0 HG LEU B 41 -8.929 4.563 4.665 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.276 3.766 3.015 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.219 5.144 2.399 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -6.551 5.391 2.969 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.821 3.535 5.419 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -6.067 5.146 5.487 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -7.420 4.750 6.573 1.00 1.42 H new ATOM 2195 N ALA B 42 -10.089 8.695 7.084 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.732 9.997 7.236 1.00 0.64 C ATOM 2197 C ALA B 42 -9.719 11.106 7.486 1.00 0.71 C ATOM 2198 O ALA B 42 -9.925 12.255 7.095 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.732 9.948 8.377 1.00 0.71 C ATOM 0 H ALA B 42 -10.432 7.989 7.736 1.00 0.58 H new ATOM 0 HA ALA B 42 -11.246 10.222 6.302 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -12.208 10.922 8.485 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -12.491 9.195 8.164 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -11.216 9.691 9.302 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.619 10.750 8.125 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.615 11.728 8.513 1.00 0.83 C ATOM 2207 C ASN B 43 -6.335 11.543 7.697 1.00 0.83 C ATOM 2208 O ASN B 43 -5.244 11.899 8.137 1.00 1.07 O ATOM 2209 CB ASN B 43 -7.321 11.600 10.013 1.00 1.00 C ATOM 2210 CG ASN B 43 -6.706 12.857 10.611 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -7.422 13.771 11.022 1.00 1.56 O ATOM 2212 ND2 ASN B 43 -5.385 12.912 10.679 1.00 2.16 N ATOM 0 H ASN B 43 -8.397 9.790 8.387 1.00 0.74 H new ATOM 0 HA ASN B 43 -8.001 12.727 8.311 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -8.247 11.370 10.540 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -6.645 10.760 10.174 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -4.929 13.730 11.082 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -4.824 12.136 10.329 1.00 2.16 H new ATOM 2219 N THR B 44 -6.458 10.965 6.513 1.00 0.65 N ATOM 2220 CA THR B 44 -5.305 10.790 5.648 1.00 0.61 C ATOM 2221 C THR B 44 -5.517 11.509 4.327 1.00 0.59 C ATOM 2222 O THR B 44 -4.851 12.498 4.024 1.00 0.66 O ATOM 2223 CB THR B 44 -5.026 9.304 5.372 1.00 0.55 C ATOM 2224 OG1 THR B 44 -5.057 8.570 6.601 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.670 9.130 4.700 1.00 0.52 C ATOM 0 H THR B 44 -7.336 10.612 6.132 1.00 0.65 H new ATOM 0 HA THR B 44 -4.446 11.216 6.166 1.00 0.61 H new ATOM 0 HB THR B 44 -5.797 8.922 4.702 1.00 0.55 H new ATOM 0 HG1 THR B 44 -5.505 7.710 6.457 1.00 0.65 H new ATOM 0 HG21 THR B 44 -3.490 8.071 4.512 1.00 0.52 H new ATOM 0 HG22 THR B 44 -3.660 9.673 3.755 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.888 9.521 5.351 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.481 11.019 3.571 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.733 11.501 2.227 1.00 0.51 C ATOM 2235 C ILE B 45 -7.608 12.756 2.263 1.00 0.59 C ATOM 2236 O ILE B 45 -8.558 12.830 3.047 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.428 10.399 1.406 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.606 9.100 1.450 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.646 10.854 -0.032 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.220 7.964 0.661 1.00 0.35 C ATOM 0 H ILE B 45 -7.111 10.276 3.872 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.782 11.756 1.760 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.405 10.203 1.848 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.606 9.300 1.064 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.490 8.789 2.488 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.138 10.060 -0.594 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.272 11.746 -0.040 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -6.684 11.081 -0.492 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.585 7.082 0.739 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.208 7.736 1.061 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.310 8.255 -0.386 1.00 0.35 H new ATOM 2252 N LYS B 46 -7.265 13.748 1.433 1.00 0.67 N ATOM 2253 CA LYS B 46 -8.006 15.002 1.384 1.00 0.74 C ATOM 2254 C LYS B 46 -9.457 14.752 1.032 1.00 0.68 C ATOM 2255 O LYS B 46 -9.756 14.075 0.046 1.00 0.63 O ATOM 2256 CB LYS B 46 -7.386 15.988 0.374 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.704 15.722 -1.098 1.00 0.79 C ATOM 2258 CD LYS B 46 -8.916 16.531 -1.555 1.00 0.75 C ATOM 2259 CE LYS B 46 -9.256 16.256 -3.010 1.00 0.88 C ATOM 2260 NZ LYS B 46 -10.372 17.115 -3.492 1.00 1.61 N ATOM 0 H LYS B 46 -6.477 13.701 0.787 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.950 15.450 2.376 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.724 16.994 0.623 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -6.303 15.975 0.500 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -6.840 15.978 -1.712 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -7.896 14.659 -1.245 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.774 16.288 -0.928 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.716 17.594 -1.422 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -8.374 16.427 -3.627 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -9.529 15.207 -3.127 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -10.573 16.896 -4.489 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -11.221 16.934 -2.920 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -10.103 18.116 -3.405 1.00 1.61 H new ATOM 2274 N ASN B 47 -10.346 15.281 1.861 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.777 15.215 1.609 1.00 0.67 C ATOM 2276 C ASN B 47 -12.198 13.801 1.255 1.00 0.59 C ATOM 2277 O ASN B 47 -13.036 13.596 0.381 1.00 0.57 O ATOM 2278 CB ASN B 47 -12.174 16.170 0.481 1.00 0.69 C ATOM 2279 CG ASN B 47 -12.027 17.634 0.850 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -11.177 18.007 1.661 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -12.848 18.478 0.249 1.00 1.24 N ATOM 0 H ASN B 47 -10.096 15.766 2.723 1.00 0.71 H new ATOM 0 HA ASN B 47 -12.289 15.516 2.523 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.560 15.961 -0.395 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -13.209 15.976 0.199 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -12.791 19.476 0.451 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -13.539 18.131 -0.417 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.612 12.824 1.942 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.924 11.415 1.713 1.00 0.48 C ATOM 2290 C ILE B 48 -13.384 11.142 2.053 1.00 0.48 C ATOM 2291 O ILE B 48 -13.930 10.073 1.791 1.00 0.44 O ATOM 2292 CB ILE B 48 -11.010 10.509 2.561 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.189 9.039 2.184 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.283 10.712 4.039 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -10.918 8.758 0.725 1.00 0.38 C ATOM 0 H ILE B 48 -10.913 12.984 2.667 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.752 11.192 0.660 1.00 0.48 H new ATOM 0 HB ILE B 48 -9.977 10.788 2.355 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.521 8.431 2.794 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.207 8.731 2.423 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.629 10.064 4.622 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -11.094 11.752 4.304 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.323 10.466 4.254 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -11.063 7.696 0.526 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.604 9.340 0.109 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -9.891 9.035 0.486 1.00 0.38 H new ATOM 2307 N LYS B 49 -14.002 12.147 2.631 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.392 12.089 3.003 1.00 0.57 C ATOM 2309 C LYS B 49 -16.264 12.402 1.800 1.00 0.55 C ATOM 2310 O LYS B 49 -17.477 12.189 1.821 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.657 13.086 4.120 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.705 12.938 5.292 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.767 11.543 5.890 1.00 0.72 C ATOM 2314 CE LYS B 49 -16.103 11.265 6.566 1.00 0.83 C ATOM 2315 NZ LYS B 49 -16.416 12.252 7.637 1.00 1.11 N ATOM 0 H LYS B 49 -13.549 13.032 2.856 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.633 11.086 3.354 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.578 14.098 3.722 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.680 12.962 4.474 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.687 13.149 4.964 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.952 13.674 6.057 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -14.599 10.805 5.105 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.963 11.425 6.616 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -16.896 11.282 5.818 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -16.089 10.262 6.993 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -17.177 11.880 8.240 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -15.567 12.419 8.214 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -16.722 13.147 7.205 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.634 12.901 0.745 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.360 13.305 -0.444 1.00 0.56 C ATOM 2331 C ASP B 50 -16.468 12.159 -1.415 1.00 0.50 C ATOM 2332 O ASP B 50 -15.493 11.468 -1.704 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.702 14.491 -1.145 1.00 0.62 C ATOM 2334 CG ASP B 50 -16.721 15.349 -1.859 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -17.195 14.946 -2.939 1.00 1.59 O ATOM 2336 OD2 ASP B 50 -17.061 16.432 -1.335 1.00 1.56 O ATOM 0 H ASP B 50 -14.624 13.034 0.691 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.354 13.609 -0.115 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -15.165 15.095 -0.413 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -14.965 14.128 -1.861 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.672 11.979 -1.919 1.00 0.50 N ATOM 2342 CA LYS B 51 -17.957 10.956 -2.898 1.00 0.48 C ATOM 2343 C LYS B 51 -17.167 11.197 -4.170 1.00 0.49 C ATOM 2344 O LYS B 51 -16.856 10.263 -4.894 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.444 10.961 -3.201 1.00 0.53 C ATOM 2346 CG LYS B 51 -19.858 10.007 -4.304 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.501 8.572 -3.968 1.00 0.60 C ATOM 2348 CE LYS B 51 -19.841 7.647 -5.119 1.00 0.83 C ATOM 2349 NZ LYS B 51 -21.283 7.706 -5.476 1.00 0.92 N ATOM 0 H LYS B 51 -18.482 12.542 -1.658 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.665 9.986 -2.496 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -19.989 10.706 -2.292 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -19.743 11.972 -3.479 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -20.933 10.086 -4.469 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -19.371 10.295 -5.236 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -18.437 8.501 -3.741 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -20.039 8.259 -3.073 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.241 7.915 -5.989 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -19.575 6.624 -4.852 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -21.510 6.932 -6.133 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -21.858 7.609 -4.615 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -21.491 8.618 -5.930 1.00 0.92 H new ATOM 2363 N ALA B 52 -16.837 12.453 -4.431 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.053 12.798 -5.601 1.00 0.60 C ATOM 2365 C ALA B 52 -14.638 12.305 -5.422 1.00 0.57 C ATOM 2366 O ALA B 52 -13.994 11.843 -6.360 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.047 14.298 -5.802 1.00 0.67 C ATOM 0 H ALA B 52 -17.101 13.247 -3.848 1.00 0.55 H new ATOM 0 HA ALA B 52 -16.497 12.326 -6.478 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -15.455 14.545 -6.683 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.069 14.651 -5.941 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -15.613 14.781 -4.927 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.181 12.381 -4.187 1.00 0.54 N ATOM 2374 CA VAL B 53 -12.828 11.985 -3.853 1.00 0.53 C ATOM 2375 C VAL B 53 -12.743 10.471 -3.806 1.00 0.47 C ATOM 2376 O VAL B 53 -11.800 9.866 -4.316 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.389 12.607 -2.508 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.150 11.929 -1.937 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.135 14.094 -2.678 1.00 0.60 C ATOM 0 H VAL B 53 -14.731 12.715 -3.395 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.148 12.354 -4.621 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.202 12.453 -1.799 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -10.880 12.401 -0.992 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.358 10.872 -1.769 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.324 12.028 -2.641 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -11.826 14.522 -1.724 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.347 14.247 -3.416 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.049 14.583 -3.016 1.00 0.60 H new ATOM 2389 N ILE B 54 -13.760 9.873 -3.214 1.00 0.42 N ATOM 2390 CA ILE B 54 -13.894 8.427 -3.191 1.00 0.36 C ATOM 2391 C ILE B 54 -14.022 7.866 -4.597 1.00 0.38 C ATOM 2392 O ILE B 54 -13.458 6.822 -4.915 1.00 0.38 O ATOM 2393 CB ILE B 54 -15.111 8.033 -2.367 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -14.838 8.421 -0.924 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.420 6.541 -2.503 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -15.940 8.044 0.024 1.00 0.38 C ATOM 0 H ILE B 54 -14.512 10.371 -2.738 1.00 0.42 H new ATOM 0 HA ILE B 54 -12.995 8.010 -2.737 1.00 0.36 H new ATOM 0 HB ILE B 54 -15.995 8.557 -2.730 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -13.913 7.945 -0.598 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -14.678 9.498 -0.871 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -16.295 6.294 -1.902 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.620 6.305 -3.548 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.566 5.959 -2.156 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.672 8.353 1.034 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -16.863 8.541 -0.275 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -16.085 6.964 0.002 1.00 0.38 H new ATOM 2408 N ASP B 55 -14.766 8.574 -5.426 1.00 0.43 N ATOM 2409 CA ASP B 55 -14.939 8.204 -6.817 1.00 0.47 C ATOM 2410 C ASP B 55 -13.602 8.203 -7.505 1.00 0.48 C ATOM 2411 O ASP B 55 -13.201 7.211 -8.080 1.00 0.49 O ATOM 2412 CB ASP B 55 -15.867 9.190 -7.504 1.00 0.54 C ATOM 2413 CG ASP B 55 -15.948 8.991 -9.000 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -16.694 8.092 -9.444 1.00 1.43 O ATOM 2415 OD2 ASP B 55 -15.283 9.745 -9.741 1.00 1.53 O ATOM 0 H ASP B 55 -15.266 9.420 -5.154 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.377 7.207 -6.872 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -16.866 9.096 -7.077 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -15.526 10.204 -7.297 1.00 0.54 H new ATOM 2420 N GLU B 56 -12.914 9.322 -7.400 1.00 0.51 N ATOM 2421 CA GLU B 56 -11.572 9.469 -7.930 1.00 0.53 C ATOM 2422 C GLU B 56 -10.696 8.267 -7.576 1.00 0.47 C ATOM 2423 O GLU B 56 -10.001 7.713 -8.434 1.00 0.49 O ATOM 2424 CB GLU B 56 -10.965 10.744 -7.359 1.00 0.58 C ATOM 2425 CG GLU B 56 -11.353 12.005 -8.109 1.00 0.69 C ATOM 2426 CD GLU B 56 -10.971 11.954 -9.573 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -9.762 12.031 -9.879 1.00 1.66 O ATOM 2428 OE2 GLU B 56 -11.880 11.847 -10.425 1.00 1.77 O ATOM 0 H GLU B 56 -13.272 10.160 -6.942 1.00 0.51 H new ATOM 0 HA GLU B 56 -11.624 9.525 -9.017 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.271 10.845 -6.318 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -9.879 10.651 -7.364 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -12.429 12.157 -8.023 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -10.871 12.864 -7.642 1.00 0.69 H new ATOM 2435 N ILE B 57 -10.754 7.849 -6.318 1.00 0.42 N ATOM 2436 CA ILE B 57 -9.961 6.728 -5.861 1.00 0.39 C ATOM 2437 C ILE B 57 -10.458 5.424 -6.466 1.00 0.36 C ATOM 2438 O ILE B 57 -9.710 4.719 -7.135 1.00 0.37 O ATOM 2439 CB ILE B 57 -10.013 6.613 -4.337 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.502 7.900 -3.693 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -9.206 5.417 -3.870 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.465 7.851 -2.186 1.00 1.00 C ATOM 0 H ILE B 57 -11.343 8.272 -5.601 1.00 0.42 H new ATOM 0 HA ILE B 57 -8.934 6.906 -6.181 1.00 0.39 H new ATOM 0 HB ILE B 57 -11.048 6.464 -4.030 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -8.499 8.109 -4.066 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -10.137 8.729 -4.005 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -9.253 5.349 -2.783 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -9.616 4.507 -4.309 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -8.168 5.534 -4.182 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -9.092 8.800 -1.800 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -10.470 7.674 -1.803 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -8.807 7.044 -1.864 1.00 1.00 H new ATOM 2454 N PHE B 58 -11.730 5.123 -6.233 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.324 3.874 -6.686 1.00 0.36 C ATOM 2456 C PHE B 58 -12.156 3.704 -8.184 1.00 0.41 C ATOM 2457 O PHE B 58 -11.791 2.636 -8.655 1.00 0.44 O ATOM 2458 CB PHE B 58 -13.808 3.824 -6.329 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.477 2.569 -6.802 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.334 1.387 -6.097 1.00 1.11 C ATOM 2461 CD2 PHE B 58 -15.239 2.572 -7.956 1.00 1.52 C ATOM 2462 CE1 PHE B 58 -14.940 0.229 -6.537 1.00 1.16 C ATOM 2463 CE2 PHE B 58 -15.847 1.420 -8.399 1.00 1.67 C ATOM 2464 CZ PHE B 58 -15.697 0.245 -7.688 1.00 0.93 C ATOM 0 H PHE B 58 -12.373 5.733 -5.729 1.00 0.35 H new ATOM 0 HA PHE B 58 -11.807 3.059 -6.180 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -13.920 3.905 -5.248 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.312 4.686 -6.767 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -13.742 1.371 -5.194 1.00 1.11 H new ATOM 0 HD2 PHE B 58 -15.358 3.488 -8.515 1.00 1.52 H new ATOM 0 HE1 PHE B 58 -14.821 -0.689 -5.980 1.00 1.16 H new ATOM 0 HE2 PHE B 58 -16.441 1.434 -9.301 1.00 1.67 H new ATOM 0 HZ PHE B 58 -16.173 -0.661 -8.034 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.414 4.773 -8.916 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.274 4.776 -10.362 1.00 0.52 C ATOM 2476 C GLN B 59 -10.823 4.506 -10.749 1.00 0.52 C ATOM 2477 O GLN B 59 -10.539 3.962 -11.817 1.00 0.57 O ATOM 2478 CB GLN B 59 -12.720 6.123 -10.939 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.189 6.471 -10.704 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.148 5.390 -11.160 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -14.855 4.618 -12.077 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -16.317 5.355 -10.544 1.00 1.63 N ATOM 0 H GLN B 59 -12.726 5.662 -8.526 1.00 0.45 H new ATOM 0 HA GLN B 59 -12.907 3.989 -10.772 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.102 6.909 -10.506 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -12.529 6.123 -12.012 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -14.344 6.658 -9.641 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -14.423 7.398 -11.228 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -16.516 6.013 -9.790 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -17.020 4.670 -10.822 1.00 1.63 H new ATOM 2491 N GLY B 60 -9.909 4.903 -9.871 1.00 0.48 N ATOM 2492 CA GLY B 60 -8.501 4.649 -10.090 1.00 0.49 C ATOM 2493 C GLY B 60 -8.107 3.205 -9.822 1.00 0.47 C ATOM 2494 O GLY B 60 -7.089 2.735 -10.333 1.00 0.53 O ATOM 0 H GLY B 60 -10.122 5.400 -9.006 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.248 4.903 -11.119 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -7.915 5.305 -9.446 1.00 0.49 H new ATOM 2498 N LEU B 61 -8.898 2.495 -9.021 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.605 1.102 -8.709 1.00 0.44 C ATOM 2500 C LEU B 61 -9.409 0.192 -9.618 1.00 0.51 C ATOM 2501 O LEU B 61 -8.893 -0.805 -10.107 1.00 0.59 O ATOM 2502 CB LEU B 61 -8.927 0.764 -7.247 1.00 0.39 C ATOM 2503 CG LEU B 61 -9.021 1.948 -6.287 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.562 1.489 -4.945 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.661 2.610 -6.110 1.00 0.35 C ATOM 0 H LEU B 61 -9.742 2.860 -8.579 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.538 0.948 -8.867 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -9.874 0.225 -7.220 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.162 0.082 -6.876 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.705 2.683 -6.712 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.625 2.341 -4.268 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.554 1.059 -5.081 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -8.896 0.737 -4.522 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.752 3.451 -5.422 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -6.954 1.886 -5.706 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.302 2.968 -7.075 1.00 0.35 H new ATOM 2517 N ASP B 62 -10.674 0.561 -9.833 1.00 0.51 N ATOM 2518 CA ASP B 62 -11.604 -0.211 -10.659 1.00 0.59 C ATOM 2519 C ASP B 62 -11.160 -0.210 -12.118 1.00 0.70 C ATOM 2520 O ASP B 62 -11.690 0.517 -12.961 1.00 0.75 O ATOM 2521 CB ASP B 62 -13.029 0.349 -10.519 1.00 0.57 C ATOM 2522 CG ASP B 62 -14.044 -0.309 -11.447 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -14.265 -1.534 -11.343 1.00 1.11 O ATOM 2524 OD2 ASP B 62 -14.638 0.407 -12.280 1.00 1.40 O ATOM 0 H ASP B 62 -11.083 1.407 -9.437 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.603 -1.244 -10.310 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -13.359 0.223 -9.488 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.009 1.420 -10.719 1.00 0.57 H new ATOM 2529 N ALA B 63 -10.152 -1.011 -12.391 1.00 0.78 N ATOM 2530 CA ALA B 63 -9.646 -1.197 -13.736 1.00 0.94 C ATOM 2531 C ALA B 63 -10.533 -2.180 -14.476 1.00 1.12 C ATOM 2532 O ALA B 63 -10.504 -2.279 -15.703 1.00 1.31 O ATOM 2533 CB ALA B 63 -8.210 -1.688 -13.689 1.00 1.00 C ATOM 0 H ALA B 63 -9.658 -1.554 -11.683 1.00 0.78 H new ATOM 0 HA ALA B 63 -9.659 -0.246 -14.268 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -7.839 -1.825 -14.705 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -7.591 -0.954 -13.172 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -8.168 -2.638 -13.156 1.00 1.00 H new ATOM 2539 N ASN B 64 -11.330 -2.902 -13.703 1.00 1.10 N ATOM 2540 CA ASN B 64 -12.282 -3.855 -14.245 1.00 1.28 C ATOM 2541 C ASN B 64 -13.445 -3.116 -14.904 1.00 1.22 C ATOM 2542 O ASN B 64 -14.163 -3.663 -15.742 1.00 1.37 O ATOM 2543 CB ASN B 64 -12.791 -4.762 -13.121 1.00 1.34 C ATOM 2544 CG ASN B 64 -13.741 -5.849 -13.591 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -14.680 -6.207 -12.884 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -13.496 -6.403 -14.768 1.00 2.80 N ATOM 0 H ASN B 64 -11.334 -2.843 -12.685 1.00 1.10 H new ATOM 0 HA ASN B 64 -11.792 -4.468 -15.001 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -11.937 -5.227 -12.628 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -13.296 -4.150 -12.374 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -14.096 -7.152 -15.114 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -12.707 -6.081 -15.329 1.00 2.80 H new ATOM 2553 N GLN B 65 -13.598 -1.849 -14.505 1.00 1.04 N ATOM 2554 CA GLN B 65 -14.563 -0.926 -15.098 1.00 1.06 C ATOM 2555 C GLN B 65 -15.987 -1.441 -14.959 1.00 1.04 C ATOM 2556 O GLN B 65 -16.829 -1.212 -15.827 1.00 1.17 O ATOM 2557 CB GLN B 65 -14.229 -0.669 -16.569 1.00 1.32 C ATOM 2558 CG GLN B 65 -12.862 -0.037 -16.778 1.00 1.38 C ATOM 2559 CD GLN B 65 -12.549 0.204 -18.239 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -12.842 1.268 -18.783 1.00 2.72 O ATOM 2561 NE2 GLN B 65 -11.958 -0.785 -18.887 1.00 2.58 N ATOM 0 H GLN B 65 -13.048 -1.434 -13.753 1.00 1.04 H new ATOM 0 HA GLN B 65 -14.495 0.016 -14.553 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -14.272 -1.612 -17.113 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -14.991 -0.018 -16.998 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -12.818 0.910 -16.240 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -12.097 -0.684 -16.348 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -11.732 -1.651 -18.399 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -11.728 -0.682 -19.875 1.00 2.58 H new ATOM 2570 N ASP B 66 -16.257 -2.118 -13.854 1.00 0.93 N ATOM 2571 CA ASP B 66 -17.573 -2.701 -13.616 1.00 0.95 C ATOM 2572 C ASP B 66 -18.008 -2.416 -12.184 1.00 0.81 C ATOM 2573 O ASP B 66 -18.931 -3.036 -11.652 1.00 0.82 O ATOM 2574 CB ASP B 66 -17.534 -4.210 -13.881 1.00 1.06 C ATOM 2575 CG ASP B 66 -18.911 -4.847 -13.893 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -19.688 -4.581 -14.833 1.00 1.88 O ATOM 2577 OD2 ASP B 66 -19.215 -5.636 -12.975 1.00 2.14 O ATOM 0 H ASP B 66 -15.583 -2.279 -13.105 1.00 0.93 H new ATOM 0 HA ASP B 66 -18.297 -2.252 -14.297 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -17.047 -4.392 -14.839 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -16.924 -4.692 -13.117 1.00 1.06 H new ATOM 2582 N GLU B 67 -17.329 -1.448 -11.581 1.00 0.73 N ATOM 2583 CA GLU B 67 -17.520 -1.098 -10.182 1.00 0.63 C ATOM 2584 C GLU B 67 -17.189 -2.292 -9.295 1.00 0.58 C ATOM 2585 O GLU B 67 -17.992 -2.721 -8.460 1.00 0.61 O ATOM 2586 CB GLU B 67 -18.939 -0.587 -9.900 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.092 0.002 -8.504 1.00 0.97 C ATOM 2588 CD GLU B 67 -20.515 0.376 -8.168 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -21.285 -0.517 -7.760 1.00 2.01 O ATOM 2590 OE2 GLU B 67 -20.860 1.568 -8.278 1.00 2.00 O ATOM 0 H GLU B 67 -16.626 -0.881 -12.054 1.00 0.73 H new ATOM 0 HA GLU B 67 -16.838 -0.280 -9.950 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -19.200 0.171 -10.639 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -19.646 -1.408 -10.022 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -18.730 -0.719 -7.771 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -18.461 0.887 -8.419 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.003 -2.836 -9.495 1.00 0.62 N ATOM 2598 CA GLN B 68 -15.517 -3.921 -8.667 1.00 0.66 C ATOM 2599 C GLN B 68 -14.080 -3.658 -8.269 1.00 0.66 C ATOM 2600 O GLN B 68 -13.195 -3.603 -9.118 1.00 0.78 O ATOM 2601 CB GLN B 68 -15.606 -5.265 -9.396 1.00 0.86 C ATOM 2602 CG GLN B 68 -17.024 -5.714 -9.700 1.00 1.38 C ATOM 2603 CD GLN B 68 -17.092 -7.148 -10.195 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -18.078 -7.851 -9.967 1.00 2.16 O ATOM 2605 NE2 GLN B 68 -16.056 -7.592 -10.886 1.00 2.07 N ATOM 0 H GLN B 68 -15.357 -2.542 -10.227 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.146 -3.972 -7.778 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -15.050 -5.196 -10.331 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -15.117 -6.028 -8.790 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -17.632 -5.615 -8.801 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -17.456 -5.054 -10.452 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -15.257 -6.982 -11.055 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -16.056 -8.545 -11.250 1.00 2.07 H new ATOM 2614 N VAL B 69 -13.854 -3.498 -6.981 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.514 -3.320 -6.467 1.00 0.64 C ATOM 2616 C VAL B 69 -12.013 -4.615 -5.819 1.00 0.64 C ATOM 2617 O VAL B 69 -12.503 -5.043 -4.775 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.449 -2.130 -5.473 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -13.480 -2.269 -4.362 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -11.053 -1.982 -4.894 1.00 1.22 C ATOM 0 H VAL B 69 -14.585 -3.488 -6.270 1.00 0.59 H new ATOM 0 HA VAL B 69 -11.856 -3.082 -7.303 1.00 0.64 H new ATOM 0 HB VAL B 69 -12.687 -1.225 -6.033 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -13.404 -1.417 -3.686 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -14.480 -2.300 -4.795 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -13.296 -3.189 -3.808 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -11.034 -1.141 -4.201 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -10.780 -2.895 -4.365 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -10.342 -1.803 -5.700 1.00 1.22 H new ATOM 2630 N ASP B 70 -11.076 -5.269 -6.488 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.435 -6.468 -5.952 1.00 0.73 C ATOM 2632 C ASP B 70 -9.445 -6.070 -4.865 1.00 0.64 C ATOM 2633 O ASP B 70 -9.126 -4.897 -4.733 1.00 0.56 O ATOM 2634 CB ASP B 70 -9.713 -7.225 -7.079 1.00 0.84 C ATOM 2635 CG ASP B 70 -8.978 -8.467 -6.611 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -9.602 -9.542 -6.540 1.00 1.98 O ATOM 2637 OD2 ASP B 70 -7.769 -8.372 -6.316 1.00 2.02 O ATOM 0 H ASP B 70 -10.738 -4.990 -7.409 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.192 -7.124 -5.523 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -10.442 -7.510 -7.837 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -9.002 -6.552 -7.558 1.00 0.84 H new ATOM 2642 N PHE B 71 -8.952 -7.028 -4.097 1.00 0.70 N ATOM 2643 CA PHE B 71 -7.956 -6.744 -3.071 1.00 0.67 C ATOM 2644 C PHE B 71 -6.676 -6.181 -3.693 1.00 0.56 C ATOM 2645 O PHE B 71 -5.925 -5.453 -3.050 1.00 0.48 O ATOM 2646 CB PHE B 71 -7.658 -8.006 -2.271 1.00 0.83 C ATOM 2647 CG PHE B 71 -8.836 -8.483 -1.468 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -9.054 -8.005 -0.186 1.00 1.93 C ATOM 2649 CD2 PHE B 71 -9.729 -9.402 -1.998 1.00 1.50 C ATOM 2650 CE1 PHE B 71 -10.140 -8.435 0.553 1.00 2.18 C ATOM 2651 CE2 PHE B 71 -10.815 -9.837 -1.264 1.00 1.76 C ATOM 2652 CZ PHE B 71 -11.022 -9.352 0.014 1.00 1.77 C ATOM 0 H PHE B 71 -9.224 -8.009 -4.163 1.00 0.70 H new ATOM 0 HA PHE B 71 -8.358 -5.988 -2.396 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -7.346 -8.797 -2.953 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -6.821 -7.815 -1.600 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -8.368 -7.288 0.241 1.00 1.93 H new ATOM 0 HD2 PHE B 71 -9.573 -9.782 -2.997 1.00 1.50 H new ATOM 0 HE1 PHE B 71 -10.299 -8.054 1.551 1.00 2.18 H new ATOM 0 HE2 PHE B 71 -11.502 -10.555 -1.688 1.00 1.76 H new ATOM 0 HZ PHE B 71 -11.871 -9.689 0.590 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.437 -6.527 -4.951 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.337 -5.951 -5.718 1.00 0.57 C ATOM 2664 C GLN B 72 -5.630 -4.490 -6.053 1.00 0.50 C ATOM 2665 O GLN B 72 -4.735 -3.651 -6.087 1.00 0.47 O ATOM 2666 CB GLN B 72 -5.116 -6.742 -7.007 1.00 0.70 C ATOM 2667 CG GLN B 72 -4.117 -6.092 -7.948 1.00 0.75 C ATOM 2668 CD GLN B 72 -3.981 -6.834 -9.260 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -4.928 -7.459 -9.736 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -2.801 -6.770 -9.852 1.00 1.66 N ATOM 0 H GLN B 72 -6.994 -7.209 -5.466 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.433 -6.001 -5.112 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -4.768 -7.744 -6.755 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -6.069 -6.856 -7.523 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -4.426 -5.066 -8.146 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -3.143 -6.043 -7.460 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -2.043 -6.240 -9.422 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -2.649 -7.250 -10.739 1.00 1.66 H new ATOM 2679 N GLU B 73 -6.889 -4.197 -6.297 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.313 -2.842 -6.599 1.00 0.47 C ATOM 2681 C GLU B 73 -7.454 -2.035 -5.304 1.00 0.36 C ATOM 2682 O GLU B 73 -7.227 -0.830 -5.283 1.00 0.33 O ATOM 2683 CB GLU B 73 -8.601 -2.889 -7.420 1.00 0.56 C ATOM 2684 CG GLU B 73 -8.384 -3.585 -8.759 1.00 0.78 C ATOM 2685 CD GLU B 73 -9.664 -3.963 -9.478 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -10.317 -4.933 -9.045 1.00 1.82 O ATOM 2687 OE2 GLU B 73 -9.989 -3.335 -10.506 1.00 1.99 O ATOM 0 H GLU B 73 -7.644 -4.883 -6.293 1.00 0.50 H new ATOM 0 HA GLU B 73 -6.562 -2.331 -7.202 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.374 -3.413 -6.857 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -8.963 -1.875 -7.590 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -7.797 -2.931 -9.405 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -7.793 -4.486 -8.596 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.791 -2.722 -4.217 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.687 -2.148 -2.877 1.00 0.34 C ATOM 2696 C PHE B 74 -6.232 -1.817 -2.578 1.00 0.32 C ATOM 2697 O PHE B 74 -5.927 -0.916 -1.801 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.204 -3.125 -1.815 1.00 0.43 C ATOM 2699 CG PHE B 74 -9.690 -3.101 -1.586 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -10.291 -2.016 -0.970 1.00 1.32 C ATOM 2701 CD2 PHE B 74 -10.482 -4.178 -1.955 1.00 1.44 C ATOM 2702 CE1 PHE B 74 -11.653 -2.003 -0.729 1.00 1.77 C ATOM 2703 CE2 PHE B 74 -11.843 -4.168 -1.719 1.00 1.92 C ATOM 2704 CZ PHE B 74 -12.428 -3.081 -1.105 1.00 1.90 C ATOM 0 H PHE B 74 -8.140 -3.680 -4.237 1.00 0.37 H new ATOM 0 HA PHE B 74 -8.296 -1.244 -2.846 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -7.914 -4.135 -2.103 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.704 -2.907 -0.871 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -9.689 -1.170 -0.674 1.00 1.32 H new ATOM 0 HD2 PHE B 74 -10.029 -5.035 -2.432 1.00 1.44 H new ATOM 0 HE1 PHE B 74 -12.109 -1.151 -0.247 1.00 1.77 H new ATOM 0 HE2 PHE B 74 -12.449 -5.012 -2.015 1.00 1.92 H new ATOM 0 HZ PHE B 74 -13.492 -3.073 -0.918 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.341 -2.560 -3.212 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.917 -2.315 -3.097 1.00 0.36 C ATOM 2716 C ILE B 75 -3.574 -0.999 -3.779 1.00 0.34 C ATOM 2717 O ILE B 75 -2.782 -0.203 -3.271 1.00 0.36 O ATOM 2718 CB ILE B 75 -3.115 -3.486 -3.710 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.701 -4.471 -2.626 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -1.906 -2.994 -4.485 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.260 -5.798 -3.180 1.00 0.67 C ATOM 0 H ILE B 75 -5.584 -3.345 -3.817 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.645 -2.245 -2.044 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.765 -4.000 -4.418 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -1.889 -4.039 -2.040 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -3.538 -4.627 -1.945 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.368 -3.846 -4.900 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.234 -2.342 -5.295 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.247 -2.440 -3.817 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -1.977 -6.459 -2.360 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -3.078 -6.248 -3.742 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -1.405 -5.651 -3.839 1.00 0.67 H new ATOM 2733 N SER B 76 -4.205 -0.766 -4.925 1.00 0.34 N ATOM 2734 CA SER B 76 -4.082 0.498 -5.616 1.00 0.36 C ATOM 2735 C SER B 76 -4.573 1.629 -4.721 1.00 0.31 C ATOM 2736 O SER B 76 -4.016 2.715 -4.722 1.00 0.33 O ATOM 2737 CB SER B 76 -4.879 0.463 -6.916 1.00 0.45 C ATOM 2738 OG SER B 76 -4.429 -0.583 -7.763 1.00 0.74 O ATOM 0 H SER B 76 -4.808 -1.444 -5.391 1.00 0.34 H new ATOM 0 HA SER B 76 -3.033 0.673 -5.856 1.00 0.36 H new ATOM 0 HB2 SER B 76 -5.937 0.325 -6.694 1.00 0.45 H new ATOM 0 HB3 SER B 76 -4.783 1.419 -7.431 1.00 0.45 H new ATOM 0 HG SER B 76 -4.957 -0.585 -8.589 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.608 1.358 -3.939 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.122 2.334 -2.987 1.00 0.26 C ATOM 2746 C LEU B 77 -5.033 2.768 -2.021 1.00 0.23 C ATOM 2747 O LEU B 77 -4.856 3.955 -1.765 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.287 1.748 -2.193 1.00 0.30 C ATOM 2749 CG LEU B 77 -7.519 2.407 -0.833 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -8.144 3.778 -1.002 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -8.365 1.516 0.062 1.00 1.14 C ATOM 0 H LEU B 77 -6.109 0.470 -3.945 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.467 3.199 -3.553 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.197 1.838 -2.786 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -7.109 0.683 -2.042 1.00 0.30 H new ATOM 0 HG LEU B 77 -6.553 2.540 -0.346 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -8.301 4.230 -0.022 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.480 4.410 -1.591 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -9.101 3.681 -1.514 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.517 2.006 1.024 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -9.331 1.337 -0.411 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -7.855 0.565 0.215 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.304 1.799 -1.490 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.254 2.084 -0.530 1.00 0.25 C ATOM 2765 C VAL B 78 -2.126 2.838 -1.208 1.00 0.27 C ATOM 2766 O VAL B 78 -1.393 3.576 -0.569 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.702 0.802 0.110 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -1.841 1.135 1.315 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -3.843 -0.126 0.492 1.00 0.31 C ATOM 0 H VAL B 78 -4.421 0.810 -1.709 1.00 0.24 H new ATOM 0 HA VAL B 78 -3.688 2.695 0.261 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.073 0.289 -0.617 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.459 0.214 1.755 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -1.006 1.762 1.003 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.439 1.669 2.053 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.439 -1.032 0.945 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.497 0.376 1.205 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.412 -0.389 -0.400 1.00 0.31 H new ATOM 2779 N ALA B 79 -1.997 2.651 -2.509 1.00 0.31 N ATOM 2780 CA ALA B 79 -1.069 3.438 -3.298 1.00 0.36 C ATOM 2781 C ALA B 79 -1.463 4.909 -3.230 1.00 0.33 C ATOM 2782 O ALA B 79 -0.642 5.777 -2.941 1.00 0.34 O ATOM 2783 CB ALA B 79 -1.062 2.951 -4.739 1.00 0.43 C ATOM 0 H ALA B 79 -2.525 1.959 -3.042 1.00 0.31 H new ATOM 0 HA ALA B 79 -0.063 3.323 -2.894 1.00 0.36 H new ATOM 0 HB1 ALA B 79 -0.362 3.549 -5.322 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.757 1.905 -4.768 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -2.062 3.049 -5.161 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.743 5.161 -3.470 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.319 6.500 -3.379 1.00 0.32 C ATOM 2791 C ILE B 80 -3.196 7.040 -1.954 1.00 0.28 C ATOM 2792 O ILE B 80 -2.929 8.220 -1.743 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.819 6.484 -3.803 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -4.984 6.420 -5.332 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.556 7.702 -3.260 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -4.305 5.246 -6.005 1.00 0.40 C ATOM 0 H ILE B 80 -3.415 4.441 -3.734 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.766 7.151 -4.057 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.255 5.582 -3.374 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -6.048 6.386 -5.565 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.592 7.341 -5.763 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.600 7.664 -3.571 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.502 7.705 -2.171 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -5.094 8.610 -3.648 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.480 5.291 -7.080 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -3.233 5.285 -5.810 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.712 4.315 -5.610 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.368 6.158 -0.987 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.389 6.539 0.415 1.00 0.23 C ATOM 2810 C ALA B 81 -1.985 6.807 0.967 1.00 0.23 C ATOM 2811 O ALA B 81 -1.787 7.721 1.763 1.00 0.28 O ATOM 2812 CB ALA B 81 -4.103 5.471 1.214 1.00 0.24 C ATOM 0 H ALA B 81 -3.497 5.159 -1.150 1.00 0.23 H new ATOM 0 HA ALA B 81 -3.933 7.479 0.506 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -4.120 5.754 2.266 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.125 5.366 0.850 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.579 4.522 1.102 1.00 0.24 H new ATOM 2818 N LEU B 82 -1.011 6.009 0.546 1.00 0.22 N ATOM 2819 CA LEU B 82 0.384 6.252 0.897 1.00 0.23 C ATOM 2820 C LEU B 82 0.866 7.501 0.184 1.00 0.24 C ATOM 2821 O LEU B 82 1.663 8.283 0.712 1.00 0.30 O ATOM 2822 CB LEU B 82 1.261 5.067 0.502 1.00 0.25 C ATOM 2823 CG LEU B 82 0.975 3.760 1.238 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.847 2.658 0.690 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.206 3.918 2.728 1.00 0.32 C ATOM 0 H LEU B 82 -1.161 5.187 -0.039 1.00 0.22 H new ATOM 0 HA LEU B 82 0.455 6.385 1.977 1.00 0.23 H new ATOM 0 HB2 LEU B 82 1.146 4.893 -0.568 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.303 5.337 0.670 1.00 0.25 H new ATOM 0 HG LEU B 82 -0.071 3.498 1.081 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.636 1.729 1.221 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.640 2.524 -0.372 1.00 0.33 H new ATOM 0 HD13 LEU B 82 2.896 2.923 0.825 1.00 0.33 H new ATOM 0 HD21 LEU B 82 0.996 2.974 3.231 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.243 4.202 2.907 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.545 4.692 3.119 1.00 0.32 H new ATOM 2837 N LYS B 83 0.373 7.668 -1.031 1.00 0.26 N ATOM 2838 CA LYS B 83 0.586 8.880 -1.790 1.00 0.33 C ATOM 2839 C LYS B 83 0.020 10.074 -1.029 1.00 0.31 C ATOM 2840 O LYS B 83 0.618 11.147 -1.002 1.00 0.44 O ATOM 2841 CB LYS B 83 -0.076 8.755 -3.157 1.00 0.42 C ATOM 2842 CG LYS B 83 0.932 8.666 -4.274 1.00 0.66 C ATOM 2843 CD LYS B 83 1.789 9.907 -4.292 1.00 1.04 C ATOM 2844 CE LYS B 83 3.110 9.668 -4.980 1.00 0.80 C ATOM 2845 NZ LYS B 83 4.010 8.787 -4.194 1.00 1.67 N ATOM 0 H LYS B 83 -0.185 6.965 -1.516 1.00 0.26 H new ATOM 0 HA LYS B 83 1.656 9.034 -1.933 1.00 0.33 H new ATOM 0 HB2 LYS B 83 -0.710 7.869 -3.171 1.00 0.42 H new ATOM 0 HB3 LYS B 83 -0.725 9.614 -3.324 1.00 0.42 H new ATOM 0 HG2 LYS B 83 1.558 7.783 -4.141 1.00 0.66 H new ATOM 0 HG3 LYS B 83 0.420 8.553 -5.230 1.00 0.66 H new ATOM 0 HD2 LYS B 83 1.255 10.710 -4.800 1.00 1.04 H new ATOM 0 HD3 LYS B 83 1.967 10.240 -3.270 1.00 1.04 H new ATOM 0 HE2 LYS B 83 2.931 9.220 -5.957 1.00 0.80 H new ATOM 0 HE3 LYS B 83 3.604 10.624 -5.153 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 4.808 9.344 -3.827 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 3.483 8.372 -3.399 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 4.371 8.026 -4.804 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.123 9.850 -0.391 1.00 0.31 N ATOM 2860 CA ALA B 84 -1.804 10.869 0.400 1.00 0.35 C ATOM 2861 C ALA B 84 -1.053 11.180 1.684 1.00 0.33 C ATOM 2862 O ALA B 84 -1.230 12.238 2.272 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.218 10.414 0.723 1.00 0.48 C ATOM 0 H ALA B 84 -1.606 8.952 -0.408 1.00 0.31 H new ATOM 0 HA ALA B 84 -1.840 11.783 -0.193 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.721 11.180 1.314 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.768 10.251 -0.204 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.180 9.484 1.291 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.242 10.240 2.133 1.00 0.30 N ATOM 2870 CA ALA B 85 0.539 10.435 3.340 1.00 0.38 C ATOM 2871 C ALA B 85 1.829 11.209 3.054 1.00 0.44 C ATOM 2872 O ALA B 85 2.055 12.279 3.617 1.00 0.57 O ATOM 2873 CB ALA B 85 0.837 9.095 3.992 1.00 0.42 C ATOM 0 H ALA B 85 -0.107 9.336 1.681 1.00 0.30 H new ATOM 0 HA ALA B 85 -0.049 11.036 4.034 1.00 0.38 H new ATOM 0 HB1 ALA B 85 1.424 9.253 4.897 1.00 0.42 H new ATOM 0 HB2 ALA B 85 -0.099 8.599 4.248 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.401 8.470 3.299 1.00 0.42 H new ATOM 2879 N HIS B 86 2.672 10.676 2.173 1.00 0.44 N ATOM 2880 CA HIS B 86 3.985 11.277 1.920 1.00 0.59 C ATOM 2881 C HIS B 86 3.924 12.382 0.856 1.00 0.63 C ATOM 2882 O HIS B 86 4.416 13.486 1.075 1.00 0.72 O ATOM 2883 CB HIS B 86 5.012 10.191 1.549 1.00 0.69 C ATOM 2884 CG HIS B 86 6.354 10.726 1.132 1.00 1.28 C ATOM 2885 ND1 HIS B 86 7.351 11.036 2.029 1.00 2.06 N ATOM 2886 CD2 HIS B 86 6.856 11.009 -0.092 1.00 2.11 C ATOM 2887 CE1 HIS B 86 8.405 11.486 1.376 1.00 2.66 C ATOM 2888 NE2 HIS B 86 8.132 11.480 0.085 1.00 2.68 N ATOM 0 H HIS B 86 2.475 9.838 1.626 1.00 0.44 H new ATOM 0 HA HIS B 86 4.311 11.756 2.843 1.00 0.59 H new ATOM 0 HB2 HIS B 86 5.148 9.528 2.404 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.607 9.586 0.738 1.00 0.69 H new ATOM 0 HD2 HIS B 86 6.345 10.886 -1.036 1.00 2.11 H new ATOM 0 HE1 HIS B 86 9.335 11.806 1.823 1.00 2.66 H new ATOM 0 HE2 HIS B 86 8.765 11.776 -0.658 1.00 2.68 H new ATOM 2897 N TYR B 87 3.314 12.088 -0.283 1.00 0.58 N ATOM 2898 CA TYR B 87 3.223 13.041 -1.393 1.00 0.65 C ATOM 2899 C TYR B 87 1.959 13.880 -1.251 1.00 0.62 C ATOM 2900 O TYR B 87 1.387 14.313 -2.243 1.00 0.66 O ATOM 2901 CB TYR B 87 3.263 12.347 -2.753 1.00 0.69 C ATOM 2902 CG TYR B 87 3.857 13.206 -3.848 1.00 0.87 C ATOM 2903 CD1 TYR B 87 5.184 13.608 -3.788 1.00 1.43 C ATOM 2904 CD2 TYR B 87 3.095 13.617 -4.934 1.00 1.63 C ATOM 2905 CE1 TYR B 87 5.738 14.393 -4.780 1.00 1.54 C ATOM 2906 CE2 TYR B 87 3.642 14.402 -5.931 1.00 1.80 C ATOM 2907 CZ TYR B 87 4.965 14.788 -5.849 1.00 1.29 C ATOM 2908 OH TYR B 87 5.517 15.569 -6.842 1.00 1.51 O ATOM 0 H TYR B 87 2.869 11.189 -0.469 1.00 0.58 H new ATOM 0 HA TYR B 87 4.095 13.693 -1.346 1.00 0.65 H new ATOM 0 HB2 TYR B 87 3.843 11.428 -2.667 1.00 0.69 H new ATOM 0 HB3 TYR B 87 2.250 12.059 -3.036 1.00 0.69 H new ATOM 0 HD1 TYR B 87 5.794 13.302 -2.951 1.00 1.43 H new ATOM 0 HD2 TYR B 87 2.059 13.319 -5.000 1.00 1.63 H new ATOM 0 HE1 TYR B 87 6.773 14.696 -4.718 1.00 1.54 H new ATOM 0 HE2 TYR B 87 3.037 14.712 -6.770 1.00 1.80 H new ATOM 0 HH TYR B 87 4.839 15.759 -7.524 1.00 1.51 H new ATOM 2918 N HIS B 88 1.490 13.950 -0.005 1.00 0.59 N ATOM 2919 CA HIS B 88 0.231 14.593 0.438 1.00 0.62 C ATOM 2920 C HIS B 88 -0.072 16.007 -0.126 1.00 0.70 C ATOM 2921 O HIS B 88 -0.862 16.738 0.461 1.00 0.76 O ATOM 2922 CB HIS B 88 0.270 14.675 1.972 1.00 0.65 C ATOM 2923 CG HIS B 88 1.234 15.687 2.521 1.00 1.54 C ATOM 2924 ND1 HIS B 88 0.842 16.740 3.315 1.00 2.37 N ATOM 2925 CD2 HIS B 88 2.578 15.798 2.392 1.00 2.40 C ATOM 2926 CE1 HIS B 88 1.897 17.457 3.647 1.00 3.26 C ATOM 2927 NE2 HIS B 88 2.962 16.906 3.100 1.00 3.27 N ATOM 0 H HIS B 88 2.001 13.538 0.776 1.00 0.59 H new ATOM 0 HA HIS B 88 -0.570 13.968 0.042 1.00 0.62 H new ATOM 0 HB2 HIS B 88 -0.730 14.911 2.335 1.00 0.65 H new ATOM 0 HB3 HIS B 88 0.530 13.693 2.368 1.00 0.65 H new ATOM 0 HD1 HIS B 88 -0.117 16.936 3.602 1.00 2.37 H new ATOM 0 HD2 HIS B 88 3.225 15.137 1.835 1.00 2.40 H new ATOM 0 HE1 HIS B 88 1.890 18.345 4.262 1.00 3.26 H new ATOM 2936 N THR B 89 0.536 16.393 -1.229 1.00 0.73 N ATOM 2937 CA THR B 89 0.344 17.719 -1.801 1.00 0.81 C ATOM 2938 C THR B 89 -1.111 17.978 -2.235 1.00 0.72 C ATOM 2939 O THR B 89 -1.593 19.107 -2.131 1.00 1.05 O ATOM 2940 CB THR B 89 1.302 17.943 -2.997 1.00 0.97 C ATOM 2941 OG1 THR B 89 1.027 19.194 -3.635 1.00 1.27 O ATOM 2942 CG2 THR B 89 1.196 16.812 -4.011 1.00 0.90 C ATOM 0 H THR B 89 1.177 15.801 -1.757 1.00 0.73 H new ATOM 0 HA THR B 89 0.576 18.433 -1.011 1.00 0.81 H new ATOM 0 HB THR B 89 2.319 17.958 -2.605 1.00 0.97 H new ATOM 0 HG1 THR B 89 1.642 19.320 -4.387 1.00 1.27 H new ATOM 0 HG21 THR B 89 1.881 16.999 -4.838 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.455 15.868 -3.532 1.00 0.90 H new ATOM 0 HG23 THR B 89 0.176 16.758 -4.390 1.00 0.90 H new ATOM 2950 N HIS B 90 -1.812 16.952 -2.720 1.00 0.66 N ATOM 2951 CA HIS B 90 -3.186 17.135 -3.208 1.00 0.65 C ATOM 2952 C HIS B 90 -4.080 15.975 -2.807 1.00 0.94 C ATOM 2953 O HIS B 90 -5.289 16.014 -3.014 1.00 1.78 O ATOM 2954 CB HIS B 90 -3.182 17.314 -4.732 1.00 0.91 C ATOM 2955 CG HIS B 90 -4.468 17.842 -5.297 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -4.734 19.188 -5.425 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -5.562 17.201 -5.774 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -5.932 19.351 -5.951 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -6.454 18.162 -6.173 1.00 3.47 N ATOM 0 H HIS B 90 -1.460 15.997 -2.787 1.00 0.66 H new ATOM 0 HA HIS B 90 -3.592 18.034 -2.745 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -2.374 17.993 -5.004 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -2.962 16.354 -5.198 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -5.705 16.132 -5.830 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -6.405 20.298 -6.164 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -7.374 17.985 -6.577 1.00 3.47 H new ATOM 2968 N LYS B 91 -3.495 14.948 -2.231 1.00 0.91 N ATOM 2969 CA LYS B 91 -4.280 13.868 -1.670 1.00 1.63 C ATOM 2970 C LYS B 91 -4.406 14.055 -0.163 1.00 2.59 C ATOM 2971 O LYS B 91 -4.734 13.124 0.564 1.00 3.47 O ATOM 2972 CB LYS B 91 -3.661 12.513 -2.015 1.00 1.10 C ATOM 2973 CG LYS B 91 -3.828 12.122 -3.476 1.00 1.28 C ATOM 2974 CD LYS B 91 -3.137 10.803 -3.787 1.00 0.87 C ATOM 2975 CE LYS B 91 -3.351 10.387 -5.235 1.00 0.78 C ATOM 2976 NZ LYS B 91 -2.761 11.360 -6.189 1.00 1.29 N ATOM 0 H LYS B 91 -2.485 14.837 -2.138 1.00 0.91 H new ATOM 0 HA LYS B 91 -5.279 13.888 -2.105 1.00 1.63 H new ATOM 0 HB2 LYS B 91 -2.599 12.536 -1.773 1.00 1.10 H new ATOM 0 HB3 LYS B 91 -4.114 11.745 -1.388 1.00 1.10 H new ATOM 0 HG2 LYS B 91 -4.889 12.042 -3.712 1.00 1.28 H new ATOM 0 HG3 LYS B 91 -3.418 12.907 -4.112 1.00 1.28 H new ATOM 0 HD2 LYS B 91 -2.069 10.895 -3.588 1.00 0.87 H new ATOM 0 HD3 LYS B 91 -3.519 10.026 -3.124 1.00 0.87 H new ATOM 0 HE2 LYS B 91 -2.907 9.405 -5.399 1.00 0.78 H new ATOM 0 HE3 LYS B 91 -4.419 10.291 -5.430 1.00 0.78 H new ATOM 0 HZ1 LYS B 91 -2.794 10.966 -7.151 1.00 1.29 H new ATOM 0 HZ2 LYS B 91 -3.302 12.247 -6.159 1.00 1.29 H new ATOM 0 HZ3 LYS B 91 -1.773 11.548 -5.926 1.00 1.29 H new ATOM 2990 N GLU B 92 -4.158 15.284 0.287 1.00 2.69 N ATOM 2991 CA GLU B 92 -4.258 15.642 1.697 1.00 3.81 C ATOM 2992 C GLU B 92 -4.552 17.134 1.816 1.00 4.36 C ATOM 2993 O GLU B 92 -3.762 17.942 1.283 1.00 4.92 O ATOM 2994 CB GLU B 92 -2.961 15.282 2.425 1.00 4.66 C ATOM 2995 CG GLU B 92 -3.014 15.408 3.945 1.00 5.74 C ATOM 2996 CD GLU B 92 -2.681 16.800 4.445 1.00 6.58 C ATOM 2997 OE1 GLU B 92 -1.586 17.308 4.126 1.00 7.00 O ATOM 2998 OE2 GLU B 92 -3.504 17.391 5.178 1.00 7.08 O ATOM 2999 OXT GLU B 92 -5.570 17.498 2.435 1.00 4.64 O ATOM 0 H GLU B 92 -3.882 16.058 -0.317 1.00 2.69 H new ATOM 0 HA GLU B 92 -5.071 15.083 2.161 1.00 3.81 H new ATOM 0 HB2 GLU B 92 -2.692 14.257 2.170 1.00 4.66 H new ATOM 0 HB3 GLU B 92 -2.163 15.923 2.051 1.00 4.66 H new ATOM 0 HG2 GLU B 92 -4.011 15.135 4.290 1.00 5.74 H new ATOM 0 HG3 GLU B 92 -2.317 14.695 4.386 1.00 5.74 H new TER 3006 GLU B 92