USER MOD reduce.3.24.130724 H: found=0, std=0, add=1284, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1284 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 129 SER OG : rot 180:sc= 0.429 USER MOD Set 1.2: A 154 GLN : amide:sc= -0.0769 K(o=0.35,f=-0.6) USER MOD Set 2.1: A 100 TYR OH : rot 180:sc= 0.514 USER MOD Set 2.2: A 112 TYR OH : rot -149:sc= -0.873 USER MOD Set 2.3: A 138 ASN : amide:sc= 0.694 K(o=0.33,f=-0.54) USER MOD Set 3.1: A 74 ASN :FLIP amide:sc= -0.545 F(o=-0.73,f=-0.11) USER MOD Set 3.2: A 106 THR OG1 : rot -18:sc= 0.435 USER MOD Set 4.1: A 63 MET CE :methyl -119:sc= -1.13 (180deg=-2.94!) USER MOD Set 4.2: A 82 CYS SG : rot 72:sc= 0.557 USER MOD Set 5.1: A 52 LYS NZ :NH3+ 174:sc= 1.01 (180deg=0.689) USER MOD Set 5.2: A 84 LYS NZ :NH3+ 141:sc= 1.24 (180deg=0.12) USER MOD Set 5.3: A 88 TYR OH : rot 60:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 140:sc= -0.0346 (180deg=-0.278) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.121 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.175 K(o=-0.17,f=-0.85) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 6 HIS : no HD1:sc= -0.0861 K(o=-0.086,f=-0.62) USER MOD Single : A 7 HIS : no HD1:sc= -0.0296 X(o=-0.03,f=-0.087) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -162:sc= 0 (180deg=-0.00356) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0449 USER MOD Single : A 16 ASN : amide:sc= -0.752 X(o=-0.75,f=-0.97) USER MOD Single : A 19 GLN : amide:sc= -0.384 X(o=-0.38,f=0) USER MOD Single : A 20 MET CE :methyl -134:sc= -1.23 (180deg=-4.45!) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 MET CE :methyl -136:sc= -0.535 (180deg=-1.18) USER MOD Single : A 26 GLN : amide:sc=-0.00673 X(o=-0.0067,f=-0.1) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 150:sc= -0.276 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 40 TYR OH : rot 30:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.18 X(o=0.18,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.703 X(o=-0.7,f=-0.35) USER MOD Single : A 51 ASN : amide:sc= 0.115 X(o=0.12,f=0) USER MOD Single : A 54 TYR OH : rot 70:sc= 0.536 USER MOD Single : A 57 THR OG1 : rot 80:sc= 0.159 USER MOD Single : A 61 HIS : no HD1:sc= -0.266 X(o=-0.27,f=0.049) USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= 1.47 (180deg=1.1) USER MOD Single : A 69 LYS NZ :NH3+ -121:sc= 1.01 (180deg=0.345) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.607 X(o=-0.61,f=-0.21) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -162:sc= 0.339 USER MOD Single : A 89 ASN : amide:sc= 0.548 K(o=0.55,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 101 ASN : amide:sc= -0.922 X(o=-0.92,f=-0.66) USER MOD Single : A 102 HIS : no HE2:sc= -1.76 K(o=-1.8,f=-3.2) USER MOD Single : A 108 SER OG : rot -68:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= -1.18 USER MOD Single : A 118 HIS : no HD1:sc= -1.84! C(o=-1.8!,f=-3.1!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 126 GLN :FLIP amide:sc= -0.165 F(o=-2.2!,f=-0.16) USER MOD Single : A 127 HIS : no HD1:sc= -0.042 K(o=-0.042,f=-0.76) USER MOD Single : A 133 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.62) USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 GLN : amide:sc= 0.259 X(o=0.26,f=-0.018) USER MOD Single : A 147 GLN : amide:sc= -0.0258 K(o=-0.026,f=-2.8!) USER MOD Single : A 148 GLN : amide:sc= -0.018 K(o=-0.018,f=-1.5!) USER MOD Single : A 149 GLN :FLIP amide:sc= -0.0298 F(o=-1.7!,f=-0.03) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 155 THR OG1 : rot -68:sc= 0.191 USER MOD Single : A 158 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 42:sc= -0.0269 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.855 25.631 1.952 1.00 4.04 N ATOM 2 CA MET A 1 22.670 24.694 0.805 1.00 21.11 C ATOM 3 C MET A 1 22.216 25.486 -0.453 1.00 63.03 C ATOM 4 O MET A 1 21.840 26.657 -0.334 1.00 41.43 O ATOM 5 CB MET A 1 21.633 23.599 1.206 1.00 52.44 C ATOM 6 CG MET A 1 21.559 22.380 0.268 1.00 23.23 C ATOM 7 SD MET A 1 23.129 21.502 0.124 1.00 41.14 S ATOM 8 CE MET A 1 23.474 21.022 1.820 1.00 32.24 C ATOM 0 H1 MET A 1 23.860 25.661 2.217 1.00 4.04 H new ATOM 0 H2 MET A 1 22.541 26.583 1.676 1.00 4.04 H new ATOM 0 H3 MET A 1 22.293 25.302 2.763 1.00 4.04 H new ATOM 0 HA MET A 1 23.611 24.202 0.561 1.00 21.11 H new ATOM 0 HB2 MET A 1 21.871 23.249 2.210 1.00 52.44 H new ATOM 0 HB3 MET A 1 20.646 24.059 1.254 1.00 52.44 H new ATOM 0 HG2 MET A 1 20.797 21.692 0.635 1.00 23.23 H new ATOM 0 HG3 MET A 1 21.241 22.709 -0.721 1.00 23.23 H new ATOM 0 HE1 MET A 1 23.886 20.013 1.836 1.00 32.24 H new ATOM 0 HE2 MET A 1 24.194 21.715 2.255 1.00 32.24 H new ATOM 0 HE3 MET A 1 22.551 21.046 2.400 1.00 32.24 H new ATOM 20 N GLY A 2 22.281 24.848 -1.646 1.00 3.35 N ATOM 21 CA GLY A 2 21.853 25.474 -2.914 1.00 12.05 C ATOM 22 C GLY A 2 20.394 25.967 -2.907 1.00 0.44 C ATOM 23 O GLY A 2 19.461 25.174 -3.077 1.00 43.41 O ATOM 0 H GLY A 2 22.628 23.895 -1.754 1.00 3.35 H new ATOM 0 HA2 GLY A 2 22.510 26.317 -3.131 1.00 12.05 H new ATOM 0 HA3 GLY A 2 21.979 24.755 -3.723 1.00 12.05 H new ATOM 27 N HIS A 3 20.215 27.280 -2.683 1.00 52.53 N ATOM 28 CA HIS A 3 18.884 27.920 -2.574 1.00 60.24 C ATOM 29 C HIS A 3 18.164 27.969 -3.953 1.00 32.55 C ATOM 30 O HIS A 3 18.534 28.757 -4.827 1.00 2.21 O ATOM 31 CB HIS A 3 19.024 29.354 -1.996 1.00 10.44 C ATOM 32 CG HIS A 3 19.651 29.438 -0.624 1.00 2.43 C ATOM 33 ND1 HIS A 3 18.930 29.304 0.544 1.00 53.53 N ATOM 34 CD2 HIS A 3 20.930 29.689 -0.234 1.00 2.22 C ATOM 35 CE1 HIS A 3 19.728 29.474 1.575 1.00 42.44 C ATOM 36 NE2 HIS A 3 20.942 29.705 1.134 1.00 2.02 N ATOM 0 H HIS A 3 20.990 27.934 -2.571 1.00 52.53 H new ATOM 0 HA HIS A 3 18.278 27.318 -1.898 1.00 60.24 H new ATOM 0 HB2 HIS A 3 19.620 29.950 -2.687 1.00 10.44 H new ATOM 0 HB3 HIS A 3 18.035 29.809 -1.954 1.00 10.44 H new ATOM 0 HD2 HIS A 3 21.778 29.846 -0.884 1.00 2.22 H new ATOM 0 HE1 HIS A 3 19.433 29.431 2.613 1.00 42.44 H new ATOM 0 HE2 HIS A 3 21.762 29.870 1.717 1.00 2.02 H new ATOM 45 N HIS A 4 17.144 27.114 -4.129 1.00 3.15 N ATOM 46 CA HIS A 4 16.367 27.008 -5.395 1.00 3.13 C ATOM 47 C HIS A 4 15.280 28.102 -5.518 1.00 74.04 C ATOM 48 O HIS A 4 14.626 28.217 -6.561 1.00 14.21 O ATOM 49 CB HIS A 4 15.739 25.601 -5.505 1.00 24.53 C ATOM 50 CG HIS A 4 16.755 24.486 -5.482 1.00 14.13 C ATOM 51 ND1 HIS A 4 16.521 23.259 -4.897 1.00 63.32 N ATOM 52 CD2 HIS A 4 18.007 24.412 -5.994 1.00 14.30 C ATOM 53 CE1 HIS A 4 17.574 22.489 -5.048 1.00 42.54 C ATOM 54 NE2 HIS A 4 18.487 23.162 -5.708 1.00 63.13 N ATOM 0 H HIS A 4 16.827 26.472 -3.403 1.00 3.15 H new ATOM 0 HA HIS A 4 17.061 27.165 -6.221 1.00 3.13 H new ATOM 0 HB2 HIS A 4 15.037 25.460 -4.683 1.00 24.53 H new ATOM 0 HB3 HIS A 4 15.164 25.539 -6.429 1.00 24.53 H new ATOM 0 HD2 HIS A 4 18.529 25.193 -6.528 1.00 14.30 H new ATOM 0 HE1 HIS A 4 17.672 21.475 -4.690 1.00 42.54 H new ATOM 0 HE2 HIS A 4 19.408 22.810 -5.967 1.00 63.13 H new ATOM 63 N HIS A 5 15.089 28.884 -4.444 1.00 22.52 N ATOM 64 CA HIS A 5 14.253 30.100 -4.474 1.00 22.01 C ATOM 65 C HIS A 5 15.047 31.269 -5.099 1.00 52.44 C ATOM 66 O HIS A 5 16.252 31.403 -4.849 1.00 25.21 O ATOM 67 CB HIS A 5 13.755 30.464 -3.051 1.00 0.44 C ATOM 68 CG HIS A 5 12.669 29.553 -2.524 1.00 21.31 C ATOM 69 ND1 HIS A 5 11.481 30.015 -2.001 1.00 23.33 N ATOM 70 CD2 HIS A 5 12.611 28.205 -2.414 1.00 52.03 C ATOM 71 CE1 HIS A 5 10.751 29.000 -1.597 1.00 23.30 C ATOM 72 NE2 HIS A 5 11.412 27.890 -1.835 1.00 2.43 N ATOM 0 H HIS A 5 15.507 28.695 -3.533 1.00 22.52 H new ATOM 0 HA HIS A 5 13.375 29.906 -5.091 1.00 22.01 H new ATOM 0 HB2 HIS A 5 14.601 30.438 -2.364 1.00 0.44 H new ATOM 0 HB3 HIS A 5 13.383 31.488 -3.059 1.00 0.44 H new ATOM 0 HD2 HIS A 5 13.372 27.506 -2.726 1.00 52.03 H new ATOM 0 HE1 HIS A 5 9.772 29.067 -1.145 1.00 23.30 H new ATOM 0 HE2 HIS A 5 11.085 26.947 -1.623 1.00 2.43 H new ATOM 81 N HIS A 6 14.349 32.105 -5.902 1.00 14.03 N ATOM 82 CA HIS A 6 14.961 33.193 -6.713 1.00 65.14 C ATOM 83 C HIS A 6 15.995 32.612 -7.730 1.00 70.22 C ATOM 84 O HIS A 6 17.087 33.157 -7.936 1.00 1.55 O ATOM 85 CB HIS A 6 15.579 34.293 -5.788 1.00 21.02 C ATOM 86 CG HIS A 6 15.913 35.596 -6.481 1.00 12.14 C ATOM 87 ND1 HIS A 6 17.155 35.870 -7.015 1.00 23.42 N ATOM 88 CD2 HIS A 6 15.165 36.702 -6.713 1.00 41.42 C ATOM 89 CE1 HIS A 6 17.155 37.074 -7.540 1.00 11.42 C ATOM 90 NE2 HIS A 6 15.962 37.600 -7.370 1.00 22.21 N ATOM 0 H HIS A 6 13.336 32.046 -6.009 1.00 14.03 H new ATOM 0 HA HIS A 6 14.180 33.676 -7.300 1.00 65.14 H new ATOM 0 HB2 HIS A 6 14.881 34.499 -4.977 1.00 21.02 H new ATOM 0 HB3 HIS A 6 16.487 33.897 -5.334 1.00 21.02 H new ATOM 0 HD2 HIS A 6 14.132 36.848 -6.432 1.00 41.42 H new ATOM 0 HE1 HIS A 6 17.992 37.551 -8.028 1.00 11.42 H new ATOM 0 HE2 HIS A 6 15.676 38.529 -7.679 1.00 22.21 H new ATOM 99 N HIS A 7 15.606 31.499 -8.377 1.00 13.02 N ATOM 100 CA HIS A 7 16.441 30.794 -9.384 1.00 22.41 C ATOM 101 C HIS A 7 15.597 30.456 -10.653 1.00 3.13 C ATOM 102 O HIS A 7 15.911 29.521 -11.398 1.00 35.10 O ATOM 103 CB HIS A 7 17.056 29.515 -8.733 1.00 40.11 C ATOM 104 CG HIS A 7 18.216 28.921 -9.502 1.00 51.14 C ATOM 105 ND1 HIS A 7 18.119 27.778 -10.268 1.00 34.54 N ATOM 106 CD2 HIS A 7 19.502 29.336 -9.631 1.00 75.20 C ATOM 107 CE1 HIS A 7 19.283 27.521 -10.825 1.00 73.42 C ATOM 108 NE2 HIS A 7 20.137 28.451 -10.460 1.00 53.00 N ATOM 0 H HIS A 7 14.701 31.056 -8.220 1.00 13.02 H new ATOM 0 HA HIS A 7 17.257 31.440 -9.708 1.00 22.41 H new ATOM 0 HB2 HIS A 7 17.391 29.760 -7.725 1.00 40.11 H new ATOM 0 HB3 HIS A 7 16.276 28.760 -8.635 1.00 40.11 H new ATOM 0 HD2 HIS A 7 19.943 30.205 -9.165 1.00 75.20 H new ATOM 0 HE1 HIS A 7 19.500 26.685 -11.474 1.00 73.42 H new ATOM 0 HE2 HIS A 7 21.114 28.505 -10.748 1.00 53.00 H new ATOM 117 N HIS A 8 14.529 31.261 -10.886 1.00 1.20 N ATOM 118 CA HIS A 8 13.629 31.157 -12.079 1.00 34.22 C ATOM 119 C HIS A 8 12.922 29.777 -12.192 1.00 64.11 C ATOM 120 O HIS A 8 12.478 29.387 -13.278 1.00 53.32 O ATOM 121 CB HIS A 8 14.406 31.490 -13.391 1.00 61.53 C ATOM 122 CG HIS A 8 15.028 32.862 -13.403 1.00 43.12 C ATOM 123 ND1 HIS A 8 16.354 33.085 -13.103 1.00 32.50 N ATOM 124 CD2 HIS A 8 14.504 34.083 -13.684 1.00 42.51 C ATOM 125 CE1 HIS A 8 16.616 34.367 -13.194 1.00 31.31 C ATOM 126 NE2 HIS A 8 15.516 34.995 -13.545 1.00 14.41 N ATOM 0 H HIS A 8 14.260 32.010 -10.248 1.00 1.20 H new ATOM 0 HA HIS A 8 12.841 31.897 -11.936 1.00 34.22 H new ATOM 0 HB2 HIS A 8 15.189 30.746 -13.536 1.00 61.53 H new ATOM 0 HB3 HIS A 8 13.724 31.404 -14.237 1.00 61.53 H new ATOM 0 HD2 HIS A 8 13.483 34.295 -13.964 1.00 42.51 H new ATOM 0 HE1 HIS A 8 17.575 34.829 -13.011 1.00 31.31 H new ATOM 0 HE2 HIS A 8 15.430 36.001 -13.691 1.00 14.41 H new ATOM 135 N SER A 9 12.777 29.068 -11.056 1.00 12.11 N ATOM 136 CA SER A 9 12.206 27.698 -11.025 1.00 12.31 C ATOM 137 C SER A 9 11.354 27.483 -9.755 1.00 43.50 C ATOM 138 O SER A 9 11.883 27.464 -8.641 1.00 43.34 O ATOM 139 CB SER A 9 13.342 26.646 -11.094 1.00 51.14 C ATOM 140 OG SER A 9 14.102 26.764 -12.289 1.00 14.21 O ATOM 0 H SER A 9 13.048 29.421 -10.138 1.00 12.11 H new ATOM 0 HA SER A 9 11.557 27.578 -11.893 1.00 12.31 H new ATOM 0 HB2 SER A 9 13.999 26.765 -10.233 1.00 51.14 H new ATOM 0 HB3 SER A 9 12.914 25.645 -11.033 1.00 51.14 H new ATOM 0 HG SER A 9 14.809 26.086 -12.295 1.00 14.21 H new ATOM 146 N HIS A 10 10.027 27.362 -9.937 1.00 71.34 N ATOM 147 CA HIS A 10 9.076 27.084 -8.831 1.00 43.14 C ATOM 148 C HIS A 10 8.896 25.558 -8.606 1.00 71.50 C ATOM 149 O HIS A 10 8.565 25.115 -7.500 1.00 13.11 O ATOM 150 CB HIS A 10 7.711 27.764 -9.127 1.00 64.41 C ATOM 151 CG HIS A 10 6.734 27.721 -7.977 1.00 70.22 C ATOM 152 ND1 HIS A 10 5.672 26.844 -7.920 1.00 73.32 N ATOM 153 CD2 HIS A 10 6.666 28.451 -6.834 1.00 72.31 C ATOM 154 CE1 HIS A 10 5.004 27.032 -6.805 1.00 74.11 C ATOM 155 NE2 HIS A 10 5.583 27.999 -6.127 1.00 73.14 N ATOM 0 H HIS A 10 9.579 27.453 -10.849 1.00 71.34 H new ATOM 0 HA HIS A 10 9.488 27.500 -7.912 1.00 43.14 H new ATOM 0 HB2 HIS A 10 7.888 28.804 -9.400 1.00 64.41 H new ATOM 0 HB3 HIS A 10 7.257 27.281 -9.992 1.00 64.41 H new ATOM 0 HD2 HIS A 10 7.340 29.241 -6.537 1.00 72.31 H new ATOM 0 HE1 HIS A 10 4.126 26.484 -6.496 1.00 74.11 H new ATOM 0 HE2 HIS A 10 5.276 28.355 -5.222 1.00 73.14 H new ATOM 164 N MET A 11 9.119 24.767 -9.673 1.00 12.15 N ATOM 165 CA MET A 11 8.992 23.296 -9.642 1.00 43.42 C ATOM 166 C MET A 11 10.381 22.623 -9.624 1.00 14.14 C ATOM 167 O MET A 11 11.015 22.488 -10.675 1.00 2.45 O ATOM 168 CB MET A 11 8.176 22.778 -10.872 1.00 14.11 C ATOM 169 CG MET A 11 6.696 23.186 -10.901 1.00 33.12 C ATOM 170 SD MET A 11 5.766 22.305 -12.183 1.00 73.43 S ATOM 171 CE MET A 11 4.065 22.697 -11.761 1.00 23.33 C ATOM 0 H MET A 11 9.394 25.131 -10.585 1.00 12.15 H new ATOM 0 HA MET A 11 8.459 23.033 -8.728 1.00 43.42 H new ATOM 0 HB2 MET A 11 8.653 23.142 -11.782 1.00 14.11 H new ATOM 0 HB3 MET A 11 8.236 21.690 -10.894 1.00 14.11 H new ATOM 0 HG2 MET A 11 6.247 22.987 -9.928 1.00 33.12 H new ATOM 0 HG3 MET A 11 6.620 24.260 -11.073 1.00 33.12 H new ATOM 0 HE1 MET A 11 3.397 21.986 -12.247 1.00 23.33 H new ATOM 0 HE2 MET A 11 3.935 22.637 -10.680 1.00 23.33 H new ATOM 0 HE3 MET A 11 3.830 23.706 -12.099 1.00 23.33 H new ATOM 181 N ASP A 12 10.862 22.231 -8.425 1.00 22.00 N ATOM 182 CA ASP A 12 12.017 21.307 -8.293 1.00 74.11 C ATOM 183 C ASP A 12 11.676 19.946 -8.922 1.00 2.02 C ATOM 184 O ASP A 12 10.523 19.536 -8.888 1.00 52.05 O ATOM 185 CB ASP A 12 12.369 21.070 -6.803 1.00 22.42 C ATOM 186 CG ASP A 12 12.908 22.311 -6.114 1.00 70.24 C ATOM 187 OD1 ASP A 12 14.121 22.559 -6.204 1.00 71.13 O ATOM 188 OD2 ASP A 12 12.123 23.052 -5.490 1.00 10.23 O ATOM 0 H ASP A 12 10.472 22.537 -7.534 1.00 22.00 H new ATOM 0 HA ASP A 12 12.865 21.764 -8.802 1.00 74.11 H new ATOM 0 HB2 ASP A 12 11.479 20.727 -6.276 1.00 22.42 H new ATOM 0 HB3 ASP A 12 13.109 20.272 -6.733 1.00 22.42 H new ATOM 193 N THR A 13 12.674 19.248 -9.489 1.00 1.13 N ATOM 194 CA THR A 13 12.510 17.838 -9.904 1.00 52.03 C ATOM 195 C THR A 13 12.107 16.994 -8.665 1.00 72.00 C ATOM 196 O THR A 13 12.607 17.268 -7.564 1.00 43.12 O ATOM 197 CB THR A 13 13.805 17.249 -10.586 1.00 22.20 C ATOM 198 OG1 THR A 13 13.616 15.862 -10.930 1.00 41.01 O ATOM 199 CG2 THR A 13 15.046 17.365 -9.697 1.00 2.21 C ATOM 0 H THR A 13 13.601 19.632 -9.672 1.00 1.13 H new ATOM 0 HA THR A 13 11.725 17.796 -10.659 1.00 52.03 H new ATOM 0 HB THR A 13 13.969 17.844 -11.484 1.00 22.20 H new ATOM 0 HG1 THR A 13 14.429 15.516 -11.353 1.00 41.01 H new ATOM 0 HG21 THR A 13 15.907 16.944 -10.217 1.00 2.21 H new ATOM 0 HG22 THR A 13 15.236 18.415 -9.472 1.00 2.21 H new ATOM 0 HG23 THR A 13 14.881 16.819 -8.768 1.00 2.21 H new ATOM 207 N PRO A 14 11.154 16.012 -8.805 1.00 52.24 N ATOM 208 CA PRO A 14 10.657 15.176 -7.670 1.00 34.40 C ATOM 209 C PRO A 14 11.780 14.640 -6.743 1.00 63.43 C ATOM 210 O PRO A 14 11.595 14.514 -5.522 1.00 73.25 O ATOM 211 CB PRO A 14 9.937 14.021 -8.385 1.00 10.21 C ATOM 212 CG PRO A 14 9.472 14.589 -9.692 1.00 21.31 C ATOM 213 CD PRO A 14 10.477 15.652 -10.082 1.00 34.04 C ATOM 0 HA PRO A 14 10.025 15.754 -6.996 1.00 34.40 H new ATOM 0 HB2 PRO A 14 10.608 13.176 -8.540 1.00 10.21 H new ATOM 0 HB3 PRO A 14 9.097 13.656 -7.794 1.00 10.21 H new ATOM 0 HG2 PRO A 14 9.414 13.812 -10.454 1.00 21.31 H new ATOM 0 HG3 PRO A 14 8.474 15.016 -9.596 1.00 21.31 H new ATOM 0 HD2 PRO A 14 11.189 15.275 -10.816 1.00 34.04 H new ATOM 0 HD3 PRO A 14 9.987 16.517 -10.529 1.00 34.04 H new ATOM 221 N GLU A 15 12.933 14.339 -7.368 1.00 51.11 N ATOM 222 CA GLU A 15 14.182 13.985 -6.677 1.00 31.10 C ATOM 223 C GLU A 15 14.607 15.058 -5.635 1.00 41.41 C ATOM 224 O GLU A 15 14.735 14.726 -4.468 1.00 25.30 O ATOM 225 CB GLU A 15 15.302 13.736 -7.723 1.00 51.43 C ATOM 226 CG GLU A 15 15.017 12.538 -8.656 1.00 62.53 C ATOM 227 CD GLU A 15 16.107 12.299 -9.712 1.00 61.12 C ATOM 228 OE1 GLU A 15 16.061 12.935 -10.785 1.00 54.42 O ATOM 229 OE2 GLU A 15 17.024 11.481 -9.469 1.00 41.12 O ATOM 0 H GLU A 15 13.022 14.335 -8.384 1.00 51.11 H new ATOM 0 HA GLU A 15 14.009 13.068 -6.114 1.00 31.10 H new ATOM 0 HB2 GLU A 15 15.431 14.634 -8.327 1.00 51.43 H new ATOM 0 HB3 GLU A 15 16.244 13.565 -7.202 1.00 51.43 H new ATOM 0 HG2 GLU A 15 14.907 11.638 -8.052 1.00 62.53 H new ATOM 0 HG3 GLU A 15 14.065 12.702 -9.161 1.00 62.53 H new ATOM 236 N ASN A 16 14.779 16.340 -6.056 1.00 44.32 N ATOM 237 CA ASN A 16 15.162 17.471 -5.144 1.00 21.41 C ATOM 238 C ASN A 16 14.101 17.718 -4.040 1.00 30.22 C ATOM 239 O ASN A 16 14.454 17.892 -2.852 1.00 64.30 O ATOM 240 CB ASN A 16 15.409 18.783 -5.946 1.00 63.44 C ATOM 241 CG ASN A 16 16.679 18.756 -6.800 1.00 53.33 C ATOM 242 OD1 ASN A 16 17.648 18.077 -6.478 1.00 5.53 O ATOM 243 ND2 ASN A 16 16.698 19.520 -7.872 1.00 41.24 N ATOM 0 H ASN A 16 14.659 16.625 -7.028 1.00 44.32 H new ATOM 0 HA ASN A 16 16.091 17.175 -4.656 1.00 21.41 H new ATOM 0 HB2 ASN A 16 14.552 18.969 -6.593 1.00 63.44 H new ATOM 0 HB3 ASN A 16 15.469 19.618 -5.248 1.00 63.44 H new ATOM 0 HD21 ASN A 16 17.533 19.557 -8.457 1.00 41.24 H new ATOM 0 HD22 ASN A 16 15.878 20.075 -8.117 1.00 41.24 H new ATOM 250 N VAL A 17 12.804 17.716 -4.453 1.00 64.35 N ATOM 251 CA VAL A 17 11.639 17.831 -3.528 1.00 45.10 C ATOM 252 C VAL A 17 11.784 16.840 -2.343 1.00 40.01 C ATOM 253 O VAL A 17 11.638 17.201 -1.172 1.00 34.53 O ATOM 254 CB VAL A 17 10.269 17.549 -4.276 1.00 11.51 C ATOM 255 CG1 VAL A 17 9.053 17.525 -3.306 1.00 44.44 C ATOM 256 CG2 VAL A 17 10.030 18.560 -5.424 1.00 4.31 C ATOM 0 H VAL A 17 12.536 17.635 -5.434 1.00 64.35 H new ATOM 0 HA VAL A 17 11.627 18.854 -3.153 1.00 45.10 H new ATOM 0 HB VAL A 17 10.357 16.552 -4.708 1.00 11.51 H new ATOM 0 HG11 VAL A 17 8.141 17.328 -3.870 1.00 44.44 H new ATOM 0 HG12 VAL A 17 9.196 16.741 -2.563 1.00 44.44 H new ATOM 0 HG13 VAL A 17 8.968 18.489 -2.805 1.00 44.44 H new ATOM 0 HG21 VAL A 17 9.082 18.337 -5.914 1.00 4.31 H new ATOM 0 HG22 VAL A 17 9.999 19.571 -5.018 1.00 4.31 H new ATOM 0 HG23 VAL A 17 10.840 18.485 -6.149 1.00 4.31 H new ATOM 266 N LEU A 18 12.124 15.602 -2.699 1.00 40.53 N ATOM 267 CA LEU A 18 12.345 14.500 -1.756 1.00 73.02 C ATOM 268 C LEU A 18 13.698 14.631 -0.984 1.00 14.14 C ATOM 269 O LEU A 18 13.746 14.365 0.222 1.00 24.21 O ATOM 270 CB LEU A 18 12.237 13.191 -2.571 1.00 75.05 C ATOM 271 CG LEU A 18 12.562 11.855 -1.853 1.00 23.33 C ATOM 272 CD1 LEU A 18 11.907 11.753 -0.469 1.00 1.25 C ATOM 273 CD2 LEU A 18 12.146 10.676 -2.732 1.00 40.12 C ATOM 0 H LEU A 18 12.257 15.328 -3.673 1.00 40.53 H new ATOM 0 HA LEU A 18 11.593 14.514 -0.967 1.00 73.02 H new ATOM 0 HB2 LEU A 18 11.221 13.123 -2.959 1.00 75.05 H new ATOM 0 HB3 LEU A 18 12.901 13.278 -3.431 1.00 75.05 H new ATOM 0 HG LEU A 18 13.640 11.827 -1.692 1.00 23.33 H new ATOM 0 HD11 LEU A 18 12.168 10.798 -0.012 1.00 1.25 H new ATOM 0 HD12 LEU A 18 12.263 12.567 0.163 1.00 1.25 H new ATOM 0 HD13 LEU A 18 10.824 11.821 -0.573 1.00 1.25 H new ATOM 0 HD21 LEU A 18 12.378 9.742 -2.221 1.00 40.12 H new ATOM 0 HD22 LEU A 18 11.075 10.727 -2.927 1.00 40.12 H new ATOM 0 HD23 LEU A 18 12.689 10.717 -3.676 1.00 40.12 H new ATOM 285 N GLN A 19 14.768 15.092 -1.666 1.00 21.11 N ATOM 286 CA GLN A 19 16.114 15.275 -1.048 1.00 42.12 C ATOM 287 C GLN A 19 16.078 16.280 0.123 1.00 10.13 C ATOM 288 O GLN A 19 16.941 16.235 0.997 1.00 15.52 O ATOM 289 CB GLN A 19 17.162 15.763 -2.087 1.00 14.13 C ATOM 290 CG GLN A 19 17.564 14.745 -3.165 1.00 3.44 C ATOM 291 CD GLN A 19 18.547 15.303 -4.208 1.00 62.43 C ATOM 292 OE1 GLN A 19 18.500 14.940 -5.378 1.00 75.04 O ATOM 293 NE2 GLN A 19 19.472 16.154 -3.794 1.00 1.12 N ATOM 0 H GLN A 19 14.732 15.348 -2.653 1.00 21.11 H new ATOM 0 HA GLN A 19 16.406 14.295 -0.671 1.00 42.12 H new ATOM 0 HB2 GLN A 19 16.768 16.650 -2.582 1.00 14.13 H new ATOM 0 HB3 GLN A 19 18.060 16.069 -1.551 1.00 14.13 H new ATOM 0 HG2 GLN A 19 18.014 13.877 -2.683 1.00 3.44 H new ATOM 0 HG3 GLN A 19 16.666 14.396 -3.675 1.00 3.44 H new ATOM 0 HE21 GLN A 19 19.496 16.445 -2.817 1.00 1.12 H new ATOM 0 HE22 GLN A 19 20.161 16.519 -4.452 1.00 1.12 H new ATOM 302 N MET A 20 15.091 17.198 0.106 1.00 41.33 N ATOM 303 CA MET A 20 14.896 18.174 1.204 1.00 23.40 C ATOM 304 C MET A 20 14.624 17.482 2.575 1.00 72.23 C ATOM 305 O MET A 20 15.076 17.976 3.611 1.00 71.31 O ATOM 306 CB MET A 20 13.776 19.188 0.853 1.00 53.04 C ATOM 307 CG MET A 20 14.074 20.074 -0.368 1.00 15.24 C ATOM 308 SD MET A 20 12.861 21.399 -0.615 1.00 31.10 S ATOM 309 CE MET A 20 11.340 20.482 -0.852 1.00 34.32 C ATOM 0 H MET A 20 14.416 17.286 -0.654 1.00 41.33 H new ATOM 0 HA MET A 20 15.832 18.723 1.312 1.00 23.40 H new ATOM 0 HB2 MET A 20 12.852 18.640 0.671 1.00 53.04 H new ATOM 0 HB3 MET A 20 13.601 19.829 1.717 1.00 53.04 H new ATOM 0 HG2 MET A 20 15.064 20.516 -0.253 1.00 15.24 H new ATOM 0 HG3 MET A 20 14.105 19.450 -1.261 1.00 15.24 H new ATOM 0 HE1 MET A 20 10.800 20.888 -1.707 1.00 34.32 H new ATOM 0 HE2 MET A 20 11.572 19.433 -1.034 1.00 34.32 H new ATOM 0 HE3 MET A 20 10.721 20.567 0.041 1.00 34.32 H new ATOM 319 N LEU A 21 13.890 16.346 2.589 1.00 33.03 N ATOM 320 CA LEU A 21 13.723 15.543 3.834 1.00 45.33 C ATOM 321 C LEU A 21 14.893 14.545 4.031 1.00 21.24 C ATOM 322 O LEU A 21 15.301 14.289 5.165 1.00 50.24 O ATOM 323 CB LEU A 21 12.312 14.843 3.903 1.00 11.23 C ATOM 324 CG LEU A 21 11.926 13.745 2.832 1.00 20.54 C ATOM 325 CD1 LEU A 21 12.619 12.386 3.083 1.00 23.31 C ATOM 326 CD2 LEU A 21 10.394 13.552 2.733 1.00 12.41 C ATOM 0 H LEU A 21 13.411 15.966 1.773 1.00 33.03 H new ATOM 0 HA LEU A 21 13.759 16.237 4.674 1.00 45.33 H new ATOM 0 HB2 LEU A 21 12.226 14.382 4.887 1.00 11.23 H new ATOM 0 HB3 LEU A 21 11.557 15.627 3.851 1.00 11.23 H new ATOM 0 HG LEU A 21 12.292 14.126 1.879 1.00 20.54 H new ATOM 0 HD11 LEU A 21 12.314 11.675 2.315 1.00 23.31 H new ATOM 0 HD12 LEU A 21 13.701 12.517 3.047 1.00 23.31 H new ATOM 0 HD13 LEU A 21 12.332 12.007 4.064 1.00 23.31 H new ATOM 0 HD21 LEU A 21 10.171 12.790 1.987 1.00 12.41 H new ATOM 0 HD22 LEU A 21 10.004 13.238 3.701 1.00 12.41 H new ATOM 0 HD23 LEU A 21 9.927 14.493 2.442 1.00 12.41 H new ATOM 338 N GLU A 22 15.437 13.998 2.917 1.00 42.24 N ATOM 339 CA GLU A 22 16.501 12.950 2.955 1.00 50.24 C ATOM 340 C GLU A 22 17.829 13.485 3.543 1.00 73.11 C ATOM 341 O GLU A 22 18.542 12.767 4.261 1.00 40.32 O ATOM 342 CB GLU A 22 16.752 12.367 1.542 1.00 12.23 C ATOM 343 CG GLU A 22 15.543 11.659 0.903 1.00 12.13 C ATOM 344 CD GLU A 22 15.878 11.033 -0.459 1.00 54.31 C ATOM 345 OE1 GLU A 22 15.966 11.776 -1.462 1.00 51.12 O ATOM 346 OE2 GLU A 22 16.093 9.803 -0.531 1.00 5.12 O ATOM 0 H GLU A 22 15.158 14.264 1.973 1.00 42.24 H new ATOM 0 HA GLU A 22 16.138 12.160 3.612 1.00 50.24 H new ATOM 0 HB2 GLU A 22 17.070 13.176 0.884 1.00 12.23 H new ATOM 0 HB3 GLU A 22 17.579 11.659 1.600 1.00 12.23 H new ATOM 0 HG2 GLU A 22 15.183 10.882 1.577 1.00 12.13 H new ATOM 0 HG3 GLU A 22 14.731 12.375 0.780 1.00 12.13 H new ATOM 353 N ALA A 23 18.136 14.753 3.226 1.00 75.34 N ATOM 354 CA ALA A 23 19.293 15.479 3.779 1.00 64.41 C ATOM 355 C ALA A 23 19.211 15.564 5.321 1.00 54.43 C ATOM 356 O ALA A 23 20.225 15.456 6.010 1.00 15.01 O ATOM 357 CB ALA A 23 19.364 16.879 3.159 1.00 22.53 C ATOM 0 H ALA A 23 17.584 15.309 2.573 1.00 75.34 H new ATOM 0 HA ALA A 23 20.203 14.933 3.529 1.00 64.41 H new ATOM 0 HB1 ALA A 23 20.220 17.415 3.569 1.00 22.53 H new ATOM 0 HB2 ALA A 23 19.473 16.793 2.078 1.00 22.53 H new ATOM 0 HB3 ALA A 23 18.449 17.426 3.389 1.00 22.53 H new ATOM 363 N HIS A 24 17.976 15.738 5.833 1.00 51.22 N ATOM 364 CA HIS A 24 17.683 15.729 7.280 1.00 54.12 C ATOM 365 C HIS A 24 17.790 14.286 7.854 1.00 70.33 C ATOM 366 O HIS A 24 18.255 14.096 8.986 1.00 64.35 O ATOM 367 CB HIS A 24 16.266 16.326 7.522 1.00 64.12 C ATOM 368 CG HIS A 24 15.895 16.523 8.974 1.00 32.25 C ATOM 369 ND1 HIS A 24 16.120 17.701 9.655 1.00 4.23 N ATOM 370 CD2 HIS A 24 15.305 15.695 9.875 1.00 61.24 C ATOM 371 CE1 HIS A 24 15.697 17.589 10.891 1.00 74.43 C ATOM 372 NE2 HIS A 24 15.196 16.389 11.054 1.00 23.21 N ATOM 0 H HIS A 24 17.151 15.889 5.252 1.00 51.22 H new ATOM 0 HA HIS A 24 18.418 16.343 7.801 1.00 54.12 H new ATOM 0 HB2 HIS A 24 16.201 17.287 7.013 1.00 64.12 H new ATOM 0 HB3 HIS A 24 15.528 15.670 7.060 1.00 64.12 H new ATOM 0 HD2 HIS A 24 14.982 14.680 9.697 1.00 61.24 H new ATOM 0 HE1 HIS A 24 15.752 18.357 11.648 1.00 74.43 H new ATOM 0 HE2 HIS A 24 14.790 16.029 11.918 1.00 23.21 H new ATOM 381 N MET A 25 17.357 13.280 7.051 1.00 53.21 N ATOM 382 CA MET A 25 17.421 11.845 7.435 1.00 73.53 C ATOM 383 C MET A 25 18.876 11.365 7.674 1.00 0.21 C ATOM 384 O MET A 25 19.106 10.485 8.507 1.00 34.13 O ATOM 385 CB MET A 25 16.735 10.926 6.380 1.00 10.25 C ATOM 386 CG MET A 25 15.239 11.194 6.181 1.00 24.41 C ATOM 387 SD MET A 25 14.311 11.124 7.724 1.00 33.33 S ATOM 388 CE MET A 25 12.659 11.510 7.156 1.00 12.41 C ATOM 0 H MET A 25 16.957 13.438 6.126 1.00 53.21 H new ATOM 0 HA MET A 25 16.874 11.766 8.374 1.00 73.53 H new ATOM 0 HB2 MET A 25 17.244 11.049 5.424 1.00 10.25 H new ATOM 0 HB3 MET A 25 16.868 9.887 6.680 1.00 10.25 H new ATOM 0 HG2 MET A 25 15.107 12.176 5.726 1.00 24.41 H new ATOM 0 HG3 MET A 25 14.832 10.462 5.483 1.00 24.41 H new ATOM 0 HE1 MET A 25 12.196 12.222 7.839 1.00 12.41 H new ATOM 0 HE2 MET A 25 12.710 11.945 6.158 1.00 12.41 H new ATOM 0 HE3 MET A 25 12.063 10.598 7.124 1.00 12.41 H new ATOM 398 N GLN A 26 19.839 11.949 6.928 1.00 52.04 N ATOM 399 CA GLN A 26 21.292 11.631 7.069 1.00 71.31 C ATOM 400 C GLN A 26 21.796 11.619 8.550 1.00 43.54 C ATOM 401 O GLN A 26 22.667 10.813 8.900 1.00 60.13 O ATOM 402 CB GLN A 26 22.162 12.605 6.218 1.00 55.44 C ATOM 403 CG GLN A 26 21.786 12.670 4.715 1.00 22.14 C ATOM 404 CD GLN A 26 21.840 11.321 3.975 1.00 74.52 C ATOM 405 OE1 GLN A 26 22.635 10.443 4.290 1.00 31.33 O ATOM 406 NE2 GLN A 26 20.981 11.143 2.987 1.00 53.31 N ATOM 0 H GLN A 26 19.642 12.650 6.214 1.00 52.04 H new ATOM 0 HA GLN A 26 21.405 10.614 6.694 1.00 71.31 H new ATOM 0 HB2 GLN A 26 22.081 13.606 6.642 1.00 55.44 H new ATOM 0 HB3 GLN A 26 23.207 12.306 6.304 1.00 55.44 H new ATOM 0 HG2 GLN A 26 20.779 13.078 4.625 1.00 22.14 H new ATOM 0 HG3 GLN A 26 22.459 13.368 4.217 1.00 22.14 H new ATOM 0 HE21 GLN A 26 20.327 11.886 2.740 1.00 53.31 H new ATOM 0 HE22 GLN A 26 20.972 10.263 2.472 1.00 53.31 H new ATOM 415 N SER A 27 21.230 12.487 9.421 1.00 33.55 N ATOM 416 CA SER A 27 21.628 12.567 10.864 1.00 30.10 C ATOM 417 C SER A 27 20.420 12.631 11.842 1.00 64.04 C ATOM 418 O SER A 27 20.610 12.989 13.014 1.00 20.44 O ATOM 419 CB SER A 27 22.571 13.780 11.098 1.00 31.01 C ATOM 420 OG SER A 27 23.793 13.644 10.383 1.00 62.23 O ATOM 0 H SER A 27 20.496 13.145 9.159 1.00 33.55 H new ATOM 0 HA SER A 27 22.154 11.638 11.086 1.00 30.10 H new ATOM 0 HB2 SER A 27 22.068 14.696 10.788 1.00 31.01 H new ATOM 0 HB3 SER A 27 22.782 13.877 12.163 1.00 31.01 H new ATOM 0 HG SER A 27 24.360 14.425 10.553 1.00 62.23 H new ATOM 426 N TYR A 28 19.190 12.267 11.398 1.00 63.33 N ATOM 427 CA TYR A 28 18.007 12.246 12.313 1.00 23.31 C ATOM 428 C TYR A 28 18.072 11.016 13.275 1.00 22.45 C ATOM 429 O TYR A 28 17.606 11.088 14.421 1.00 65.11 O ATOM 430 CB TYR A 28 16.651 12.271 11.518 1.00 35.05 C ATOM 431 CG TYR A 28 16.011 10.893 11.218 1.00 54.41 C ATOM 432 CD1 TYR A 28 16.573 10.023 10.288 1.00 12.12 C ATOM 433 CD2 TYR A 28 14.856 10.456 11.885 1.00 60.13 C ATOM 434 CE1 TYR A 28 16.029 8.792 10.025 1.00 73.22 C ATOM 435 CE2 TYR A 28 14.311 9.213 11.623 1.00 2.45 C ATOM 436 CZ TYR A 28 14.902 8.390 10.691 1.00 21.54 C ATOM 437 OH TYR A 28 14.362 7.156 10.411 1.00 30.50 O ATOM 0 H TYR A 28 18.988 11.990 10.438 1.00 63.33 H new ATOM 0 HA TYR A 28 18.043 13.154 12.915 1.00 23.31 H new ATOM 0 HB2 TYR A 28 15.934 12.867 12.082 1.00 35.05 H new ATOM 0 HB3 TYR A 28 16.818 12.785 10.571 1.00 35.05 H new ATOM 0 HD1 TYR A 28 17.464 10.326 9.758 1.00 12.12 H new ATOM 0 HD2 TYR A 28 14.386 11.100 12.613 1.00 60.13 H new ATOM 0 HE1 TYR A 28 16.488 8.142 9.295 1.00 73.22 H new ATOM 0 HE2 TYR A 28 13.425 8.889 12.148 1.00 2.45 H new ATOM 0 HH TYR A 28 13.912 6.807 11.209 1.00 30.50 H new ATOM 447 N LYS A 29 18.656 9.899 12.758 1.00 14.44 N ATOM 448 CA LYS A 29 18.788 8.587 13.445 1.00 75.52 C ATOM 449 C LYS A 29 17.415 7.955 13.834 1.00 42.12 C ATOM 450 O LYS A 29 16.900 7.089 13.117 1.00 25.20 O ATOM 451 CB LYS A 29 19.755 8.677 14.665 1.00 62.42 C ATOM 452 CG LYS A 29 19.970 7.345 15.427 1.00 62.44 C ATOM 453 CD LYS A 29 20.566 6.227 14.537 1.00 42.10 C ATOM 454 CE LYS A 29 20.682 4.878 15.271 1.00 21.15 C ATOM 455 NZ LYS A 29 21.265 3.823 14.399 1.00 70.03 N ATOM 0 H LYS A 29 19.060 9.889 11.821 1.00 14.44 H new ATOM 0 HA LYS A 29 19.232 7.905 12.719 1.00 75.52 H new ATOM 0 HB2 LYS A 29 20.722 9.040 14.317 1.00 62.42 H new ATOM 0 HB3 LYS A 29 19.368 9.419 15.363 1.00 62.42 H new ATOM 0 HG2 LYS A 29 20.634 7.520 16.273 1.00 62.44 H new ATOM 0 HG3 LYS A 29 19.017 7.008 15.834 1.00 62.44 H new ATOM 0 HD2 LYS A 29 19.942 6.102 13.652 1.00 42.10 H new ATOM 0 HD3 LYS A 29 21.553 6.533 14.190 1.00 42.10 H new ATOM 0 HE2 LYS A 29 21.302 4.999 16.159 1.00 21.15 H new ATOM 0 HE3 LYS A 29 19.696 4.564 15.612 1.00 21.15 H new ATOM 0 HZ1 LYS A 29 21.327 2.930 14.928 1.00 70.03 H new ATOM 0 HZ2 LYS A 29 20.660 3.689 13.564 1.00 70.03 H new ATOM 0 HZ3 LYS A 29 22.217 4.111 14.094 1.00 70.03 H new ATOM 469 N GLY A 30 16.829 8.401 14.959 1.00 22.41 N ATOM 470 CA GLY A 30 15.587 7.817 15.490 1.00 65.10 C ATOM 471 C GLY A 30 14.694 8.859 16.153 1.00 44.03 C ATOM 472 O GLY A 30 14.420 8.784 17.354 1.00 33.31 O ATOM 0 H GLY A 30 17.199 9.168 15.520 1.00 22.41 H new ATOM 0 HA2 GLY A 30 15.039 7.335 14.680 1.00 65.10 H new ATOM 0 HA3 GLY A 30 15.834 7.040 16.214 1.00 65.10 H new ATOM 476 N ASN A 31 14.228 9.837 15.355 1.00 44.33 N ATOM 477 CA ASN A 31 13.422 10.970 15.863 1.00 14.23 C ATOM 478 C ASN A 31 12.363 11.408 14.810 1.00 34.42 C ATOM 479 O ASN A 31 12.555 12.391 14.096 1.00 33.42 O ATOM 480 CB ASN A 31 14.371 12.142 16.253 1.00 0.31 C ATOM 481 CG ASN A 31 13.694 13.251 17.063 1.00 42.25 C ATOM 482 OD1 ASN A 31 12.788 13.001 17.853 1.00 25.33 O ATOM 483 ND2 ASN A 31 14.123 14.481 16.877 1.00 24.23 N ATOM 0 H ASN A 31 14.395 9.868 14.349 1.00 44.33 H new ATOM 0 HA ASN A 31 12.875 10.659 16.753 1.00 14.23 H new ATOM 0 HB2 ASN A 31 15.205 11.743 16.830 1.00 0.31 H new ATOM 0 HB3 ASN A 31 14.790 12.574 15.344 1.00 0.31 H new ATOM 0 HD21 ASN A 31 13.701 15.252 17.395 1.00 24.23 H new ATOM 0 HD22 ASN A 31 14.877 14.663 16.215 1.00 24.23 H new ATOM 490 N ASP A 32 11.269 10.621 14.710 1.00 64.43 N ATOM 491 CA ASP A 32 10.123 10.860 13.788 1.00 65.22 C ATOM 492 C ASP A 32 10.547 10.898 12.278 1.00 25.03 C ATOM 493 O ASP A 32 10.958 11.945 11.762 1.00 42.32 O ATOM 494 CB ASP A 32 9.342 12.146 14.189 1.00 64.20 C ATOM 495 CG ASP A 32 8.092 12.395 13.322 1.00 54.23 C ATOM 496 OD1 ASP A 32 7.019 11.843 13.641 1.00 31.13 O ATOM 497 OD2 ASP A 32 8.168 13.145 12.323 1.00 5.44 O ATOM 0 H ASP A 32 11.150 9.782 15.278 1.00 64.43 H new ATOM 0 HA ASP A 32 9.456 10.005 13.895 1.00 65.22 H new ATOM 0 HB2 ASP A 32 9.042 12.069 15.234 1.00 64.20 H new ATOM 0 HB3 ASP A 32 10.007 13.006 14.111 1.00 64.20 H new ATOM 502 N PRO A 33 10.478 9.742 11.550 1.00 24.44 N ATOM 503 CA PRO A 33 10.680 9.706 10.090 1.00 71.43 C ATOM 504 C PRO A 33 9.365 9.907 9.282 1.00 45.52 C ATOM 505 O PRO A 33 9.260 10.881 8.530 1.00 73.32 O ATOM 506 CB PRO A 33 11.297 8.307 9.872 1.00 41.54 C ATOM 507 CG PRO A 33 10.841 7.452 11.036 1.00 64.34 C ATOM 508 CD PRO A 33 10.252 8.383 12.092 1.00 13.14 C ATOM 0 HA PRO A 33 11.310 10.520 9.733 1.00 71.43 H new ATOM 0 HB2 PRO A 33 10.967 7.881 8.925 1.00 41.54 H new ATOM 0 HB3 PRO A 33 12.385 8.364 9.835 1.00 41.54 H new ATOM 0 HG2 PRO A 33 10.097 6.726 10.709 1.00 64.34 H new ATOM 0 HG3 PRO A 33 11.678 6.888 11.447 1.00 64.34 H new ATOM 0 HD2 PRO A 33 9.191 8.188 12.247 1.00 13.14 H new ATOM 0 HD3 PRO A 33 10.744 8.253 13.056 1.00 13.14 H new ATOM 516 N LEU A 34 8.361 9.003 9.467 1.00 24.02 N ATOM 517 CA LEU A 34 7.113 8.980 8.656 1.00 60.04 C ATOM 518 C LEU A 34 6.317 10.295 8.763 1.00 23.51 C ATOM 519 O LEU A 34 5.763 10.740 7.772 1.00 21.13 O ATOM 520 CB LEU A 34 6.217 7.760 9.037 1.00 54.51 C ATOM 521 CG LEU A 34 4.878 7.570 8.226 1.00 53.32 C ATOM 522 CD1 LEU A 34 5.115 7.552 6.699 1.00 11.23 C ATOM 523 CD2 LEU A 34 4.115 6.298 8.672 1.00 52.14 C ATOM 0 H LEU A 34 8.396 8.274 10.180 1.00 24.02 H new ATOM 0 HA LEU A 34 7.419 8.874 7.615 1.00 60.04 H new ATOM 0 HB2 LEU A 34 6.813 6.854 8.923 1.00 54.51 H new ATOM 0 HB3 LEU A 34 5.963 7.844 10.094 1.00 54.51 H new ATOM 0 HG LEU A 34 4.257 8.437 8.452 1.00 53.32 H new ATOM 0 HD11 LEU A 34 4.163 7.419 6.185 1.00 11.23 H new ATOM 0 HD12 LEU A 34 5.566 8.495 6.390 1.00 11.23 H new ATOM 0 HD13 LEU A 34 5.783 6.729 6.444 1.00 11.23 H new ATOM 0 HD21 LEU A 34 3.198 6.201 8.091 1.00 52.14 H new ATOM 0 HD22 LEU A 34 4.742 5.422 8.509 1.00 52.14 H new ATOM 0 HD23 LEU A 34 3.867 6.375 9.731 1.00 52.14 H new ATOM 535 N GLY A 35 6.312 10.923 9.954 1.00 44.02 N ATOM 536 CA GLY A 35 5.666 12.228 10.152 1.00 71.13 C ATOM 537 C GLY A 35 6.242 13.324 9.239 1.00 5.53 C ATOM 538 O GLY A 35 5.488 14.079 8.619 1.00 4.12 O ATOM 0 H GLY A 35 6.750 10.544 10.794 1.00 44.02 H new ATOM 0 HA2 GLY A 35 4.597 12.131 9.965 1.00 71.13 H new ATOM 0 HA3 GLY A 35 5.781 12.531 11.193 1.00 71.13 H new ATOM 542 N GLU A 36 7.589 13.363 9.136 1.00 42.41 N ATOM 543 CA GLU A 36 8.322 14.246 8.191 1.00 34.31 C ATOM 544 C GLU A 36 7.966 13.933 6.712 1.00 53.33 C ATOM 545 O GLU A 36 7.767 14.850 5.907 1.00 24.13 O ATOM 546 CB GLU A 36 9.861 14.118 8.416 1.00 13.11 C ATOM 547 CG GLU A 36 10.760 14.960 7.466 1.00 12.21 C ATOM 548 CD GLU A 36 10.637 16.486 7.669 1.00 44.54 C ATOM 549 OE1 GLU A 36 9.661 17.099 7.188 1.00 44.35 O ATOM 550 OE2 GLU A 36 11.518 17.085 8.320 1.00 61.54 O ATOM 0 H GLU A 36 8.204 12.782 9.706 1.00 42.41 H new ATOM 0 HA GLU A 36 8.014 15.272 8.393 1.00 34.31 H new ATOM 0 HB2 GLU A 36 10.083 14.405 9.444 1.00 13.11 H new ATOM 0 HB3 GLU A 36 10.138 13.069 8.311 1.00 13.11 H new ATOM 0 HG2 GLU A 36 11.800 14.667 7.613 1.00 12.21 H new ATOM 0 HG3 GLU A 36 10.504 14.720 6.434 1.00 12.21 H new ATOM 557 N TRP A 37 7.882 12.631 6.369 1.00 63.21 N ATOM 558 CA TRP A 37 7.463 12.179 5.019 1.00 51.25 C ATOM 559 C TRP A 37 6.040 12.674 4.663 1.00 32.13 C ATOM 560 O TRP A 37 5.835 13.236 3.595 1.00 50.23 O ATOM 561 CB TRP A 37 7.517 10.631 4.906 1.00 62.34 C ATOM 562 CG TRP A 37 8.906 10.060 4.713 1.00 31.11 C ATOM 563 CD1 TRP A 37 9.813 9.723 5.675 1.00 2.20 C ATOM 564 CD2 TRP A 37 9.528 9.741 3.460 1.00 14.53 C ATOM 565 NE1 TRP A 37 10.952 9.229 5.100 1.00 5.02 N ATOM 566 CE2 TRP A 37 10.798 9.224 3.745 1.00 63.44 C ATOM 567 CE3 TRP A 37 9.124 9.834 2.124 1.00 74.54 C ATOM 568 CZ2 TRP A 37 11.673 8.814 2.754 1.00 43.24 C ATOM 569 CZ3 TRP A 37 9.996 9.424 1.141 1.00 45.44 C ATOM 570 CH2 TRP A 37 11.257 8.912 1.462 1.00 64.35 C ATOM 0 H TRP A 37 8.099 11.868 7.010 1.00 63.21 H new ATOM 0 HA TRP A 37 8.167 12.614 4.310 1.00 51.25 H new ATOM 0 HB2 TRP A 37 7.083 10.199 5.808 1.00 62.34 H new ATOM 0 HB3 TRP A 37 6.891 10.319 4.070 1.00 62.34 H new ATOM 0 HD1 TRP A 37 9.655 9.831 6.738 1.00 2.20 H new ATOM 0 HE1 TRP A 37 11.782 8.915 5.603 1.00 5.02 H new ATOM 0 HE3 TRP A 37 8.148 10.220 1.869 1.00 74.54 H new ATOM 0 HZ2 TRP A 37 12.652 8.429 2.998 1.00 43.24 H new ATOM 0 HZ3 TRP A 37 9.701 9.499 0.105 1.00 45.44 H new ATOM 0 HH2 TRP A 37 11.914 8.588 0.669 1.00 64.35 H new ATOM 581 N GLU A 38 5.085 12.476 5.590 1.00 50.52 N ATOM 582 CA GLU A 38 3.657 12.839 5.408 1.00 64.43 C ATOM 583 C GLU A 38 3.479 14.352 5.175 1.00 61.50 C ATOM 584 O GLU A 38 2.606 14.768 4.408 1.00 74.11 O ATOM 585 CB GLU A 38 2.828 12.386 6.637 1.00 30.31 C ATOM 586 CG GLU A 38 2.790 10.859 6.842 1.00 63.12 C ATOM 587 CD GLU A 38 2.051 10.433 8.119 1.00 74.32 C ATOM 588 OE1 GLU A 38 0.808 10.329 8.093 1.00 62.21 O ATOM 589 OE2 GLU A 38 2.706 10.229 9.157 1.00 63.22 O ATOM 0 H GLU A 38 5.280 12.055 6.499 1.00 50.52 H new ATOM 0 HA GLU A 38 3.295 12.322 4.520 1.00 64.43 H new ATOM 0 HB2 GLU A 38 3.241 12.852 7.532 1.00 30.31 H new ATOM 0 HB3 GLU A 38 1.807 12.753 6.529 1.00 30.31 H new ATOM 0 HG2 GLU A 38 2.308 10.396 5.981 1.00 63.12 H new ATOM 0 HG3 GLU A 38 3.811 10.479 6.878 1.00 63.12 H new ATOM 596 N ARG A 39 4.325 15.155 5.843 1.00 24.34 N ATOM 597 CA ARG A 39 4.409 16.608 5.605 1.00 30.42 C ATOM 598 C ARG A 39 4.703 16.919 4.123 1.00 11.45 C ATOM 599 O ARG A 39 4.109 17.829 3.557 1.00 54.25 O ATOM 600 CB ARG A 39 5.494 17.247 6.507 1.00 63.43 C ATOM 601 CG ARG A 39 5.142 17.281 8.009 1.00 34.35 C ATOM 602 CD ARG A 39 3.872 18.109 8.287 1.00 75.10 C ATOM 603 NE ARG A 39 3.536 18.170 9.715 1.00 10.15 N ATOM 604 CZ ARG A 39 2.424 18.674 10.209 1.00 70.15 C ATOM 605 NH1 ARG A 39 1.488 19.154 9.443 1.00 54.33 N ATOM 606 NH2 ARG A 39 2.254 18.695 11.484 1.00 14.43 N ATOM 0 H ARG A 39 4.967 14.818 6.560 1.00 24.34 H new ATOM 0 HA ARG A 39 3.440 17.039 5.857 1.00 30.42 H new ATOM 0 HB2 ARG A 39 6.426 16.696 6.378 1.00 63.43 H new ATOM 0 HB3 ARG A 39 5.677 18.266 6.167 1.00 63.43 H new ATOM 0 HG2 ARG A 39 4.997 16.263 8.370 1.00 34.35 H new ATOM 0 HG3 ARG A 39 5.978 17.701 8.568 1.00 34.35 H new ATOM 0 HD2 ARG A 39 4.013 19.121 7.908 1.00 75.10 H new ATOM 0 HD3 ARG A 39 3.035 17.677 7.739 1.00 75.10 H new ATOM 0 HE ARG A 39 4.216 17.793 10.375 1.00 10.15 H new ATOM 0 HH11 ARG A 39 1.604 19.147 8.430 1.00 54.33 H new ATOM 0 HH12 ARG A 39 0.638 19.538 9.856 1.00 54.33 H new ATOM 0 HH21 ARG A 39 2.976 18.324 12.101 1.00 14.43 H new ATOM 0 HH22 ARG A 39 1.397 19.083 11.878 1.00 14.43 H new ATOM 620 N TYR A 40 5.603 16.133 3.508 1.00 43.01 N ATOM 621 CA TYR A 40 5.966 16.282 2.081 1.00 43.10 C ATOM 622 C TYR A 40 4.917 15.657 1.137 1.00 12.53 C ATOM 623 O TYR A 40 4.741 16.157 0.035 1.00 40.23 O ATOM 624 CB TYR A 40 7.368 15.683 1.809 1.00 33.43 C ATOM 625 CG TYR A 40 8.519 16.595 2.248 1.00 52.40 C ATOM 626 CD1 TYR A 40 8.752 16.880 3.596 1.00 5.52 C ATOM 627 CD2 TYR A 40 9.371 17.170 1.307 1.00 2.11 C ATOM 628 CE1 TYR A 40 9.786 17.703 3.982 1.00 32.42 C ATOM 629 CE2 TYR A 40 10.404 17.989 1.695 1.00 41.35 C ATOM 630 CZ TYR A 40 10.611 18.254 3.028 1.00 43.41 C ATOM 631 OH TYR A 40 11.645 19.078 3.411 1.00 64.43 O ATOM 0 H TYR A 40 6.100 15.378 3.981 1.00 43.01 H new ATOM 0 HA TYR A 40 5.990 17.351 1.869 1.00 43.10 H new ATOM 0 HB2 TYR A 40 7.453 14.728 2.328 1.00 33.43 H new ATOM 0 HB3 TYR A 40 7.465 15.476 0.743 1.00 33.43 H new ATOM 0 HD1 TYR A 40 8.110 16.447 4.348 1.00 5.52 H new ATOM 0 HD2 TYR A 40 9.217 16.969 0.257 1.00 2.11 H new ATOM 0 HE1 TYR A 40 9.949 17.915 5.028 1.00 32.42 H new ATOM 0 HE2 TYR A 40 11.054 18.425 0.951 1.00 41.35 H new ATOM 0 HH TYR A 40 11.962 18.814 4.300 1.00 64.43 H new ATOM 641 N ILE A 41 4.234 14.567 1.566 1.00 25.43 N ATOM 642 CA ILE A 41 3.165 13.921 0.752 1.00 23.55 C ATOM 643 C ILE A 41 1.971 14.897 0.545 1.00 64.15 C ATOM 644 O ILE A 41 1.532 15.099 -0.588 1.00 20.34 O ATOM 645 CB ILE A 41 2.678 12.514 1.347 1.00 10.23 C ATOM 646 CG1 ILE A 41 3.595 11.321 0.871 1.00 21.11 C ATOM 647 CG2 ILE A 41 1.189 12.199 0.994 1.00 22.03 C ATOM 648 CD1 ILE A 41 5.049 11.364 1.307 1.00 74.00 C ATOM 0 H ILE A 41 4.400 14.116 2.466 1.00 25.43 H new ATOM 0 HA ILE A 41 3.604 13.694 -0.220 1.00 23.55 H new ATOM 0 HB ILE A 41 2.760 12.610 2.430 1.00 10.23 H new ATOM 0 HG12 ILE A 41 3.158 10.390 1.233 1.00 21.11 H new ATOM 0 HG13 ILE A 41 3.567 11.284 -0.218 1.00 21.11 H new ATOM 0 HG21 ILE A 41 0.910 11.236 1.421 1.00 22.03 H new ATOM 0 HG22 ILE A 41 0.545 12.977 1.404 1.00 22.03 H new ATOM 0 HG23 ILE A 41 1.071 12.164 -0.089 1.00 22.03 H new ATOM 0 HD11 ILE A 41 5.572 10.491 0.917 1.00 74.00 H new ATOM 0 HD12 ILE A 41 5.518 12.270 0.922 1.00 74.00 H new ATOM 0 HD13 ILE A 41 5.103 11.363 2.396 1.00 74.00 H new ATOM 660 N GLN A 42 1.474 15.521 1.635 1.00 61.11 N ATOM 661 CA GLN A 42 0.384 16.525 1.535 1.00 23.31 C ATOM 662 C GLN A 42 0.865 17.815 0.809 1.00 72.43 C ATOM 663 O GLN A 42 0.111 18.422 0.039 1.00 61.12 O ATOM 664 CB GLN A 42 -0.183 16.891 2.934 1.00 35.51 C ATOM 665 CG GLN A 42 0.834 17.555 3.896 1.00 61.33 C ATOM 666 CD GLN A 42 0.183 18.430 4.967 1.00 72.21 C ATOM 667 OE1 GLN A 42 -0.134 17.977 6.062 1.00 74.44 O ATOM 668 NE2 GLN A 42 -0.034 19.693 4.639 1.00 33.34 N ATOM 0 H GLN A 42 1.803 15.352 2.585 1.00 61.11 H new ATOM 0 HA GLN A 42 -0.412 16.069 0.946 1.00 23.31 H new ATOM 0 HB2 GLN A 42 -1.030 17.565 2.802 1.00 35.51 H new ATOM 0 HB3 GLN A 42 -0.567 15.985 3.403 1.00 35.51 H new ATOM 0 HG2 GLN A 42 1.422 16.777 4.383 1.00 61.33 H new ATOM 0 HG3 GLN A 42 1.528 18.163 3.315 1.00 61.33 H new ATOM 0 HE21 GLN A 42 0.243 20.036 3.719 1.00 33.34 H new ATOM 0 HE22 GLN A 42 -0.478 20.324 5.306 1.00 33.34 H new ATOM 677 N TRP A 43 2.138 18.195 1.059 1.00 12.15 N ATOM 678 CA TRP A 43 2.747 19.428 0.514 1.00 73.31 C ATOM 679 C TRP A 43 2.865 19.362 -1.027 1.00 70.10 C ATOM 680 O TRP A 43 2.543 20.312 -1.731 1.00 12.30 O ATOM 681 CB TRP A 43 4.145 19.653 1.149 1.00 65.12 C ATOM 682 CG TRP A 43 4.846 20.922 0.724 1.00 74.01 C ATOM 683 CD1 TRP A 43 4.674 22.176 1.243 1.00 35.01 C ATOM 684 CD2 TRP A 43 5.836 21.050 -0.308 1.00 44.41 C ATOM 685 NE1 TRP A 43 5.474 23.071 0.578 1.00 12.42 N ATOM 686 CE2 TRP A 43 6.197 22.404 -0.372 1.00 51.52 C ATOM 687 CE3 TRP A 43 6.440 20.143 -1.187 1.00 22.21 C ATOM 688 CZ2 TRP A 43 7.137 22.879 -1.279 1.00 11.33 C ATOM 689 CZ3 TRP A 43 7.374 20.615 -2.083 1.00 31.22 C ATOM 690 CH2 TRP A 43 7.714 21.972 -2.126 1.00 42.02 C ATOM 0 H TRP A 43 2.773 17.654 1.646 1.00 12.15 H new ATOM 0 HA TRP A 43 2.098 20.267 0.765 1.00 73.31 H new ATOM 0 HB2 TRP A 43 4.037 19.662 2.234 1.00 65.12 H new ATOM 0 HB3 TRP A 43 4.781 18.804 0.899 1.00 65.12 H new ATOM 0 HD1 TRP A 43 4.007 22.425 2.056 1.00 35.01 H new ATOM 0 HE1 TRP A 43 5.522 24.073 0.763 1.00 12.42 H new ATOM 0 HE3 TRP A 43 6.179 19.095 -1.163 1.00 22.21 H new ATOM 0 HZ2 TRP A 43 7.402 23.925 -1.314 1.00 11.33 H new ATOM 0 HZ3 TRP A 43 7.852 19.926 -2.764 1.00 31.22 H new ATOM 0 HH2 TRP A 43 8.447 22.311 -2.843 1.00 42.02 H new ATOM 701 N VAL A 44 3.346 18.225 -1.526 1.00 13.21 N ATOM 702 CA VAL A 44 3.556 18.002 -2.968 1.00 52.31 C ATOM 703 C VAL A 44 2.201 17.891 -3.739 1.00 23.24 C ATOM 704 O VAL A 44 2.145 18.127 -4.942 1.00 33.34 O ATOM 705 CB VAL A 44 4.470 16.745 -3.198 1.00 14.12 C ATOM 706 CG1 VAL A 44 3.747 15.431 -2.866 1.00 60.30 C ATOM 707 CG2 VAL A 44 5.054 16.720 -4.614 1.00 43.40 C ATOM 0 H VAL A 44 3.604 17.426 -0.946 1.00 13.21 H new ATOM 0 HA VAL A 44 4.072 18.871 -3.377 1.00 52.31 H new ATOM 0 HB VAL A 44 5.303 16.834 -2.501 1.00 14.12 H new ATOM 0 HG11 VAL A 44 4.420 14.591 -3.041 1.00 60.30 H new ATOM 0 HG12 VAL A 44 3.440 15.439 -1.820 1.00 60.30 H new ATOM 0 HG13 VAL A 44 2.867 15.329 -3.501 1.00 60.30 H new ATOM 0 HG21 VAL A 44 5.680 15.836 -4.734 1.00 43.40 H new ATOM 0 HG22 VAL A 44 4.243 16.692 -5.342 1.00 43.40 H new ATOM 0 HG23 VAL A 44 5.655 17.615 -4.776 1.00 43.40 H new ATOM 717 N GLU A 45 1.119 17.542 -3.012 1.00 54.24 N ATOM 718 CA GLU A 45 -0.261 17.564 -3.545 1.00 44.21 C ATOM 719 C GLU A 45 -0.780 19.013 -3.701 1.00 34.43 C ATOM 720 O GLU A 45 -1.239 19.408 -4.775 1.00 2.43 O ATOM 721 CB GLU A 45 -1.208 16.766 -2.607 1.00 71.31 C ATOM 722 CG GLU A 45 -0.937 15.252 -2.542 1.00 14.02 C ATOM 723 CD GLU A 45 -1.412 14.474 -3.783 1.00 71.41 C ATOM 724 OE1 GLU A 45 -0.860 14.681 -4.885 1.00 44.02 O ATOM 725 OE2 GLU A 45 -2.332 13.632 -3.656 1.00 22.51 O ATOM 0 H GLU A 45 1.176 17.237 -2.040 1.00 54.24 H new ATOM 0 HA GLU A 45 -0.247 17.098 -4.530 1.00 44.21 H new ATOM 0 HB2 GLU A 45 -1.129 17.177 -1.601 1.00 71.31 H new ATOM 0 HB3 GLU A 45 -2.236 16.922 -2.935 1.00 71.31 H new ATOM 0 HG2 GLU A 45 0.133 15.091 -2.413 1.00 14.02 H new ATOM 0 HG3 GLU A 45 -1.430 14.843 -1.660 1.00 14.02 H new ATOM 732 N GLU A 46 -0.705 19.793 -2.606 1.00 20.04 N ATOM 733 CA GLU A 46 -1.250 21.170 -2.553 1.00 11.45 C ATOM 734 C GLU A 46 -0.453 22.165 -3.446 1.00 75.12 C ATOM 735 O GLU A 46 -1.042 23.055 -4.065 1.00 12.35 O ATOM 736 CB GLU A 46 -1.301 21.663 -1.079 1.00 22.02 C ATOM 737 CG GLU A 46 0.066 21.752 -0.386 1.00 41.13 C ATOM 738 CD GLU A 46 0.002 22.185 1.085 1.00 42.10 C ATOM 739 OE1 GLU A 46 -0.032 23.401 1.349 1.00 21.31 O ATOM 740 OE2 GLU A 46 0.002 21.309 1.981 1.00 21.40 O ATOM 0 H GLU A 46 -0.268 19.492 -1.735 1.00 20.04 H new ATOM 0 HA GLU A 46 -2.262 21.138 -2.957 1.00 11.45 H new ATOM 0 HB2 GLU A 46 -1.770 22.646 -1.055 1.00 22.02 H new ATOM 0 HB3 GLU A 46 -1.940 20.991 -0.507 1.00 22.02 H new ATOM 0 HG2 GLU A 46 0.554 20.779 -0.445 1.00 41.13 H new ATOM 0 HG3 GLU A 46 0.692 22.457 -0.933 1.00 41.13 H new ATOM 747 N ASN A 47 0.886 21.995 -3.512 1.00 54.40 N ATOM 748 CA ASN A 47 1.777 22.870 -4.317 1.00 4.24 C ATOM 749 C ASN A 47 1.999 22.346 -5.753 1.00 24.13 C ATOM 750 O ASN A 47 2.364 23.125 -6.635 1.00 4.45 O ATOM 751 CB ASN A 47 3.141 23.077 -3.610 1.00 34.53 C ATOM 752 CG ASN A 47 3.003 23.852 -2.298 1.00 64.10 C ATOM 753 OD1 ASN A 47 2.959 25.075 -2.286 1.00 35.10 O ATOM 754 ND2 ASN A 47 2.943 23.162 -1.188 1.00 71.32 N ATOM 0 H ASN A 47 1.380 21.254 -3.014 1.00 54.40 H new ATOM 0 HA ASN A 47 1.265 23.829 -4.399 1.00 4.24 H new ATOM 0 HB2 ASN A 47 3.595 22.106 -3.410 1.00 34.53 H new ATOM 0 HB3 ASN A 47 3.816 23.613 -4.277 1.00 34.53 H new ATOM 0 HD21 ASN A 47 2.858 23.643 -0.293 1.00 71.32 H new ATOM 0 HD22 ASN A 47 2.981 22.143 -1.218 1.00 71.32 H new ATOM 761 N PHE A 48 1.814 21.024 -5.991 1.00 63.41 N ATOM 762 CA PHE A 48 1.910 20.436 -7.365 1.00 15.24 C ATOM 763 C PHE A 48 0.692 19.504 -7.662 1.00 2.43 C ATOM 764 O PHE A 48 0.854 18.287 -7.770 1.00 34.53 O ATOM 765 CB PHE A 48 3.257 19.656 -7.552 1.00 44.24 C ATOM 766 CG PHE A 48 4.512 20.416 -7.115 1.00 13.04 C ATOM 767 CD1 PHE A 48 5.031 21.453 -7.887 1.00 4.03 C ATOM 768 CD2 PHE A 48 5.159 20.104 -5.920 1.00 64.21 C ATOM 769 CE1 PHE A 48 6.159 22.143 -7.478 1.00 14.15 C ATOM 770 CE2 PHE A 48 6.287 20.793 -5.515 1.00 34.44 C ATOM 771 CZ PHE A 48 6.785 21.815 -6.292 1.00 65.35 C ATOM 0 H PHE A 48 1.599 20.344 -5.262 1.00 63.41 H new ATOM 0 HA PHE A 48 1.892 21.260 -8.079 1.00 15.24 H new ATOM 0 HB2 PHE A 48 3.201 18.724 -6.989 1.00 44.24 H new ATOM 0 HB3 PHE A 48 3.361 19.388 -8.603 1.00 44.24 H new ATOM 0 HD1 PHE A 48 4.548 21.721 -8.815 1.00 4.03 H new ATOM 0 HD2 PHE A 48 4.772 19.309 -5.299 1.00 64.21 H new ATOM 0 HE1 PHE A 48 6.551 22.942 -8.090 1.00 14.15 H new ATOM 0 HE2 PHE A 48 6.777 20.530 -4.590 1.00 34.44 H new ATOM 0 HZ PHE A 48 7.663 22.358 -5.975 1.00 65.35 H new ATOM 781 N PRO A 49 -0.565 20.058 -7.790 1.00 20.10 N ATOM 782 CA PRO A 49 -1.768 19.248 -8.154 1.00 0.02 C ATOM 783 C PRO A 49 -1.882 18.993 -9.677 1.00 35.11 C ATOM 784 O PRO A 49 -2.762 18.252 -10.127 1.00 73.13 O ATOM 785 CB PRO A 49 -2.928 20.138 -7.659 1.00 44.30 C ATOM 786 CG PRO A 49 -2.427 21.537 -7.866 1.00 44.11 C ATOM 787 CD PRO A 49 -0.931 21.492 -7.581 1.00 55.24 C ATOM 0 HA PRO A 49 -1.746 18.250 -7.715 1.00 0.02 H new ATOM 0 HB2 PRO A 49 -3.842 19.954 -8.224 1.00 44.30 H new ATOM 0 HB3 PRO A 49 -3.158 19.947 -6.611 1.00 44.30 H new ATOM 0 HG2 PRO A 49 -2.621 21.874 -8.884 1.00 44.11 H new ATOM 0 HG3 PRO A 49 -2.931 22.235 -7.198 1.00 44.11 H new ATOM 0 HD2 PRO A 49 -0.377 22.147 -8.253 1.00 55.24 H new ATOM 0 HD3 PRO A 49 -0.709 21.816 -6.564 1.00 55.24 H new ATOM 795 N GLU A 50 -0.991 19.638 -10.451 1.00 70.44 N ATOM 796 CA GLU A 50 -0.953 19.539 -11.921 1.00 31.20 C ATOM 797 C GLU A 50 -0.306 18.214 -12.359 1.00 71.04 C ATOM 798 O GLU A 50 -0.778 17.549 -13.286 1.00 42.24 O ATOM 799 CB GLU A 50 -0.155 20.743 -12.499 1.00 54.43 C ATOM 800 CG GLU A 50 -0.672 22.122 -12.042 1.00 63.32 C ATOM 801 CD GLU A 50 -2.125 22.398 -12.463 1.00 15.55 C ATOM 802 OE1 GLU A 50 -2.356 22.747 -13.639 1.00 72.52 O ATOM 803 OE2 GLU A 50 -3.042 22.264 -11.621 1.00 22.05 O ATOM 0 H GLU A 50 -0.269 20.249 -10.069 1.00 70.44 H new ATOM 0 HA GLU A 50 -1.973 19.562 -12.304 1.00 31.20 H new ATOM 0 HB2 GLU A 50 0.891 20.645 -12.208 1.00 54.43 H new ATOM 0 HB3 GLU A 50 -0.188 20.698 -13.588 1.00 54.43 H new ATOM 0 HG2 GLU A 50 -0.597 22.189 -10.957 1.00 63.32 H new ATOM 0 HG3 GLU A 50 -0.028 22.899 -12.455 1.00 63.32 H new ATOM 810 N ASN A 51 0.781 17.844 -11.661 1.00 21.24 N ATOM 811 CA ASN A 51 1.603 16.666 -11.998 1.00 73.31 C ATOM 812 C ASN A 51 1.739 15.719 -10.779 1.00 72.12 C ATOM 813 O ASN A 51 2.288 16.099 -9.741 1.00 25.24 O ATOM 814 CB ASN A 51 2.997 17.119 -12.487 1.00 53.21 C ATOM 815 CG ASN A 51 2.951 17.967 -13.757 1.00 52.20 C ATOM 816 OD1 ASN A 51 2.848 19.189 -13.699 1.00 74.03 O ATOM 817 ND2 ASN A 51 3.052 17.333 -14.908 1.00 35.34 N ATOM 0 H ASN A 51 1.117 18.354 -10.844 1.00 21.24 H new ATOM 0 HA ASN A 51 1.107 16.116 -12.798 1.00 73.31 H new ATOM 0 HB2 ASN A 51 3.483 17.690 -11.696 1.00 53.21 H new ATOM 0 HB3 ASN A 51 3.613 16.239 -12.670 1.00 53.21 H new ATOM 0 HD21 ASN A 51 3.046 17.859 -15.782 1.00 35.34 H new ATOM 0 HD22 ASN A 51 3.136 16.317 -14.925 1.00 35.34 H new ATOM 824 N LYS A 52 1.241 14.481 -10.940 1.00 2.51 N ATOM 825 CA LYS A 52 1.261 13.432 -9.894 1.00 75.33 C ATOM 826 C LYS A 52 2.647 12.744 -9.789 1.00 40.43 C ATOM 827 O LYS A 52 2.990 12.174 -8.743 1.00 2.43 O ATOM 828 CB LYS A 52 0.150 12.387 -10.210 1.00 52.43 C ATOM 829 CG LYS A 52 -0.090 11.342 -9.100 1.00 20.42 C ATOM 830 CD LYS A 52 -0.600 11.971 -7.784 1.00 40.41 C ATOM 831 CE LYS A 52 -2.009 12.569 -7.912 1.00 2.35 C ATOM 832 NZ LYS A 52 -2.554 13.007 -6.600 1.00 45.14 N ATOM 0 H LYS A 52 0.807 14.172 -11.810 1.00 2.51 H new ATOM 0 HA LYS A 52 1.069 13.899 -8.928 1.00 75.33 H new ATOM 0 HB2 LYS A 52 -0.784 12.916 -10.399 1.00 52.43 H new ATOM 0 HB3 LYS A 52 0.413 11.865 -11.130 1.00 52.43 H new ATOM 0 HG2 LYS A 52 -0.814 10.607 -9.450 1.00 20.42 H new ATOM 0 HG3 LYS A 52 0.839 10.806 -8.905 1.00 20.42 H new ATOM 0 HD2 LYS A 52 -0.603 11.212 -7.002 1.00 40.41 H new ATOM 0 HD3 LYS A 52 0.093 12.751 -7.468 1.00 40.41 H new ATOM 0 HE2 LYS A 52 -1.981 13.419 -8.594 1.00 2.35 H new ATOM 0 HE3 LYS A 52 -2.677 11.829 -8.353 1.00 2.35 H new ATOM 0 HZ1 LYS A 52 -3.461 13.495 -6.746 1.00 45.14 H new ATOM 0 HZ2 LYS A 52 -2.702 12.177 -5.991 1.00 45.14 H new ATOM 0 HZ3 LYS A 52 -1.881 13.656 -6.144 1.00 45.14 H new ATOM 846 N GLU A 53 3.440 12.856 -10.874 1.00 63.13 N ATOM 847 CA GLU A 53 4.796 12.253 -11.001 1.00 53.12 C ATOM 848 C GLU A 53 5.743 12.664 -9.834 1.00 74.41 C ATOM 849 O GLU A 53 6.667 11.923 -9.468 1.00 4.52 O ATOM 850 CB GLU A 53 5.390 12.669 -12.376 1.00 30.14 C ATOM 851 CG GLU A 53 5.536 14.198 -12.573 1.00 31.31 C ATOM 852 CD GLU A 53 5.709 14.613 -14.046 1.00 43.10 C ATOM 853 OE1 GLU A 53 4.686 14.743 -14.754 1.00 62.11 O ATOM 854 OE2 GLU A 53 6.851 14.807 -14.502 1.00 60.23 O ATOM 0 H GLU A 53 3.157 13.376 -11.705 1.00 63.13 H new ATOM 0 HA GLU A 53 4.704 11.168 -10.943 1.00 53.12 H new ATOM 0 HB2 GLU A 53 6.370 12.205 -12.490 1.00 30.14 H new ATOM 0 HB3 GLU A 53 4.755 12.272 -13.168 1.00 30.14 H new ATOM 0 HG2 GLU A 53 4.656 14.695 -12.165 1.00 31.31 H new ATOM 0 HG3 GLU A 53 6.395 14.550 -12.001 1.00 31.31 H new ATOM 861 N TYR A 54 5.474 13.848 -9.252 1.00 60.21 N ATOM 862 CA TYR A 54 6.171 14.350 -8.057 1.00 40.43 C ATOM 863 C TYR A 54 5.855 13.476 -6.815 1.00 51.40 C ATOM 864 O TYR A 54 6.765 12.893 -6.225 1.00 14.54 O ATOM 865 CB TYR A 54 5.784 15.822 -7.787 1.00 41.40 C ATOM 866 CG TYR A 54 6.256 16.836 -8.833 1.00 11.54 C ATOM 867 CD1 TYR A 54 5.619 16.951 -10.062 1.00 22.13 C ATOM 868 CD2 TYR A 54 7.329 17.696 -8.581 1.00 12.53 C ATOM 869 CE1 TYR A 54 6.032 17.871 -11.004 1.00 75.21 C ATOM 870 CE2 TYR A 54 7.734 18.619 -9.521 1.00 63.13 C ATOM 871 CZ TYR A 54 7.081 18.703 -10.728 1.00 31.20 C ATOM 872 OH TYR A 54 7.478 19.627 -11.667 1.00 22.15 O ATOM 0 H TYR A 54 4.760 14.487 -9.603 1.00 60.21 H new ATOM 0 HA TYR A 54 7.243 14.295 -8.246 1.00 40.43 H new ATOM 0 HB2 TYR A 54 4.698 15.885 -7.711 1.00 41.40 H new ATOM 0 HB3 TYR A 54 6.189 16.113 -6.818 1.00 41.40 H new ATOM 0 HD1 TYR A 54 4.782 16.306 -10.285 1.00 22.13 H new ATOM 0 HD2 TYR A 54 7.848 17.636 -7.636 1.00 12.53 H new ATOM 0 HE1 TYR A 54 5.528 17.934 -11.957 1.00 75.21 H new ATOM 0 HE2 TYR A 54 8.564 19.276 -9.309 1.00 63.13 H new ATOM 0 HH TYR A 54 6.799 20.329 -11.742 1.00 22.15 H new ATOM 882 N LEU A 55 4.551 13.392 -6.460 1.00 63.44 N ATOM 883 CA LEU A 55 4.054 12.608 -5.299 1.00 34.32 C ATOM 884 C LEU A 55 4.507 11.131 -5.351 1.00 52.34 C ATOM 885 O LEU A 55 4.938 10.576 -4.342 1.00 44.44 O ATOM 886 CB LEU A 55 2.498 12.654 -5.231 1.00 35.33 C ATOM 887 CG LEU A 55 1.838 11.766 -4.114 1.00 31.50 C ATOM 888 CD1 LEU A 55 2.114 12.299 -2.696 1.00 71.12 C ATOM 889 CD2 LEU A 55 0.338 11.561 -4.360 1.00 34.30 C ATOM 0 H LEU A 55 3.808 13.868 -6.972 1.00 63.44 H new ATOM 0 HA LEU A 55 4.483 13.068 -4.409 1.00 34.32 H new ATOM 0 HB2 LEU A 55 2.190 13.688 -5.077 1.00 35.33 H new ATOM 0 HB3 LEU A 55 2.101 12.344 -6.198 1.00 35.33 H new ATOM 0 HG LEU A 55 2.315 10.788 -4.177 1.00 31.50 H new ATOM 0 HD11 LEU A 55 1.636 11.649 -1.963 1.00 71.12 H new ATOM 0 HD12 LEU A 55 3.189 12.318 -2.517 1.00 71.12 H new ATOM 0 HD13 LEU A 55 1.713 13.308 -2.602 1.00 71.12 H new ATOM 0 HD21 LEU A 55 -0.080 10.942 -3.566 1.00 34.30 H new ATOM 0 HD22 LEU A 55 -0.165 12.528 -4.369 1.00 34.30 H new ATOM 0 HD23 LEU A 55 0.191 11.067 -5.320 1.00 34.30 H new ATOM 901 N ILE A 56 4.391 10.520 -6.543 1.00 20.31 N ATOM 902 CA ILE A 56 4.719 9.091 -6.762 1.00 63.04 C ATOM 903 C ILE A 56 6.189 8.772 -6.383 1.00 5.44 C ATOM 904 O ILE A 56 6.459 7.715 -5.820 1.00 5.14 O ATOM 905 CB ILE A 56 4.422 8.677 -8.249 1.00 74.53 C ATOM 906 CG1 ILE A 56 2.911 8.905 -8.574 1.00 65.44 C ATOM 907 CG2 ILE A 56 4.831 7.209 -8.523 1.00 10.13 C ATOM 908 CD1 ILE A 56 2.528 8.670 -10.022 1.00 1.32 C ATOM 0 H ILE A 56 4.068 10.998 -7.384 1.00 20.31 H new ATOM 0 HA ILE A 56 4.080 8.503 -6.103 1.00 63.04 H new ATOM 0 HB ILE A 56 5.023 9.307 -8.905 1.00 74.53 H new ATOM 0 HG12 ILE A 56 2.315 8.245 -7.944 1.00 65.44 H new ATOM 0 HG13 ILE A 56 2.646 9.927 -8.305 1.00 65.44 H new ATOM 0 HG21 ILE A 56 4.611 6.958 -9.561 1.00 10.13 H new ATOM 0 HG22 ILE A 56 5.898 7.088 -8.339 1.00 10.13 H new ATOM 0 HG23 ILE A 56 4.272 6.546 -7.863 1.00 10.13 H new ATOM 0 HD11 ILE A 56 1.461 8.853 -10.150 1.00 1.32 H new ATOM 0 HD12 ILE A 56 3.092 9.348 -10.662 1.00 1.32 H new ATOM 0 HD13 ILE A 56 2.755 7.640 -10.296 1.00 1.32 H new ATOM 920 N THR A 57 7.106 9.710 -6.682 1.00 40.13 N ATOM 921 CA THR A 57 8.527 9.638 -6.248 1.00 21.55 C ATOM 922 C THR A 57 8.646 9.558 -4.706 1.00 20.44 C ATOM 923 O THR A 57 9.346 8.691 -4.163 1.00 73.34 O ATOM 924 CB THR A 57 9.319 10.878 -6.769 1.00 55.23 C ATOM 925 OG1 THR A 57 9.362 10.852 -8.206 1.00 55.34 O ATOM 926 CG2 THR A 57 10.749 10.969 -6.201 1.00 42.34 C ATOM 0 H THR A 57 6.890 10.542 -7.231 1.00 40.13 H new ATOM 0 HA THR A 57 8.953 8.729 -6.673 1.00 21.55 H new ATOM 0 HB THR A 57 8.789 11.764 -6.420 1.00 55.23 H new ATOM 0 HG1 THR A 57 8.514 11.187 -8.565 1.00 55.34 H new ATOM 0 HG21 THR A 57 11.245 11.853 -6.603 1.00 42.34 H new ATOM 0 HG22 THR A 57 10.705 11.040 -5.114 1.00 42.34 H new ATOM 0 HG23 THR A 57 11.310 10.078 -6.484 1.00 42.34 H new ATOM 934 N LEU A 58 7.936 10.474 -4.025 1.00 52.21 N ATOM 935 CA LEU A 58 7.853 10.517 -2.543 1.00 75.54 C ATOM 936 C LEU A 58 7.327 9.167 -1.972 1.00 32.02 C ATOM 937 O LEU A 58 7.808 8.703 -0.953 1.00 24.21 O ATOM 938 CB LEU A 58 6.937 11.703 -2.076 1.00 33.24 C ATOM 939 CG LEU A 58 7.560 13.150 -2.064 1.00 43.15 C ATOM 940 CD1 LEU A 58 8.626 13.293 -0.961 1.00 21.42 C ATOM 941 CD2 LEU A 58 8.131 13.568 -3.442 1.00 14.31 C ATOM 0 H LEU A 58 7.399 11.211 -4.483 1.00 52.21 H new ATOM 0 HA LEU A 58 8.859 10.680 -2.155 1.00 75.54 H new ATOM 0 HB2 LEU A 58 6.058 11.722 -2.721 1.00 33.24 H new ATOM 0 HB3 LEU A 58 6.588 11.480 -1.068 1.00 33.24 H new ATOM 0 HG LEU A 58 6.741 13.834 -1.841 1.00 43.15 H new ATOM 0 HD11 LEU A 58 9.036 14.303 -0.980 1.00 21.42 H new ATOM 0 HD12 LEU A 58 8.171 13.104 0.011 1.00 21.42 H new ATOM 0 HD13 LEU A 58 9.426 12.573 -1.133 1.00 21.42 H new ATOM 0 HD21 LEU A 58 8.547 14.573 -3.374 1.00 14.31 H new ATOM 0 HD22 LEU A 58 8.915 12.870 -3.738 1.00 14.31 H new ATOM 0 HD23 LEU A 58 7.334 13.555 -4.185 1.00 14.31 H new ATOM 953 N LEU A 59 6.370 8.541 -2.684 1.00 50.05 N ATOM 954 CA LEU A 59 5.683 7.298 -2.243 1.00 71.22 C ATOM 955 C LEU A 59 6.524 6.007 -2.474 1.00 34.24 C ATOM 956 O LEU A 59 6.574 5.135 -1.599 1.00 32.13 O ATOM 957 CB LEU A 59 4.322 7.184 -2.968 1.00 23.54 C ATOM 958 CG LEU A 59 3.270 8.282 -2.625 1.00 30.12 C ATOM 959 CD1 LEU A 59 2.042 8.182 -3.556 1.00 1.34 C ATOM 960 CD2 LEU A 59 2.859 8.210 -1.132 1.00 54.41 C ATOM 0 H LEU A 59 6.045 8.881 -3.589 1.00 50.05 H new ATOM 0 HA LEU A 59 5.540 7.376 -1.165 1.00 71.22 H new ATOM 0 HB2 LEU A 59 4.503 7.205 -4.043 1.00 23.54 H new ATOM 0 HB3 LEU A 59 3.890 6.210 -2.737 1.00 23.54 H new ATOM 0 HG LEU A 59 3.730 9.256 -2.792 1.00 30.12 H new ATOM 0 HD11 LEU A 59 1.324 8.959 -3.295 1.00 1.34 H new ATOM 0 HD12 LEU A 59 2.358 8.313 -4.591 1.00 1.34 H new ATOM 0 HD13 LEU A 59 1.576 7.203 -3.440 1.00 1.34 H new ATOM 0 HD21 LEU A 59 2.124 8.987 -0.919 1.00 54.41 H new ATOM 0 HD22 LEU A 59 2.425 7.233 -0.921 1.00 54.41 H new ATOM 0 HD23 LEU A 59 3.738 8.360 -0.505 1.00 54.41 H new ATOM 972 N GLU A 60 7.153 5.869 -3.654 1.00 12.40 N ATOM 973 CA GLU A 60 7.987 4.683 -3.982 1.00 31.04 C ATOM 974 C GLU A 60 9.282 4.613 -3.123 1.00 70.30 C ATOM 975 O GLU A 60 9.736 3.523 -2.766 1.00 52.24 O ATOM 976 CB GLU A 60 8.313 4.643 -5.501 1.00 41.30 C ATOM 977 CG GLU A 60 9.055 5.894 -6.055 1.00 54.13 C ATOM 978 CD GLU A 60 10.456 5.608 -6.617 1.00 64.40 C ATOM 979 OE1 GLU A 60 11.292 5.077 -5.871 1.00 63.24 O ATOM 980 OE2 GLU A 60 10.726 5.908 -7.799 1.00 65.50 O ATOM 0 H GLU A 60 7.104 6.561 -4.402 1.00 12.40 H new ATOM 0 HA GLU A 60 7.401 3.798 -3.733 1.00 31.04 H new ATOM 0 HB2 GLU A 60 8.922 3.761 -5.702 1.00 41.30 H new ATOM 0 HB3 GLU A 60 7.381 4.520 -6.053 1.00 41.30 H new ATOM 0 HG2 GLU A 60 8.447 6.343 -6.841 1.00 54.13 H new ATOM 0 HG3 GLU A 60 9.141 6.632 -5.258 1.00 54.13 H new ATOM 987 N HIS A 61 9.876 5.775 -2.789 1.00 23.12 N ATOM 988 CA HIS A 61 11.032 5.829 -1.855 1.00 21.51 C ATOM 989 C HIS A 61 10.564 5.781 -0.373 1.00 50.43 C ATOM 990 O HIS A 61 11.370 5.537 0.521 1.00 32.35 O ATOM 991 CB HIS A 61 11.897 7.088 -2.112 1.00 52.15 C ATOM 992 CG HIS A 61 12.581 7.111 -3.464 1.00 74.22 C ATOM 993 ND1 HIS A 61 13.701 6.367 -3.752 1.00 62.44 N ATOM 994 CD2 HIS A 61 12.302 7.792 -4.604 1.00 22.12 C ATOM 995 CE1 HIS A 61 14.072 6.584 -4.992 1.00 25.31 C ATOM 996 NE2 HIS A 61 13.241 7.445 -5.532 1.00 2.44 N ATOM 0 H HIS A 61 9.582 6.685 -3.145 1.00 23.12 H new ATOM 0 HA HIS A 61 11.646 4.948 -2.043 1.00 21.51 H new ATOM 0 HB2 HIS A 61 11.266 7.972 -2.022 1.00 52.15 H new ATOM 0 HB3 HIS A 61 12.656 7.158 -1.333 1.00 52.15 H new ATOM 0 HD2 HIS A 61 11.485 8.483 -4.751 1.00 22.12 H new ATOM 0 HE1 HIS A 61 14.919 6.130 -5.485 1.00 25.31 H new ATOM 0 HE2 HIS A 61 13.289 7.797 -6.488 1.00 2.44 H new ATOM 1005 N LEU A 62 9.255 6.029 -0.140 1.00 24.04 N ATOM 1006 CA LEU A 62 8.608 5.919 1.199 1.00 50.12 C ATOM 1007 C LEU A 62 8.518 4.445 1.644 1.00 1.14 C ATOM 1008 O LEU A 62 8.888 4.101 2.777 1.00 3.21 O ATOM 1009 CB LEU A 62 7.193 6.563 1.147 1.00 3.22 C ATOM 1010 CG LEU A 62 6.311 6.511 2.429 1.00 43.44 C ATOM 1011 CD1 LEU A 62 7.033 7.140 3.620 1.00 11.21 C ATOM 1012 CD2 LEU A 62 4.945 7.194 2.185 1.00 15.41 C ATOM 0 H LEU A 62 8.609 6.313 -0.877 1.00 24.04 H new ATOM 0 HA LEU A 62 9.216 6.451 1.931 1.00 50.12 H new ATOM 0 HB2 LEU A 62 7.314 7.610 0.869 1.00 3.22 H new ATOM 0 HB3 LEU A 62 6.638 6.082 0.342 1.00 3.22 H new ATOM 0 HG LEU A 62 6.127 5.463 2.667 1.00 43.44 H new ATOM 0 HD11 LEU A 62 6.393 7.090 4.501 1.00 11.21 H new ATOM 0 HD12 LEU A 62 7.959 6.598 3.812 1.00 11.21 H new ATOM 0 HD13 LEU A 62 7.263 8.182 3.397 1.00 11.21 H new ATOM 0 HD21 LEU A 62 4.346 7.145 3.094 1.00 15.41 H new ATOM 0 HD22 LEU A 62 5.104 8.237 1.910 1.00 15.41 H new ATOM 0 HD23 LEU A 62 4.421 6.682 1.378 1.00 15.41 H new ATOM 1024 N MET A 63 8.023 3.582 0.733 1.00 60.30 N ATOM 1025 CA MET A 63 7.945 2.129 0.979 1.00 11.43 C ATOM 1026 C MET A 63 9.343 1.508 1.124 1.00 34.31 C ATOM 1027 O MET A 63 9.511 0.559 1.876 1.00 30.22 O ATOM 1028 CB MET A 63 7.107 1.408 -0.103 1.00 15.12 C ATOM 1029 CG MET A 63 7.675 1.484 -1.522 1.00 33.43 C ATOM 1030 SD MET A 63 6.481 0.990 -2.774 1.00 70.35 S ATOM 1031 CE MET A 63 5.204 2.221 -2.508 1.00 1.35 C ATOM 0 H MET A 63 7.671 3.868 -0.181 1.00 60.30 H new ATOM 0 HA MET A 63 7.427 1.988 1.928 1.00 11.43 H new ATOM 0 HB2 MET A 63 7.007 0.359 0.176 1.00 15.12 H new ATOM 0 HB3 MET A 63 6.104 1.834 -0.107 1.00 15.12 H new ATOM 0 HG2 MET A 63 8.005 2.503 -1.723 1.00 33.43 H new ATOM 0 HG3 MET A 63 8.555 0.844 -1.592 1.00 33.43 H new ATOM 0 HE1 MET A 63 4.275 1.726 -2.225 1.00 1.35 H new ATOM 0 HE2 MET A 63 5.512 2.898 -1.711 1.00 1.35 H new ATOM 0 HE3 MET A 63 5.048 2.788 -3.426 1.00 1.35 H new ATOM 1041 N LYS A 64 10.339 2.075 0.413 1.00 61.12 N ATOM 1042 CA LYS A 64 11.749 1.660 0.534 1.00 53.50 C ATOM 1043 C LYS A 64 12.424 2.204 1.824 1.00 55.10 C ATOM 1044 O LYS A 64 13.331 1.563 2.360 1.00 41.01 O ATOM 1045 CB LYS A 64 12.550 2.059 -0.737 1.00 44.42 C ATOM 1046 CG LYS A 64 12.242 1.173 -1.971 1.00 61.44 C ATOM 1047 CD LYS A 64 13.182 1.445 -3.178 1.00 42.20 C ATOM 1048 CE LYS A 64 12.781 2.681 -3.994 1.00 13.33 C ATOM 1049 NZ LYS A 64 11.506 2.453 -4.724 1.00 24.53 N ATOM 0 H LYS A 64 10.189 2.829 -0.257 1.00 61.12 H new ATOM 0 HA LYS A 64 11.757 0.573 0.619 1.00 53.50 H new ATOM 0 HB2 LYS A 64 12.330 3.098 -0.983 1.00 44.42 H new ATOM 0 HB3 LYS A 64 13.616 2.002 -0.517 1.00 44.42 H new ATOM 0 HG2 LYS A 64 12.324 0.124 -1.685 1.00 61.44 H new ATOM 0 HG3 LYS A 64 11.210 1.339 -2.279 1.00 61.44 H new ATOM 0 HD2 LYS A 64 14.201 1.574 -2.814 1.00 42.20 H new ATOM 0 HD3 LYS A 64 13.185 0.572 -3.831 1.00 42.20 H new ATOM 0 HE2 LYS A 64 12.675 3.539 -3.330 1.00 13.33 H new ATOM 0 HE3 LYS A 64 13.571 2.923 -4.704 1.00 13.33 H new ATOM 0 HZ1 LYS A 64 11.388 3.185 -5.453 1.00 24.53 H new ATOM 0 HZ2 LYS A 64 11.527 1.516 -5.174 1.00 24.53 H new ATOM 0 HZ3 LYS A 64 10.710 2.498 -4.056 1.00 24.53 H new ATOM 1063 N GLU A 65 11.977 3.377 2.316 1.00 74.21 N ATOM 1064 CA GLU A 65 12.463 3.953 3.600 1.00 24.32 C ATOM 1065 C GLU A 65 12.170 2.993 4.779 1.00 43.33 C ATOM 1066 O GLU A 65 13.064 2.637 5.558 1.00 42.21 O ATOM 1067 CB GLU A 65 11.794 5.332 3.862 1.00 33.22 C ATOM 1068 CG GLU A 65 12.144 6.009 5.212 1.00 22.40 C ATOM 1069 CD GLU A 65 13.637 6.332 5.387 1.00 42.24 C ATOM 1070 OE1 GLU A 65 14.116 7.309 4.771 1.00 33.51 O ATOM 1071 OE2 GLU A 65 14.335 5.608 6.134 1.00 73.41 O ATOM 0 H GLU A 65 11.277 3.951 1.846 1.00 74.21 H new ATOM 0 HA GLU A 65 13.542 4.090 3.523 1.00 24.32 H new ATOM 0 HB2 GLU A 65 12.074 6.009 3.055 1.00 33.22 H new ATOM 0 HB3 GLU A 65 10.713 5.205 3.811 1.00 33.22 H new ATOM 0 HG2 GLU A 65 11.571 6.932 5.302 1.00 22.40 H new ATOM 0 HG3 GLU A 65 11.827 5.357 6.026 1.00 22.40 H new ATOM 1078 N PHE A 66 10.898 2.569 4.873 1.00 34.13 N ATOM 1079 CA PHE A 66 10.410 1.690 5.959 1.00 71.32 C ATOM 1080 C PHE A 66 10.358 0.211 5.543 1.00 14.24 C ATOM 1081 O PHE A 66 9.806 -0.628 6.267 1.00 24.52 O ATOM 1082 CB PHE A 66 9.048 2.196 6.454 1.00 42.12 C ATOM 1083 CG PHE A 66 9.091 3.660 6.861 1.00 74.01 C ATOM 1084 CD1 PHE A 66 9.888 4.064 7.923 1.00 21.24 C ATOM 1085 CD2 PHE A 66 8.377 4.633 6.169 1.00 62.13 C ATOM 1086 CE1 PHE A 66 9.971 5.380 8.281 1.00 52.11 C ATOM 1087 CE2 PHE A 66 8.468 5.958 6.531 1.00 41.53 C ATOM 1088 CZ PHE A 66 9.261 6.329 7.588 1.00 24.51 C ATOM 0 H PHE A 66 10.176 2.824 4.199 1.00 34.13 H new ATOM 0 HA PHE A 66 11.123 1.736 6.782 1.00 71.32 H new ATOM 0 HB2 PHE A 66 8.305 2.061 5.668 1.00 42.12 H new ATOM 0 HB3 PHE A 66 8.726 1.594 7.304 1.00 42.12 H new ATOM 0 HD1 PHE A 66 10.452 3.326 8.475 1.00 21.24 H new ATOM 0 HD2 PHE A 66 7.746 4.346 5.341 1.00 62.13 H new ATOM 0 HE1 PHE A 66 10.596 5.674 9.111 1.00 52.11 H new ATOM 0 HE2 PHE A 66 7.915 6.706 5.983 1.00 41.53 H new ATOM 0 HZ PHE A 66 9.327 7.368 7.875 1.00 24.51 H new ATOM 1098 N LEU A 67 10.929 -0.090 4.363 1.00 52.10 N ATOM 1099 CA LEU A 67 11.194 -1.473 3.925 1.00 24.34 C ATOM 1100 C LEU A 67 12.167 -2.157 4.908 1.00 4.15 C ATOM 1101 O LEU A 67 11.944 -3.290 5.336 1.00 11.41 O ATOM 1102 CB LEU A 67 11.776 -1.484 2.468 1.00 10.21 C ATOM 1103 CG LEU A 67 11.330 -2.662 1.542 1.00 32.55 C ATOM 1104 CD1 LEU A 67 9.787 -2.707 1.390 1.00 11.35 C ATOM 1105 CD2 LEU A 67 12.031 -2.587 0.159 1.00 71.23 C ATOM 0 H LEU A 67 11.219 0.617 3.687 1.00 52.10 H new ATOM 0 HA LEU A 67 10.257 -2.029 3.919 1.00 24.34 H new ATOM 0 HB2 LEU A 67 11.499 -0.547 1.984 1.00 10.21 H new ATOM 0 HB3 LEU A 67 12.864 -1.498 2.536 1.00 10.21 H new ATOM 0 HG LEU A 67 11.640 -3.592 2.019 1.00 32.55 H new ATOM 0 HD11 LEU A 67 9.509 -3.537 0.740 1.00 11.35 H new ATOM 0 HD12 LEU A 67 9.329 -2.844 2.369 1.00 11.35 H new ATOM 0 HD13 LEU A 67 9.437 -1.772 0.953 1.00 11.35 H new ATOM 0 HD21 LEU A 67 11.700 -3.419 -0.462 1.00 71.23 H new ATOM 0 HD22 LEU A 67 11.775 -1.646 -0.328 1.00 71.23 H new ATOM 0 HD23 LEU A 67 13.111 -2.642 0.295 1.00 71.23 H new ATOM 1117 N ASP A 68 13.230 -1.434 5.309 1.00 42.12 N ATOM 1118 CA ASP A 68 14.262 -1.965 6.223 1.00 60.01 C ATOM 1119 C ASP A 68 13.878 -1.705 7.700 1.00 33.45 C ATOM 1120 O ASP A 68 14.471 -2.293 8.614 1.00 32.21 O ATOM 1121 CB ASP A 68 15.623 -1.308 5.899 1.00 64.11 C ATOM 1122 CG ASP A 68 15.964 -1.375 4.404 1.00 32.43 C ATOM 1123 OD1 ASP A 68 16.465 -2.414 3.936 1.00 42.10 O ATOM 1124 OD2 ASP A 68 15.708 -0.392 3.682 1.00 61.51 O ATOM 0 H ASP A 68 13.398 -0.473 5.012 1.00 42.12 H new ATOM 0 HA ASP A 68 14.337 -3.043 6.081 1.00 60.01 H new ATOM 0 HB2 ASP A 68 15.606 -0.266 6.219 1.00 64.11 H new ATOM 0 HB3 ASP A 68 16.408 -1.804 6.470 1.00 64.11 H new ATOM 1129 N LYS A 69 12.892 -0.803 7.919 1.00 24.55 N ATOM 1130 CA LYS A 69 12.322 -0.537 9.255 1.00 42.51 C ATOM 1131 C LYS A 69 11.177 -1.542 9.501 1.00 14.01 C ATOM 1132 O LYS A 69 10.014 -1.274 9.175 1.00 43.34 O ATOM 1133 CB LYS A 69 11.795 0.921 9.367 1.00 40.34 C ATOM 1134 CG LYS A 69 12.733 2.019 8.816 1.00 42.14 C ATOM 1135 CD LYS A 69 14.133 2.032 9.458 1.00 14.33 C ATOM 1136 CE LYS A 69 14.977 3.230 8.990 1.00 3.53 C ATOM 1137 NZ LYS A 69 15.151 3.262 7.512 1.00 63.53 N ATOM 0 H LYS A 69 12.473 -0.243 7.176 1.00 24.55 H new ATOM 0 HA LYS A 69 13.100 -0.656 10.009 1.00 42.51 H new ATOM 0 HB2 LYS A 69 10.843 0.985 8.840 1.00 40.34 H new ATOM 0 HB3 LYS A 69 11.593 1.135 10.417 1.00 40.34 H new ATOM 0 HG2 LYS A 69 12.840 1.884 7.740 1.00 42.14 H new ATOM 0 HG3 LYS A 69 12.266 2.992 8.970 1.00 42.14 H new ATOM 0 HD2 LYS A 69 14.033 2.062 10.543 1.00 14.33 H new ATOM 0 HD3 LYS A 69 14.652 1.106 9.212 1.00 14.33 H new ATOM 0 HE2 LYS A 69 14.502 4.155 9.317 1.00 3.53 H new ATOM 0 HE3 LYS A 69 15.956 3.189 9.467 1.00 3.53 H new ATOM 0 HZ1 LYS A 69 16.164 3.227 7.281 1.00 63.53 H new ATOM 0 HZ2 LYS A 69 14.671 2.443 7.088 1.00 63.53 H new ATOM 0 HZ3 LYS A 69 14.739 4.139 7.133 1.00 63.53 H new ATOM 1151 N LYS A 70 11.531 -2.712 10.044 1.00 42.50 N ATOM 1152 CA LYS A 70 10.623 -3.873 10.144 1.00 22.42 C ATOM 1153 C LYS A 70 9.443 -3.660 11.130 1.00 63.54 C ATOM 1154 O LYS A 70 8.468 -4.411 11.101 1.00 31.41 O ATOM 1155 CB LYS A 70 11.447 -5.134 10.511 1.00 71.02 C ATOM 1156 CG LYS A 70 12.526 -5.498 9.457 1.00 71.25 C ATOM 1157 CD LYS A 70 13.243 -6.839 9.749 1.00 61.52 C ATOM 1158 CE LYS A 70 14.002 -6.851 11.089 1.00 45.31 C ATOM 1159 NZ LYS A 70 14.710 -8.146 11.309 1.00 12.41 N ATOM 0 H LYS A 70 12.459 -2.887 10.430 1.00 42.50 H new ATOM 0 HA LYS A 70 10.155 -4.006 9.169 1.00 22.42 H new ATOM 0 HB2 LYS A 70 11.931 -4.974 11.474 1.00 71.02 H new ATOM 0 HB3 LYS A 70 10.769 -5.979 10.632 1.00 71.02 H new ATOM 0 HG2 LYS A 70 12.059 -5.551 8.473 1.00 71.25 H new ATOM 0 HG3 LYS A 70 13.267 -4.700 9.416 1.00 71.25 H new ATOM 0 HD2 LYS A 70 12.507 -7.643 9.750 1.00 61.52 H new ATOM 0 HD3 LYS A 70 13.944 -7.050 8.942 1.00 61.52 H new ATOM 0 HE2 LYS A 70 14.723 -6.034 11.106 1.00 45.31 H new ATOM 0 HE3 LYS A 70 13.302 -6.675 11.906 1.00 45.31 H new ATOM 0 HZ1 LYS A 70 15.210 -8.118 12.221 1.00 12.41 H new ATOM 0 HZ2 LYS A 70 14.018 -8.923 11.317 1.00 12.41 H new ATOM 0 HZ3 LYS A 70 15.396 -8.301 10.543 1.00 12.41 H new ATOM 1173 N LYS A 71 9.511 -2.626 11.988 1.00 62.40 N ATOM 1174 CA LYS A 71 8.384 -2.287 12.894 1.00 50.43 C ATOM 1175 C LYS A 71 7.238 -1.544 12.155 1.00 24.40 C ATOM 1176 O LYS A 71 6.174 -1.306 12.731 1.00 10.24 O ATOM 1177 CB LYS A 71 8.877 -1.480 14.120 1.00 23.35 C ATOM 1178 CG LYS A 71 9.439 -0.069 13.823 1.00 41.24 C ATOM 1179 CD LYS A 71 9.869 0.655 15.122 1.00 10.22 C ATOM 1180 CE LYS A 71 10.302 2.101 14.890 1.00 63.33 C ATOM 1181 NZ LYS A 71 10.723 2.757 16.153 1.00 51.52 N ATOM 0 H LYS A 71 10.322 -2.013 12.078 1.00 62.40 H new ATOM 0 HA LYS A 71 7.970 -3.229 13.253 1.00 50.43 H new ATOM 0 HB2 LYS A 71 8.048 -1.379 14.821 1.00 23.35 H new ATOM 0 HB3 LYS A 71 9.651 -2.059 14.624 1.00 23.35 H new ATOM 0 HG2 LYS A 71 10.293 -0.150 13.151 1.00 41.24 H new ATOM 0 HG3 LYS A 71 8.683 0.524 13.308 1.00 41.24 H new ATOM 0 HD2 LYS A 71 9.040 0.640 15.830 1.00 10.22 H new ATOM 0 HD3 LYS A 71 10.691 0.106 15.581 1.00 10.22 H new ATOM 0 HE2 LYS A 71 11.125 2.124 14.176 1.00 63.33 H new ATOM 0 HE3 LYS A 71 9.479 2.661 14.446 1.00 63.33 H new ATOM 0 HZ1 LYS A 71 11.010 3.737 15.956 1.00 51.52 H new ATOM 0 HZ2 LYS A 71 9.930 2.757 16.825 1.00 51.52 H new ATOM 0 HZ3 LYS A 71 11.525 2.237 16.564 1.00 51.52 H new ATOM 1195 N TYR A 72 7.468 -1.177 10.882 1.00 1.12 N ATOM 1196 CA TYR A 72 6.418 -0.634 9.983 1.00 55.20 C ATOM 1197 C TYR A 72 5.760 -1.728 9.108 1.00 2.13 C ATOM 1198 O TYR A 72 4.993 -1.389 8.203 1.00 44.34 O ATOM 1199 CB TYR A 72 7.007 0.481 9.081 1.00 75.51 C ATOM 1200 CG TYR A 72 7.272 1.813 9.799 1.00 31.55 C ATOM 1201 CD1 TYR A 72 8.316 1.944 10.715 1.00 60.04 C ATOM 1202 CD2 TYR A 72 6.479 2.944 9.553 1.00 65.00 C ATOM 1203 CE1 TYR A 72 8.560 3.143 11.355 1.00 53.33 C ATOM 1204 CE2 TYR A 72 6.728 4.142 10.191 1.00 61.21 C ATOM 1205 CZ TYR A 72 7.769 4.237 11.090 1.00 74.13 C ATOM 1206 OH TYR A 72 8.024 5.438 11.720 1.00 35.21 O ATOM 0 H TYR A 72 8.385 -1.246 10.441 1.00 1.12 H new ATOM 0 HA TYR A 72 5.638 -0.218 10.621 1.00 55.20 H new ATOM 0 HB2 TYR A 72 7.942 0.124 8.649 1.00 75.51 H new ATOM 0 HB3 TYR A 72 6.321 0.660 8.253 1.00 75.51 H new ATOM 0 HD1 TYR A 72 8.945 1.092 10.927 1.00 60.04 H new ATOM 0 HD2 TYR A 72 5.660 2.876 8.852 1.00 65.00 H new ATOM 0 HE1 TYR A 72 9.371 3.222 12.063 1.00 53.33 H new ATOM 0 HE2 TYR A 72 6.109 5.003 9.987 1.00 61.21 H new ATOM 0 HH TYR A 72 7.375 6.108 11.421 1.00 35.21 H new ATOM 1216 N HIS A 73 6.051 -3.025 9.377 1.00 33.23 N ATOM 1217 CA HIS A 73 5.397 -4.160 8.663 1.00 72.11 C ATOM 1218 C HIS A 73 3.861 -4.013 8.628 1.00 23.25 C ATOM 1219 O HIS A 73 3.259 -4.052 7.578 1.00 3.31 O ATOM 1220 CB HIS A 73 5.753 -5.530 9.309 1.00 14.31 C ATOM 1221 CG HIS A 73 7.110 -6.080 8.963 1.00 13.25 C ATOM 1222 ND1 HIS A 73 7.771 -6.984 9.763 1.00 41.13 N ATOM 1223 CD2 HIS A 73 7.913 -5.886 7.887 1.00 51.33 C ATOM 1224 CE1 HIS A 73 8.909 -7.318 9.204 1.00 15.31 C ATOM 1225 NE2 HIS A 73 9.021 -6.669 8.065 1.00 4.41 N ATOM 0 H HIS A 73 6.731 -3.315 10.080 1.00 33.23 H new ATOM 0 HA HIS A 73 5.781 -4.131 7.643 1.00 72.11 H new ATOM 0 HB2 HIS A 73 5.688 -5.428 10.392 1.00 14.31 H new ATOM 0 HB3 HIS A 73 4.999 -6.259 9.011 1.00 14.31 H new ATOM 0 HD2 HIS A 73 7.715 -5.236 7.048 1.00 51.33 H new ATOM 0 HE1 HIS A 73 9.633 -8.009 9.610 1.00 15.31 H new ATOM 0 HE2 HIS A 73 9.807 -6.738 7.419 1.00 4.41 H new ATOM 1234 N ASN A 74 3.257 -3.785 9.791 1.00 52.42 N ATOM 1235 CA ASN A 74 1.778 -3.782 9.950 1.00 23.24 C ATOM 1236 C ASN A 74 1.251 -2.378 10.296 1.00 45.11 C ATOM 1237 O ASN A 74 0.126 -2.232 10.783 1.00 11.12 O ATOM 1238 CB ASN A 74 1.401 -4.815 11.038 1.00 3.22 C ATOM 1239 CG ASN A 74 1.986 -6.212 10.764 1.00 71.52 C ATOM 1240 OD1 ASN A 74 2.060 -6.626 9.503 1.00 23.22 O flip ATOM 1241 ND2 ASN A 74 2.338 -6.928 11.684 1.00 32.22 N flip ATOM 0 H ASN A 74 3.763 -3.596 10.656 1.00 52.42 H new ATOM 0 HA ASN A 74 1.309 -4.061 9.006 1.00 23.24 H new ATOM 0 HB2 ASN A 74 1.755 -4.461 12.006 1.00 3.22 H new ATOM 0 HB3 ASN A 74 0.315 -4.887 11.103 1.00 3.22 H new ATOM 0 HD21 ASN A 74 2.274 -6.592 12.645 1.00 32.22 H new ATOM 0 HD22 ASN A 74 2.697 -7.863 11.494 1.00 32.22 H new ATOM 1248 N ASP A 75 2.077 -1.348 10.018 1.00 41.14 N ATOM 1249 CA ASP A 75 1.751 0.061 10.310 1.00 61.32 C ATOM 1250 C ASP A 75 0.600 0.560 9.391 1.00 30.53 C ATOM 1251 O ASP A 75 0.790 0.655 8.177 1.00 20.32 O ATOM 1252 CB ASP A 75 3.026 0.920 10.116 1.00 41.54 C ATOM 1253 CG ASP A 75 2.887 2.362 10.629 1.00 13.44 C ATOM 1254 OD1 ASP A 75 2.224 3.190 9.968 1.00 41.15 O ATOM 1255 OD2 ASP A 75 3.437 2.672 11.702 1.00 63.23 O ATOM 0 H ASP A 75 2.991 -1.472 9.583 1.00 41.14 H new ATOM 0 HA ASP A 75 1.409 0.151 11.341 1.00 61.32 H new ATOM 0 HB2 ASP A 75 3.858 0.440 10.631 1.00 41.54 H new ATOM 0 HB3 ASP A 75 3.279 0.944 9.056 1.00 41.54 H new ATOM 1260 N PRO A 76 -0.605 0.918 9.952 1.00 21.00 N ATOM 1261 CA PRO A 76 -1.789 1.300 9.126 1.00 63.11 C ATOM 1262 C PRO A 76 -1.549 2.542 8.219 1.00 4.03 C ATOM 1263 O PRO A 76 -2.127 2.628 7.134 1.00 44.44 O ATOM 1264 CB PRO A 76 -2.901 1.561 10.182 1.00 15.11 C ATOM 1265 CG PRO A 76 -2.165 1.831 11.463 1.00 12.50 C ATOM 1266 CD PRO A 76 -0.911 0.983 11.406 1.00 1.32 C ATOM 0 HA PRO A 76 -2.045 0.518 8.411 1.00 63.11 H new ATOM 0 HB2 PRO A 76 -3.523 2.410 9.898 1.00 15.11 H new ATOM 0 HB3 PRO A 76 -3.562 0.700 10.280 1.00 15.11 H new ATOM 0 HG2 PRO A 76 -1.918 2.888 11.556 1.00 12.50 H new ATOM 0 HG3 PRO A 76 -2.775 1.569 12.327 1.00 12.50 H new ATOM 0 HD2 PRO A 76 -0.094 1.435 11.969 1.00 1.32 H new ATOM 0 HD3 PRO A 76 -1.077 -0.009 11.826 1.00 1.32 H new ATOM 1274 N ARG A 77 -0.672 3.479 8.665 1.00 13.31 N ATOM 1275 CA ARG A 77 -0.341 4.712 7.900 1.00 40.44 C ATOM 1276 C ARG A 77 0.590 4.368 6.718 1.00 73.43 C ATOM 1277 O ARG A 77 0.328 4.763 5.579 1.00 44.01 O ATOM 1278 CB ARG A 77 0.325 5.812 8.795 1.00 33.02 C ATOM 1279 CG ARG A 77 -0.581 6.417 9.897 1.00 52.54 C ATOM 1280 CD ARG A 77 -0.872 5.459 11.066 1.00 15.33 C ATOM 1281 NE ARG A 77 -1.868 6.014 11.985 1.00 64.33 N ATOM 1282 CZ ARG A 77 -2.219 5.502 13.143 1.00 35.24 C ATOM 1283 NH1 ARG A 77 -1.649 4.439 13.619 1.00 22.31 N ATOM 1284 NH2 ARG A 77 -3.142 6.071 13.836 1.00 10.12 N ATOM 0 H ARG A 77 -0.179 3.404 9.555 1.00 13.31 H new ATOM 0 HA ARG A 77 -1.281 5.119 7.527 1.00 40.44 H new ATOM 0 HB2 ARG A 77 1.208 5.383 9.270 1.00 33.02 H new ATOM 0 HB3 ARG A 77 0.671 6.620 8.150 1.00 33.02 H new ATOM 0 HG2 ARG A 77 -0.107 7.317 10.288 1.00 52.54 H new ATOM 0 HG3 ARG A 77 -1.526 6.723 9.448 1.00 52.54 H new ATOM 0 HD2 ARG A 77 -1.228 4.506 10.675 1.00 15.33 H new ATOM 0 HD3 ARG A 77 0.051 5.256 11.609 1.00 15.33 H new ATOM 0 HE ARG A 77 -2.332 6.877 11.700 1.00 64.33 H new ATOM 0 HH11 ARG A 77 -0.908 3.978 13.091 1.00 22.31 H new ATOM 0 HH12 ARG A 77 -1.942 4.064 14.521 1.00 22.31 H new ATOM 0 HH21 ARG A 77 -3.596 6.914 13.485 1.00 10.12 H new ATOM 0 HH22 ARG A 77 -3.419 5.679 14.736 1.00 10.12 H new ATOM 1298 N PHE A 78 1.648 3.598 7.014 1.00 41.53 N ATOM 1299 CA PHE A 78 2.636 3.143 6.012 1.00 61.41 C ATOM 1300 C PHE A 78 1.953 2.346 4.866 1.00 30.03 C ATOM 1301 O PHE A 78 2.197 2.607 3.681 1.00 30.34 O ATOM 1302 CB PHE A 78 3.722 2.282 6.712 1.00 64.44 C ATOM 1303 CG PHE A 78 4.757 1.691 5.764 1.00 61.35 C ATOM 1304 CD1 PHE A 78 5.529 2.523 4.967 1.00 2.41 C ATOM 1305 CD2 PHE A 78 4.946 0.311 5.651 1.00 1.55 C ATOM 1306 CE1 PHE A 78 6.454 2.002 4.099 1.00 14.11 C ATOM 1307 CE2 PHE A 78 5.876 -0.209 4.778 1.00 40.45 C ATOM 1308 CZ PHE A 78 6.630 0.635 4.001 1.00 3.32 C ATOM 0 H PHE A 78 1.847 3.269 7.959 1.00 41.53 H new ATOM 0 HA PHE A 78 3.106 4.018 5.562 1.00 61.41 H new ATOM 0 HB2 PHE A 78 4.234 2.895 7.454 1.00 64.44 H new ATOM 0 HB3 PHE A 78 3.234 1.470 7.251 1.00 64.44 H new ATOM 0 HD1 PHE A 78 5.400 3.593 5.031 1.00 2.41 H new ATOM 0 HD2 PHE A 78 4.354 -0.358 6.258 1.00 1.55 H new ATOM 0 HE1 PHE A 78 7.049 2.665 3.488 1.00 14.11 H new ATOM 0 HE2 PHE A 78 6.012 -1.278 4.705 1.00 40.45 H new ATOM 0 HZ PHE A 78 7.359 0.231 3.314 1.00 3.32 H new ATOM 1318 N ILE A 79 1.084 1.392 5.257 1.00 24.34 N ATOM 1319 CA ILE A 79 0.266 0.601 4.313 1.00 24.03 C ATOM 1320 C ILE A 79 -0.718 1.524 3.549 1.00 12.22 C ATOM 1321 O ILE A 79 -0.863 1.379 2.341 1.00 54.51 O ATOM 1322 CB ILE A 79 -0.496 -0.600 5.042 1.00 4.13 C ATOM 1323 CG1 ILE A 79 0.466 -1.820 5.287 1.00 33.41 C ATOM 1324 CG2 ILE A 79 -1.772 -1.076 4.269 1.00 41.43 C ATOM 1325 CD1 ILE A 79 1.668 -1.567 6.191 1.00 63.23 C ATOM 0 H ILE A 79 0.929 1.148 6.235 1.00 24.34 H new ATOM 0 HA ILE A 79 0.939 0.144 3.587 1.00 24.03 H new ATOM 0 HB ILE A 79 -0.827 -0.203 6.002 1.00 4.13 H new ATOM 0 HG12 ILE A 79 -0.118 -2.634 5.716 1.00 33.41 H new ATOM 0 HG13 ILE A 79 0.833 -2.165 4.320 1.00 33.41 H new ATOM 0 HG21 ILE A 79 -2.244 -1.893 4.815 1.00 41.43 H new ATOM 0 HG22 ILE A 79 -2.473 -0.246 4.179 1.00 41.43 H new ATOM 0 HG23 ILE A 79 -1.488 -1.421 3.275 1.00 41.43 H new ATOM 0 HD11 ILE A 79 2.254 -2.482 6.282 1.00 63.23 H new ATOM 0 HD12 ILE A 79 2.288 -0.781 5.760 1.00 63.23 H new ATOM 0 HD13 ILE A 79 1.323 -1.257 7.177 1.00 63.23 H new ATOM 1337 N SER A 80 -1.350 2.493 4.259 1.00 11.02 N ATOM 1338 CA SER A 80 -2.290 3.483 3.643 1.00 12.11 C ATOM 1339 C SER A 80 -1.644 4.276 2.481 1.00 53.53 C ATOM 1340 O SER A 80 -2.298 4.540 1.471 1.00 2.10 O ATOM 1341 CB SER A 80 -2.814 4.481 4.704 1.00 54.23 C ATOM 1342 OG SER A 80 -3.648 5.486 4.132 1.00 2.52 O ATOM 0 H SER A 80 -1.229 2.615 5.264 1.00 11.02 H new ATOM 0 HA SER A 80 -3.118 2.902 3.237 1.00 12.11 H new ATOM 0 HB2 SER A 80 -3.373 3.938 5.466 1.00 54.23 H new ATOM 0 HB3 SER A 80 -1.969 4.954 5.204 1.00 54.23 H new ATOM 0 HG SER A 80 -3.958 6.093 4.836 1.00 2.52 H new ATOM 1348 N TYR A 81 -0.359 4.650 2.636 1.00 21.13 N ATOM 1349 CA TYR A 81 0.384 5.414 1.599 1.00 53.30 C ATOM 1350 C TYR A 81 0.875 4.516 0.445 1.00 3.40 C ATOM 1351 O TYR A 81 1.130 5.011 -0.660 1.00 54.25 O ATOM 1352 CB TYR A 81 1.546 6.216 2.228 1.00 31.15 C ATOM 1353 CG TYR A 81 1.058 7.409 3.062 1.00 64.12 C ATOM 1354 CD1 TYR A 81 0.512 8.535 2.439 1.00 3.14 C ATOM 1355 CD2 TYR A 81 1.109 7.404 4.455 1.00 53.13 C ATOM 1356 CE1 TYR A 81 0.038 9.600 3.181 1.00 31.22 C ATOM 1357 CE2 TYR A 81 0.640 8.466 5.194 1.00 23.24 C ATOM 1358 CZ TYR A 81 0.105 9.561 4.553 1.00 33.32 C ATOM 1359 OH TYR A 81 -0.376 10.621 5.290 1.00 21.12 O ATOM 0 H TYR A 81 0.192 4.438 3.468 1.00 21.13 H new ATOM 0 HA TYR A 81 -0.318 6.124 1.161 1.00 53.30 H new ATOM 0 HB2 TYR A 81 2.139 5.554 2.860 1.00 31.15 H new ATOM 0 HB3 TYR A 81 2.204 6.576 1.437 1.00 31.15 H new ATOM 0 HD1 TYR A 81 0.460 8.573 1.361 1.00 3.14 H new ATOM 0 HD2 TYR A 81 1.526 6.548 4.965 1.00 53.13 H new ATOM 0 HE1 TYR A 81 -0.384 10.461 2.684 1.00 31.22 H new ATOM 0 HE2 TYR A 81 0.691 8.441 6.272 1.00 23.24 H new ATOM 0 HH TYR A 81 -0.011 10.580 6.198 1.00 21.12 H new ATOM 1369 N CYS A 82 1.014 3.206 0.709 1.00 55.01 N ATOM 1370 CA CYS A 82 1.219 2.202 -0.357 1.00 43.03 C ATOM 1371 C CYS A 82 -0.092 2.005 -1.176 1.00 54.12 C ATOM 1372 O CYS A 82 -0.048 1.868 -2.396 1.00 0.30 O ATOM 1373 CB CYS A 82 1.713 0.861 0.242 1.00 1.32 C ATOM 1374 SG CYS A 82 3.296 0.978 1.112 1.00 1.53 S ATOM 0 H CYS A 82 0.989 2.814 1.650 1.00 55.01 H new ATOM 0 HA CYS A 82 1.990 2.567 -1.036 1.00 43.03 H new ATOM 0 HB2 CYS A 82 0.958 0.484 0.932 1.00 1.32 H new ATOM 0 HB3 CYS A 82 1.805 0.129 -0.560 1.00 1.32 H new ATOM 0 HG CYS A 82 3.130 1.620 2.230 1.00 1.53 H new ATOM 1380 N LEU A 83 -1.256 2.036 -0.482 1.00 60.34 N ATOM 1381 CA LEU A 83 -2.602 1.963 -1.120 1.00 52.31 C ATOM 1382 C LEU A 83 -2.887 3.248 -1.947 1.00 44.33 C ATOM 1383 O LEU A 83 -3.544 3.206 -2.994 1.00 55.43 O ATOM 1384 CB LEU A 83 -3.712 1.776 -0.036 1.00 24.41 C ATOM 1385 CG LEU A 83 -3.560 0.547 0.919 1.00 53.43 C ATOM 1386 CD1 LEU A 83 -4.693 0.498 1.969 1.00 52.21 C ATOM 1387 CD2 LEU A 83 -3.457 -0.777 0.136 1.00 61.44 C ATOM 0 H LEU A 83 -1.293 2.112 0.534 1.00 60.34 H new ATOM 0 HA LEU A 83 -2.612 1.103 -1.790 1.00 52.31 H new ATOM 0 HB2 LEU A 83 -3.748 2.679 0.574 1.00 24.41 H new ATOM 0 HB3 LEU A 83 -4.673 1.696 -0.543 1.00 24.41 H new ATOM 0 HG LEU A 83 -2.622 0.676 1.459 1.00 53.43 H new ATOM 0 HD11 LEU A 83 -4.554 -0.369 2.614 1.00 52.21 H new ATOM 0 HD12 LEU A 83 -4.670 1.406 2.571 1.00 52.21 H new ATOM 0 HD13 LEU A 83 -5.655 0.423 1.463 1.00 52.21 H new ATOM 0 HD21 LEU A 83 -3.353 -1.606 0.836 1.00 61.44 H new ATOM 0 HD22 LEU A 83 -4.358 -0.917 -0.461 1.00 61.44 H new ATOM 0 HD23 LEU A 83 -2.588 -0.745 -0.521 1.00 61.44 H new ATOM 1399 N LYS A 84 -2.382 4.382 -1.434 1.00 33.33 N ATOM 1400 CA LYS A 84 -2.423 5.699 -2.108 1.00 20.14 C ATOM 1401 C LYS A 84 -1.554 5.669 -3.398 1.00 20.43 C ATOM 1402 O LYS A 84 -1.985 6.131 -4.451 1.00 43.42 O ATOM 1403 CB LYS A 84 -1.972 6.811 -1.071 1.00 21.51 C ATOM 1404 CG LYS A 84 -0.967 7.887 -1.555 1.00 73.45 C ATOM 1405 CD LYS A 84 -1.582 8.949 -2.494 1.00 13.52 C ATOM 1406 CE LYS A 84 -2.481 9.947 -1.764 1.00 70.54 C ATOM 1407 NZ LYS A 84 -3.088 10.939 -2.696 1.00 21.14 N ATOM 0 H LYS A 84 -1.925 4.414 -0.523 1.00 33.33 H new ATOM 0 HA LYS A 84 -3.435 5.941 -2.433 1.00 20.14 H new ATOM 0 HB2 LYS A 84 -2.867 7.323 -0.719 1.00 21.51 H new ATOM 0 HB3 LYS A 84 -1.534 6.307 -0.209 1.00 21.51 H new ATOM 0 HG2 LYS A 84 -0.542 8.389 -0.686 1.00 73.45 H new ATOM 0 HG3 LYS A 84 -0.144 7.394 -2.072 1.00 73.45 H new ATOM 0 HD2 LYS A 84 -0.780 9.491 -2.995 1.00 13.52 H new ATOM 0 HD3 LYS A 84 -2.161 8.448 -3.270 1.00 13.52 H new ATOM 0 HE2 LYS A 84 -3.272 9.408 -1.243 1.00 70.54 H new ATOM 0 HE3 LYS A 84 -1.899 10.471 -1.006 1.00 70.54 H new ATOM 0 HZ1 LYS A 84 -4.070 11.127 -2.411 1.00 21.14 H new ATOM 0 HZ2 LYS A 84 -2.543 11.824 -2.664 1.00 21.14 H new ATOM 0 HZ3 LYS A 84 -3.075 10.559 -3.664 1.00 21.14 H new ATOM 1421 N PHE A 85 -0.335 5.102 -3.289 1.00 2.42 N ATOM 1422 CA PHE A 85 0.579 4.890 -4.441 1.00 2.12 C ATOM 1423 C PHE A 85 -0.041 3.943 -5.489 1.00 23.20 C ATOM 1424 O PHE A 85 0.125 4.151 -6.696 1.00 21.04 O ATOM 1425 CB PHE A 85 1.923 4.317 -3.917 1.00 23.21 C ATOM 1426 CG PHE A 85 2.946 3.891 -4.984 1.00 21.13 C ATOM 1427 CD1 PHE A 85 3.819 4.812 -5.554 1.00 24.34 C ATOM 1428 CD2 PHE A 85 3.061 2.555 -5.385 1.00 52.31 C ATOM 1429 CE1 PHE A 85 4.765 4.415 -6.483 1.00 2.14 C ATOM 1430 CE2 PHE A 85 4.002 2.161 -6.315 1.00 34.12 C ATOM 1431 CZ PHE A 85 4.860 3.092 -6.863 1.00 44.24 C ATOM 0 H PHE A 85 0.048 4.777 -2.401 1.00 2.42 H new ATOM 0 HA PHE A 85 0.751 5.847 -4.934 1.00 2.12 H new ATOM 0 HB2 PHE A 85 2.388 5.067 -3.278 1.00 23.21 H new ATOM 0 HB3 PHE A 85 1.705 3.454 -3.289 1.00 23.21 H new ATOM 0 HD1 PHE A 85 3.758 5.852 -5.268 1.00 24.34 H new ATOM 0 HD2 PHE A 85 2.399 1.816 -4.958 1.00 52.31 H new ATOM 0 HE1 PHE A 85 5.433 5.146 -6.913 1.00 2.14 H new ATOM 0 HE2 PHE A 85 4.066 1.125 -6.613 1.00 34.12 H new ATOM 0 HZ PHE A 85 5.602 2.787 -7.586 1.00 44.24 H new ATOM 1441 N ALA A 86 -0.761 2.926 -4.986 1.00 23.33 N ATOM 1442 CA ALA A 86 -1.326 1.831 -5.784 1.00 12.11 C ATOM 1443 C ALA A 86 -2.190 2.322 -6.960 1.00 41.10 C ATOM 1444 O ALA A 86 -1.976 1.931 -8.100 1.00 53.02 O ATOM 1445 CB ALA A 86 -2.147 0.908 -4.881 1.00 73.41 C ATOM 0 H ALA A 86 -0.969 2.843 -3.991 1.00 23.33 H new ATOM 0 HA ALA A 86 -0.487 1.288 -6.219 1.00 12.11 H new ATOM 0 HB1 ALA A 86 -2.566 0.096 -5.475 1.00 73.41 H new ATOM 0 HB2 ALA A 86 -1.505 0.495 -4.103 1.00 73.41 H new ATOM 0 HB3 ALA A 86 -2.956 1.475 -4.421 1.00 73.41 H new ATOM 1451 N GLU A 87 -3.142 3.208 -6.680 1.00 34.10 N ATOM 1452 CA GLU A 87 -4.099 3.703 -7.704 1.00 20.33 C ATOM 1453 C GLU A 87 -3.415 4.484 -8.875 1.00 12.35 C ATOM 1454 O GLU A 87 -4.042 4.733 -9.909 1.00 72.30 O ATOM 1455 CB GLU A 87 -5.164 4.593 -7.022 1.00 45.22 C ATOM 1456 CG GLU A 87 -4.570 5.824 -6.310 1.00 15.53 C ATOM 1457 CD GLU A 87 -5.623 6.787 -5.755 1.00 23.32 C ATOM 1458 OE1 GLU A 87 -6.365 7.383 -6.564 1.00 34.31 O ATOM 1459 OE2 GLU A 87 -5.716 6.955 -4.523 1.00 13.51 O ATOM 0 H GLU A 87 -3.283 3.608 -5.752 1.00 34.10 H new ATOM 0 HA GLU A 87 -4.563 2.826 -8.155 1.00 20.33 H new ATOM 0 HB2 GLU A 87 -5.881 4.927 -7.772 1.00 45.22 H new ATOM 0 HB3 GLU A 87 -5.716 3.995 -6.297 1.00 45.22 H new ATOM 0 HG2 GLU A 87 -3.933 5.487 -5.492 1.00 15.53 H new ATOM 0 HG3 GLU A 87 -3.931 6.363 -7.010 1.00 15.53 H new ATOM 1466 N TYR A 88 -2.136 4.863 -8.700 1.00 3.13 N ATOM 1467 CA TYR A 88 -1.337 5.573 -9.736 1.00 61.15 C ATOM 1468 C TYR A 88 -0.494 4.593 -10.595 1.00 24.14 C ATOM 1469 O TYR A 88 0.244 5.014 -11.483 1.00 45.10 O ATOM 1470 CB TYR A 88 -0.407 6.611 -9.053 1.00 74.15 C ATOM 1471 CG TYR A 88 -1.133 7.576 -8.099 1.00 52.55 C ATOM 1472 CD1 TYR A 88 -2.358 8.153 -8.449 1.00 33.22 C ATOM 1473 CD2 TYR A 88 -0.604 7.896 -6.845 1.00 10.31 C ATOM 1474 CE1 TYR A 88 -3.020 9.008 -7.590 1.00 33.23 C ATOM 1475 CE2 TYR A 88 -1.264 8.750 -5.991 1.00 13.34 C ATOM 1476 CZ TYR A 88 -2.470 9.302 -6.361 1.00 41.44 C ATOM 1477 OH TYR A 88 -3.117 10.169 -5.502 1.00 15.13 O ATOM 0 H TYR A 88 -1.620 4.689 -7.838 1.00 3.13 H new ATOM 0 HA TYR A 88 -2.033 6.078 -10.406 1.00 61.15 H new ATOM 0 HB2 TYR A 88 0.365 6.080 -8.496 1.00 74.15 H new ATOM 0 HB3 TYR A 88 0.099 7.192 -9.824 1.00 74.15 H new ATOM 0 HD1 TYR A 88 -2.795 7.925 -9.410 1.00 33.22 H new ATOM 0 HD2 TYR A 88 0.339 7.466 -6.541 1.00 10.31 H new ATOM 0 HE1 TYR A 88 -3.964 9.444 -7.880 1.00 33.23 H new ATOM 0 HE2 TYR A 88 -0.835 8.988 -5.029 1.00 13.34 H new ATOM 0 HH TYR A 88 -4.004 9.813 -5.285 1.00 15.13 H new ATOM 1487 N ASN A 89 -0.616 3.291 -10.304 1.00 23.23 N ATOM 1488 CA ASN A 89 0.107 2.198 -11.002 1.00 40.44 C ATOM 1489 C ASN A 89 -0.892 1.156 -11.536 1.00 14.02 C ATOM 1490 O ASN A 89 -1.857 0.817 -10.854 1.00 33.41 O ATOM 1491 CB ASN A 89 1.102 1.512 -10.032 1.00 51.15 C ATOM 1492 CG ASN A 89 2.248 2.423 -9.620 1.00 54.01 C ATOM 1493 OD1 ASN A 89 3.339 2.356 -10.168 1.00 2.54 O ATOM 1494 ND2 ASN A 89 2.000 3.300 -8.673 1.00 64.34 N ATOM 0 H ASN A 89 -1.230 2.952 -9.563 1.00 23.23 H new ATOM 0 HA ASN A 89 0.659 2.626 -11.839 1.00 40.44 H new ATOM 0 HB2 ASN A 89 0.566 1.185 -9.141 1.00 51.15 H new ATOM 0 HB3 ASN A 89 1.507 0.618 -10.507 1.00 51.15 H new ATOM 0 HD21 ASN A 89 2.728 3.950 -8.376 1.00 64.34 H new ATOM 0 HD22 ASN A 89 1.079 3.331 -8.235 1.00 64.34 H new ATOM 1501 N SER A 90 -0.643 0.645 -12.749 1.00 3.52 N ATOM 1502 CA SER A 90 -1.506 -0.372 -13.396 1.00 3.24 C ATOM 1503 C SER A 90 -1.194 -1.803 -12.890 1.00 52.44 C ATOM 1504 O SER A 90 -2.112 -2.585 -12.624 1.00 31.32 O ATOM 1505 CB SER A 90 -1.343 -0.301 -14.934 1.00 15.01 C ATOM 1506 OG SER A 90 -2.168 -1.254 -15.600 1.00 64.21 O ATOM 0 H SER A 90 0.160 0.920 -13.315 1.00 3.52 H new ATOM 0 HA SER A 90 -2.539 -0.149 -13.128 1.00 3.24 H new ATOM 0 HB2 SER A 90 -1.594 0.702 -15.280 1.00 15.01 H new ATOM 0 HB3 SER A 90 -0.300 -0.477 -15.197 1.00 15.01 H new ATOM 0 HG SER A 90 -2.039 -1.178 -16.569 1.00 64.21 H new ATOM 1512 N ASP A 91 0.109 -2.119 -12.735 1.00 14.21 N ATOM 1513 CA ASP A 91 0.611 -3.484 -12.382 1.00 42.03 C ATOM 1514 C ASP A 91 0.575 -3.761 -10.842 1.00 24.55 C ATOM 1515 O ASP A 91 1.587 -4.088 -10.205 1.00 61.15 O ATOM 1516 CB ASP A 91 2.040 -3.680 -12.979 1.00 43.41 C ATOM 1517 CG ASP A 91 3.060 -2.616 -12.519 1.00 5.31 C ATOM 1518 OD1 ASP A 91 2.940 -1.440 -12.931 1.00 33.24 O ATOM 1519 OD2 ASP A 91 3.991 -2.950 -11.756 1.00 54.21 O ATOM 0 H ASP A 91 0.857 -1.435 -12.850 1.00 14.21 H new ATOM 0 HA ASP A 91 -0.061 -4.220 -12.823 1.00 42.03 H new ATOM 0 HB2 ASP A 91 2.408 -4.667 -12.699 1.00 43.41 H new ATOM 0 HB3 ASP A 91 1.975 -3.661 -14.067 1.00 43.41 H new ATOM 1524 N LEU A 92 -0.632 -3.661 -10.263 1.00 74.45 N ATOM 1525 CA LEU A 92 -0.859 -3.828 -8.809 1.00 43.04 C ATOM 1526 C LEU A 92 -0.807 -5.288 -8.333 1.00 40.24 C ATOM 1527 O LEU A 92 -0.507 -5.536 -7.159 1.00 64.34 O ATOM 1528 CB LEU A 92 -2.189 -3.163 -8.406 1.00 45.24 C ATOM 1529 CG LEU A 92 -2.237 -1.624 -8.625 1.00 33.24 C ATOM 1530 CD1 LEU A 92 -3.533 -1.003 -8.068 1.00 5.53 C ATOM 1531 CD2 LEU A 92 -0.980 -0.956 -8.031 1.00 51.22 C ATOM 0 H LEU A 92 -1.484 -3.462 -10.787 1.00 74.45 H new ATOM 0 HA LEU A 92 -0.030 -3.330 -8.306 1.00 43.04 H new ATOM 0 HB2 LEU A 92 -2.997 -3.623 -8.975 1.00 45.24 H new ATOM 0 HB3 LEU A 92 -2.381 -3.373 -7.354 1.00 45.24 H new ATOM 0 HG LEU A 92 -2.243 -1.438 -9.699 1.00 33.24 H new ATOM 0 HD11 LEU A 92 -3.525 0.073 -8.242 1.00 5.53 H new ATOM 0 HD12 LEU A 92 -4.393 -1.445 -8.570 1.00 5.53 H new ATOM 0 HD13 LEU A 92 -3.598 -1.197 -6.997 1.00 5.53 H new ATOM 0 HD21 LEU A 92 -1.029 0.121 -8.193 1.00 51.22 H new ATOM 0 HD22 LEU A 92 -0.930 -1.160 -6.961 1.00 51.22 H new ATOM 0 HD23 LEU A 92 -0.091 -1.356 -8.518 1.00 51.22 H new ATOM 1543 N HIS A 93 -1.122 -6.254 -9.220 1.00 14.04 N ATOM 1544 CA HIS A 93 -0.881 -7.687 -8.928 1.00 74.15 C ATOM 1545 C HIS A 93 0.620 -7.963 -8.636 1.00 73.32 C ATOM 1546 O HIS A 93 0.952 -8.913 -7.933 1.00 10.34 O ATOM 1547 CB HIS A 93 -1.402 -8.596 -10.076 1.00 12.31 C ATOM 1548 CG HIS A 93 -0.597 -8.582 -11.352 1.00 5.22 C ATOM 1549 ND1 HIS A 93 -0.784 -7.660 -12.357 1.00 63.23 N ATOM 1550 CD2 HIS A 93 0.387 -9.405 -11.794 1.00 72.13 C ATOM 1551 CE1 HIS A 93 0.043 -7.912 -13.344 1.00 64.21 C ATOM 1552 NE2 HIS A 93 0.761 -8.961 -13.032 1.00 24.33 N ATOM 0 H HIS A 93 -1.539 -6.074 -10.134 1.00 14.04 H new ATOM 0 HA HIS A 93 -1.445 -7.933 -8.028 1.00 74.15 H new ATOM 0 HB2 HIS A 93 -1.445 -9.621 -9.709 1.00 12.31 H new ATOM 0 HB3 HIS A 93 -2.424 -8.299 -10.312 1.00 12.31 H new ATOM 0 HD2 HIS A 93 0.798 -10.253 -11.266 1.00 72.13 H new ATOM 0 HE1 HIS A 93 0.119 -7.348 -14.262 1.00 64.21 H new ATOM 0 HE2 HIS A 93 1.483 -9.380 -13.618 1.00 24.33 H new ATOM 1561 N GLN A 94 1.511 -7.111 -9.194 1.00 41.51 N ATOM 1562 CA GLN A 94 2.964 -7.160 -8.923 1.00 75.21 C ATOM 1563 C GLN A 94 3.315 -6.340 -7.659 1.00 52.12 C ATOM 1564 O GLN A 94 4.075 -6.805 -6.805 1.00 75.51 O ATOM 1565 CB GLN A 94 3.773 -6.618 -10.138 1.00 60.30 C ATOM 1566 CG GLN A 94 3.445 -7.296 -11.485 1.00 74.54 C ATOM 1567 CD GLN A 94 4.416 -6.940 -12.620 1.00 52.05 C ATOM 1568 OE1 GLN A 94 5.605 -6.724 -12.407 1.00 63.21 O ATOM 1569 NE2 GLN A 94 3.913 -6.871 -13.836 1.00 1.51 N ATOM 0 H GLN A 94 1.242 -6.372 -9.843 1.00 41.51 H new ATOM 0 HA GLN A 94 3.234 -8.203 -8.755 1.00 75.21 H new ATOM 0 HB2 GLN A 94 3.589 -5.548 -10.231 1.00 60.30 H new ATOM 0 HB3 GLN A 94 4.836 -6.742 -9.934 1.00 60.30 H new ATOM 0 HG2 GLN A 94 3.447 -8.377 -11.345 1.00 74.54 H new ATOM 0 HG3 GLN A 94 2.435 -7.015 -11.784 1.00 74.54 H new ATOM 0 HE21 GLN A 94 2.921 -7.055 -13.989 1.00 1.51 H new ATOM 0 HE22 GLN A 94 4.515 -6.634 -14.624 1.00 1.51 H new ATOM 1578 N PHE A 95 2.756 -5.116 -7.567 1.00 11.41 N ATOM 1579 CA PHE A 95 3.020 -4.176 -6.450 1.00 41.15 C ATOM 1580 C PHE A 95 2.637 -4.768 -5.068 1.00 13.13 C ATOM 1581 O PHE A 95 3.493 -4.895 -4.185 1.00 63.33 O ATOM 1582 CB PHE A 95 2.281 -2.831 -6.701 1.00 21.11 C ATOM 1583 CG PHE A 95 2.300 -1.877 -5.510 1.00 65.15 C ATOM 1584 CD1 PHE A 95 3.508 -1.447 -4.961 1.00 71.55 C ATOM 1585 CD2 PHE A 95 1.112 -1.439 -4.919 1.00 33.42 C ATOM 1586 CE1 PHE A 95 3.526 -0.616 -3.865 1.00 1.41 C ATOM 1587 CE2 PHE A 95 1.139 -0.603 -3.829 1.00 53.42 C ATOM 1588 CZ PHE A 95 2.344 -0.193 -3.300 1.00 75.35 C ATOM 0 H PHE A 95 2.108 -4.748 -8.264 1.00 11.41 H new ATOM 0 HA PHE A 95 4.095 -3.997 -6.422 1.00 41.15 H new ATOM 0 HB2 PHE A 95 2.735 -2.334 -7.558 1.00 21.11 H new ATOM 0 HB3 PHE A 95 1.245 -3.042 -6.967 1.00 21.11 H new ATOM 0 HD1 PHE A 95 4.440 -1.770 -5.401 1.00 71.55 H new ATOM 0 HD2 PHE A 95 0.163 -1.761 -5.323 1.00 33.42 H new ATOM 0 HE1 PHE A 95 4.469 -0.295 -3.447 1.00 1.41 H new ATOM 0 HE2 PHE A 95 0.214 -0.266 -3.386 1.00 53.42 H new ATOM 0 HZ PHE A 95 2.361 0.461 -2.441 1.00 75.35 H new ATOM 1598 N PHE A 96 1.350 -5.107 -4.891 1.00 2.34 N ATOM 1599 CA PHE A 96 0.848 -5.687 -3.628 1.00 31.20 C ATOM 1600 C PHE A 96 1.502 -7.064 -3.318 1.00 31.52 C ATOM 1601 O PHE A 96 1.580 -7.465 -2.151 1.00 3.34 O ATOM 1602 CB PHE A 96 -0.681 -5.837 -3.669 1.00 10.33 C ATOM 1603 CG PHE A 96 -1.492 -4.541 -3.749 1.00 11.11 C ATOM 1604 CD1 PHE A 96 -1.384 -3.576 -2.752 1.00 14.24 C ATOM 1605 CD2 PHE A 96 -2.398 -4.310 -4.788 1.00 72.03 C ATOM 1606 CE1 PHE A 96 -2.140 -2.423 -2.796 1.00 30.41 C ATOM 1607 CE2 PHE A 96 -3.161 -3.159 -4.824 1.00 32.13 C ATOM 1608 CZ PHE A 96 -3.034 -2.219 -3.826 1.00 23.32 C ATOM 0 H PHE A 96 0.633 -4.990 -5.607 1.00 2.34 H new ATOM 0 HA PHE A 96 1.123 -4.997 -2.830 1.00 31.20 H new ATOM 0 HB2 PHE A 96 -0.940 -6.455 -4.528 1.00 10.33 H new ATOM 0 HB3 PHE A 96 -0.995 -6.381 -2.778 1.00 10.33 H new ATOM 0 HD1 PHE A 96 -0.699 -3.732 -1.932 1.00 14.24 H new ATOM 0 HD2 PHE A 96 -2.503 -5.043 -5.575 1.00 72.03 H new ATOM 0 HE1 PHE A 96 -2.031 -1.678 -2.022 1.00 30.41 H new ATOM 0 HE2 PHE A 96 -3.856 -2.997 -5.634 1.00 32.13 H new ATOM 0 HZ PHE A 96 -3.635 -1.322 -3.850 1.00 23.32 H new ATOM 1618 N GLU A 97 1.942 -7.780 -4.379 1.00 34.50 N ATOM 1619 CA GLU A 97 2.698 -9.044 -4.239 1.00 61.12 C ATOM 1620 C GLU A 97 4.069 -8.790 -3.583 1.00 13.04 C ATOM 1621 O GLU A 97 4.452 -9.506 -2.665 1.00 24.22 O ATOM 1622 CB GLU A 97 2.873 -9.736 -5.615 1.00 71.00 C ATOM 1623 CG GLU A 97 3.559 -11.118 -5.566 1.00 64.23 C ATOM 1624 CD GLU A 97 3.660 -11.784 -6.947 1.00 23.43 C ATOM 1625 OE1 GLU A 97 2.711 -12.497 -7.352 1.00 5.34 O ATOM 1626 OE2 GLU A 97 4.679 -11.587 -7.643 1.00 33.42 O ATOM 0 H GLU A 97 1.784 -7.500 -5.347 1.00 34.50 H new ATOM 0 HA GLU A 97 2.127 -9.710 -3.592 1.00 61.12 H new ATOM 0 HB2 GLU A 97 1.892 -9.850 -6.075 1.00 71.00 H new ATOM 0 HB3 GLU A 97 3.455 -9.081 -6.263 1.00 71.00 H new ATOM 0 HG2 GLU A 97 4.559 -11.007 -5.148 1.00 64.23 H new ATOM 0 HG3 GLU A 97 3.003 -11.771 -4.893 1.00 64.23 H new ATOM 1633 N PHE A 98 4.770 -7.737 -4.052 1.00 50.50 N ATOM 1634 CA PHE A 98 6.055 -7.276 -3.481 1.00 12.53 C ATOM 1635 C PHE A 98 5.906 -6.940 -1.976 1.00 33.13 C ATOM 1636 O PHE A 98 6.740 -7.344 -1.150 1.00 34.55 O ATOM 1637 CB PHE A 98 6.577 -6.054 -4.314 1.00 0.44 C ATOM 1638 CG PHE A 98 7.444 -5.042 -3.555 1.00 33.31 C ATOM 1639 CD1 PHE A 98 8.798 -5.281 -3.300 1.00 12.34 C ATOM 1640 CD2 PHE A 98 6.889 -3.845 -3.087 1.00 41.04 C ATOM 1641 CE1 PHE A 98 9.559 -4.357 -2.601 1.00 44.42 C ATOM 1642 CE2 PHE A 98 7.651 -2.929 -2.389 1.00 73.25 C ATOM 1643 CZ PHE A 98 8.984 -3.183 -2.148 1.00 65.55 C ATOM 0 H PHE A 98 4.458 -7.177 -4.845 1.00 50.50 H new ATOM 0 HA PHE A 98 6.793 -8.076 -3.545 1.00 12.53 H new ATOM 0 HB2 PHE A 98 7.153 -6.435 -5.158 1.00 0.44 H new ATOM 0 HB3 PHE A 98 5.717 -5.527 -4.727 1.00 0.44 H new ATOM 0 HD1 PHE A 98 9.255 -6.194 -3.651 1.00 12.34 H new ATOM 0 HD2 PHE A 98 5.847 -3.634 -3.275 1.00 41.04 H new ATOM 0 HE1 PHE A 98 10.603 -4.554 -2.410 1.00 44.42 H new ATOM 0 HE2 PHE A 98 7.202 -2.014 -2.032 1.00 73.25 H new ATOM 0 HZ PHE A 98 9.580 -2.465 -1.605 1.00 65.55 H new ATOM 1653 N LEU A 99 4.830 -6.201 -1.645 1.00 75.11 N ATOM 1654 CA LEU A 99 4.500 -5.835 -0.258 1.00 43.43 C ATOM 1655 C LEU A 99 4.339 -7.091 0.627 1.00 13.55 C ATOM 1656 O LEU A 99 5.036 -7.231 1.630 1.00 74.21 O ATOM 1657 CB LEU A 99 3.212 -4.971 -0.222 1.00 62.02 C ATOM 1658 CG LEU A 99 3.286 -3.591 -0.959 1.00 15.35 C ATOM 1659 CD1 LEU A 99 1.930 -2.856 -0.899 1.00 31.53 C ATOM 1660 CD2 LEU A 99 4.431 -2.705 -0.403 1.00 52.31 C ATOM 0 H LEU A 99 4.167 -5.842 -2.332 1.00 75.11 H new ATOM 0 HA LEU A 99 5.326 -5.248 0.145 1.00 43.43 H new ATOM 0 HB2 LEU A 99 2.398 -5.550 -0.659 1.00 62.02 H new ATOM 0 HB3 LEU A 99 2.950 -4.789 0.820 1.00 62.02 H new ATOM 0 HG LEU A 99 3.512 -3.792 -2.006 1.00 15.35 H new ATOM 0 HD11 LEU A 99 2.010 -1.901 -1.418 1.00 31.53 H new ATOM 0 HD12 LEU A 99 1.164 -3.466 -1.378 1.00 31.53 H new ATOM 0 HD13 LEU A 99 1.657 -2.681 0.142 1.00 31.53 H new ATOM 0 HD21 LEU A 99 4.450 -1.756 -0.939 1.00 52.31 H new ATOM 0 HD22 LEU A 99 4.264 -2.519 0.658 1.00 52.31 H new ATOM 0 HD23 LEU A 99 5.384 -3.216 -0.536 1.00 52.31 H new ATOM 1672 N TYR A 100 3.462 -8.020 0.199 1.00 73.12 N ATOM 1673 CA TYR A 100 3.185 -9.263 0.951 1.00 73.32 C ATOM 1674 C TYR A 100 4.455 -10.141 1.113 1.00 44.41 C ATOM 1675 O TYR A 100 4.697 -10.693 2.193 1.00 74.33 O ATOM 1676 CB TYR A 100 2.049 -10.078 0.280 1.00 11.33 C ATOM 1677 CG TYR A 100 1.618 -11.297 1.117 1.00 33.40 C ATOM 1678 CD1 TYR A 100 0.769 -11.144 2.219 1.00 32.11 C ATOM 1679 CD2 TYR A 100 2.089 -12.588 0.837 1.00 22.44 C ATOM 1680 CE1 TYR A 100 0.416 -12.224 3.003 1.00 54.34 C ATOM 1681 CE2 TYR A 100 1.727 -13.666 1.618 1.00 2.14 C ATOM 1682 CZ TYR A 100 0.892 -13.477 2.696 1.00 31.42 C ATOM 1683 OH TYR A 100 0.537 -14.546 3.479 1.00 23.10 O ATOM 0 H TYR A 100 2.930 -7.934 -0.667 1.00 73.12 H new ATOM 0 HA TYR A 100 2.860 -8.964 1.948 1.00 73.32 H new ATOM 0 HB2 TYR A 100 1.188 -9.429 0.120 1.00 11.33 H new ATOM 0 HB3 TYR A 100 2.381 -10.416 -0.702 1.00 11.33 H new ATOM 0 HD1 TYR A 100 0.383 -10.164 2.460 1.00 32.11 H new ATOM 0 HD2 TYR A 100 2.747 -12.741 -0.005 1.00 22.44 H new ATOM 0 HE1 TYR A 100 -0.232 -12.085 3.855 1.00 54.34 H new ATOM 0 HE2 TYR A 100 2.097 -14.654 1.385 1.00 2.14 H new ATOM 0 HH TYR A 100 0.955 -15.361 3.129 1.00 23.10 H new ATOM 1693 N ASN A 101 5.260 -10.249 0.034 1.00 33.51 N ATOM 1694 CA ASN A 101 6.523 -11.028 0.045 1.00 12.33 C ATOM 1695 C ASN A 101 7.565 -10.404 1.004 1.00 71.33 C ATOM 1696 O ASN A 101 8.400 -11.117 1.566 1.00 63.05 O ATOM 1697 CB ASN A 101 7.134 -11.153 -1.381 1.00 65.20 C ATOM 1698 CG ASN A 101 6.257 -11.930 -2.369 1.00 11.31 C ATOM 1699 OD1 ASN A 101 5.458 -12.777 -1.985 1.00 43.43 O ATOM 1700 ND2 ASN A 101 6.415 -11.661 -3.656 1.00 75.25 N ATOM 0 H ASN A 101 5.058 -9.805 -0.862 1.00 33.51 H new ATOM 0 HA ASN A 101 6.270 -12.026 0.403 1.00 12.33 H new ATOM 0 HB2 ASN A 101 7.312 -10.153 -1.778 1.00 65.20 H new ATOM 0 HB3 ASN A 101 8.104 -11.645 -1.308 1.00 65.20 H new ATOM 0 HD21 ASN A 101 5.865 -12.163 -4.353 1.00 75.25 H new ATOM 0 HD22 ASN A 101 7.086 -10.952 -3.950 1.00 75.25 H new ATOM 1707 N HIS A 102 7.515 -9.066 1.178 1.00 40.22 N ATOM 1708 CA HIS A 102 8.402 -8.357 2.128 1.00 3.43 C ATOM 1709 C HIS A 102 7.769 -8.256 3.555 1.00 10.23 C ATOM 1710 O HIS A 102 8.315 -7.596 4.443 1.00 13.41 O ATOM 1711 CB HIS A 102 8.767 -6.945 1.578 1.00 70.14 C ATOM 1712 CG HIS A 102 10.064 -6.420 2.137 1.00 24.02 C ATOM 1713 ND1 HIS A 102 10.182 -5.937 3.422 1.00 42.55 N ATOM 1714 CD2 HIS A 102 11.319 -6.421 1.627 1.00 2.22 C ATOM 1715 CE1 HIS A 102 11.438 -5.679 3.680 1.00 13.43 C ATOM 1716 NE2 HIS A 102 12.149 -5.954 2.610 1.00 73.11 N ATOM 0 H HIS A 102 6.872 -8.455 0.675 1.00 40.22 H new ATOM 0 HA HIS A 102 9.317 -8.941 2.226 1.00 3.43 H new ATOM 0 HB2 HIS A 102 8.836 -6.990 0.491 1.00 70.14 H new ATOM 0 HB3 HIS A 102 7.964 -6.248 1.818 1.00 70.14 H new ATOM 0 HD1 HIS A 102 9.408 -5.801 4.073 1.00 42.55 H new ATOM 0 HD2 HIS A 102 11.609 -6.731 0.634 1.00 2.22 H new ATOM 0 HE1 HIS A 102 11.826 -5.303 4.615 1.00 13.43 H new ATOM 1725 N GLY A 103 6.610 -8.903 3.768 1.00 42.30 N ATOM 1726 CA GLY A 103 5.935 -8.907 5.082 1.00 1.14 C ATOM 1727 C GLY A 103 5.198 -7.600 5.407 1.00 40.05 C ATOM 1728 O GLY A 103 4.779 -7.381 6.550 1.00 32.34 O ATOM 0 H GLY A 103 6.119 -9.431 3.047 1.00 42.30 H new ATOM 0 HA2 GLY A 103 5.222 -9.731 5.111 1.00 1.14 H new ATOM 0 HA3 GLY A 103 6.675 -9.098 5.859 1.00 1.14 H new ATOM 1732 N ILE A 104 5.057 -6.727 4.396 1.00 65.35 N ATOM 1733 CA ILE A 104 4.310 -5.461 4.509 1.00 4.21 C ATOM 1734 C ILE A 104 2.789 -5.744 4.395 1.00 21.22 C ATOM 1735 O ILE A 104 2.329 -6.292 3.391 1.00 13.35 O ATOM 1736 CB ILE A 104 4.730 -4.417 3.394 1.00 5.24 C ATOM 1737 CG1 ILE A 104 6.290 -4.230 3.314 1.00 32.21 C ATOM 1738 CG2 ILE A 104 4.009 -3.055 3.585 1.00 24.33 C ATOM 1739 CD1 ILE A 104 6.981 -3.896 4.631 1.00 30.24 C ATOM 0 H ILE A 104 5.460 -6.880 3.472 1.00 65.35 H new ATOM 0 HA ILE A 104 4.547 -5.026 5.480 1.00 4.21 H new ATOM 0 HB ILE A 104 4.407 -4.832 2.439 1.00 5.24 H new ATOM 0 HG12 ILE A 104 6.728 -5.146 2.916 1.00 32.21 H new ATOM 0 HG13 ILE A 104 6.507 -3.436 2.599 1.00 32.21 H new ATOM 0 HG21 ILE A 104 4.322 -2.365 2.802 1.00 24.33 H new ATOM 0 HG22 ILE A 104 2.931 -3.203 3.528 1.00 24.33 H new ATOM 0 HG23 ILE A 104 4.268 -2.640 4.559 1.00 24.33 H new ATOM 0 HD11 ILE A 104 8.053 -3.789 4.463 1.00 30.24 H new ATOM 0 HD12 ILE A 104 6.580 -2.962 5.026 1.00 30.24 H new ATOM 0 HD13 ILE A 104 6.805 -4.698 5.348 1.00 30.24 H new ATOM 1751 N GLY A 105 2.048 -5.379 5.449 1.00 11.24 N ATOM 1752 CA GLY A 105 0.589 -5.457 5.496 1.00 44.33 C ATOM 1753 C GLY A 105 0.016 -6.821 5.867 1.00 33.12 C ATOM 1754 O GLY A 105 -1.160 -7.077 5.595 1.00 34.13 O ATOM 0 H GLY A 105 2.458 -5.014 6.309 1.00 11.24 H new ATOM 0 HA2 GLY A 105 0.226 -4.722 6.215 1.00 44.33 H new ATOM 0 HA3 GLY A 105 0.196 -5.170 4.521 1.00 44.33 H new ATOM 1758 N THR A 106 0.819 -7.682 6.522 1.00 64.32 N ATOM 1759 CA THR A 106 0.382 -9.051 6.900 1.00 54.52 C ATOM 1760 C THR A 106 -0.707 -9.052 8.002 1.00 52.44 C ATOM 1761 O THR A 106 -1.530 -9.970 8.054 1.00 23.24 O ATOM 1762 CB THR A 106 1.573 -9.946 7.355 1.00 13.42 C ATOM 1763 OG1 THR A 106 2.202 -9.366 8.504 1.00 0.41 O ATOM 1764 CG2 THR A 106 2.612 -10.137 6.235 1.00 74.04 C ATOM 0 H THR A 106 1.774 -7.459 6.803 1.00 64.32 H new ATOM 0 HA THR A 106 -0.050 -9.471 5.991 1.00 54.52 H new ATOM 0 HB THR A 106 1.172 -10.928 7.605 1.00 13.42 H new ATOM 0 HG1 THR A 106 1.944 -8.423 8.577 1.00 0.41 H new ATOM 0 HG21 THR A 106 3.425 -10.767 6.596 1.00 74.04 H new ATOM 0 HG22 THR A 106 2.138 -10.612 5.376 1.00 74.04 H new ATOM 0 HG23 THR A 106 3.010 -9.167 5.939 1.00 74.04 H new ATOM 1772 N LEU A 107 -0.694 -8.030 8.890 1.00 2.13 N ATOM 1773 CA LEU A 107 -1.776 -7.811 9.892 1.00 43.41 C ATOM 1774 C LEU A 107 -2.647 -6.580 9.542 1.00 62.41 C ATOM 1775 O LEU A 107 -3.428 -6.103 10.375 1.00 34.20 O ATOM 1776 CB LEU A 107 -1.201 -7.697 11.334 1.00 60.10 C ATOM 1777 CG LEU A 107 -0.486 -8.972 11.887 1.00 4.11 C ATOM 1778 CD1 LEU A 107 0.057 -8.750 13.319 1.00 24.10 C ATOM 1779 CD2 LEU A 107 -1.424 -10.192 11.834 1.00 23.12 C ATOM 0 H LEU A 107 0.055 -7.339 8.936 1.00 2.13 H new ATOM 0 HA LEU A 107 -2.423 -8.688 9.858 1.00 43.41 H new ATOM 0 HB2 LEU A 107 -0.493 -6.868 11.358 1.00 60.10 H new ATOM 0 HB3 LEU A 107 -2.016 -7.439 12.010 1.00 60.10 H new ATOM 0 HG LEU A 107 0.371 -9.172 11.244 1.00 4.11 H new ATOM 0 HD11 LEU A 107 0.547 -9.659 13.667 1.00 24.10 H new ATOM 0 HD12 LEU A 107 0.776 -7.930 13.313 1.00 24.10 H new ATOM 0 HD13 LEU A 107 -0.768 -8.504 13.987 1.00 24.10 H new ATOM 0 HD21 LEU A 107 -0.905 -11.067 12.224 1.00 23.12 H new ATOM 0 HD22 LEU A 107 -2.310 -9.996 12.438 1.00 23.12 H new ATOM 0 HD23 LEU A 107 -1.722 -10.377 10.802 1.00 23.12 H new ATOM 1791 N SER A 108 -2.559 -6.114 8.284 1.00 61.43 N ATOM 1792 CA SER A 108 -3.348 -4.971 7.781 1.00 14.33 C ATOM 1793 C SER A 108 -4.355 -5.460 6.719 1.00 1.55 C ATOM 1794 O SER A 108 -3.985 -5.683 5.563 1.00 41.03 O ATOM 1795 CB SER A 108 -2.409 -3.888 7.190 1.00 64.43 C ATOM 1796 OG SER A 108 -1.410 -3.507 8.123 1.00 5.30 O ATOM 0 H SER A 108 -1.938 -6.519 7.584 1.00 61.43 H new ATOM 0 HA SER A 108 -3.901 -4.526 8.608 1.00 14.33 H new ATOM 0 HB2 SER A 108 -1.937 -4.268 6.284 1.00 64.43 H new ATOM 0 HB3 SER A 108 -2.994 -3.014 6.903 1.00 64.43 H new ATOM 0 HG SER A 108 -1.825 -3.026 8.869 1.00 5.30 H new ATOM 1802 N SER A 109 -5.624 -5.648 7.139 1.00 50.52 N ATOM 1803 CA SER A 109 -6.744 -6.045 6.237 1.00 40.44 C ATOM 1804 C SER A 109 -6.929 -5.098 5.012 1.00 10.04 C ATOM 1805 O SER A 109 -7.046 -5.612 3.896 1.00 42.43 O ATOM 1806 CB SER A 109 -8.075 -6.165 7.022 1.00 63.51 C ATOM 1807 OG SER A 109 -9.196 -6.401 6.177 1.00 35.13 O ATOM 0 H SER A 109 -5.909 -5.531 8.111 1.00 50.52 H new ATOM 0 HA SER A 109 -6.466 -7.021 5.838 1.00 40.44 H new ATOM 0 HB2 SER A 109 -7.993 -6.977 7.744 1.00 63.51 H new ATOM 0 HB3 SER A 109 -8.240 -5.249 7.590 1.00 63.51 H new ATOM 0 HG SER A 109 -10.008 -6.470 6.722 1.00 35.13 H new ATOM 1813 N PRO A 110 -6.937 -3.710 5.172 1.00 52.32 N ATOM 1814 CA PRO A 110 -7.056 -2.752 4.018 1.00 2.44 C ATOM 1815 C PRO A 110 -6.116 -3.053 2.809 1.00 70.40 C ATOM 1816 O PRO A 110 -6.449 -2.703 1.667 1.00 43.02 O ATOM 1817 CB PRO A 110 -6.728 -1.363 4.655 1.00 62.21 C ATOM 1818 CG PRO A 110 -6.203 -1.661 6.036 1.00 65.51 C ATOM 1819 CD PRO A 110 -6.884 -2.940 6.454 1.00 21.42 C ATOM 0 HA PRO A 110 -8.049 -2.818 3.573 1.00 2.44 H new ATOM 0 HB2 PRO A 110 -5.988 -0.826 4.062 1.00 62.21 H new ATOM 0 HB3 PRO A 110 -7.617 -0.734 4.701 1.00 62.21 H new ATOM 0 HG2 PRO A 110 -5.119 -1.777 6.028 1.00 65.51 H new ATOM 0 HG3 PRO A 110 -6.432 -0.850 6.727 1.00 65.51 H new ATOM 0 HD2 PRO A 110 -6.319 -3.468 7.222 1.00 21.42 H new ATOM 0 HD3 PRO A 110 -7.879 -2.757 6.859 1.00 21.42 H new ATOM 1827 N LEU A 111 -4.958 -3.700 3.067 1.00 40.51 N ATOM 1828 CA LEU A 111 -4.037 -4.149 1.999 1.00 70.50 C ATOM 1829 C LEU A 111 -4.697 -5.244 1.124 1.00 45.52 C ATOM 1830 O LEU A 111 -4.785 -5.105 -0.100 1.00 72.50 O ATOM 1831 CB LEU A 111 -2.717 -4.716 2.585 1.00 63.10 C ATOM 1832 CG LEU A 111 -1.642 -5.101 1.510 1.00 52.04 C ATOM 1833 CD1 LEU A 111 -1.019 -3.843 0.874 1.00 61.52 C ATOM 1834 CD2 LEU A 111 -0.569 -6.062 2.067 1.00 34.03 C ATOM 0 H LEU A 111 -4.638 -3.924 4.009 1.00 40.51 H new ATOM 0 HA LEU A 111 -3.812 -3.273 1.390 1.00 70.50 H new ATOM 0 HB2 LEU A 111 -2.288 -3.977 3.262 1.00 63.10 H new ATOM 0 HB3 LEU A 111 -2.948 -5.598 3.182 1.00 63.10 H new ATOM 0 HG LEU A 111 -2.157 -5.649 0.721 1.00 52.04 H new ATOM 0 HD11 LEU A 111 -0.277 -4.140 0.132 1.00 61.52 H new ATOM 0 HD12 LEU A 111 -1.799 -3.255 0.391 1.00 61.52 H new ATOM 0 HD13 LEU A 111 -0.539 -3.244 1.648 1.00 61.52 H new ATOM 0 HD21 LEU A 111 0.151 -6.297 1.283 1.00 34.03 H new ATOM 0 HD22 LEU A 111 -0.054 -5.587 2.902 1.00 34.03 H new ATOM 0 HD23 LEU A 111 -1.046 -6.981 2.409 1.00 34.03 H new ATOM 1846 N TYR A 112 -5.158 -6.324 1.790 1.00 21.02 N ATOM 1847 CA TYR A 112 -5.777 -7.497 1.131 1.00 0.31 C ATOM 1848 C TYR A 112 -7.076 -7.113 0.391 1.00 24.04 C ATOM 1849 O TYR A 112 -7.346 -7.620 -0.691 1.00 12.34 O ATOM 1850 CB TYR A 112 -6.096 -8.601 2.171 1.00 45.55 C ATOM 1851 CG TYR A 112 -4.876 -9.141 2.930 1.00 51.43 C ATOM 1852 CD1 TYR A 112 -4.093 -10.166 2.398 1.00 65.35 C ATOM 1853 CD2 TYR A 112 -4.514 -8.634 4.183 1.00 20.32 C ATOM 1854 CE1 TYR A 112 -3.009 -10.668 3.083 1.00 21.22 C ATOM 1855 CE2 TYR A 112 -3.425 -9.131 4.865 1.00 74.40 C ATOM 1856 CZ TYR A 112 -2.678 -10.148 4.312 1.00 12.31 C ATOM 1857 OH TYR A 112 -1.608 -10.659 4.999 1.00 44.14 O ATOM 0 H TYR A 112 -5.112 -6.408 2.805 1.00 21.02 H new ATOM 0 HA TYR A 112 -5.058 -7.873 0.403 1.00 0.31 H new ATOM 0 HB2 TYR A 112 -6.810 -8.205 2.893 1.00 45.55 H new ATOM 0 HB3 TYR A 112 -6.586 -9.431 1.661 1.00 45.55 H new ATOM 0 HD1 TYR A 112 -4.342 -10.574 1.430 1.00 65.35 H new ATOM 0 HD2 TYR A 112 -5.098 -7.839 4.623 1.00 20.32 H new ATOM 0 HE1 TYR A 112 -2.421 -11.467 2.656 1.00 21.22 H new ATOM 0 HE2 TYR A 112 -3.158 -8.725 5.829 1.00 74.40 H new ATOM 0 HH TYR A 112 -1.771 -10.582 5.962 1.00 44.14 H new ATOM 1867 N ILE A 113 -7.872 -6.232 1.022 1.00 33.43 N ATOM 1868 CA ILE A 113 -9.144 -5.717 0.458 1.00 74.25 C ATOM 1869 C ILE A 113 -8.898 -4.890 -0.839 1.00 64.31 C ATOM 1870 O ILE A 113 -9.655 -5.007 -1.815 1.00 53.12 O ATOM 1871 CB ILE A 113 -9.928 -4.851 1.524 1.00 2.44 C ATOM 1872 CG1 ILE A 113 -10.102 -5.644 2.864 1.00 63.43 C ATOM 1873 CG2 ILE A 113 -11.305 -4.373 0.987 1.00 11.10 C ATOM 1874 CD1 ILE A 113 -10.823 -6.981 2.742 1.00 33.21 C ATOM 0 H ILE A 113 -7.655 -5.852 1.943 1.00 33.43 H new ATOM 0 HA ILE A 113 -9.757 -6.580 0.197 1.00 74.25 H new ATOM 0 HB ILE A 113 -9.330 -3.961 1.720 1.00 2.44 H new ATOM 0 HG12 ILE A 113 -9.116 -5.820 3.293 1.00 63.43 H new ATOM 0 HG13 ILE A 113 -10.649 -5.018 3.569 1.00 63.43 H new ATOM 0 HG21 ILE A 113 -11.809 -3.782 1.752 1.00 11.10 H new ATOM 0 HG22 ILE A 113 -11.156 -3.763 0.096 1.00 11.10 H new ATOM 0 HG23 ILE A 113 -11.918 -5.239 0.735 1.00 11.10 H new ATOM 0 HD11 ILE A 113 -10.891 -7.449 3.724 1.00 33.21 H new ATOM 0 HD12 ILE A 113 -11.826 -6.819 2.347 1.00 33.21 H new ATOM 0 HD13 ILE A 113 -10.268 -7.633 2.067 1.00 33.21 H new ATOM 1886 N ALA A 114 -7.823 -4.069 -0.843 1.00 42.43 N ATOM 1887 CA ALA A 114 -7.420 -3.264 -2.023 1.00 54.03 C ATOM 1888 C ALA A 114 -6.820 -4.144 -3.150 1.00 42.13 C ATOM 1889 O ALA A 114 -7.079 -3.904 -4.334 1.00 63.41 O ATOM 1890 CB ALA A 114 -6.422 -2.175 -1.605 1.00 64.34 C ATOM 0 H ALA A 114 -7.213 -3.945 -0.035 1.00 42.43 H new ATOM 0 HA ALA A 114 -8.319 -2.794 -2.423 1.00 54.03 H new ATOM 0 HB1 ALA A 114 -6.134 -1.591 -2.479 1.00 64.34 H new ATOM 0 HB2 ALA A 114 -6.886 -1.520 -0.868 1.00 64.34 H new ATOM 0 HB3 ALA A 114 -5.537 -2.640 -1.171 1.00 64.34 H new ATOM 1896 N TRP A 115 -6.016 -5.155 -2.766 1.00 23.21 N ATOM 1897 CA TRP A 115 -5.403 -6.108 -3.718 1.00 61.15 C ATOM 1898 C TRP A 115 -6.502 -6.945 -4.421 1.00 4.12 C ATOM 1899 O TRP A 115 -6.607 -6.932 -5.649 1.00 24.41 O ATOM 1900 CB TRP A 115 -4.384 -7.030 -2.977 1.00 64.53 C ATOM 1901 CG TRP A 115 -3.482 -7.881 -3.870 1.00 42.15 C ATOM 1902 CD1 TRP A 115 -3.418 -7.898 -5.243 1.00 23.03 C ATOM 1903 CD2 TRP A 115 -2.467 -8.804 -3.426 1.00 11.14 C ATOM 1904 NE1 TRP A 115 -2.470 -8.794 -5.665 1.00 53.22 N ATOM 1905 CE2 TRP A 115 -1.875 -9.360 -4.576 1.00 63.42 C ATOM 1906 CE3 TRP A 115 -2.017 -9.229 -2.167 1.00 14.12 C ATOM 1907 CZ2 TRP A 115 -0.862 -10.304 -4.507 1.00 12.52 C ATOM 1908 CZ3 TRP A 115 -1.008 -10.167 -2.102 1.00 64.14 C ATOM 1909 CH2 TRP A 115 -0.443 -10.699 -3.265 1.00 73.14 C ATOM 0 H TRP A 115 -5.773 -5.335 -1.792 1.00 23.21 H new ATOM 0 HA TRP A 115 -4.862 -5.549 -4.481 1.00 61.15 H new ATOM 0 HB2 TRP A 115 -3.752 -6.406 -2.345 1.00 64.53 H new ATOM 0 HB3 TRP A 115 -4.939 -7.695 -2.316 1.00 64.53 H new ATOM 0 HD1 TRP A 115 -4.028 -7.292 -5.896 1.00 23.03 H new ATOM 0 HE1 TRP A 115 -2.246 -9.004 -6.638 1.00 53.22 H new ATOM 0 HE3 TRP A 115 -2.453 -8.828 -1.264 1.00 14.12 H new ATOM 0 HZ2 TRP A 115 -0.419 -10.714 -5.402 1.00 12.52 H new ATOM 0 HZ3 TRP A 115 -0.649 -10.496 -1.138 1.00 64.14 H new ATOM 0 HH2 TRP A 115 0.341 -11.437 -3.182 1.00 73.14 H new ATOM 1920 N ALA A 116 -7.319 -7.632 -3.607 1.00 10.14 N ATOM 1921 CA ALA A 116 -8.442 -8.470 -4.074 1.00 51.41 C ATOM 1922 C ALA A 116 -9.499 -7.663 -4.863 1.00 50.12 C ATOM 1923 O ALA A 116 -10.057 -8.161 -5.844 1.00 23.11 O ATOM 1924 CB ALA A 116 -9.094 -9.176 -2.882 1.00 73.22 C ATOM 0 H ALA A 116 -7.219 -7.623 -2.592 1.00 10.14 H new ATOM 0 HA ALA A 116 -8.031 -9.209 -4.762 1.00 51.41 H new ATOM 0 HB1 ALA A 116 -9.922 -9.793 -3.233 1.00 73.22 H new ATOM 0 HB2 ALA A 116 -8.357 -9.807 -2.385 1.00 73.22 H new ATOM 0 HB3 ALA A 116 -9.468 -8.432 -2.179 1.00 73.22 H new ATOM 1930 N GLY A 117 -9.755 -6.416 -4.410 1.00 25.33 N ATOM 1931 CA GLY A 117 -10.669 -5.490 -5.096 1.00 51.50 C ATOM 1932 C GLY A 117 -10.190 -5.091 -6.494 1.00 73.14 C ATOM 1933 O GLY A 117 -10.991 -5.018 -7.432 1.00 15.20 O ATOM 0 H GLY A 117 -9.335 -6.030 -3.565 1.00 25.33 H new ATOM 0 HA2 GLY A 117 -11.653 -5.953 -5.175 1.00 51.50 H new ATOM 0 HA3 GLY A 117 -10.787 -4.592 -4.490 1.00 51.50 H new ATOM 1937 N HIS A 118 -8.870 -4.843 -6.632 1.00 12.44 N ATOM 1938 CA HIS A 118 -8.243 -4.570 -7.942 1.00 22.52 C ATOM 1939 C HIS A 118 -8.365 -5.799 -8.880 1.00 55.50 C ATOM 1940 O HIS A 118 -8.807 -5.674 -10.022 1.00 44.13 O ATOM 1941 CB HIS A 118 -6.745 -4.179 -7.768 1.00 55.52 C ATOM 1942 CG HIS A 118 -6.025 -3.899 -9.071 1.00 40.40 C ATOM 1943 ND1 HIS A 118 -5.986 -2.654 -9.665 1.00 3.32 N ATOM 1944 CD2 HIS A 118 -5.343 -4.721 -9.917 1.00 31.31 C ATOM 1945 CE1 HIS A 118 -5.330 -2.729 -10.804 1.00 43.21 C ATOM 1946 NE2 HIS A 118 -4.935 -3.964 -10.979 1.00 72.25 N ATOM 0 H HIS A 118 -8.216 -4.826 -5.849 1.00 12.44 H new ATOM 0 HA HIS A 118 -8.772 -3.732 -8.396 1.00 22.52 H new ATOM 0 HB2 HIS A 118 -6.682 -3.295 -7.133 1.00 55.52 H new ATOM 0 HB3 HIS A 118 -6.229 -4.984 -7.245 1.00 55.52 H new ATOM 0 HD2 HIS A 118 -5.159 -5.776 -9.775 1.00 31.31 H new ATOM 0 HE1 HIS A 118 -5.148 -1.908 -11.481 1.00 43.21 H new ATOM 0 HE2 HIS A 118 -4.406 -4.307 -11.781 1.00 72.25 H new ATOM 1955 N LEU A 119 -7.969 -6.979 -8.362 1.00 0.31 N ATOM 1956 CA LEU A 119 -7.917 -8.242 -9.137 1.00 14.14 C ATOM 1957 C LEU A 119 -9.309 -8.673 -9.653 1.00 52.11 C ATOM 1958 O LEU A 119 -9.434 -9.154 -10.775 1.00 71.11 O ATOM 1959 CB LEU A 119 -7.302 -9.365 -8.264 1.00 1.42 C ATOM 1960 CG LEU A 119 -5.804 -9.194 -7.864 1.00 53.41 C ATOM 1961 CD1 LEU A 119 -5.324 -10.368 -6.978 1.00 1.31 C ATOM 1962 CD2 LEU A 119 -4.907 -9.020 -9.111 1.00 32.51 C ATOM 0 H LEU A 119 -7.675 -7.087 -7.391 1.00 0.31 H new ATOM 0 HA LEU A 119 -7.291 -8.066 -10.012 1.00 14.14 H new ATOM 0 HB2 LEU A 119 -7.891 -9.449 -7.351 1.00 1.42 H new ATOM 0 HB3 LEU A 119 -7.407 -10.309 -8.799 1.00 1.42 H new ATOM 0 HG LEU A 119 -5.720 -8.282 -7.273 1.00 53.41 H new ATOM 0 HD11 LEU A 119 -4.276 -10.221 -6.715 1.00 1.31 H new ATOM 0 HD12 LEU A 119 -5.924 -10.407 -6.069 1.00 1.31 H new ATOM 0 HD13 LEU A 119 -5.433 -11.305 -7.525 1.00 1.31 H new ATOM 0 HD21 LEU A 119 -3.869 -8.903 -8.799 1.00 32.51 H new ATOM 0 HD22 LEU A 119 -4.997 -9.899 -9.750 1.00 32.51 H new ATOM 0 HD23 LEU A 119 -5.221 -8.135 -9.665 1.00 32.51 H new ATOM 1974 N GLU A 120 -10.331 -8.499 -8.809 1.00 64.13 N ATOM 1975 CA GLU A 120 -11.751 -8.721 -9.166 1.00 52.31 C ATOM 1976 C GLU A 120 -12.158 -7.924 -10.429 1.00 65.21 C ATOM 1977 O GLU A 120 -12.702 -8.495 -11.381 1.00 10.13 O ATOM 1978 CB GLU A 120 -12.630 -8.315 -7.962 1.00 12.33 C ATOM 1979 CG GLU A 120 -14.149 -8.361 -8.210 1.00 40.21 C ATOM 1980 CD GLU A 120 -14.952 -7.921 -6.983 1.00 41.54 C ATOM 1981 OE1 GLU A 120 -15.265 -8.768 -6.132 1.00 25.53 O ATOM 1982 OE2 GLU A 120 -15.253 -6.717 -6.852 1.00 2.12 O ATOM 0 H GLU A 120 -10.202 -8.196 -7.844 1.00 64.13 H new ATOM 0 HA GLU A 120 -11.895 -9.776 -9.399 1.00 52.31 H new ATOM 0 HB2 GLU A 120 -12.395 -8.972 -7.124 1.00 12.33 H new ATOM 0 HB3 GLU A 120 -12.358 -7.304 -7.660 1.00 12.33 H new ATOM 0 HG2 GLU A 120 -14.397 -7.717 -9.054 1.00 40.21 H new ATOM 0 HG3 GLU A 120 -14.439 -9.375 -8.487 1.00 40.21 H new ATOM 1989 N ALA A 121 -11.833 -6.613 -10.435 1.00 64.13 N ATOM 1990 CA ALA A 121 -12.112 -5.704 -11.574 1.00 60.44 C ATOM 1991 C ALA A 121 -11.409 -6.167 -12.880 1.00 2.45 C ATOM 1992 O ALA A 121 -11.881 -5.879 -13.984 1.00 51.34 O ATOM 1993 CB ALA A 121 -11.696 -4.267 -11.208 1.00 40.54 C ATOM 0 H ALA A 121 -11.370 -6.153 -9.651 1.00 64.13 H new ATOM 0 HA ALA A 121 -13.184 -5.730 -11.768 1.00 60.44 H new ATOM 0 HB1 ALA A 121 -11.903 -3.603 -12.048 1.00 40.54 H new ATOM 0 HB2 ALA A 121 -12.260 -3.936 -10.336 1.00 40.54 H new ATOM 0 HB3 ALA A 121 -10.630 -4.243 -10.981 1.00 40.54 H new ATOM 1999 N GLN A 122 -10.287 -6.904 -12.729 1.00 61.20 N ATOM 2000 CA GLN A 122 -9.506 -7.460 -13.860 1.00 51.21 C ATOM 2001 C GLN A 122 -10.056 -8.841 -14.326 1.00 61.14 C ATOM 2002 O GLN A 122 -10.019 -9.153 -15.518 1.00 41.45 O ATOM 2003 CB GLN A 122 -8.012 -7.590 -13.445 1.00 23.04 C ATOM 2004 CG GLN A 122 -7.393 -6.288 -12.886 1.00 74.31 C ATOM 2005 CD GLN A 122 -7.338 -5.132 -13.892 1.00 53.14 C ATOM 2006 OE1 GLN A 122 -7.181 -5.331 -15.089 1.00 63.33 O ATOM 2007 NE2 GLN A 122 -7.467 -3.916 -13.407 1.00 72.35 N ATOM 0 H GLN A 122 -9.894 -7.132 -11.816 1.00 61.20 H new ATOM 0 HA GLN A 122 -9.599 -6.774 -14.702 1.00 51.21 H new ATOM 0 HB2 GLN A 122 -7.923 -8.374 -12.693 1.00 23.04 H new ATOM 0 HB3 GLN A 122 -7.433 -7.912 -14.311 1.00 23.04 H new ATOM 0 HG2 GLN A 122 -7.968 -5.970 -12.017 1.00 74.31 H new ATOM 0 HG3 GLN A 122 -6.382 -6.500 -12.539 1.00 74.31 H new ATOM 0 HE21 GLN A 122 -7.597 -3.778 -12.405 1.00 72.35 H new ATOM 0 HE22 GLN A 122 -7.437 -3.111 -14.033 1.00 72.35 H new ATOM 2016 N GLY A 123 -10.584 -9.641 -13.375 1.00 61.42 N ATOM 2017 CA GLY A 123 -11.040 -11.030 -13.644 1.00 11.24 C ATOM 2018 C GLY A 123 -10.209 -12.100 -12.909 1.00 14.34 C ATOM 2019 O GLY A 123 -10.456 -13.300 -13.056 1.00 44.10 O ATOM 0 H GLY A 123 -10.707 -9.349 -12.405 1.00 61.42 H new ATOM 0 HA2 GLY A 123 -12.085 -11.125 -13.348 1.00 11.24 H new ATOM 0 HA3 GLY A 123 -10.994 -11.218 -14.717 1.00 11.24 H new ATOM 2023 N GLU A 124 -9.231 -11.639 -12.106 1.00 53.14 N ATOM 2024 CA GLU A 124 -8.347 -12.494 -11.265 1.00 24.15 C ATOM 2025 C GLU A 124 -9.019 -12.851 -9.907 1.00 23.24 C ATOM 2026 O GLU A 124 -8.363 -12.861 -8.861 1.00 61.55 O ATOM 2027 CB GLU A 124 -7.002 -11.745 -11.024 1.00 70.03 C ATOM 2028 CG GLU A 124 -6.184 -11.419 -12.290 1.00 10.13 C ATOM 2029 CD GLU A 124 -5.482 -12.647 -12.896 1.00 15.41 C ATOM 2030 OE1 GLU A 124 -6.117 -13.394 -13.666 1.00 35.21 O ATOM 2031 OE2 GLU A 124 -4.283 -12.864 -12.610 1.00 33.11 O ATOM 0 H GLU A 124 -9.023 -10.644 -12.016 1.00 53.14 H new ATOM 0 HA GLU A 124 -8.163 -13.431 -11.790 1.00 24.15 H new ATOM 0 HB2 GLU A 124 -7.215 -10.813 -10.501 1.00 70.03 H new ATOM 0 HB3 GLU A 124 -6.384 -12.349 -10.360 1.00 70.03 H new ATOM 0 HG2 GLU A 124 -6.845 -10.981 -13.038 1.00 10.13 H new ATOM 0 HG3 GLU A 124 -5.435 -10.665 -12.046 1.00 10.13 H new ATOM 2038 N LEU A 125 -10.326 -13.188 -9.962 1.00 45.13 N ATOM 2039 CA LEU A 125 -11.168 -13.535 -8.790 1.00 52.11 C ATOM 2040 C LEU A 125 -10.566 -14.672 -7.918 1.00 65.11 C ATOM 2041 O LEU A 125 -10.492 -14.535 -6.705 1.00 1.02 O ATOM 2042 CB LEU A 125 -12.589 -13.934 -9.284 1.00 11.34 C ATOM 2043 CG LEU A 125 -13.539 -12.769 -9.722 1.00 22.42 C ATOM 2044 CD1 LEU A 125 -14.655 -13.271 -10.666 1.00 3.14 C ATOM 2045 CD2 LEU A 125 -14.149 -12.065 -8.488 1.00 42.24 C ATOM 0 H LEU A 125 -10.840 -13.228 -10.842 1.00 45.13 H new ATOM 0 HA LEU A 125 -11.217 -12.653 -8.151 1.00 52.11 H new ATOM 0 HB2 LEU A 125 -12.476 -14.615 -10.127 1.00 11.34 H new ATOM 0 HB3 LEU A 125 -13.081 -14.492 -8.487 1.00 11.34 H new ATOM 0 HG LEU A 125 -12.938 -12.046 -10.273 1.00 22.42 H new ATOM 0 HD11 LEU A 125 -15.295 -12.435 -10.949 1.00 3.14 H new ATOM 0 HD12 LEU A 125 -14.207 -13.705 -11.560 1.00 3.14 H new ATOM 0 HD13 LEU A 125 -15.251 -14.027 -10.155 1.00 3.14 H new ATOM 0 HD21 LEU A 125 -14.805 -11.259 -8.816 1.00 42.24 H new ATOM 0 HD22 LEU A 125 -14.722 -12.785 -7.905 1.00 42.24 H new ATOM 0 HD23 LEU A 125 -13.350 -11.653 -7.872 1.00 42.24 H new ATOM 2057 N GLN A 126 -10.128 -15.779 -8.541 1.00 71.53 N ATOM 2058 CA GLN A 126 -9.564 -16.941 -7.807 1.00 32.43 C ATOM 2059 C GLN A 126 -8.259 -16.574 -7.055 1.00 34.24 C ATOM 2060 O GLN A 126 -8.067 -16.985 -5.910 1.00 3.03 O ATOM 2061 CB GLN A 126 -9.322 -18.132 -8.773 1.00 64.43 C ATOM 2062 CG GLN A 126 -10.598 -18.694 -9.442 1.00 70.25 C ATOM 2063 CD GLN A 126 -11.607 -19.280 -8.444 1.00 24.41 C ATOM 2064 OE1 GLN A 126 -12.555 -18.489 -7.995 1.00 22.31 O flip ATOM 2065 NE2 GLN A 126 -11.543 -20.451 -8.096 1.00 65.51 N flip ATOM 0 H GLN A 126 -10.151 -15.900 -9.553 1.00 71.53 H new ATOM 0 HA GLN A 126 -10.297 -17.240 -7.058 1.00 32.43 H new ATOM 0 HB2 GLN A 126 -8.630 -17.814 -9.553 1.00 64.43 H new ATOM 0 HB3 GLN A 126 -8.834 -18.936 -8.221 1.00 64.43 H new ATOM 0 HG2 GLN A 126 -11.081 -17.899 -10.010 1.00 70.25 H new ATOM 0 HG3 GLN A 126 -10.314 -19.468 -10.155 1.00 70.25 H new ATOM 0 HE21 GLN A 126 -10.800 -21.050 -8.455 1.00 65.51 H new ATOM 0 HE22 GLN A 126 -12.233 -20.828 -7.447 1.00 65.51 H new ATOM 2074 N HIS A 127 -7.388 -15.773 -7.698 1.00 30.04 N ATOM 2075 CA HIS A 127 -6.130 -15.304 -7.074 1.00 43.33 C ATOM 2076 C HIS A 127 -6.425 -14.291 -5.940 1.00 65.04 C ATOM 2077 O HIS A 127 -5.739 -14.271 -4.927 1.00 43.05 O ATOM 2078 CB HIS A 127 -5.182 -14.677 -8.132 1.00 63.32 C ATOM 2079 CG HIS A 127 -3.854 -14.239 -7.558 1.00 64.20 C ATOM 2080 ND1 HIS A 127 -3.355 -12.958 -7.670 1.00 11.32 N ATOM 2081 CD2 HIS A 127 -2.932 -14.924 -6.834 1.00 54.45 C ATOM 2082 CE1 HIS A 127 -2.203 -12.878 -7.041 1.00 54.44 C ATOM 2083 NE2 HIS A 127 -1.925 -14.053 -6.529 1.00 32.21 N ATOM 0 H HIS A 127 -7.530 -15.435 -8.650 1.00 30.04 H new ATOM 0 HA HIS A 127 -5.628 -16.169 -6.641 1.00 43.33 H new ATOM 0 HB2 HIS A 127 -5.005 -15.402 -8.927 1.00 63.32 H new ATOM 0 HB3 HIS A 127 -5.674 -13.818 -8.588 1.00 63.32 H new ATOM 0 HD2 HIS A 127 -2.985 -15.965 -6.552 1.00 54.45 H new ATOM 0 HE1 HIS A 127 -1.589 -11.993 -6.960 1.00 54.44 H new ATOM 0 HE2 HIS A 127 -1.090 -14.280 -5.989 1.00 32.21 H new ATOM 2092 N ALA A 128 -7.449 -13.464 -6.147 1.00 21.44 N ATOM 2093 CA ALA A 128 -7.931 -12.480 -5.158 1.00 74.31 C ATOM 2094 C ALA A 128 -8.583 -13.160 -3.924 1.00 64.43 C ATOM 2095 O ALA A 128 -8.498 -12.646 -2.807 1.00 70.33 O ATOM 2096 CB ALA A 128 -8.904 -11.546 -5.853 1.00 44.13 C ATOM 0 H ALA A 128 -7.980 -13.453 -7.018 1.00 21.44 H new ATOM 0 HA ALA A 128 -7.082 -11.915 -4.773 1.00 74.31 H new ATOM 0 HB1 ALA A 128 -9.274 -10.809 -5.140 1.00 44.13 H new ATOM 0 HB2 ALA A 128 -8.397 -11.036 -6.672 1.00 44.13 H new ATOM 0 HB3 ALA A 128 -9.742 -12.121 -6.247 1.00 44.13 H new ATOM 2102 N SER A 129 -9.236 -14.311 -4.156 1.00 31.12 N ATOM 2103 CA SER A 129 -9.718 -15.215 -3.084 1.00 64.21 C ATOM 2104 C SER A 129 -8.514 -15.786 -2.306 1.00 34.44 C ATOM 2105 O SER A 129 -8.522 -15.835 -1.072 1.00 71.43 O ATOM 2106 CB SER A 129 -10.550 -16.374 -3.682 1.00 73.54 C ATOM 2107 OG SER A 129 -10.911 -17.329 -2.690 1.00 21.53 O ATOM 0 H SER A 129 -9.448 -14.647 -5.095 1.00 31.12 H new ATOM 0 HA SER A 129 -10.353 -14.645 -2.406 1.00 64.21 H new ATOM 0 HB2 SER A 129 -11.451 -15.973 -4.146 1.00 73.54 H new ATOM 0 HB3 SER A 129 -9.977 -16.865 -4.469 1.00 73.54 H new ATOM 0 HG SER A 129 -11.437 -18.046 -3.102 1.00 21.53 H new ATOM 2113 N ALA A 130 -7.472 -16.183 -3.075 1.00 21.20 N ATOM 2114 CA ALA A 130 -6.180 -16.667 -2.549 1.00 33.22 C ATOM 2115 C ALA A 130 -5.421 -15.573 -1.761 1.00 0.33 C ATOM 2116 O ALA A 130 -4.487 -15.883 -1.038 1.00 44.40 O ATOM 2117 CB ALA A 130 -5.308 -17.227 -3.689 1.00 54.33 C ATOM 0 H ALA A 130 -7.510 -16.174 -4.094 1.00 21.20 H new ATOM 0 HA ALA A 130 -6.397 -17.471 -1.846 1.00 33.22 H new ATOM 0 HB1 ALA A 130 -4.360 -17.579 -3.283 1.00 54.33 H new ATOM 0 HB2 ALA A 130 -5.827 -18.056 -4.170 1.00 54.33 H new ATOM 0 HB3 ALA A 130 -5.120 -16.443 -4.422 1.00 54.33 H new ATOM 2123 N VAL A 131 -5.812 -14.297 -1.953 1.00 53.41 N ATOM 2124 CA VAL A 131 -5.296 -13.144 -1.177 1.00 25.24 C ATOM 2125 C VAL A 131 -6.077 -12.943 0.152 1.00 72.43 C ATOM 2126 O VAL A 131 -5.467 -12.785 1.216 1.00 11.13 O ATOM 2127 CB VAL A 131 -5.347 -11.830 -2.057 1.00 53.03 C ATOM 2128 CG1 VAL A 131 -5.085 -10.546 -1.232 1.00 23.04 C ATOM 2129 CG2 VAL A 131 -4.366 -11.944 -3.256 1.00 4.41 C ATOM 0 H VAL A 131 -6.501 -14.032 -2.657 1.00 53.41 H new ATOM 0 HA VAL A 131 -4.260 -13.358 -0.913 1.00 25.24 H new ATOM 0 HB VAL A 131 -6.362 -11.739 -2.443 1.00 53.03 H new ATOM 0 HG11 VAL A 131 -5.132 -9.676 -1.887 1.00 23.04 H new ATOM 0 HG12 VAL A 131 -5.841 -10.454 -0.452 1.00 23.04 H new ATOM 0 HG13 VAL A 131 -4.097 -10.602 -0.775 1.00 23.04 H new ATOM 0 HG21 VAL A 131 -4.412 -11.033 -3.852 1.00 4.41 H new ATOM 0 HG22 VAL A 131 -3.351 -12.083 -2.884 1.00 4.41 H new ATOM 0 HG23 VAL A 131 -4.645 -12.797 -3.875 1.00 4.41 H new ATOM 2139 N LEU A 132 -7.421 -12.957 0.083 1.00 73.23 N ATOM 2140 CA LEU A 132 -8.291 -12.718 1.267 1.00 2.02 C ATOM 2141 C LEU A 132 -8.136 -13.833 2.334 1.00 5.41 C ATOM 2142 O LEU A 132 -8.130 -13.546 3.538 1.00 75.22 O ATOM 2143 CB LEU A 132 -9.774 -12.583 0.837 1.00 63.11 C ATOM 2144 CG LEU A 132 -10.113 -11.372 -0.083 1.00 41.21 C ATOM 2145 CD1 LEU A 132 -11.583 -11.415 -0.559 1.00 2.12 C ATOM 2146 CD2 LEU A 132 -9.786 -10.029 0.612 1.00 12.41 C ATOM 0 H LEU A 132 -7.937 -13.131 -0.780 1.00 73.23 H new ATOM 0 HA LEU A 132 -7.969 -11.781 1.722 1.00 2.02 H new ATOM 0 HB2 LEU A 132 -10.067 -13.498 0.322 1.00 63.11 H new ATOM 0 HB3 LEU A 132 -10.387 -12.513 1.736 1.00 63.11 H new ATOM 0 HG LEU A 132 -9.481 -11.448 -0.968 1.00 41.21 H new ATOM 0 HD11 LEU A 132 -11.784 -10.555 -1.198 1.00 2.12 H new ATOM 0 HD12 LEU A 132 -11.757 -12.333 -1.120 1.00 2.12 H new ATOM 0 HD13 LEU A 132 -12.246 -11.387 0.305 1.00 2.12 H new ATOM 0 HD21 LEU A 132 -10.034 -9.204 -0.056 1.00 12.41 H new ATOM 0 HD22 LEU A 132 -10.370 -9.942 1.528 1.00 12.41 H new ATOM 0 HD23 LEU A 132 -8.724 -9.994 0.854 1.00 12.41 H new ATOM 2158 N GLN A 133 -7.981 -15.096 1.869 1.00 63.24 N ATOM 2159 CA GLN A 133 -7.745 -16.256 2.764 1.00 74.42 C ATOM 2160 C GLN A 133 -6.404 -16.122 3.523 1.00 21.40 C ATOM 2161 O GLN A 133 -6.310 -16.557 4.675 1.00 13.04 O ATOM 2162 CB GLN A 133 -7.779 -17.599 1.993 1.00 34.04 C ATOM 2163 CG GLN A 133 -6.714 -17.741 0.894 1.00 73.11 C ATOM 2164 CD GLN A 133 -6.639 -19.148 0.293 1.00 1.13 C ATOM 2165 OE1 GLN A 133 -7.320 -19.462 -0.681 1.00 2.35 O ATOM 2166 NE2 GLN A 133 -5.813 -20.001 0.874 1.00 44.34 N ATOM 0 H GLN A 133 -8.015 -15.338 0.879 1.00 63.24 H new ATOM 0 HA GLN A 133 -8.559 -16.257 3.488 1.00 74.42 H new ATOM 0 HB2 GLN A 133 -7.655 -18.414 2.706 1.00 34.04 H new ATOM 0 HB3 GLN A 133 -8.764 -17.717 1.542 1.00 34.04 H new ATOM 0 HG2 GLN A 133 -6.926 -17.026 0.099 1.00 73.11 H new ATOM 0 HG3 GLN A 133 -5.740 -17.479 1.307 1.00 73.11 H new ATOM 0 HE21 GLN A 133 -5.262 -19.708 1.681 1.00 44.34 H new ATOM 0 HE22 GLN A 133 -5.727 -20.952 0.515 1.00 44.34 H new ATOM 2175 N ARG A 134 -5.378 -15.502 2.863 1.00 55.30 N ATOM 2176 CA ARG A 134 -4.080 -15.196 3.507 1.00 71.24 C ATOM 2177 C ARG A 134 -4.313 -14.334 4.745 1.00 30.22 C ATOM 2178 O ARG A 134 -3.907 -14.708 5.823 1.00 51.25 O ATOM 2179 CB ARG A 134 -3.109 -14.439 2.562 1.00 22.21 C ATOM 2180 CG ARG A 134 -2.684 -15.206 1.304 1.00 0.43 C ATOM 2181 CD ARG A 134 -1.834 -14.335 0.350 1.00 50.33 C ATOM 2182 NE ARG A 134 -1.487 -15.043 -0.889 1.00 34.34 N ATOM 2183 CZ ARG A 134 -0.570 -14.661 -1.759 1.00 2.45 C ATOM 2184 NH1 ARG A 134 0.107 -13.564 -1.594 1.00 54.33 N ATOM 2185 NH2 ARG A 134 -0.332 -15.389 -2.800 1.00 3.44 N ATOM 0 H ARG A 134 -5.434 -15.209 1.888 1.00 55.30 H new ATOM 0 HA ARG A 134 -3.625 -16.151 3.770 1.00 71.24 H new ATOM 0 HB2 ARG A 134 -3.581 -13.506 2.256 1.00 22.21 H new ATOM 0 HB3 ARG A 134 -2.214 -14.174 3.125 1.00 22.21 H new ATOM 0 HG2 ARG A 134 -2.113 -16.088 1.594 1.00 0.43 H new ATOM 0 HG3 ARG A 134 -3.571 -15.559 0.778 1.00 0.43 H new ATOM 0 HD2 ARG A 134 -2.383 -13.426 0.105 1.00 50.33 H new ATOM 0 HD3 ARG A 134 -0.920 -14.028 0.859 1.00 50.33 H new ATOM 0 HE ARG A 134 -1.997 -15.902 -1.095 1.00 34.34 H new ATOM 0 HH11 ARG A 134 -0.065 -12.977 -0.778 1.00 54.33 H new ATOM 0 HH12 ARG A 134 0.810 -13.291 -2.280 1.00 54.33 H new ATOM 0 HH21 ARG A 134 -0.852 -16.254 -2.947 1.00 3.44 H new ATOM 0 HH22 ARG A 134 0.375 -15.098 -3.475 1.00 3.44 H new ATOM 2199 N GLY A 135 -5.036 -13.216 4.567 1.00 12.23 N ATOM 2200 CA GLY A 135 -5.327 -12.293 5.664 1.00 43.43 C ATOM 2201 C GLY A 135 -6.057 -12.938 6.851 1.00 3.00 C ATOM 2202 O GLY A 135 -5.731 -12.663 7.999 1.00 40.04 O ATOM 0 H GLY A 135 -5.428 -12.934 3.669 1.00 12.23 H new ATOM 0 HA2 GLY A 135 -4.391 -11.861 6.019 1.00 43.43 H new ATOM 0 HA3 GLY A 135 -5.933 -11.471 5.282 1.00 43.43 H new ATOM 2206 N ILE A 136 -7.023 -13.813 6.554 1.00 71.01 N ATOM 2207 CA ILE A 136 -7.780 -14.567 7.578 1.00 13.14 C ATOM 2208 C ILE A 136 -6.845 -15.472 8.439 1.00 11.23 C ATOM 2209 O ILE A 136 -6.829 -15.355 9.668 1.00 74.14 O ATOM 2210 CB ILE A 136 -8.909 -15.430 6.896 1.00 22.44 C ATOM 2211 CG1 ILE A 136 -9.927 -14.500 6.159 1.00 51.01 C ATOM 2212 CG2 ILE A 136 -9.624 -16.346 7.922 1.00 1.13 C ATOM 2213 CD1 ILE A 136 -10.918 -15.217 5.262 1.00 14.52 C ATOM 0 H ILE A 136 -7.308 -14.024 5.598 1.00 71.01 H new ATOM 0 HA ILE A 136 -8.242 -13.843 8.249 1.00 13.14 H new ATOM 0 HB ILE A 136 -8.441 -16.082 6.159 1.00 22.44 H new ATOM 0 HG12 ILE A 136 -10.481 -13.930 6.905 1.00 51.01 H new ATOM 0 HG13 ILE A 136 -9.370 -13.781 5.558 1.00 51.01 H new ATOM 0 HG21 ILE A 136 -10.396 -16.926 7.416 1.00 1.13 H new ATOM 0 HG22 ILE A 136 -8.898 -17.023 8.373 1.00 1.13 H new ATOM 0 HG23 ILE A 136 -10.081 -15.734 8.700 1.00 1.13 H new ATOM 0 HD11 ILE A 136 -11.581 -14.488 4.796 1.00 14.52 H new ATOM 0 HD12 ILE A 136 -10.379 -15.764 4.488 1.00 14.52 H new ATOM 0 HD13 ILE A 136 -11.507 -15.915 5.856 1.00 14.52 H new ATOM 2225 N GLN A 137 -6.045 -16.339 7.778 1.00 45.12 N ATOM 2226 CA GLN A 137 -5.114 -17.279 8.477 1.00 11.45 C ATOM 2227 C GLN A 137 -3.902 -16.537 9.116 1.00 43.45 C ATOM 2228 O GLN A 137 -3.310 -17.025 10.083 1.00 3.44 O ATOM 2229 CB GLN A 137 -4.625 -18.391 7.505 1.00 54.41 C ATOM 2230 CG GLN A 137 -3.867 -17.856 6.281 1.00 24.15 C ATOM 2231 CD GLN A 137 -3.428 -18.931 5.286 1.00 74.23 C ATOM 2232 OE1 GLN A 137 -2.340 -19.481 5.391 1.00 51.15 O ATOM 2233 NE2 GLN A 137 -4.265 -19.225 4.313 1.00 63.30 N ATOM 0 H GLN A 137 -6.019 -16.414 6.761 1.00 45.12 H new ATOM 0 HA GLN A 137 -5.674 -17.743 9.289 1.00 11.45 H new ATOM 0 HB2 GLN A 137 -3.977 -19.078 8.050 1.00 54.41 H new ATOM 0 HB3 GLN A 137 -5.486 -18.967 7.164 1.00 54.41 H new ATOM 0 HG2 GLN A 137 -4.501 -17.137 5.763 1.00 24.15 H new ATOM 0 HG3 GLN A 137 -2.985 -17.315 6.624 1.00 24.15 H new ATOM 0 HE21 GLN A 137 -5.165 -18.749 4.253 1.00 63.30 H new ATOM 0 HE22 GLN A 137 -4.014 -19.929 3.619 1.00 63.30 H new ATOM 2242 N ASN A 138 -3.555 -15.354 8.562 1.00 54.11 N ATOM 2243 CA ASN A 138 -2.497 -14.466 9.102 1.00 35.21 C ATOM 2244 C ASN A 138 -3.004 -13.662 10.317 1.00 52.32 C ATOM 2245 O ASN A 138 -2.197 -13.059 11.017 1.00 62.34 O ATOM 2246 CB ASN A 138 -1.972 -13.472 8.017 1.00 60.33 C ATOM 2247 CG ASN A 138 -1.191 -14.141 6.882 1.00 0.22 C ATOM 2248 OD1 ASN A 138 -0.582 -15.186 7.059 1.00 21.32 O ATOM 2249 ND2 ASN A 138 -1.193 -13.535 5.710 1.00 71.30 N ATOM 0 H ASN A 138 -4.003 -14.985 7.723 1.00 54.11 H new ATOM 0 HA ASN A 138 -1.679 -15.114 9.416 1.00 35.21 H new ATOM 0 HB2 ASN A 138 -2.819 -12.934 7.592 1.00 60.33 H new ATOM 0 HB3 ASN A 138 -1.332 -12.732 8.497 1.00 60.33 H new ATOM 0 HD21 ASN A 138 -0.679 -13.938 4.927 1.00 71.30 H new ATOM 0 HD22 ASN A 138 -1.709 -12.664 5.587 1.00 71.30 H new ATOM 2256 N GLN A 139 -4.344 -13.650 10.526 1.00 4.40 N ATOM 2257 CA GLN A 139 -5.019 -12.915 11.629 1.00 63.33 C ATOM 2258 C GLN A 139 -4.980 -11.375 11.413 1.00 71.24 C ATOM 2259 O GLN A 139 -5.026 -10.598 12.373 1.00 24.34 O ATOM 2260 CB GLN A 139 -4.447 -13.320 13.030 1.00 62.53 C ATOM 2261 CG GLN A 139 -4.609 -14.817 13.400 1.00 21.24 C ATOM 2262 CD GLN A 139 -6.075 -15.265 13.532 1.00 33.32 C ATOM 2263 OE1 GLN A 139 -6.671 -15.174 14.597 1.00 64.33 O ATOM 2264 NE2 GLN A 139 -6.662 -15.756 12.459 1.00 1.20 N ATOM 0 H GLN A 139 -4.996 -14.156 9.927 1.00 4.40 H new ATOM 0 HA GLN A 139 -6.068 -13.210 11.612 1.00 63.33 H new ATOM 0 HB2 GLN A 139 -3.387 -13.067 13.059 1.00 62.53 H new ATOM 0 HB3 GLN A 139 -4.939 -12.718 13.794 1.00 62.53 H new ATOM 0 HG2 GLN A 139 -4.119 -15.425 12.640 1.00 21.24 H new ATOM 0 HG3 GLN A 139 -4.094 -15.008 14.341 1.00 21.24 H new ATOM 0 HE21 GLN A 139 -6.147 -15.823 11.581 1.00 1.20 H new ATOM 0 HE22 GLN A 139 -7.632 -16.069 12.506 1.00 1.20 H new ATOM 2273 N ALA A 140 -4.951 -10.960 10.137 1.00 52.22 N ATOM 2274 CA ALA A 140 -4.940 -9.538 9.727 1.00 71.43 C ATOM 2275 C ALA A 140 -6.244 -8.794 10.097 1.00 75.23 C ATOM 2276 O ALA A 140 -7.333 -9.246 9.753 1.00 44.15 O ATOM 2277 CB ALA A 140 -4.680 -9.432 8.220 1.00 15.13 C ATOM 0 H ALA A 140 -4.934 -11.606 9.348 1.00 52.22 H new ATOM 0 HA ALA A 140 -4.135 -9.053 10.279 1.00 71.43 H new ATOM 0 HB1 ALA A 140 -4.673 -8.383 7.925 1.00 15.13 H new ATOM 0 HB2 ALA A 140 -3.715 -9.881 7.985 1.00 15.13 H new ATOM 0 HB3 ALA A 140 -5.466 -9.956 7.677 1.00 15.13 H new ATOM 2283 N GLU A 141 -6.105 -7.634 10.769 1.00 20.13 N ATOM 2284 CA GLU A 141 -7.246 -6.865 11.322 1.00 44.42 C ATOM 2285 C GLU A 141 -7.595 -5.610 10.465 1.00 13.22 C ATOM 2286 O GLU A 141 -6.677 -4.961 9.944 1.00 52.12 O ATOM 2287 CB GLU A 141 -6.926 -6.451 12.773 1.00 25.04 C ATOM 2288 CG GLU A 141 -6.619 -7.638 13.704 1.00 40.34 C ATOM 2289 CD GLU A 141 -6.358 -7.211 15.152 1.00 24.35 C ATOM 2290 OE1 GLU A 141 -5.197 -6.892 15.487 1.00 12.30 O ATOM 2291 OE2 GLU A 141 -7.316 -7.172 15.955 1.00 34.32 O ATOM 0 H GLU A 141 -5.199 -7.200 10.946 1.00 20.13 H new ATOM 0 HA GLU A 141 -8.123 -7.511 11.301 1.00 44.42 H new ATOM 0 HB2 GLU A 141 -6.071 -5.775 12.768 1.00 25.04 H new ATOM 0 HB3 GLU A 141 -7.771 -5.894 13.177 1.00 25.04 H new ATOM 0 HG2 GLU A 141 -7.456 -8.336 13.682 1.00 40.34 H new ATOM 0 HG3 GLU A 141 -5.748 -8.173 13.326 1.00 40.34 H new ATOM 2298 N PRO A 142 -8.925 -5.228 10.292 1.00 31.10 N ATOM 2299 CA PRO A 142 -10.121 -5.953 10.850 1.00 72.31 C ATOM 2300 C PRO A 142 -10.342 -7.383 10.254 1.00 51.50 C ATOM 2301 O PRO A 142 -10.515 -7.566 9.043 1.00 54.24 O ATOM 2302 CB PRO A 142 -11.295 -4.995 10.521 1.00 44.34 C ATOM 2303 CG PRO A 142 -10.825 -4.198 9.345 1.00 52.22 C ATOM 2304 CD PRO A 142 -9.345 -3.993 9.567 1.00 4.44 C ATOM 0 HA PRO A 142 -10.006 -6.158 11.914 1.00 72.31 H new ATOM 0 HB2 PRO A 142 -12.203 -5.550 10.285 1.00 44.34 H new ATOM 0 HB3 PRO A 142 -11.527 -4.350 11.368 1.00 44.34 H new ATOM 0 HG2 PRO A 142 -11.013 -4.727 8.411 1.00 52.22 H new ATOM 0 HG3 PRO A 142 -11.349 -3.244 9.282 1.00 52.22 H new ATOM 0 HD2 PRO A 142 -8.810 -3.880 8.624 1.00 4.44 H new ATOM 0 HD3 PRO A 142 -9.148 -3.096 10.155 1.00 4.44 H new ATOM 2312 N ARG A 143 -10.331 -8.376 11.160 1.00 23.00 N ATOM 2313 CA ARG A 143 -10.253 -9.814 10.828 1.00 23.11 C ATOM 2314 C ARG A 143 -11.593 -10.382 10.302 1.00 24.02 C ATOM 2315 O ARG A 143 -11.642 -10.964 9.212 1.00 4.25 O ATOM 2316 CB ARG A 143 -9.770 -10.567 12.090 1.00 50.21 C ATOM 2317 CG ARG A 143 -9.379 -12.045 11.882 1.00 30.52 C ATOM 2318 CD ARG A 143 -8.746 -12.634 13.155 1.00 71.23 C ATOM 2319 NE ARG A 143 -7.578 -11.832 13.590 1.00 42.42 N ATOM 2320 CZ ARG A 143 -7.256 -11.535 14.832 1.00 4.21 C ATOM 2321 NH1 ARG A 143 -8.006 -11.873 15.825 1.00 54.22 N ATOM 2322 NH2 ARG A 143 -6.176 -10.866 15.067 1.00 3.24 N ATOM 0 H ARG A 143 -10.377 -8.201 12.164 1.00 23.00 H new ATOM 0 HA ARG A 143 -9.545 -9.953 10.011 1.00 23.11 H new ATOM 0 HB2 ARG A 143 -8.910 -10.037 12.499 1.00 50.21 H new ATOM 0 HB3 ARG A 143 -10.559 -10.522 12.841 1.00 50.21 H new ATOM 0 HG2 ARG A 143 -10.262 -12.623 11.610 1.00 30.52 H new ATOM 0 HG3 ARG A 143 -8.677 -12.126 11.052 1.00 30.52 H new ATOM 0 HD2 ARG A 143 -9.488 -12.664 13.953 1.00 71.23 H new ATOM 0 HD3 ARG A 143 -8.436 -13.662 12.969 1.00 71.23 H new ATOM 0 HE ARG A 143 -6.965 -11.476 12.857 1.00 42.42 H new ATOM 0 HH11 ARG A 143 -8.873 -12.384 15.659 1.00 54.22 H new ATOM 0 HH12 ARG A 143 -7.732 -11.630 16.777 1.00 54.22 H new ATOM 0 HH21 ARG A 143 -5.580 -10.572 14.293 1.00 3.24 H new ATOM 0 HH22 ARG A 143 -5.920 -10.632 16.026 1.00 3.24 H new ATOM 2336 N GLU A 144 -12.678 -10.194 11.078 1.00 72.14 N ATOM 2337 CA GLU A 144 -14.036 -10.641 10.686 1.00 63.12 C ATOM 2338 C GLU A 144 -14.548 -9.865 9.444 1.00 34.34 C ATOM 2339 O GLU A 144 -15.401 -10.359 8.702 1.00 1.31 O ATOM 2340 CB GLU A 144 -15.018 -10.491 11.878 1.00 63.10 C ATOM 2341 CG GLU A 144 -16.395 -11.157 11.653 1.00 23.22 C ATOM 2342 CD GLU A 144 -17.332 -11.036 12.865 1.00 65.24 C ATOM 2343 OE1 GLU A 144 -17.212 -11.855 13.807 1.00 62.04 O ATOM 2344 OE2 GLU A 144 -18.180 -10.118 12.890 1.00 74.11 O ATOM 0 H GLU A 144 -12.643 -9.733 11.987 1.00 72.14 H new ATOM 0 HA GLU A 144 -13.981 -11.695 10.414 1.00 63.12 H new ATOM 0 HB2 GLU A 144 -14.560 -10.922 12.768 1.00 63.10 H new ATOM 0 HB3 GLU A 144 -15.169 -9.430 12.079 1.00 63.10 H new ATOM 0 HG2 GLU A 144 -16.874 -10.703 10.785 1.00 23.22 H new ATOM 0 HG3 GLU A 144 -16.247 -12.212 11.420 1.00 23.22 H new ATOM 2351 N PHE A 145 -14.004 -8.648 9.235 1.00 71.11 N ATOM 2352 CA PHE A 145 -14.212 -7.878 7.995 1.00 23.13 C ATOM 2353 C PHE A 145 -13.597 -8.616 6.787 1.00 75.12 C ATOM 2354 O PHE A 145 -14.225 -8.720 5.746 1.00 60.32 O ATOM 2355 CB PHE A 145 -13.612 -6.463 8.128 1.00 23.34 C ATOM 2356 CG PHE A 145 -13.823 -5.566 6.907 1.00 33.13 C ATOM 2357 CD1 PHE A 145 -15.079 -5.016 6.641 1.00 62.50 C ATOM 2358 CD2 PHE A 145 -12.775 -5.271 6.027 1.00 1.52 C ATOM 2359 CE1 PHE A 145 -15.281 -4.207 5.540 1.00 72.42 C ATOM 2360 CE2 PHE A 145 -12.983 -4.460 4.926 1.00 52.33 C ATOM 2361 CZ PHE A 145 -14.234 -3.927 4.683 1.00 73.14 C ATOM 0 H PHE A 145 -13.412 -8.175 9.918 1.00 71.11 H new ATOM 0 HA PHE A 145 -15.285 -7.782 7.828 1.00 23.13 H new ATOM 0 HB2 PHE A 145 -14.050 -5.977 9.000 1.00 23.34 H new ATOM 0 HB3 PHE A 145 -12.542 -6.552 8.317 1.00 23.34 H new ATOM 0 HD1 PHE A 145 -15.904 -5.226 7.306 1.00 62.50 H new ATOM 0 HD2 PHE A 145 -11.793 -5.681 6.210 1.00 1.52 H new ATOM 0 HE1 PHE A 145 -16.260 -3.792 5.348 1.00 72.42 H new ATOM 0 HE2 PHE A 145 -12.165 -4.243 4.255 1.00 52.33 H new ATOM 0 HZ PHE A 145 -14.394 -3.292 3.824 1.00 73.14 H new ATOM 2371 N LEU A 146 -12.374 -9.150 6.960 1.00 4.11 N ATOM 2372 CA LEU A 146 -11.682 -9.950 5.913 1.00 13.44 C ATOM 2373 C LEU A 146 -12.493 -11.217 5.560 1.00 4.13 C ATOM 2374 O LEU A 146 -12.586 -11.600 4.392 1.00 24.13 O ATOM 2375 CB LEU A 146 -10.234 -10.326 6.379 1.00 1.22 C ATOM 2376 CG LEU A 146 -9.080 -9.593 5.640 1.00 3.41 C ATOM 2377 CD1 LEU A 146 -7.750 -9.765 6.376 1.00 60.31 C ATOM 2378 CD2 LEU A 146 -8.974 -10.057 4.169 1.00 32.00 C ATOM 0 H LEU A 146 -11.835 -9.045 7.819 1.00 4.11 H new ATOM 0 HA LEU A 146 -11.605 -9.341 5.012 1.00 13.44 H new ATOM 0 HB2 LEU A 146 -10.149 -10.117 7.445 1.00 1.22 H new ATOM 0 HB3 LEU A 146 -10.098 -11.400 6.253 1.00 1.22 H new ATOM 0 HG LEU A 146 -9.315 -8.529 5.634 1.00 3.41 H new ATOM 0 HD11 LEU A 146 -6.963 -9.241 5.833 1.00 60.31 H new ATOM 0 HD12 LEU A 146 -7.834 -9.352 7.381 1.00 60.31 H new ATOM 0 HD13 LEU A 146 -7.503 -10.825 6.438 1.00 60.31 H new ATOM 0 HD21 LEU A 146 -8.158 -9.527 3.678 1.00 32.00 H new ATOM 0 HD22 LEU A 146 -8.780 -11.129 4.139 1.00 32.00 H new ATOM 0 HD23 LEU A 146 -9.909 -9.843 3.652 1.00 32.00 H new ATOM 2390 N GLN A 147 -13.079 -11.839 6.594 1.00 44.42 N ATOM 2391 CA GLN A 147 -13.908 -13.053 6.452 1.00 32.52 C ATOM 2392 C GLN A 147 -15.261 -12.760 5.743 1.00 11.22 C ATOM 2393 O GLN A 147 -15.690 -13.533 4.877 1.00 73.32 O ATOM 2394 CB GLN A 147 -14.140 -13.689 7.848 1.00 35.44 C ATOM 2395 CG GLN A 147 -12.840 -13.922 8.648 1.00 11.04 C ATOM 2396 CD GLN A 147 -13.050 -14.661 9.969 1.00 71.40 C ATOM 2397 OE1 GLN A 147 -13.344 -14.059 10.994 1.00 54.21 O ATOM 2398 NE2 GLN A 147 -12.860 -15.964 9.954 1.00 54.21 N ATOM 0 H GLN A 147 -12.993 -11.515 7.558 1.00 44.42 H new ATOM 0 HA GLN A 147 -13.370 -13.758 5.818 1.00 32.52 H new ATOM 0 HB2 GLN A 147 -14.801 -13.043 8.426 1.00 35.44 H new ATOM 0 HB3 GLN A 147 -14.655 -14.642 7.722 1.00 35.44 H new ATOM 0 HG2 GLN A 147 -12.143 -14.490 8.032 1.00 11.04 H new ATOM 0 HG3 GLN A 147 -12.373 -12.959 8.852 1.00 11.04 H new ATOM 0 HE21 GLN A 147 -12.616 -16.434 9.082 1.00 54.21 H new ATOM 0 HE22 GLN A 147 -12.957 -16.503 10.814 1.00 54.21 H new ATOM 2407 N GLN A 148 -15.928 -11.639 6.114 1.00 24.30 N ATOM 2408 CA GLN A 148 -17.216 -11.241 5.496 1.00 35.30 C ATOM 2409 C GLN A 148 -17.008 -10.812 4.019 1.00 14.44 C ATOM 2410 O GLN A 148 -17.838 -11.107 3.161 1.00 30.23 O ATOM 2411 CB GLN A 148 -17.940 -10.117 6.311 1.00 21.31 C ATOM 2412 CG GLN A 148 -17.422 -8.682 6.078 1.00 72.35 C ATOM 2413 CD GLN A 148 -18.149 -7.617 6.904 1.00 14.43 C ATOM 2414 OE1 GLN A 148 -17.752 -7.289 8.009 1.00 3.34 O ATOM 2415 NE2 GLN A 148 -19.227 -7.079 6.377 1.00 5.54 N ATOM 0 H GLN A 148 -15.597 -10.998 6.835 1.00 24.30 H new ATOM 0 HA GLN A 148 -17.867 -12.115 5.513 1.00 35.30 H new ATOM 0 HB2 GLN A 148 -19.002 -10.144 6.068 1.00 21.31 H new ATOM 0 HB3 GLN A 148 -17.850 -10.348 7.372 1.00 21.31 H new ATOM 0 HG2 GLN A 148 -16.359 -8.647 6.314 1.00 72.35 H new ATOM 0 HG3 GLN A 148 -17.522 -8.438 5.020 1.00 72.35 H new ATOM 0 HE21 GLN A 148 -19.541 -7.369 5.451 1.00 5.54 H new ATOM 0 HE22 GLN A 148 -19.749 -6.372 6.894 1.00 5.54 H new ATOM 2424 N GLN A 149 -15.872 -10.135 3.734 1.00 52.22 N ATOM 2425 CA GLN A 149 -15.491 -9.759 2.356 1.00 11.20 C ATOM 2426 C GLN A 149 -15.131 -11.011 1.542 1.00 41.15 C ATOM 2427 O GLN A 149 -15.412 -11.062 0.356 1.00 43.20 O ATOM 2428 CB GLN A 149 -14.300 -8.760 2.330 1.00 4.13 C ATOM 2429 CG GLN A 149 -14.565 -7.402 3.012 1.00 53.21 C ATOM 2430 CD GLN A 149 -15.729 -6.618 2.416 1.00 12.41 C ATOM 2431 OE1 GLN A 149 -16.921 -6.803 2.950 1.00 52.43 O flip ATOM 2432 NE2 GLN A 149 -15.554 -5.842 1.493 1.00 74.31 N flip ATOM 0 H GLN A 149 -15.202 -9.838 4.444 1.00 52.22 H new ATOM 0 HA GLN A 149 -16.353 -9.264 1.909 1.00 11.20 H new ATOM 0 HB2 GLN A 149 -13.443 -9.229 2.813 1.00 4.13 H new ATOM 0 HB3 GLN A 149 -14.022 -8.579 1.292 1.00 4.13 H new ATOM 0 HG2 GLN A 149 -14.761 -7.572 4.071 1.00 53.21 H new ATOM 0 HG3 GLN A 149 -13.662 -6.794 2.949 1.00 53.21 H new ATOM 0 HE21 GLN A 149 -14.621 -5.719 1.100 1.00 74.31 H new ATOM 0 HE22 GLN A 149 -16.341 -5.315 1.114 1.00 74.31 H new ATOM 2441 N TYR A 150 -14.506 -12.004 2.213 1.00 15.44 N ATOM 2442 CA TYR A 150 -14.148 -13.302 1.606 1.00 22.50 C ATOM 2443 C TYR A 150 -15.398 -14.041 1.093 1.00 24.14 C ATOM 2444 O TYR A 150 -15.452 -14.387 -0.075 1.00 43.11 O ATOM 2445 CB TYR A 150 -13.369 -14.183 2.620 1.00 12.04 C ATOM 2446 CG TYR A 150 -12.843 -15.528 2.076 1.00 62.33 C ATOM 2447 CD1 TYR A 150 -11.638 -15.597 1.373 1.00 45.30 C ATOM 2448 CD2 TYR A 150 -13.534 -16.731 2.280 1.00 43.13 C ATOM 2449 CE1 TYR A 150 -11.142 -16.795 0.895 1.00 2.44 C ATOM 2450 CE2 TYR A 150 -13.037 -17.935 1.804 1.00 34.11 C ATOM 2451 CZ TYR A 150 -11.842 -17.962 1.113 1.00 53.14 C ATOM 2452 OH TYR A 150 -11.344 -19.161 0.643 1.00 61.34 O ATOM 0 H TYR A 150 -14.236 -11.926 3.193 1.00 15.44 H new ATOM 0 HA TYR A 150 -13.502 -13.105 0.751 1.00 22.50 H new ATOM 0 HB2 TYR A 150 -12.522 -13.609 2.996 1.00 12.04 H new ATOM 0 HB3 TYR A 150 -14.019 -14.386 3.471 1.00 12.04 H new ATOM 0 HD1 TYR A 150 -11.079 -14.690 1.198 1.00 45.30 H new ATOM 0 HD2 TYR A 150 -14.471 -16.720 2.818 1.00 43.13 H new ATOM 0 HE1 TYR A 150 -10.209 -16.817 0.352 1.00 2.44 H new ATOM 0 HE2 TYR A 150 -13.584 -18.851 1.974 1.00 34.11 H new ATOM 0 HH TYR A 150 -11.958 -19.886 0.882 1.00 61.34 H new ATOM 2462 N ARG A 151 -16.407 -14.249 1.971 1.00 23.12 N ATOM 2463 CA ARG A 151 -17.633 -15.014 1.617 1.00 23.22 C ATOM 2464 C ARG A 151 -18.492 -14.291 0.536 1.00 22.42 C ATOM 2465 O ARG A 151 -19.042 -14.942 -0.372 1.00 24.15 O ATOM 2466 CB ARG A 151 -18.488 -15.320 2.877 1.00 1.41 C ATOM 2467 CG ARG A 151 -19.084 -14.092 3.596 1.00 53.12 C ATOM 2468 CD ARG A 151 -20.122 -14.476 4.661 1.00 41.44 C ATOM 2469 NE ARG A 151 -21.280 -15.165 4.062 1.00 31.22 N ATOM 2470 CZ ARG A 151 -22.220 -15.805 4.727 1.00 71.33 C ATOM 2471 NH1 ARG A 151 -22.188 -15.915 6.021 1.00 64.44 N ATOM 2472 NH2 ARG A 151 -23.201 -16.344 4.082 1.00 63.55 N ATOM 0 H ARG A 151 -16.399 -13.900 2.929 1.00 23.12 H new ATOM 0 HA ARG A 151 -17.298 -15.958 1.187 1.00 23.22 H new ATOM 0 HB2 ARG A 151 -19.305 -15.980 2.587 1.00 1.41 H new ATOM 0 HB3 ARG A 151 -17.871 -15.870 3.588 1.00 1.41 H new ATOM 0 HG2 ARG A 151 -18.280 -13.525 4.066 1.00 53.12 H new ATOM 0 HG3 ARG A 151 -19.549 -13.436 2.861 1.00 53.12 H new ATOM 0 HD2 ARG A 151 -19.658 -15.122 5.406 1.00 41.44 H new ATOM 0 HD3 ARG A 151 -20.460 -13.580 5.182 1.00 41.44 H new ATOM 0 HE ARG A 151 -21.360 -15.144 3.045 1.00 31.22 H new ATOM 0 HH11 ARG A 151 -21.421 -15.500 6.549 1.00 64.44 H new ATOM 0 HH12 ARG A 151 -22.930 -16.417 6.509 1.00 64.44 H new ATOM 0 HH21 ARG A 151 -23.244 -16.272 3.065 1.00 63.55 H new ATOM 0 HH22 ARG A 151 -23.933 -16.841 4.589 1.00 63.55 H new ATOM 2486 N LEU A 152 -18.579 -12.941 0.624 1.00 15.02 N ATOM 2487 CA LEU A 152 -19.266 -12.111 -0.396 1.00 4.14 C ATOM 2488 C LEU A 152 -18.511 -12.185 -1.736 1.00 30.43 C ATOM 2489 O LEU A 152 -19.114 -12.167 -2.795 1.00 14.45 O ATOM 2490 CB LEU A 152 -19.370 -10.628 0.070 1.00 32.34 C ATOM 2491 CG LEU A 152 -20.299 -10.354 1.296 1.00 32.22 C ATOM 2492 CD1 LEU A 152 -20.207 -8.876 1.750 1.00 41.33 C ATOM 2493 CD2 LEU A 152 -21.764 -10.765 1.000 1.00 24.34 C ATOM 0 H LEU A 152 -18.181 -12.403 1.393 1.00 15.02 H new ATOM 0 HA LEU A 152 -20.275 -12.503 -0.528 1.00 4.14 H new ATOM 0 HB2 LEU A 152 -18.368 -10.274 0.313 1.00 32.34 H new ATOM 0 HB3 LEU A 152 -19.724 -10.029 -0.769 1.00 32.34 H new ATOM 0 HG LEU A 152 -19.947 -10.974 2.120 1.00 32.22 H new ATOM 0 HD11 LEU A 152 -20.864 -8.716 2.605 1.00 41.33 H new ATOM 0 HD12 LEU A 152 -19.180 -8.646 2.034 1.00 41.33 H new ATOM 0 HD13 LEU A 152 -20.512 -8.224 0.931 1.00 41.33 H new ATOM 0 HD21 LEU A 152 -22.383 -10.561 1.874 1.00 24.34 H new ATOM 0 HD22 LEU A 152 -22.137 -10.194 0.150 1.00 24.34 H new ATOM 0 HD23 LEU A 152 -21.804 -11.829 0.768 1.00 24.34 H new ATOM 2505 N PHE A 153 -17.180 -12.247 -1.654 1.00 44.33 N ATOM 2506 CA PHE A 153 -16.307 -12.460 -2.820 1.00 20.24 C ATOM 2507 C PHE A 153 -16.537 -13.864 -3.453 1.00 30.25 C ATOM 2508 O PHE A 153 -16.536 -13.996 -4.682 1.00 52.21 O ATOM 2509 CB PHE A 153 -14.832 -12.276 -2.386 1.00 24.32 C ATOM 2510 CG PHE A 153 -13.886 -11.959 -3.517 1.00 64.41 C ATOM 2511 CD1 PHE A 153 -13.332 -12.965 -4.290 1.00 4.34 C ATOM 2512 CD2 PHE A 153 -13.558 -10.639 -3.813 1.00 72.42 C ATOM 2513 CE1 PHE A 153 -12.490 -12.663 -5.321 1.00 44.04 C ATOM 2514 CE2 PHE A 153 -12.709 -10.342 -4.851 1.00 43.42 C ATOM 2515 CZ PHE A 153 -12.178 -11.352 -5.603 1.00 14.31 C ATOM 0 H PHE A 153 -16.671 -12.151 -0.775 1.00 44.33 H new ATOM 0 HA PHE A 153 -16.551 -11.725 -3.587 1.00 20.24 H new ATOM 0 HB2 PHE A 153 -14.780 -11.475 -1.649 1.00 24.32 H new ATOM 0 HB3 PHE A 153 -14.495 -13.187 -1.891 1.00 24.32 H new ATOM 0 HD1 PHE A 153 -13.568 -13.997 -4.076 1.00 4.34 H new ATOM 0 HD2 PHE A 153 -13.976 -9.839 -3.220 1.00 72.42 H new ATOM 0 HE1 PHE A 153 -12.066 -13.457 -5.919 1.00 44.04 H new ATOM 0 HE2 PHE A 153 -12.462 -9.314 -5.072 1.00 43.42 H new ATOM 0 HZ PHE A 153 -11.512 -11.121 -6.421 1.00 14.31 H new ATOM 2525 N GLN A 154 -16.760 -14.896 -2.595 1.00 12.41 N ATOM 2526 CA GLN A 154 -16.969 -16.295 -3.050 1.00 13.21 C ATOM 2527 C GLN A 154 -18.296 -16.440 -3.813 1.00 12.33 C ATOM 2528 O GLN A 154 -18.359 -17.151 -4.830 1.00 53.42 O ATOM 2529 CB GLN A 154 -16.912 -17.328 -1.881 1.00 32.42 C ATOM 2530 CG GLN A 154 -15.620 -17.292 -1.039 1.00 22.53 C ATOM 2531 CD GLN A 154 -14.329 -17.280 -1.866 1.00 43.21 C ATOM 2532 OE1 GLN A 154 -14.203 -17.959 -2.880 1.00 75.13 O ATOM 2533 NE2 GLN A 154 -13.398 -16.440 -1.478 1.00 11.54 N ATOM 0 H GLN A 154 -16.799 -14.783 -1.582 1.00 12.41 H new ATOM 0 HA GLN A 154 -16.142 -16.519 -3.724 1.00 13.21 H new ATOM 0 HB2 GLN A 154 -17.762 -17.154 -1.221 1.00 32.42 H new ATOM 0 HB3 GLN A 154 -17.029 -18.329 -2.295 1.00 32.42 H new ATOM 0 HG2 GLN A 154 -15.639 -16.407 -0.403 1.00 22.53 H new ATOM 0 HG3 GLN A 154 -15.606 -18.159 -0.378 1.00 22.53 H new ATOM 0 HE21 GLN A 154 -13.530 -15.888 -0.630 1.00 11.54 H new ATOM 0 HE22 GLN A 154 -12.542 -16.339 -2.024 1.00 11.54 H new ATOM 2542 N THR A 155 -19.347 -15.723 -3.345 1.00 23.01 N ATOM 2543 CA THR A 155 -20.659 -15.748 -4.030 1.00 42.22 C ATOM 2544 C THR A 155 -20.570 -15.068 -5.421 1.00 45.03 C ATOM 2545 O THR A 155 -21.300 -15.429 -6.331 1.00 61.25 O ATOM 2546 CB THR A 155 -21.837 -15.137 -3.188 1.00 10.10 C ATOM 2547 OG1 THR A 155 -23.104 -15.522 -3.761 1.00 32.25 O ATOM 2548 CG2 THR A 155 -21.798 -13.607 -3.091 1.00 34.00 C ATOM 0 H THR A 155 -19.313 -15.133 -2.514 1.00 23.01 H new ATOM 0 HA THR A 155 -20.902 -16.803 -4.157 1.00 42.22 H new ATOM 0 HB THR A 155 -21.717 -15.534 -2.180 1.00 10.10 H new ATOM 0 HG1 THR A 155 -23.219 -15.080 -4.628 1.00 32.25 H new ATOM 0 HG21 THR A 155 -22.642 -13.259 -2.495 1.00 34.00 H new ATOM 0 HG22 THR A 155 -20.867 -13.296 -2.618 1.00 34.00 H new ATOM 0 HG23 THR A 155 -21.858 -13.177 -4.091 1.00 34.00 H new ATOM 2556 N ARG A 156 -19.633 -14.105 -5.586 1.00 73.15 N ATOM 2557 CA ARG A 156 -19.394 -13.432 -6.882 1.00 14.44 C ATOM 2558 C ARG A 156 -18.722 -14.382 -7.901 1.00 54.31 C ATOM 2559 O ARG A 156 -19.248 -14.591 -8.997 1.00 30.02 O ATOM 2560 CB ARG A 156 -18.520 -12.168 -6.670 1.00 64.14 C ATOM 2561 CG ARG A 156 -19.141 -11.135 -5.706 1.00 75.12 C ATOM 2562 CD ARG A 156 -18.163 -10.019 -5.310 1.00 34.20 C ATOM 2563 NE ARG A 156 -18.653 -9.244 -4.155 1.00 31.12 N ATOM 2564 CZ ARG A 156 -17.919 -8.437 -3.412 1.00 75.34 C ATOM 2565 NH1 ARG A 156 -16.663 -8.247 -3.660 1.00 42.55 N ATOM 2566 NH2 ARG A 156 -18.446 -7.833 -2.401 1.00 73.12 N ATOM 0 H ARG A 156 -19.028 -13.776 -4.833 1.00 73.15 H new ATOM 0 HA ARG A 156 -20.361 -13.138 -7.291 1.00 14.44 H new ATOM 0 HB2 ARG A 156 -17.547 -12.471 -6.284 1.00 64.14 H new ATOM 0 HB3 ARG A 156 -18.346 -11.692 -7.635 1.00 64.14 H new ATOM 0 HG2 ARG A 156 -20.019 -10.691 -6.175 1.00 75.12 H new ATOM 0 HG3 ARG A 156 -19.484 -11.646 -4.806 1.00 75.12 H new ATOM 0 HD2 ARG A 156 -17.193 -10.454 -5.070 1.00 34.20 H new ATOM 0 HD3 ARG A 156 -18.012 -9.351 -6.158 1.00 34.20 H new ATOM 0 HE ARG A 156 -19.639 -9.339 -3.911 1.00 31.12 H new ATOM 0 HH11 ARG A 156 -16.220 -8.726 -4.444 1.00 42.55 H new ATOM 0 HH12 ARG A 156 -16.116 -7.618 -3.071 1.00 42.55 H new ATOM 0 HH21 ARG A 156 -19.430 -7.979 -2.176 1.00 73.12 H new ATOM 0 HH22 ARG A 156 -17.879 -7.209 -1.827 1.00 73.12 H new ATOM 2580 N LEU A 157 -17.575 -14.982 -7.508 1.00 4.31 N ATOM 2581 CA LEU A 157 -16.766 -15.838 -8.413 1.00 11.53 C ATOM 2582 C LEU A 157 -17.478 -17.163 -8.793 1.00 14.02 C ATOM 2583 O LEU A 157 -17.207 -17.725 -9.865 1.00 40.21 O ATOM 2584 CB LEU A 157 -15.335 -16.077 -7.833 1.00 32.10 C ATOM 2585 CG LEU A 157 -15.209 -16.576 -6.348 1.00 53.14 C ATOM 2586 CD1 LEU A 157 -15.547 -18.078 -6.174 1.00 51.15 C ATOM 2587 CD2 LEU A 157 -13.815 -16.242 -5.769 1.00 71.30 C ATOM 0 H LEU A 157 -17.187 -14.890 -6.569 1.00 4.31 H new ATOM 0 HA LEU A 157 -16.654 -15.290 -9.349 1.00 11.53 H new ATOM 0 HB2 LEU A 157 -14.834 -16.804 -8.472 1.00 32.10 H new ATOM 0 HB3 LEU A 157 -14.781 -15.142 -7.918 1.00 32.10 H new ATOM 0 HG LEU A 157 -15.962 -16.032 -5.777 1.00 53.14 H new ATOM 0 HD11 LEU A 157 -15.440 -18.356 -5.126 1.00 51.15 H new ATOM 0 HD12 LEU A 157 -16.573 -18.260 -6.495 1.00 51.15 H new ATOM 0 HD13 LEU A 157 -14.866 -18.677 -6.779 1.00 51.15 H new ATOM 0 HD21 LEU A 157 -13.753 -16.598 -4.741 1.00 71.30 H new ATOM 0 HD22 LEU A 157 -13.046 -16.729 -6.368 1.00 71.30 H new ATOM 0 HD23 LEU A 157 -13.661 -15.163 -5.790 1.00 71.30 H new ATOM 2599 N THR A 158 -18.378 -17.666 -7.916 1.00 60.34 N ATOM 2600 CA THR A 158 -19.215 -18.854 -8.253 1.00 14.33 C ATOM 2601 C THR A 158 -20.380 -18.491 -9.218 1.00 54.25 C ATOM 2602 O THR A 158 -20.843 -19.343 -9.980 1.00 24.24 O ATOM 2603 CB THR A 158 -19.782 -19.588 -6.983 1.00 75.25 C ATOM 2604 OG1 THR A 158 -20.399 -20.838 -7.362 1.00 50.51 O ATOM 2605 CG2 THR A 158 -20.805 -18.741 -6.212 1.00 22.04 C ATOM 0 H THR A 158 -18.546 -17.281 -6.986 1.00 60.34 H new ATOM 0 HA THR A 158 -18.542 -19.545 -8.760 1.00 14.33 H new ATOM 0 HB THR A 158 -18.932 -19.765 -6.324 1.00 75.25 H new ATOM 0 HG1 THR A 158 -20.747 -21.287 -6.563 1.00 50.51 H new ATOM 0 HG21 THR A 158 -21.161 -19.299 -5.346 1.00 22.04 H new ATOM 0 HG22 THR A 158 -20.334 -17.816 -5.879 1.00 22.04 H new ATOM 0 HG23 THR A 158 -21.647 -18.505 -6.863 1.00 22.04 H new ATOM 2613 N GLU A 159 -20.845 -17.219 -9.183 1.00 4.14 N ATOM 2614 CA GLU A 159 -21.939 -16.729 -10.071 1.00 34.41 C ATOM 2615 C GLU A 159 -21.407 -16.130 -11.404 1.00 30.33 C ATOM 2616 O GLU A 159 -22.196 -15.869 -12.317 1.00 43.25 O ATOM 2617 CB GLU A 159 -22.839 -15.697 -9.325 1.00 22.22 C ATOM 2618 CG GLU A 159 -23.674 -16.305 -8.170 1.00 14.23 C ATOM 2619 CD GLU A 159 -24.564 -15.273 -7.448 1.00 25.11 C ATOM 2620 OE1 GLU A 159 -24.069 -14.564 -6.546 1.00 71.40 O ATOM 2621 OE2 GLU A 159 -25.764 -15.164 -7.781 1.00 1.23 O ATOM 0 H GLU A 159 -20.481 -16.508 -8.549 1.00 4.14 H new ATOM 0 HA GLU A 159 -22.542 -17.598 -10.333 1.00 34.41 H new ATOM 0 HB2 GLU A 159 -22.208 -14.903 -8.924 1.00 22.22 H new ATOM 0 HB3 GLU A 159 -23.515 -15.234 -10.044 1.00 22.22 H new ATOM 0 HG2 GLU A 159 -24.303 -17.102 -8.567 1.00 14.23 H new ATOM 0 HG3 GLU A 159 -23.000 -16.762 -7.446 1.00 14.23 H new ATOM 2628 N THR A 160 -20.081 -15.895 -11.507 1.00 44.13 N ATOM 2629 CA THR A 160 -19.435 -15.459 -12.781 1.00 54.15 C ATOM 2630 C THR A 160 -19.197 -16.669 -13.736 1.00 63.03 C ATOM 2631 O THR A 160 -19.943 -16.821 -14.732 1.00 35.42 O ATOM 2632 CB THR A 160 -18.078 -14.696 -12.528 1.00 62.24 C ATOM 2633 OG1 THR A 160 -17.211 -15.466 -11.678 1.00 51.21 O ATOM 2634 CG2 THR A 160 -18.302 -13.315 -11.895 1.00 60.13 C ATOM 2635 OXT THR A 160 -18.289 -17.485 -13.465 1.00 37.98 O ATOM 0 H THR A 160 -19.431 -15.998 -10.728 1.00 44.13 H new ATOM 0 HA THR A 160 -20.126 -14.764 -13.258 1.00 54.15 H new ATOM 0 HB THR A 160 -17.612 -14.557 -13.503 1.00 62.24 H new ATOM 0 HG1 THR A 160 -17.243 -16.408 -11.945 1.00 51.21 H new ATOM 0 HG21 THR A 160 -17.340 -12.826 -11.739 1.00 60.13 H new ATOM 0 HG22 THR A 160 -18.915 -12.706 -12.559 1.00 60.13 H new ATOM 0 HG23 THR A 160 -18.809 -13.432 -10.937 1.00 60.13 H new TER 2643 THR A 160