USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1007 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 66 ASN : amide:sc= -3.28! C(o=-5.4!,f=-9!) USER MOD Set 1.2: A 70 TYR OH : rot -6:sc= -2.07! USER MOD Set 2.1: A 54 THR OG1 : rot 6:sc= 0.575 USER MOD Set 2.2: A 57 SER OG : rot 31:sc= 0.752 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.079 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 21:sc= 0.271 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 52:sc= 0.879 USER MOD Single : A 14 THR OG1 : rot -68:sc= 1.16 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0812 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.214 K(o=-0.21,f=-1.8!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -7.2! C(o=-7.2!,f=-16!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= -0.116 (180deg=-0.477) USER MOD Single : A 35 TYR OH : rot 165:sc= -0.978 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -111:sc= -0.827 USER MOD Single : A 42 HIS : no HD1:sc= -0.794 K(o=-0.79,f=-1.8) USER MOD Single : A 43 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.9!) USER MOD Single : A 46 THR OG1 : rot -31:sc= 0.693 USER MOD Single : A 48 ASN : amide:sc= -3.76! X(o=-3.8!,f=-3.3) USER MOD Single : A 50 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.013) USER MOD Single : A 52 HIS : no HD1:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 170:sc= 0.206 USER MOD Single : A 71 SER OG : rot -60:sc= 1.28 USER MOD Single : A 72 MET CE :methyl -141:sc= -7.35! (180deg=-11.4!) USER MOD Single : A 75 ASN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -3.49! C(o=-5.2!,f=-3.5!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 68:sc= 0.611 USER MOD Single : A 87 SER OG : rot -49:sc= -0.0677 USER MOD Single : A 88 LYS NZ :NH3+ -143:sc= -0.54 (180deg=-2.36!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00353) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 3:sc= 0.268! USER MOD Single : A 99 CYS SG : rot 180:sc= -0.798 USER MOD Single : A 101 LYS NZ :NH3+ 159:sc= -3.24! (180deg=-5.24!) USER MOD Single : A 102 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.159) USER MOD Single : A 105 ASN : amide:sc= -0.0333 K(o=-0.033,f=-1.4!) USER MOD Single : A 106 THR OG1 : rot -150:sc= -0.332 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc=-0.00775 X(o=-0.0078,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 43:sc= 0.374 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.058 -24.919 33.756 1.00 0.00 N ATOM 2 CA GLY A 1 -2.373 -24.609 35.139 1.00 0.00 C ATOM 3 C GLY A 1 -2.790 -23.144 35.292 1.00 0.00 C ATOM 4 O GLY A 1 -2.544 -22.330 34.403 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.701 -25.660 33.411 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.171 -24.064 33.174 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.076 -25.255 33.691 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.177 -25.258 35.487 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.506 -24.811 35.767 1.00 0.00 H new ATOM 8 N SER A 2 -3.413 -22.854 36.424 1.00 0.00 N ATOM 9 CA SER A 2 -3.866 -21.502 36.704 1.00 0.00 C ATOM 10 C SER A 2 -3.875 -21.255 38.214 1.00 0.00 C ATOM 11 O SER A 2 -4.432 -22.046 38.973 1.00 0.00 O ATOM 12 CB SER A 2 -5.258 -21.255 36.118 1.00 0.00 C ATOM 13 OG SER A 2 -5.819 -20.028 36.575 1.00 0.00 O ATOM 0 H SER A 2 -3.615 -23.532 37.159 1.00 0.00 H new ATOM 0 HA SER A 2 -3.173 -20.805 36.232 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.196 -21.242 35.030 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.918 -22.079 36.390 1.00 0.00 H new ATOM 0 HG SER A 2 -6.706 -19.906 36.177 1.00 0.00 H new ATOM 19 N SER A 3 -3.250 -20.154 38.605 1.00 0.00 N ATOM 20 CA SER A 3 -3.178 -19.793 40.010 1.00 0.00 C ATOM 21 C SER A 3 -3.980 -18.515 40.264 1.00 0.00 C ATOM 22 O SER A 3 -3.727 -17.485 39.640 1.00 0.00 O ATOM 23 CB SER A 3 -1.727 -19.607 40.458 1.00 0.00 C ATOM 24 OG SER A 3 -1.078 -18.558 39.745 1.00 0.00 O ATOM 0 H SER A 3 -2.789 -19.500 37.973 1.00 0.00 H new ATOM 0 HA SER A 3 -3.608 -20.607 40.594 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.702 -19.389 41.526 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.180 -20.538 40.310 1.00 0.00 H new ATOM 0 HG SER A 3 -1.751 -17.957 39.363 1.00 0.00 H new ATOM 30 N GLY A 4 -4.930 -18.622 41.180 1.00 0.00 N ATOM 31 CA GLY A 4 -5.770 -17.487 41.524 1.00 0.00 C ATOM 32 C GLY A 4 -7.169 -17.638 40.922 1.00 0.00 C ATOM 33 O GLY A 4 -8.153 -17.758 41.650 1.00 0.00 O ATOM 0 H GLY A 4 -5.137 -19.478 41.695 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.844 -17.400 42.608 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.311 -16.567 41.161 1.00 0.00 H new ATOM 37 N SER A 5 -7.212 -17.628 39.598 1.00 0.00 N ATOM 38 CA SER A 5 -8.474 -17.763 38.889 1.00 0.00 C ATOM 39 C SER A 5 -9.246 -16.443 38.941 1.00 0.00 C ATOM 40 O SER A 5 -9.837 -16.105 39.966 1.00 0.00 O ATOM 41 CB SER A 5 -9.318 -18.895 39.478 1.00 0.00 C ATOM 42 OG SER A 5 -10.044 -19.598 38.473 1.00 0.00 O ATOM 0 H SER A 5 -6.394 -17.529 38.997 1.00 0.00 H new ATOM 0 HA SER A 5 -8.258 -18.010 37.850 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.670 -19.591 40.011 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.015 -18.485 40.209 1.00 0.00 H new ATOM 0 HG SER A 5 -10.569 -20.314 38.889 1.00 0.00 H new ATOM 48 N SER A 6 -9.217 -15.733 37.823 1.00 0.00 N ATOM 49 CA SER A 6 -9.907 -14.457 37.728 1.00 0.00 C ATOM 50 C SER A 6 -10.838 -14.455 36.514 1.00 0.00 C ATOM 51 O SER A 6 -10.382 -14.568 35.377 1.00 0.00 O ATOM 52 CB SER A 6 -8.913 -13.299 37.636 1.00 0.00 C ATOM 53 OG SER A 6 -9.239 -12.242 38.536 1.00 0.00 O ATOM 0 H SER A 6 -8.727 -16.017 36.975 1.00 0.00 H new ATOM 0 HA SER A 6 -10.499 -14.320 38.633 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.910 -13.664 37.854 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.897 -12.915 36.616 1.00 0.00 H new ATOM 0 HG SER A 6 -8.580 -11.522 38.448 1.00 0.00 H new ATOM 59 N GLY A 7 -12.126 -14.326 36.796 1.00 0.00 N ATOM 60 CA GLY A 7 -13.125 -14.307 35.741 1.00 0.00 C ATOM 61 C GLY A 7 -13.195 -12.931 35.076 1.00 0.00 C ATOM 62 O GLY A 7 -14.182 -12.213 35.229 1.00 0.00 O ATOM 0 H GLY A 7 -12.501 -14.234 37.740 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.885 -15.064 34.994 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.100 -14.565 36.154 1.00 0.00 H new ATOM 66 N VAL A 8 -12.134 -12.605 34.352 1.00 0.00 N ATOM 67 CA VAL A 8 -12.063 -11.328 33.662 1.00 0.00 C ATOM 68 C VAL A 8 -11.642 -11.560 32.210 1.00 0.00 C ATOM 69 O VAL A 8 -10.482 -11.866 31.938 1.00 0.00 O ATOM 70 CB VAL A 8 -11.125 -10.380 34.413 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.700 -10.009 35.781 1.00 0.00 C ATOM 72 CG2 VAL A 8 -9.728 -10.988 34.552 1.00 0.00 C ATOM 0 H VAL A 8 -11.317 -13.203 34.228 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.042 -10.849 33.643 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.036 -9.464 33.828 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.014 -9.335 36.293 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.663 -9.515 35.649 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.834 -10.912 36.377 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.081 -10.294 35.089 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.793 -11.926 35.104 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.314 -11.178 33.562 1.00 0.00 H new ATOM 82 N VAL A 9 -12.607 -11.405 31.315 1.00 0.00 N ATOM 83 CA VAL A 9 -12.350 -11.594 29.898 1.00 0.00 C ATOM 84 C VAL A 9 -12.922 -10.408 29.118 1.00 0.00 C ATOM 85 O VAL A 9 -13.949 -9.848 29.498 1.00 0.00 O ATOM 86 CB VAL A 9 -12.915 -12.939 29.438 1.00 0.00 C ATOM 87 CG1 VAL A 9 -14.445 -12.920 29.437 1.00 0.00 C ATOM 88 CG2 VAL A 9 -12.370 -13.321 28.061 1.00 0.00 C ATOM 0 H VAL A 9 -13.568 -11.151 31.544 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.278 -11.624 29.705 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.590 -13.699 30.149 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.821 -13.888 29.106 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -14.807 -12.715 30.445 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -14.799 -12.143 28.760 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.788 -14.281 27.758 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.650 -12.558 27.335 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.284 -13.396 28.108 1.00 0.00 H new ATOM 98 N ALA A 10 -12.232 -10.060 28.042 1.00 0.00 N ATOM 99 CA ALA A 10 -12.658 -8.951 27.206 1.00 0.00 C ATOM 100 C ALA A 10 -12.761 -9.422 25.754 1.00 0.00 C ATOM 101 O ALA A 10 -11.751 -9.528 25.059 1.00 0.00 O ATOM 102 CB ALA A 10 -11.684 -7.782 27.372 1.00 0.00 C ATOM 0 H ALA A 10 -11.380 -10.527 27.730 1.00 0.00 H new ATOM 0 HA ALA A 10 -13.644 -8.599 27.509 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.004 -6.950 26.745 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.670 -7.465 28.415 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.684 -8.097 27.075 1.00 0.00 H new ATOM 108 N PRO A 11 -14.022 -9.700 25.327 1.00 0.00 N ATOM 109 CA PRO A 11 -14.269 -10.157 23.971 1.00 0.00 C ATOM 110 C PRO A 11 -14.148 -9.005 22.972 1.00 0.00 C ATOM 111 O PRO A 11 -14.772 -7.959 23.147 1.00 0.00 O ATOM 112 CB PRO A 11 -15.662 -10.766 24.009 1.00 0.00 C ATOM 113 CG PRO A 11 -16.324 -10.214 25.261 1.00 0.00 C ATOM 114 CD PRO A 11 -15.241 -9.585 26.122 1.00 0.00 C ATOM 0 HA PRO A 11 -13.536 -10.891 23.635 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.229 -10.499 23.117 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.612 -11.854 24.041 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -17.080 -9.474 24.998 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -16.832 -11.009 25.807 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.470 -8.543 26.348 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.142 -10.104 27.076 1.00 0.00 H new ATOM 122 N ILE A 12 -13.341 -9.234 21.947 1.00 0.00 N ATOM 123 CA ILE A 12 -13.130 -8.227 20.921 1.00 0.00 C ATOM 124 C ILE A 12 -14.443 -7.984 20.174 1.00 0.00 C ATOM 125 O ILE A 12 -15.341 -8.824 20.200 1.00 0.00 O ATOM 126 CB ILE A 12 -11.969 -8.628 20.009 1.00 0.00 C ATOM 127 CG1 ILE A 12 -12.149 -10.054 19.486 1.00 0.00 C ATOM 128 CG2 ILE A 12 -10.625 -8.442 20.717 1.00 0.00 C ATOM 129 CD1 ILE A 12 -12.261 -10.069 17.960 1.00 0.00 C ATOM 0 H ILE A 12 -12.825 -10.102 21.805 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.839 -7.278 21.372 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.971 -7.965 19.143 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.305 -10.669 19.798 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -13.044 -10.495 19.924 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.817 -8.734 20.046 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -10.503 -7.396 20.997 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.596 -9.063 21.612 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.388 -11.095 17.615 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -13.120 -9.473 17.652 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.354 -9.649 17.524 1.00 0.00 H new ATOM 141 N THR A 13 -14.513 -6.830 19.527 1.00 0.00 N ATOM 142 CA THR A 13 -15.701 -6.465 18.774 1.00 0.00 C ATOM 143 C THR A 13 -15.339 -6.170 17.317 1.00 0.00 C ATOM 144 O THR A 13 -14.990 -5.040 16.977 1.00 0.00 O ATOM 145 CB THR A 13 -16.368 -5.286 19.486 1.00 0.00 C ATOM 146 OG1 THR A 13 -15.358 -4.282 19.515 1.00 0.00 O ATOM 147 CG2 THR A 13 -16.649 -5.576 20.962 1.00 0.00 C ATOM 0 H THR A 13 -13.766 -6.135 19.509 1.00 0.00 H new ATOM 0 HA THR A 13 -16.415 -7.288 18.738 1.00 0.00 H new ATOM 0 HB THR A 13 -17.302 -5.038 18.981 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.005 -4.147 18.611 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.122 -4.707 21.420 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.313 -6.436 21.044 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.712 -5.791 21.475 1.00 0.00 H new ATOM 155 N THR A 14 -15.436 -7.204 16.495 1.00 0.00 N ATOM 156 CA THR A 14 -15.124 -7.070 15.083 1.00 0.00 C ATOM 157 C THR A 14 -13.924 -6.141 14.888 1.00 0.00 C ATOM 158 O THR A 14 -14.088 -4.932 14.735 1.00 0.00 O ATOM 159 CB THR A 14 -16.386 -6.591 14.363 1.00 0.00 C ATOM 160 OG1 THR A 14 -15.898 -5.707 13.357 1.00 0.00 O ATOM 161 CG2 THR A 14 -17.262 -5.701 15.247 1.00 0.00 C ATOM 0 H THR A 14 -15.727 -8.139 16.780 1.00 0.00 H new ATOM 0 HA THR A 14 -14.829 -8.026 14.651 1.00 0.00 H new ATOM 0 HB THR A 14 -16.963 -7.454 14.030 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.525 -4.905 13.779 1.00 0.00 H new ATOM 0 HG21 THR A 14 -18.144 -5.389 14.688 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.571 -6.258 16.131 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.696 -4.821 15.552 1.00 0.00 H new ATOM 169 N GLY A 15 -12.743 -6.742 14.899 1.00 0.00 N ATOM 170 CA GLY A 15 -11.516 -5.984 14.726 1.00 0.00 C ATOM 171 C GLY A 15 -10.528 -6.736 13.833 1.00 0.00 C ATOM 172 O GLY A 15 -9.959 -7.747 14.243 1.00 0.00 O ATOM 0 H GLY A 15 -12.610 -7.745 15.025 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.743 -5.013 14.286 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.061 -5.795 15.698 1.00 0.00 H new ATOM 176 N TYR A 16 -10.353 -6.215 12.627 1.00 0.00 N ATOM 177 CA TYR A 16 -9.444 -6.825 11.672 1.00 0.00 C ATOM 178 C TYR A 16 -9.206 -5.903 10.475 1.00 0.00 C ATOM 179 O TYR A 16 -9.874 -4.879 10.333 1.00 0.00 O ATOM 180 CB TYR A 16 -10.134 -8.102 11.189 1.00 0.00 C ATOM 181 CG TYR A 16 -11.004 -7.906 9.945 1.00 0.00 C ATOM 182 CD1 TYR A 16 -11.768 -6.765 9.810 1.00 0.00 C ATOM 183 CD2 TYR A 16 -11.024 -8.871 8.958 1.00 0.00 C ATOM 184 CE1 TYR A 16 -12.586 -6.581 8.639 1.00 0.00 C ATOM 185 CE2 TYR A 16 -11.842 -8.687 7.788 1.00 0.00 C ATOM 186 CZ TYR A 16 -12.583 -7.551 7.686 1.00 0.00 C ATOM 187 OH TYR A 16 -13.356 -7.377 6.581 1.00 0.00 O ATOM 0 H TYR A 16 -10.826 -5.377 12.290 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.477 -7.022 12.135 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.375 -8.854 10.974 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.753 -8.495 11.995 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -11.753 -6.010 10.582 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.426 -9.764 9.064 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -13.188 -5.692 8.520 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -11.867 -9.434 7.009 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.254 -8.149 5.985 1.00 0.00 H new ATOM 197 N THR A 17 -8.254 -6.299 9.643 1.00 0.00 N ATOM 198 CA THR A 17 -7.920 -5.521 8.462 1.00 0.00 C ATOM 199 C THR A 17 -7.786 -6.434 7.242 1.00 0.00 C ATOM 200 O THR A 17 -7.339 -7.574 7.362 1.00 0.00 O ATOM 201 CB THR A 17 -6.652 -4.721 8.766 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.582 -4.707 10.189 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.784 -3.245 8.385 1.00 0.00 C ATOM 0 H THR A 17 -7.703 -7.149 9.763 1.00 0.00 H new ATOM 0 HA THR A 17 -8.714 -4.816 8.215 1.00 0.00 H new ATOM 0 HB THR A 17 -5.810 -5.160 8.230 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.787 -4.209 10.473 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.856 -2.724 8.622 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.985 -3.161 7.317 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.605 -2.797 8.945 1.00 0.00 H new ATOM 211 N VAL A 18 -8.180 -5.899 6.096 1.00 0.00 N ATOM 212 CA VAL A 18 -8.109 -6.651 4.855 1.00 0.00 C ATOM 213 C VAL A 18 -6.662 -6.674 4.360 1.00 0.00 C ATOM 214 O VAL A 18 -5.875 -5.789 4.690 1.00 0.00 O ATOM 215 CB VAL A 18 -9.082 -6.064 3.831 1.00 0.00 C ATOM 216 CG1 VAL A 18 -8.779 -6.587 2.425 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.532 -6.354 4.223 1.00 0.00 C ATOM 0 H VAL A 18 -8.550 -4.953 6.001 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.414 -7.685 5.017 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.948 -4.982 3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.485 -6.154 1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.764 -6.307 2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.872 -7.673 2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.203 -5.926 3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.687 -7.432 4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.741 -5.911 5.197 1.00 0.00 H new ATOM 227 N LYS A 19 -6.354 -7.697 3.576 1.00 0.00 N ATOM 228 CA LYS A 19 -5.016 -7.848 3.032 1.00 0.00 C ATOM 229 C LYS A 19 -5.029 -7.480 1.547 1.00 0.00 C ATOM 230 O LYS A 19 -5.599 -8.201 0.730 1.00 0.00 O ATOM 231 CB LYS A 19 -4.478 -9.252 3.313 1.00 0.00 C ATOM 232 CG LYS A 19 -3.275 -9.200 4.258 1.00 0.00 C ATOM 233 CD LYS A 19 -2.645 -10.585 4.419 1.00 0.00 C ATOM 234 CE LYS A 19 -1.673 -10.610 5.601 1.00 0.00 C ATOM 235 NZ LYS A 19 -1.346 -12.005 5.973 1.00 0.00 N ATOM 0 H LYS A 19 -7.009 -8.430 3.305 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.326 -7.163 3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.264 -9.865 3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.189 -9.729 2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.533 -8.502 3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.589 -8.824 5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.427 -11.329 4.571 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.118 -10.858 3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.761 -10.073 5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.114 -10.094 6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.686 -12.004 6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.217 -12.506 6.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.905 -12.486 5.163 1.00 0.00 H new ATOM 249 N ILE A 20 -4.393 -6.358 1.243 1.00 0.00 N ATOM 250 CA ILE A 20 -4.325 -5.885 -0.130 1.00 0.00 C ATOM 251 C ILE A 20 -3.434 -6.825 -0.945 1.00 0.00 C ATOM 252 O ILE A 20 -2.209 -6.748 -0.867 1.00 0.00 O ATOM 253 CB ILE A 20 -3.876 -4.423 -0.171 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.711 -3.565 0.781 1.00 0.00 C ATOM 255 CG2 ILE A 20 -3.901 -3.882 -1.602 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.311 -2.092 0.686 1.00 0.00 C ATOM 0 H ILE A 20 -3.920 -5.763 1.923 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.313 -5.904 -0.589 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.843 -4.373 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.769 -3.674 0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.578 -3.916 1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.578 -2.841 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.229 -4.472 -2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.914 -3.947 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.920 -1.505 1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.259 -1.983 0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.468 -1.737 -0.333 1.00 0.00 H new ATOM 268 N SER A 21 -4.085 -7.692 -1.707 1.00 0.00 N ATOM 269 CA SER A 21 -3.368 -8.646 -2.535 1.00 0.00 C ATOM 270 C SER A 21 -3.029 -8.015 -3.887 1.00 0.00 C ATOM 271 O SER A 21 -1.861 -7.933 -4.263 1.00 0.00 O ATOM 272 CB SER A 21 -4.184 -9.925 -2.735 1.00 0.00 C ATOM 273 OG SER A 21 -3.399 -11.097 -2.532 1.00 0.00 O ATOM 0 H SER A 21 -5.101 -7.753 -1.768 1.00 0.00 H new ATOM 0 HA SER A 21 -2.443 -8.914 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.027 -9.929 -2.044 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.599 -9.937 -3.743 1.00 0.00 H new ATOM 0 HG SER A 21 -3.956 -11.892 -2.667 1.00 0.00 H new ATOM 279 N ASN A 22 -4.073 -7.585 -4.581 1.00 0.00 N ATOM 280 CA ASN A 22 -3.901 -6.964 -5.884 1.00 0.00 C ATOM 281 C ASN A 22 -3.661 -5.464 -5.701 1.00 0.00 C ATOM 282 O ASN A 22 -4.508 -4.759 -5.155 1.00 0.00 O ATOM 283 CB ASN A 22 -5.151 -7.142 -6.748 1.00 0.00 C ATOM 284 CG ASN A 22 -4.796 -7.750 -8.106 1.00 0.00 C ATOM 285 OD1 ASN A 22 -3.659 -7.728 -8.548 1.00 0.00 O ATOM 286 ND2 ASN A 22 -5.831 -8.293 -8.742 1.00 0.00 N ATOM 0 H ASN A 22 -5.041 -7.654 -4.266 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.053 -7.440 -6.376 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.865 -7.785 -6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.638 -6.177 -6.893 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.698 -8.725 -9.656 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.757 -8.277 -8.315 1.00 0.00 H new ATOM 293 N TYR A 23 -2.504 -5.021 -6.168 1.00 0.00 N ATOM 294 CA TYR A 23 -2.142 -3.617 -6.062 1.00 0.00 C ATOM 295 C TYR A 23 -1.271 -3.186 -7.244 1.00 0.00 C ATOM 296 O TYR A 23 -0.342 -3.895 -7.627 1.00 0.00 O ATOM 297 CB TYR A 23 -1.332 -3.486 -4.771 1.00 0.00 C ATOM 298 CG TYR A 23 -0.170 -4.476 -4.663 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.012 -4.229 -5.331 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.304 -5.616 -3.896 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.105 -5.161 -5.229 1.00 0.00 C ATOM 302 CE2 TYR A 23 0.789 -6.548 -3.794 1.00 0.00 C ATOM 303 CZ TYR A 23 1.940 -6.274 -4.465 1.00 0.00 C ATOM 304 OH TYR A 23 2.972 -7.154 -4.368 1.00 0.00 O ATOM 0 H TYR A 23 -1.804 -5.609 -6.621 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.033 -2.989 -6.061 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.939 -2.472 -4.702 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.998 -3.629 -3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.117 -3.337 -5.930 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.229 -5.809 -3.372 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.035 -4.980 -5.748 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.697 -7.444 -3.198 1.00 0.00 H new ATOM 0 HH TYR A 23 2.712 -7.901 -3.789 1.00 0.00 H new ATOM 314 N GLY A 24 -1.601 -2.024 -7.788 1.00 0.00 N ATOM 315 CA GLY A 24 -0.860 -1.489 -8.918 1.00 0.00 C ATOM 316 C GLY A 24 0.402 -0.762 -8.451 1.00 0.00 C ATOM 317 O GLY A 24 0.353 0.039 -7.519 1.00 0.00 O ATOM 0 H GLY A 24 -2.372 -1.438 -7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.588 -2.299 -9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.493 -0.802 -9.480 1.00 0.00 H new ATOM 321 N TRP A 25 1.504 -1.067 -9.120 1.00 0.00 N ATOM 322 CA TRP A 25 2.778 -0.453 -8.785 1.00 0.00 C ATOM 323 C TRP A 25 3.459 -0.036 -10.090 1.00 0.00 C ATOM 324 O TRP A 25 3.258 -0.664 -11.128 1.00 0.00 O ATOM 325 CB TRP A 25 3.635 -1.395 -7.938 1.00 0.00 C ATOM 326 CG TRP A 25 4.217 -2.577 -8.716 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.629 -3.748 -8.999 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.532 -2.655 -9.304 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.467 -4.572 -9.723 1.00 0.00 N ATOM 330 CE2 TRP A 25 5.661 -3.886 -9.915 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.579 -1.717 -9.320 1.00 0.00 C ATOM 332 CZ2 TRP A 25 6.821 -4.292 -10.586 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.732 -2.137 -9.994 1.00 0.00 C ATOM 334 CH2 TRP A 25 7.877 -3.373 -10.614 1.00 0.00 C ATOM 0 H TRP A 25 1.541 -1.732 -9.893 1.00 0.00 H new ATOM 0 HA TRP A 25 2.629 0.435 -8.171 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.453 -0.826 -7.496 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.031 -1.777 -7.115 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.626 -4.013 -8.698 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.250 -5.511 -10.056 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.500 -0.748 -8.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.897 -5.261 -11.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.567 -1.453 -10.035 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.800 -3.623 -11.115 1.00 0.00 H new ATOM 345 N ASP A 26 4.251 1.022 -9.995 1.00 0.00 N ATOM 346 CA ASP A 26 4.964 1.530 -11.155 1.00 0.00 C ATOM 347 C ASP A 26 6.290 2.145 -10.704 1.00 0.00 C ATOM 348 O ASP A 26 6.353 2.803 -9.667 1.00 0.00 O ATOM 349 CB ASP A 26 4.155 2.618 -11.864 1.00 0.00 C ATOM 350 CG ASP A 26 2.646 2.372 -11.915 1.00 0.00 C ATOM 351 OD1 ASP A 26 2.089 2.033 -10.849 1.00 0.00 O ATOM 352 OD2 ASP A 26 2.082 2.529 -13.020 1.00 0.00 O ATOM 0 H ASP A 26 4.415 1.541 -9.133 1.00 0.00 H new ATOM 0 HA ASP A 26 5.130 0.699 -11.840 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.336 3.569 -11.363 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.526 2.719 -12.884 1.00 0.00 H new ATOM 357 N GLN A 27 7.318 1.910 -11.507 1.00 0.00 N ATOM 358 CA GLN A 27 8.639 2.432 -11.203 1.00 0.00 C ATOM 359 C GLN A 27 9.145 3.298 -12.359 1.00 0.00 C ATOM 360 O GLN A 27 8.831 3.037 -13.519 1.00 0.00 O ATOM 361 CB GLN A 27 9.620 1.299 -10.897 1.00 0.00 C ATOM 362 CG GLN A 27 9.924 0.482 -12.155 1.00 0.00 C ATOM 363 CD GLN A 27 8.898 -0.637 -12.343 1.00 0.00 C ATOM 364 OE1 GLN A 27 7.742 -0.524 -11.968 1.00 0.00 O ATOM 365 NE2 GLN A 27 9.382 -1.720 -12.944 1.00 0.00 N ATOM 0 H GLN A 27 7.262 1.365 -12.367 1.00 0.00 H new ATOM 0 HA GLN A 27 8.566 3.055 -10.312 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.545 1.713 -10.495 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.202 0.649 -10.129 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.919 1.135 -13.027 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.924 0.055 -12.083 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.360 -1.749 -13.233 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.775 -2.522 -13.116 1.00 0.00 H new ATOM 374 N SER A 28 9.920 4.312 -12.001 1.00 0.00 N ATOM 375 CA SER A 28 10.473 5.218 -12.993 1.00 0.00 C ATOM 376 C SER A 28 11.939 5.515 -12.672 1.00 0.00 C ATOM 377 O SER A 28 12.328 5.548 -11.506 1.00 0.00 O ATOM 378 CB SER A 28 9.670 6.519 -13.059 1.00 0.00 C ATOM 379 OG SER A 28 8.829 6.570 -14.208 1.00 0.00 O ATOM 0 H SER A 28 10.178 4.526 -11.038 1.00 0.00 H new ATOM 0 HA SER A 28 10.412 4.735 -13.968 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.061 6.615 -12.160 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.355 7.367 -13.073 1.00 0.00 H new ATOM 0 HG SER A 28 8.332 7.415 -14.213 1.00 0.00 H new ATOM 385 N ASP A 29 12.712 5.723 -13.728 1.00 0.00 N ATOM 386 CA ASP A 29 14.127 6.016 -13.573 1.00 0.00 C ATOM 387 C ASP A 29 14.290 7.347 -12.836 1.00 0.00 C ATOM 388 O ASP A 29 14.587 8.369 -13.452 1.00 0.00 O ATOM 389 CB ASP A 29 14.816 6.141 -14.933 1.00 0.00 C ATOM 390 CG ASP A 29 14.436 5.065 -15.952 1.00 0.00 C ATOM 391 OD1 ASP A 29 15.065 3.987 -15.900 1.00 0.00 O ATOM 392 OD2 ASP A 29 13.524 5.345 -16.760 1.00 0.00 O ATOM 0 H ASP A 29 12.385 5.694 -14.694 1.00 0.00 H new ATOM 0 HA ASP A 29 14.581 5.199 -13.013 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.580 7.118 -15.354 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.895 6.111 -14.781 1.00 0.00 H new ATOM 397 N LYS A 30 14.089 7.291 -11.527 1.00 0.00 N ATOM 398 CA LYS A 30 14.210 8.479 -10.700 1.00 0.00 C ATOM 399 C LYS A 30 13.569 8.213 -9.336 1.00 0.00 C ATOM 400 O LYS A 30 14.149 8.535 -8.300 1.00 0.00 O ATOM 401 CB LYS A 30 13.633 9.697 -11.424 1.00 0.00 C ATOM 402 CG LYS A 30 14.747 10.562 -12.016 1.00 0.00 C ATOM 403 CD LYS A 30 14.851 11.901 -11.283 1.00 0.00 C ATOM 404 CE LYS A 30 16.267 12.472 -11.382 1.00 0.00 C ATOM 405 NZ LYS A 30 16.407 13.301 -12.600 1.00 0.00 N ATOM 0 H LYS A 30 13.843 6.441 -11.019 1.00 0.00 H new ATOM 0 HA LYS A 30 15.259 8.712 -10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.962 9.368 -12.218 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.038 10.290 -10.729 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.697 10.032 -11.950 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.553 10.737 -13.074 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.139 12.609 -11.708 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.581 11.768 -10.235 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.486 13.072 -10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.993 11.659 -11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.374 13.681 -12.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.218 12.718 -13.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.727 14.087 -12.565 1.00 0.00 H new ATOM 419 N PHE A 31 12.380 7.629 -9.381 1.00 0.00 N ATOM 420 CA PHE A 31 11.654 7.317 -8.161 1.00 0.00 C ATOM 421 C PHE A 31 10.671 6.167 -8.388 1.00 0.00 C ATOM 422 O PHE A 31 10.431 5.766 -9.526 1.00 0.00 O ATOM 423 CB PHE A 31 10.871 8.572 -7.773 1.00 0.00 C ATOM 424 CG PHE A 31 11.737 9.826 -7.629 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.722 9.869 -6.693 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.521 10.898 -8.439 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.525 11.032 -6.560 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.324 12.061 -8.306 1.00 0.00 C ATOM 429 CZ PHE A 31 13.309 12.104 -7.369 1.00 0.00 C ATOM 0 H PHE A 31 11.902 7.364 -10.242 1.00 0.00 H new ATOM 0 HA PHE A 31 12.351 7.015 -7.380 1.00 0.00 H new ATOM 0 HB2 PHE A 31 10.104 8.757 -8.526 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.355 8.389 -6.831 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.894 9.018 -6.050 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.739 10.864 -9.183 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.308 11.066 -5.816 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.153 12.912 -8.949 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.919 12.989 -7.267 1.00 0.00 H new ATOM 439 N VAL A 32 10.129 5.668 -7.287 1.00 0.00 N ATOM 440 CA VAL A 32 9.177 4.572 -7.352 1.00 0.00 C ATOM 441 C VAL A 32 7.889 4.978 -6.632 1.00 0.00 C ATOM 442 O VAL A 32 7.935 5.646 -5.600 1.00 0.00 O ATOM 443 CB VAL A 32 9.805 3.299 -6.781 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.756 2.198 -6.612 1.00 0.00 C ATOM 445 CG2 VAL A 32 10.966 2.821 -7.656 1.00 0.00 C ATOM 0 H VAL A 32 10.331 6.002 -6.345 1.00 0.00 H new ATOM 0 HA VAL A 32 8.916 4.353 -8.387 1.00 0.00 H new ATOM 0 HB VAL A 32 10.204 3.535 -5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.229 1.304 -6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.977 2.539 -5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.314 1.965 -7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.395 1.915 -7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.601 2.610 -8.661 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.730 3.597 -7.703 1.00 0.00 H new ATOM 455 N LYS A 33 6.771 4.556 -7.204 1.00 0.00 N ATOM 456 CA LYS A 33 5.473 4.867 -6.630 1.00 0.00 C ATOM 457 C LYS A 33 4.514 3.703 -6.886 1.00 0.00 C ATOM 458 O LYS A 33 4.641 2.998 -7.887 1.00 0.00 O ATOM 459 CB LYS A 33 4.963 6.211 -7.154 1.00 0.00 C ATOM 460 CG LYS A 33 3.473 6.388 -6.852 1.00 0.00 C ATOM 461 CD LYS A 33 3.083 7.867 -6.867 1.00 0.00 C ATOM 462 CE LYS A 33 3.843 8.624 -7.958 1.00 0.00 C ATOM 463 NZ LYS A 33 3.171 9.907 -8.262 1.00 0.00 N ATOM 0 H LYS A 33 6.737 4.001 -8.059 1.00 0.00 H new ATOM 0 HA LYS A 33 5.553 4.982 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.529 7.022 -6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.130 6.273 -8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.882 5.845 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.242 5.957 -5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.010 7.962 -7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.295 8.313 -5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.867 8.811 -7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.900 8.014 -8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.867 10.583 -8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.426 9.749 -8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.747 10.291 -7.394 1.00 0.00 H new ATOM 477 N ILE A 34 3.577 3.536 -5.965 1.00 0.00 N ATOM 478 CA ILE A 34 2.597 2.469 -6.079 1.00 0.00 C ATOM 479 C ILE A 34 1.190 3.071 -6.075 1.00 0.00 C ATOM 480 O ILE A 34 0.939 4.065 -5.396 1.00 0.00 O ATOM 481 CB ILE A 34 2.819 1.419 -4.989 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.183 0.744 -5.148 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.676 0.403 -4.965 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.168 1.240 -4.088 1.00 0.00 C ATOM 0 H ILE A 34 3.475 4.122 -5.136 1.00 0.00 H new ATOM 0 HA ILE A 34 2.716 1.943 -7.026 1.00 0.00 H new ATOM 0 HB ILE A 34 2.820 1.924 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.069 -0.337 -5.066 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.580 0.948 -6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.859 -0.332 -4.181 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.736 0.918 -4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.618 -0.102 -5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.129 0.744 -4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.298 2.318 -4.188 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.780 1.012 -3.095 1.00 0.00 H new ATOM 496 N TYR A 35 0.311 2.444 -6.843 1.00 0.00 N ATOM 497 CA TYR A 35 -1.064 2.906 -6.936 1.00 0.00 C ATOM 498 C TYR A 35 -2.045 1.760 -6.684 1.00 0.00 C ATOM 499 O TYR A 35 -2.247 0.908 -7.548 1.00 0.00 O ATOM 500 CB TYR A 35 -1.243 3.408 -8.370 1.00 0.00 C ATOM 501 CG TYR A 35 -0.069 4.241 -8.889 1.00 0.00 C ATOM 502 CD1 TYR A 35 1.160 3.647 -9.095 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.239 5.585 -9.151 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.265 4.431 -9.584 1.00 0.00 C ATOM 505 CE2 TYR A 35 0.866 6.368 -9.640 1.00 0.00 C ATOM 506 CZ TYR A 35 2.063 5.753 -9.832 1.00 0.00 C ATOM 507 OH TYR A 35 3.107 6.492 -10.293 1.00 0.00 O ATOM 0 H TYR A 35 0.524 1.621 -7.406 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.260 3.680 -6.194 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.387 2.551 -9.029 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.152 4.007 -8.423 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.293 2.595 -8.890 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.201 6.049 -8.989 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.232 3.979 -9.750 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.746 7.421 -9.850 1.00 0.00 H new ATOM 0 HH TYR A 35 2.774 7.341 -10.651 1.00 0.00 H new ATOM 517 N ILE A 36 -2.630 1.775 -5.494 1.00 0.00 N ATOM 518 CA ILE A 36 -3.585 0.747 -5.117 1.00 0.00 C ATOM 519 C ILE A 36 -5.005 1.301 -5.256 1.00 0.00 C ATOM 520 O ILE A 36 -5.248 2.473 -4.972 1.00 0.00 O ATOM 521 CB ILE A 36 -3.270 0.209 -3.720 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.915 -0.502 -3.700 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.397 -0.692 -3.212 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.917 0.245 -2.813 1.00 0.00 C ATOM 0 H ILE A 36 -2.461 2.483 -4.779 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.508 -0.109 -5.788 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.201 1.055 -3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.040 -1.521 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.523 -0.574 -4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.148 -1.061 -2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.325 -0.123 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.522 -1.536 -3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.038 -0.281 -2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.776 1.256 -3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.301 0.293 -1.794 1.00 0.00 H new ATOM 536 N THR A 37 -5.904 0.433 -5.694 1.00 0.00 N ATOM 537 CA THR A 37 -7.293 0.820 -5.874 1.00 0.00 C ATOM 538 C THR A 37 -8.081 0.600 -4.581 1.00 0.00 C ATOM 539 O THR A 37 -8.403 -0.535 -4.233 1.00 0.00 O ATOM 540 CB THR A 37 -7.851 0.040 -7.066 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.283 0.687 -8.202 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.358 0.236 -7.241 1.00 0.00 C ATOM 0 H THR A 37 -5.698 -0.538 -5.930 1.00 0.00 H new ATOM 0 HA THR A 37 -7.381 1.884 -6.094 1.00 0.00 H new ATOM 0 HB THR A 37 -7.635 -1.021 -6.938 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.591 0.243 -9.019 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.702 -0.339 -8.101 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.876 -0.106 -6.345 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.571 1.293 -7.403 1.00 0.00 H new ATOM 550 N LEU A 38 -8.367 1.702 -3.905 1.00 0.00 N ATOM 551 CA LEU A 38 -9.111 1.644 -2.658 1.00 0.00 C ATOM 552 C LEU A 38 -10.136 2.779 -2.627 1.00 0.00 C ATOM 553 O LEU A 38 -9.785 3.931 -2.377 1.00 0.00 O ATOM 554 CB LEU A 38 -8.155 1.646 -1.464 1.00 0.00 C ATOM 555 CG LEU A 38 -8.453 0.624 -0.364 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.950 0.319 -0.291 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.618 -0.644 -0.553 1.00 0.00 C ATOM 0 H LEU A 38 -8.097 2.641 -4.197 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.668 0.710 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.145 1.469 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.163 2.641 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.166 1.059 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.135 -0.410 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.498 1.236 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.286 -0.087 -1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.849 -1.353 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.851 -1.092 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.558 -0.391 -0.517 1.00 0.00 H new ATOM 569 N THR A 39 -11.384 2.414 -2.885 1.00 0.00 N ATOM 570 CA THR A 39 -12.462 3.387 -2.889 1.00 0.00 C ATOM 571 C THR A 39 -12.882 3.726 -1.457 1.00 0.00 C ATOM 572 O THR A 39 -13.320 2.851 -0.712 1.00 0.00 O ATOM 573 CB THR A 39 -13.603 2.825 -3.739 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.295 3.256 -5.062 1.00 0.00 O ATOM 575 CG2 THR A 39 -14.946 3.492 -3.433 1.00 0.00 C ATOM 0 H THR A 39 -11.672 1.458 -3.093 1.00 0.00 H new ATOM 0 HA THR A 39 -12.141 4.330 -3.331 1.00 0.00 H new ATOM 0 HB THR A 39 -13.685 1.751 -3.571 1.00 0.00 H new ATOM 0 HG1 THR A 39 -13.946 3.931 -5.346 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.721 3.056 -4.064 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.200 3.334 -2.385 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.875 4.561 -3.632 1.00 0.00 H new ATOM 583 N GLY A 40 -12.732 4.997 -1.115 1.00 0.00 N ATOM 584 CA GLY A 40 -13.090 5.462 0.214 1.00 0.00 C ATOM 585 C GLY A 40 -11.845 5.864 1.007 1.00 0.00 C ATOM 586 O GLY A 40 -11.934 6.638 1.959 1.00 0.00 O ATOM 0 H GLY A 40 -12.367 5.720 -1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.766 6.313 0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.627 4.676 0.746 1.00 0.00 H new ATOM 590 N VAL A 41 -10.712 5.321 0.586 1.00 0.00 N ATOM 591 CA VAL A 41 -9.451 5.613 1.246 1.00 0.00 C ATOM 592 C VAL A 41 -9.220 7.126 1.246 1.00 0.00 C ATOM 593 O VAL A 41 -8.436 7.637 2.044 1.00 0.00 O ATOM 594 CB VAL A 41 -8.317 4.836 0.575 1.00 0.00 C ATOM 595 CG1 VAL A 41 -8.081 5.333 -0.853 1.00 0.00 C ATOM 596 CG2 VAL A 41 -7.033 4.915 1.403 1.00 0.00 C ATOM 0 H VAL A 41 -10.641 4.680 -0.204 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.479 5.287 2.286 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.616 3.789 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.270 4.764 -1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.990 5.200 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.815 6.390 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.243 4.354 0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.730 5.957 1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.210 4.490 2.391 1.00 0.00 H new ATOM 606 N HIS A 42 -9.917 7.799 0.342 1.00 0.00 N ATOM 607 CA HIS A 42 -9.797 9.243 0.229 1.00 0.00 C ATOM 608 C HIS A 42 -10.827 9.916 1.139 1.00 0.00 C ATOM 609 O HIS A 42 -10.958 11.139 1.135 1.00 0.00 O ATOM 610 CB HIS A 42 -9.918 9.685 -1.231 1.00 0.00 C ATOM 611 CG HIS A 42 -11.339 9.753 -1.737 1.00 0.00 C ATOM 612 ND1 HIS A 42 -12.020 8.645 -2.209 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.199 10.806 -1.839 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.235 9.026 -2.577 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.344 10.366 -2.347 1.00 0.00 N ATOM 0 H HIS A 42 -10.566 7.372 -0.318 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.808 9.557 0.563 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.456 10.666 -1.342 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.353 8.994 -1.857 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.985 11.826 -1.555 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -14.004 8.388 -2.987 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.169 10.936 -2.534 1.00 0.00 H new ATOM 623 N GLN A 43 -11.531 9.088 1.897 1.00 0.00 N ATOM 624 CA GLN A 43 -12.544 9.588 2.810 1.00 0.00 C ATOM 625 C GLN A 43 -12.124 9.334 4.259 1.00 0.00 C ATOM 626 O GLN A 43 -12.685 9.921 5.183 1.00 0.00 O ATOM 627 CB GLN A 43 -13.907 8.957 2.515 1.00 0.00 C ATOM 628 CG GLN A 43 -14.368 9.288 1.095 1.00 0.00 C ATOM 629 CD GLN A 43 -15.892 9.212 0.982 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.620 9.347 1.952 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.333 8.990 -0.253 1.00 0.00 N ATOM 0 H GLN A 43 -11.420 8.074 1.897 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.639 10.664 2.663 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.846 7.876 2.639 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.642 9.319 3.234 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.029 10.287 0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.912 8.593 0.390 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.669 8.886 -1.021 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.335 8.923 -0.433 1.00 0.00 H new ATOM 640 N VAL A 44 -11.142 8.459 4.412 1.00 0.00 N ATOM 641 CA VAL A 44 -10.640 8.121 5.734 1.00 0.00 C ATOM 642 C VAL A 44 -9.663 9.203 6.196 1.00 0.00 C ATOM 643 O VAL A 44 -9.071 9.902 5.375 1.00 0.00 O ATOM 644 CB VAL A 44 -10.019 6.723 5.715 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.051 5.669 5.308 1.00 0.00 C ATOM 646 CG2 VAL A 44 -8.797 6.678 4.796 1.00 0.00 C ATOM 0 H VAL A 44 -10.680 7.973 3.643 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.456 8.090 6.456 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.686 6.491 6.727 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.583 4.685 5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.877 5.674 6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.429 5.896 4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.375 5.673 4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.095 6.941 3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.049 7.387 5.150 1.00 0.00 H new ATOM 656 N PRO A 45 -9.521 9.311 7.544 1.00 0.00 N ATOM 657 CA PRO A 45 -8.625 10.296 8.126 1.00 0.00 C ATOM 658 C PRO A 45 -7.164 9.869 7.971 1.00 0.00 C ATOM 659 O PRO A 45 -6.883 8.735 7.586 1.00 0.00 O ATOM 660 CB PRO A 45 -9.059 10.414 9.578 1.00 0.00 C ATOM 661 CG PRO A 45 -9.869 9.161 9.874 1.00 0.00 C ATOM 662 CD PRO A 45 -10.206 8.500 8.547 1.00 0.00 C ATOM 0 HA PRO A 45 -8.683 11.263 7.627 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.195 10.486 10.239 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.657 11.312 9.735 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.300 8.479 10.507 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.780 9.414 10.417 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.863 7.466 8.521 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.282 8.483 8.375 1.00 0.00 H new ATOM 670 N THR A 46 -6.273 10.800 8.280 1.00 0.00 N ATOM 671 CA THR A 46 -4.848 10.534 8.180 1.00 0.00 C ATOM 672 C THR A 46 -4.380 9.685 9.363 1.00 0.00 C ATOM 673 O THR A 46 -3.216 9.293 9.428 1.00 0.00 O ATOM 674 CB THR A 46 -4.123 11.876 8.070 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.759 11.519 7.865 1.00 0.00 O ATOM 676 CG2 THR A 46 -4.112 12.646 9.392 1.00 0.00 C ATOM 0 H THR A 46 -6.510 11.739 8.600 1.00 0.00 H new ATOM 0 HA THR A 46 -4.616 9.950 7.290 1.00 0.00 H new ATOM 0 HB THR A 46 -4.600 12.483 7.300 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.569 10.675 8.325 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.585 13.591 9.258 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.137 12.843 9.707 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.606 12.053 10.154 1.00 0.00 H new ATOM 684 N GLU A 47 -5.311 9.427 10.270 1.00 0.00 N ATOM 685 CA GLU A 47 -5.008 8.631 11.448 1.00 0.00 C ATOM 686 C GLU A 47 -5.223 7.145 11.155 1.00 0.00 C ATOM 687 O GLU A 47 -4.693 6.287 11.859 1.00 0.00 O ATOM 688 CB GLU A 47 -5.848 9.082 12.644 1.00 0.00 C ATOM 689 CG GLU A 47 -7.266 8.513 12.563 1.00 0.00 C ATOM 690 CD GLU A 47 -8.055 8.825 13.836 1.00 0.00 C ATOM 691 OE1 GLU A 47 -8.543 9.972 13.936 1.00 0.00 O ATOM 692 OE2 GLU A 47 -8.154 7.909 14.681 1.00 0.00 O ATOM 0 H GLU A 47 -6.275 9.755 10.213 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.959 8.782 11.705 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.374 8.756 13.570 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.890 10.171 12.674 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.781 8.933 11.699 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.221 7.434 12.414 1.00 0.00 H new ATOM 699 N ASN A 48 -6.001 6.887 10.114 1.00 0.00 N ATOM 700 CA ASN A 48 -6.292 5.519 9.719 1.00 0.00 C ATOM 701 C ASN A 48 -5.280 5.070 8.664 1.00 0.00 C ATOM 702 O ASN A 48 -5.059 3.875 8.479 1.00 0.00 O ATOM 703 CB ASN A 48 -7.691 5.408 9.109 1.00 0.00 C ATOM 704 CG ASN A 48 -8.770 5.498 10.191 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.492 5.547 11.378 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.012 5.517 9.716 1.00 0.00 N ATOM 0 H ASN A 48 -6.439 7.602 9.532 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.235 4.892 10.609 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.837 6.203 8.378 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.785 4.463 8.575 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.803 5.576 10.358 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.174 5.473 8.710 1.00 0.00 H new ATOM 713 N VAL A 49 -4.691 6.054 7.999 1.00 0.00 N ATOM 714 CA VAL A 49 -3.706 5.775 6.967 1.00 0.00 C ATOM 715 C VAL A 49 -2.302 5.926 7.554 1.00 0.00 C ATOM 716 O VAL A 49 -1.736 7.018 7.547 1.00 0.00 O ATOM 717 CB VAL A 49 -3.948 6.679 5.756 1.00 0.00 C ATOM 718 CG1 VAL A 49 -3.106 6.229 4.560 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.434 6.725 5.394 1.00 0.00 C ATOM 0 H VAL A 49 -4.877 7.045 8.155 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.802 4.748 6.614 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.637 7.689 6.024 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.296 6.888 3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.049 6.272 4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.372 5.207 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.578 7.374 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.781 5.720 5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.002 7.114 6.239 1.00 0.00 H new ATOM 729 N GLN A 50 -1.779 4.813 8.048 1.00 0.00 N ATOM 730 CA GLN A 50 -0.451 4.807 8.638 1.00 0.00 C ATOM 731 C GLN A 50 0.520 4.025 7.752 1.00 0.00 C ATOM 732 O GLN A 50 0.397 2.809 7.613 1.00 0.00 O ATOM 733 CB GLN A 50 -0.484 4.233 10.056 1.00 0.00 C ATOM 734 CG GLN A 50 -0.692 5.340 11.091 1.00 0.00 C ATOM 735 CD GLN A 50 -0.620 4.782 12.514 1.00 0.00 C ATOM 736 OE1 GLN A 50 -1.250 3.794 12.853 1.00 0.00 O ATOM 737 NE2 GLN A 50 0.182 5.467 13.324 1.00 0.00 N ATOM 0 H GLN A 50 -2.251 3.909 8.052 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.100 5.837 8.706 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.286 3.500 10.137 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.449 3.709 10.262 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.067 6.112 10.961 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.660 5.815 10.931 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.680 6.286 12.975 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.299 5.174 14.294 1.00 0.00 H new ATOM 746 N VAL A 51 1.464 4.754 7.176 1.00 0.00 N ATOM 747 CA VAL A 51 2.455 4.143 6.307 1.00 0.00 C ATOM 748 C VAL A 51 3.851 4.609 6.727 1.00 0.00 C ATOM 749 O VAL A 51 4.068 5.796 6.965 1.00 0.00 O ATOM 750 CB VAL A 51 2.135 4.459 4.844 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.477 5.834 4.711 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.390 4.365 3.975 1.00 0.00 C ATOM 0 H VAL A 51 1.564 5.762 7.294 1.00 0.00 H new ATOM 0 HA VAL A 51 2.431 3.058 6.404 1.00 0.00 H new ATOM 0 HB VAL A 51 1.425 3.712 4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.260 6.034 3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.549 5.850 5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.152 6.599 5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.134 4.594 2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.134 5.078 4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.798 3.356 4.033 1.00 0.00 H new ATOM 762 N HIS A 52 4.762 3.650 6.804 1.00 0.00 N ATOM 763 CA HIS A 52 6.130 3.947 7.191 1.00 0.00 C ATOM 764 C HIS A 52 7.086 3.495 6.085 1.00 0.00 C ATOM 765 O HIS A 52 6.939 2.401 5.542 1.00 0.00 O ATOM 766 CB HIS A 52 6.458 3.323 8.549 1.00 0.00 C ATOM 767 CG HIS A 52 7.760 3.802 9.147 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.608 2.973 9.859 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.349 5.032 9.129 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.657 3.682 10.249 1.00 0.00 C ATOM 771 NE2 HIS A 52 9.494 4.958 9.796 1.00 0.00 N ATOM 0 H HIS A 52 4.579 2.667 6.605 1.00 0.00 H new ATOM 0 HA HIS A 52 6.252 5.023 7.312 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.648 3.544 9.244 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.497 2.239 8.439 1.00 0.00 H new ATOM 0 HD2 HIS A 52 7.951 5.916 8.653 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.494 3.314 10.824 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.145 5.729 9.945 1.00 0.00 H new ATOM 779 N PHE A 53 8.043 4.360 5.784 1.00 0.00 N ATOM 780 CA PHE A 53 9.023 4.064 4.753 1.00 0.00 C ATOM 781 C PHE A 53 10.372 3.687 5.369 1.00 0.00 C ATOM 782 O PHE A 53 10.759 4.231 6.402 1.00 0.00 O ATOM 783 CB PHE A 53 9.193 5.335 3.919 1.00 0.00 C ATOM 784 CG PHE A 53 7.903 5.822 3.256 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.182 4.977 2.471 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.478 7.099 3.451 1.00 0.00 C ATOM 787 CE1 PHE A 53 5.984 5.429 1.856 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.281 7.551 2.835 1.00 0.00 C ATOM 789 CZ PHE A 53 5.560 6.706 2.050 1.00 0.00 C ATOM 0 H PHE A 53 8.161 5.267 6.236 1.00 0.00 H new ATOM 0 HA PHE A 53 8.684 3.223 4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.582 6.127 4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.940 5.153 3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.520 3.963 2.315 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.051 7.769 4.074 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.410 4.758 1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.943 8.565 2.990 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.650 7.050 1.581 1.00 0.00 H new ATOM 799 N THR A 54 11.050 2.760 4.709 1.00 0.00 N ATOM 800 CA THR A 54 12.347 2.305 5.180 1.00 0.00 C ATOM 801 C THR A 54 13.376 2.366 4.049 1.00 0.00 C ATOM 802 O THR A 54 13.149 3.023 3.034 1.00 0.00 O ATOM 803 CB THR A 54 12.172 0.902 5.766 1.00 0.00 C ATOM 804 OG1 THR A 54 11.558 0.161 4.715 1.00 0.00 O ATOM 805 CG2 THR A 54 11.143 0.865 6.898 1.00 0.00 C ATOM 0 H THR A 54 10.726 2.312 3.852 1.00 0.00 H new ATOM 0 HA THR A 54 12.733 2.955 5.965 1.00 0.00 H new ATOM 0 HB THR A 54 13.132 0.541 6.135 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.505 0.717 3.910 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.057 -0.153 7.278 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.463 1.527 7.702 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.175 1.194 6.521 1.00 0.00 H new ATOM 813 N GLU A 55 14.485 1.674 4.263 1.00 0.00 N ATOM 814 CA GLU A 55 15.549 1.642 3.274 1.00 0.00 C ATOM 815 C GLU A 55 15.214 0.641 2.166 1.00 0.00 C ATOM 816 O GLU A 55 15.485 0.895 0.993 1.00 0.00 O ATOM 817 CB GLU A 55 16.893 1.308 3.926 1.00 0.00 C ATOM 818 CG GLU A 55 17.197 -0.187 3.821 1.00 0.00 C ATOM 819 CD GLU A 55 18.354 -0.578 4.744 1.00 0.00 C ATOM 820 OE1 GLU A 55 18.072 -0.815 5.938 1.00 0.00 O ATOM 821 OE2 GLU A 55 19.494 -0.629 4.234 1.00 0.00 O ATOM 0 H GLU A 55 14.670 1.131 5.107 1.00 0.00 H new ATOM 0 HA GLU A 55 15.634 2.633 2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.687 1.879 3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.877 1.607 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.308 -0.762 4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.448 -0.439 2.791 1.00 0.00 H new ATOM 828 N ARG A 56 14.630 -0.475 2.577 1.00 0.00 N ATOM 829 CA ARG A 56 14.255 -1.514 1.633 1.00 0.00 C ATOM 830 C ARG A 56 12.923 -2.147 2.042 1.00 0.00 C ATOM 831 O ARG A 56 12.858 -3.344 2.315 1.00 0.00 O ATOM 832 CB ARG A 56 15.327 -2.603 1.559 1.00 0.00 C ATOM 833 CG ARG A 56 16.643 -2.040 1.018 1.00 0.00 C ATOM 834 CD ARG A 56 16.868 -2.470 -0.433 1.00 0.00 C ATOM 835 NE ARG A 56 17.593 -3.760 -0.473 1.00 0.00 N ATOM 836 CZ ARG A 56 17.783 -4.481 -1.586 1.00 0.00 C ATOM 837 NH1 ARG A 56 17.302 -4.043 -2.758 1.00 0.00 N ATOM 838 NH2 ARG A 56 18.453 -5.640 -1.528 1.00 0.00 N ATOM 0 H ARG A 56 14.407 -0.682 3.551 1.00 0.00 H new ATOM 0 HA ARG A 56 14.155 -1.050 0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.489 -3.027 2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.983 -3.414 0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.630 -0.952 1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.472 -2.385 1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.911 -2.566 -0.945 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.438 -1.707 -0.963 1.00 0.00 H new ATOM 0 HE ARG A 56 17.972 -4.123 0.402 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.792 -3.161 -2.802 1.00 0.00 H new ATOM 0 HH12 ARG A 56 17.446 -4.592 -3.606 1.00 0.00 H new ATOM 0 HH21 ARG A 56 18.819 -5.974 -0.636 1.00 0.00 H new ATOM 0 HH22 ARG A 56 18.597 -6.189 -2.376 1.00 0.00 H new ATOM 852 N SER A 57 11.893 -1.314 2.071 1.00 0.00 N ATOM 853 CA SER A 57 10.566 -1.776 2.441 1.00 0.00 C ATOM 854 C SER A 57 9.665 -0.582 2.759 1.00 0.00 C ATOM 855 O SER A 57 10.142 0.546 2.877 1.00 0.00 O ATOM 856 CB SER A 57 10.629 -2.727 3.638 1.00 0.00 C ATOM 857 OG SER A 57 11.531 -2.266 4.640 1.00 0.00 O ATOM 0 H SER A 57 11.951 -0.321 1.844 1.00 0.00 H new ATOM 0 HA SER A 57 10.147 -2.324 1.597 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.633 -2.834 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.938 -3.716 3.299 1.00 0.00 H new ATOM 0 HG SER A 57 11.554 -1.286 4.634 1.00 0.00 H new ATOM 863 N PHE A 58 8.378 -0.869 2.889 1.00 0.00 N ATOM 864 CA PHE A 58 7.406 0.167 3.191 1.00 0.00 C ATOM 865 C PHE A 58 6.078 -0.442 3.645 1.00 0.00 C ATOM 866 O PHE A 58 5.521 -1.301 2.965 1.00 0.00 O ATOM 867 CB PHE A 58 7.177 0.955 1.899 1.00 0.00 C ATOM 868 CG PHE A 58 5.933 0.524 1.120 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.696 0.721 1.649 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.065 -0.057 -0.103 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.542 0.321 0.926 1.00 0.00 C ATOM 872 CE2 PHE A 58 4.911 -0.458 -0.826 1.00 0.00 C ATOM 873 CZ PHE A 58 3.674 -0.260 -0.297 1.00 0.00 C ATOM 0 H PHE A 58 7.986 -1.805 2.790 1.00 0.00 H new ATOM 0 HA PHE A 58 7.777 0.802 3.995 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.092 2.014 2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.051 0.844 1.258 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.592 1.182 2.620 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.047 -0.213 -0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.560 0.478 1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.016 -0.920 -1.796 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.796 -0.564 -0.848 1.00 0.00 H new ATOM 883 N ASP A 59 5.611 0.028 4.793 1.00 0.00 N ATOM 884 CA ASP A 59 4.359 -0.460 5.346 1.00 0.00 C ATOM 885 C ASP A 59 3.264 0.585 5.118 1.00 0.00 C ATOM 886 O ASP A 59 3.538 1.784 5.110 1.00 0.00 O ATOM 887 CB ASP A 59 4.478 -0.699 6.852 1.00 0.00 C ATOM 888 CG ASP A 59 5.304 0.344 7.609 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.534 0.364 7.387 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.686 1.098 8.391 1.00 0.00 O ATOM 0 H ASP A 59 6.077 0.741 5.355 1.00 0.00 H new ATOM 0 HA ASP A 59 4.115 -1.399 4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.476 -0.728 7.280 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.923 -1.681 7.015 1.00 0.00 H new ATOM 895 N LEU A 60 2.048 0.091 4.939 1.00 0.00 N ATOM 896 CA LEU A 60 0.911 0.967 4.712 1.00 0.00 C ATOM 897 C LEU A 60 -0.338 0.348 5.343 1.00 0.00 C ATOM 898 O LEU A 60 -0.787 -0.717 4.923 1.00 0.00 O ATOM 899 CB LEU A 60 0.760 1.273 3.220 1.00 0.00 C ATOM 900 CG LEU A 60 -0.230 2.383 2.860 1.00 0.00 C ATOM 901 CD1 LEU A 60 -0.981 2.050 1.569 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.184 2.665 4.022 1.00 0.00 C ATOM 0 H LEU A 60 1.825 -0.904 4.947 1.00 0.00 H new ATOM 0 HA LEU A 60 1.069 1.930 5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.739 1.544 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.452 0.360 2.711 1.00 0.00 H new ATOM 0 HG LEU A 60 0.334 3.298 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.678 2.855 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.268 1.939 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.532 1.119 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.877 3.458 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.744 1.761 4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.611 2.978 4.895 1.00 0.00 H new ATOM 914 N LEU A 61 -0.864 1.043 6.341 1.00 0.00 N ATOM 915 CA LEU A 61 -2.052 0.575 7.034 1.00 0.00 C ATOM 916 C LEU A 61 -3.237 1.470 6.666 1.00 0.00 C ATOM 917 O LEU A 61 -3.064 2.660 6.408 1.00 0.00 O ATOM 918 CB LEU A 61 -1.794 0.485 8.539 1.00 0.00 C ATOM 919 CG LEU A 61 -3.036 0.411 9.430 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.834 1.714 9.367 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.894 -0.805 9.073 1.00 0.00 C ATOM 0 H LEU A 61 -0.489 1.927 6.686 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.305 -0.437 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.181 -0.396 8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.207 1.353 8.839 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.710 0.283 10.462 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.711 1.635 10.009 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.209 2.540 9.707 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.151 1.897 8.340 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.770 -0.835 9.721 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.213 -0.732 8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.310 -1.715 9.211 1.00 0.00 H new ATOM 933 N VAL A 62 -4.415 0.863 6.654 1.00 0.00 N ATOM 934 CA VAL A 62 -5.628 1.590 6.322 1.00 0.00 C ATOM 935 C VAL A 62 -6.799 1.009 7.117 1.00 0.00 C ATOM 936 O VAL A 62 -7.333 -0.042 6.765 1.00 0.00 O ATOM 937 CB VAL A 62 -5.859 1.560 4.809 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.211 2.179 4.449 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.720 2.261 4.067 1.00 0.00 C ATOM 0 H VAL A 62 -4.555 -0.124 6.869 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.533 2.639 6.602 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.873 0.517 4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.350 2.145 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.009 1.618 4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.238 3.215 4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.909 2.226 2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.660 3.300 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.778 1.758 4.287 1.00 0.00 H new ATOM 949 N LYS A 63 -7.165 1.719 8.174 1.00 0.00 N ATOM 950 CA LYS A 63 -8.263 1.287 9.022 1.00 0.00 C ATOM 951 C LYS A 63 -9.517 2.091 8.674 1.00 0.00 C ATOM 952 O LYS A 63 -9.432 3.127 8.016 1.00 0.00 O ATOM 953 CB LYS A 63 -7.866 1.374 10.498 1.00 0.00 C ATOM 954 CG LYS A 63 -7.855 -0.013 11.145 1.00 0.00 C ATOM 955 CD LYS A 63 -6.435 -0.421 11.543 1.00 0.00 C ATOM 956 CE LYS A 63 -5.762 0.675 12.371 1.00 0.00 C ATOM 957 NZ LYS A 63 -5.395 0.162 13.710 1.00 0.00 N ATOM 0 H LYS A 63 -6.721 2.591 8.463 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.496 0.238 8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.879 1.829 10.587 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.564 2.021 11.029 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.497 -0.013 12.026 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.267 -0.745 10.451 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.466 -1.348 12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.845 -0.620 10.648 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.871 1.033 11.855 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.435 1.527 12.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.939 0.919 14.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.251 -0.158 14.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.736 -0.636 13.607 1.00 0.00 H new ATOM 971 N ASN A 64 -10.652 1.584 9.133 1.00 0.00 N ATOM 972 CA ASN A 64 -11.922 2.242 8.878 1.00 0.00 C ATOM 973 C ASN A 64 -11.936 2.778 7.445 1.00 0.00 C ATOM 974 O ASN A 64 -11.526 3.911 7.198 1.00 0.00 O ATOM 975 CB ASN A 64 -12.130 3.425 9.826 1.00 0.00 C ATOM 976 CG ASN A 64 -13.554 3.437 10.384 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.482 3.946 9.778 1.00 0.00 O ATOM 978 ND2 ASN A 64 -13.675 2.849 11.571 1.00 0.00 N ATOM 0 H ASN A 64 -10.718 0.725 9.680 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.716 1.512 9.032 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.415 3.368 10.646 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.935 4.358 9.297 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.586 2.805 12.028 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.857 2.442 12.024 1.00 0.00 H new ATOM 985 N LEU A 65 -12.412 1.938 6.538 1.00 0.00 N ATOM 986 CA LEU A 65 -12.484 2.313 5.136 1.00 0.00 C ATOM 987 C LEU A 65 -13.934 2.207 4.658 1.00 0.00 C ATOM 988 O LEU A 65 -14.799 2.949 5.121 1.00 0.00 O ATOM 989 CB LEU A 65 -11.502 1.482 4.307 1.00 0.00 C ATOM 990 CG LEU A 65 -11.372 1.871 2.833 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.904 3.284 2.590 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.929 1.710 2.350 1.00 0.00 C ATOM 0 H LEU A 65 -12.752 0.999 6.746 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.178 3.351 5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.517 1.552 4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.806 0.437 4.361 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.987 1.191 2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.800 3.536 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.956 3.330 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.336 3.995 3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.863 1.993 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.274 2.351 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.620 0.671 2.466 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.155 1.279 3.739 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.485 1.066 3.193 1.00 0.00 C ATOM 1006 C ASN A 66 -16.164 -0.077 3.949 1.00 0.00 C ATOM 1007 O ASN A 66 -16.220 -1.204 3.459 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.419 0.682 1.714 1.00 0.00 C ATOM 1009 CG ASN A 66 -14.322 -0.356 1.466 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -14.248 -1.386 2.115 1.00 0.00 O ATOM 1011 ND2 ASN A 66 -13.477 -0.028 0.492 1.00 0.00 N ATOM 0 H ASN A 66 -13.435 0.665 3.358 1.00 0.00 H new ATOM 0 HA ASN A 66 -16.046 1.995 3.299 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -16.382 0.282 1.395 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.227 1.570 1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.710 -0.655 0.249 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -13.596 0.851 -0.012 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.664 0.252 5.131 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.338 -0.733 5.960 1.00 0.00 C ATOM 1020 C GLY A 67 -16.369 -1.831 6.404 1.00 0.00 C ATOM 1021 O GLY A 67 -16.794 -2.895 6.853 1.00 0.00 O ATOM 0 H GLY A 67 -16.616 1.188 5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.766 -0.245 6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.165 -1.176 5.405 1.00 0.00 H new ATOM 1025 N LYS A 68 -15.085 -1.535 6.262 1.00 0.00 N ATOM 1026 CA LYS A 68 -14.052 -2.484 6.643 1.00 0.00 C ATOM 1027 C LYS A 68 -12.704 -1.764 6.710 1.00 0.00 C ATOM 1028 O LYS A 68 -12.648 -0.537 6.648 1.00 0.00 O ATOM 1029 CB LYS A 68 -14.059 -3.690 5.702 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.537 -3.292 4.304 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.737 -4.021 3.222 1.00 0.00 C ATOM 1032 CE LYS A 68 -13.789 -5.536 3.430 1.00 0.00 C ATOM 1033 NZ LYS A 68 -14.815 -6.144 2.554 1.00 0.00 N ATOM 0 H LYS A 68 -14.737 -0.652 5.889 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.250 -2.884 7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.057 -4.114 5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.709 -4.467 6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.596 -3.526 4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.434 -2.215 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.136 -3.771 2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.701 -3.683 3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.814 -5.972 3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.015 -5.758 4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.837 -7.172 2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.747 -5.740 2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.583 -5.947 1.559 1.00 0.00 H new ATOM 1047 N SER A 69 -11.651 -2.558 6.837 1.00 0.00 N ATOM 1048 CA SER A 69 -10.307 -2.011 6.913 1.00 0.00 C ATOM 1049 C SER A 69 -9.383 -2.758 5.950 1.00 0.00 C ATOM 1050 O SER A 69 -9.617 -3.925 5.639 1.00 0.00 O ATOM 1051 CB SER A 69 -9.761 -2.090 8.340 1.00 0.00 C ATOM 1052 OG SER A 69 -10.579 -1.378 9.265 1.00 0.00 O ATOM 0 H SER A 69 -11.701 -3.575 6.889 1.00 0.00 H new ATOM 0 HA SER A 69 -10.348 -0.960 6.626 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.693 -3.134 8.645 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.749 -1.685 8.364 1.00 0.00 H new ATOM 0 HG SER A 69 -10.293 -1.583 10.180 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.352 -2.055 5.504 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.392 -2.637 4.581 1.00 0.00 C ATOM 1060 C TYR A 70 -5.959 -2.410 5.067 1.00 0.00 C ATOM 1061 O TYR A 70 -5.652 -1.367 5.642 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.589 -1.906 3.252 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.965 -2.124 2.620 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -10.091 -1.601 3.221 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -9.080 -2.844 1.448 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.386 -1.806 2.627 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.375 -3.049 0.853 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.465 -2.520 1.472 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.688 -2.713 0.910 1.00 0.00 O ATOM 0 H TYR A 70 -8.160 -1.088 5.765 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.546 -3.712 4.493 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.438 -0.838 3.411 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.822 -2.235 2.551 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -10.001 -1.037 4.138 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.199 -3.254 0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.275 -1.402 3.088 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.479 -3.610 -0.064 1.00 0.00 H new ATOM 0 HH TYR A 70 -13.382 -2.366 1.509 1.00 0.00 H new ATOM 1079 N SER A 71 -5.119 -3.405 4.818 1.00 0.00 N ATOM 1080 CA SER A 71 -3.726 -3.327 5.223 1.00 0.00 C ATOM 1081 C SER A 71 -2.821 -3.755 4.066 1.00 0.00 C ATOM 1082 O SER A 71 -3.157 -4.671 3.317 1.00 0.00 O ATOM 1083 CB SER A 71 -3.461 -4.195 6.454 1.00 0.00 C ATOM 1084 OG SER A 71 -3.776 -5.565 6.219 1.00 0.00 O ATOM 0 H SER A 71 -5.377 -4.269 4.341 1.00 0.00 H new ATOM 0 HA SER A 71 -3.503 -2.293 5.487 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.413 -4.108 6.740 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.052 -3.826 7.292 1.00 0.00 H new ATOM 0 HG SER A 71 -4.726 -5.648 5.993 1.00 0.00 H new ATOM 1090 N MET A 72 -1.690 -3.073 3.958 1.00 0.00 N ATOM 1091 CA MET A 72 -0.734 -3.372 2.905 1.00 0.00 C ATOM 1092 C MET A 72 0.697 -3.087 3.367 1.00 0.00 C ATOM 1093 O MET A 72 1.024 -1.957 3.726 1.00 0.00 O ATOM 1094 CB MET A 72 -1.051 -2.523 1.672 1.00 0.00 C ATOM 1095 CG MET A 72 0.127 -2.514 0.696 1.00 0.00 C ATOM 1096 SD MET A 72 -0.430 -2.030 -0.929 1.00 0.00 S ATOM 1097 CE MET A 72 0.067 -3.465 -1.867 1.00 0.00 C ATOM 0 H MET A 72 -1.414 -2.315 4.582 1.00 0.00 H new ATOM 0 HA MET A 72 -0.812 -4.431 2.658 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.938 -2.915 1.174 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.282 -1.503 1.978 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.895 -1.824 1.046 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.582 -3.503 0.654 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.450 -3.150 -2.838 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.846 -4.002 -1.326 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.792 -4.121 -2.011 1.00 0.00 H new ATOM 1107 N ILE A 73 1.511 -4.132 3.343 1.00 0.00 N ATOM 1108 CA ILE A 73 2.899 -4.009 3.755 1.00 0.00 C ATOM 1109 C ILE A 73 3.796 -4.693 2.722 1.00 0.00 C ATOM 1110 O ILE A 73 3.416 -5.709 2.141 1.00 0.00 O ATOM 1111 CB ILE A 73 3.085 -4.539 5.179 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.720 -3.472 6.213 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.503 -5.074 5.383 1.00 0.00 C ATOM 1114 CD1 ILE A 73 2.730 -4.054 7.628 1.00 0.00 C ATOM 0 H ILE A 73 1.236 -5.068 3.045 1.00 0.00 H new ATOM 0 HA ILE A 73 3.194 -2.960 3.789 1.00 0.00 H new ATOM 0 HB ILE A 73 2.401 -5.375 5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.426 -2.644 6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.733 -3.066 5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.609 -5.444 6.403 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.690 -5.886 4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.222 -4.273 5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.467 -3.275 8.344 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.005 -4.866 7.693 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.725 -4.437 7.857 1.00 0.00 H new ATOM 1126 N VAL A 74 4.969 -4.111 2.525 1.00 0.00 N ATOM 1127 CA VAL A 74 5.923 -4.652 1.572 1.00 0.00 C ATOM 1128 C VAL A 74 7.296 -4.763 2.239 1.00 0.00 C ATOM 1129 O VAL A 74 7.866 -3.760 2.665 1.00 0.00 O ATOM 1130 CB VAL A 74 5.942 -3.794 0.305 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.610 -3.065 0.118 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.109 -2.806 0.329 1.00 0.00 C ATOM 0 H VAL A 74 5.281 -3.269 3.009 1.00 0.00 H new ATOM 0 HA VAL A 74 5.628 -5.655 1.264 1.00 0.00 H new ATOM 0 HB VAL A 74 6.084 -4.458 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.649 -2.462 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.805 -3.795 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.426 -2.418 0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.099 -2.209 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.012 -2.150 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.049 -3.354 0.393 1.00 0.00 H new ATOM 1142 N ASN A 75 7.787 -5.992 2.308 1.00 0.00 N ATOM 1143 CA ASN A 75 9.082 -6.248 2.915 1.00 0.00 C ATOM 1144 C ASN A 75 10.041 -6.788 1.853 1.00 0.00 C ATOM 1145 O ASN A 75 9.728 -7.759 1.165 1.00 0.00 O ATOM 1146 CB ASN A 75 8.972 -7.292 4.028 1.00 0.00 C ATOM 1147 CG ASN A 75 8.034 -6.813 5.139 1.00 0.00 C ATOM 1148 OD1 ASN A 75 7.062 -7.462 5.488 1.00 0.00 O ATOM 1149 ND2 ASN A 75 8.379 -5.645 5.672 1.00 0.00 N ATOM 0 H ASN A 75 7.311 -6.821 1.953 1.00 0.00 H new ATOM 0 HA ASN A 75 9.449 -5.311 3.334 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.603 -8.231 3.615 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.960 -7.492 4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.817 -5.240 6.421 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.206 -5.154 5.332 1.00 0.00 H new ATOM 1156 N ASN A 76 11.190 -6.136 1.752 1.00 0.00 N ATOM 1157 CA ASN A 76 12.197 -6.539 0.785 1.00 0.00 C ATOM 1158 C ASN A 76 11.857 -5.936 -0.579 1.00 0.00 C ATOM 1159 O ASN A 76 11.059 -6.497 -1.328 1.00 0.00 O ATOM 1160 CB ASN A 76 12.236 -8.061 0.633 1.00 0.00 C ATOM 1161 CG ASN A 76 11.997 -8.753 1.977 1.00 0.00 C ATOM 1162 OD1 ASN A 76 11.080 -9.715 1.934 1.00 0.00 O flip ATOM 1163 ND2 ASN A 76 12.605 -8.435 2.985 1.00 0.00 N flip ATOM 0 H ASN A 76 11.446 -5.331 2.324 1.00 0.00 H new ATOM 0 HA ASN A 76 13.166 -6.187 1.140 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.478 -8.378 -0.083 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.202 -8.365 0.230 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.297 -7.687 2.948 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.422 -8.917 3.865 1.00 0.00 H new ATOM 1170 N LEU A 77 12.481 -4.802 -0.861 1.00 0.00 N ATOM 1171 CA LEU A 77 12.255 -4.116 -2.122 1.00 0.00 C ATOM 1172 C LEU A 77 13.444 -4.365 -3.052 1.00 0.00 C ATOM 1173 O LEU A 77 14.596 -4.255 -2.636 1.00 0.00 O ATOM 1174 CB LEU A 77 11.962 -2.634 -1.881 1.00 0.00 C ATOM 1175 CG LEU A 77 10.665 -2.320 -1.133 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.620 -0.851 -0.706 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.443 -2.711 -1.967 1.00 0.00 C ATOM 0 H LEU A 77 13.143 -4.341 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 77 11.371 -4.514 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.794 -2.206 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.933 -2.128 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 77 10.641 -2.921 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.688 -0.654 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.463 -0.637 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.677 -0.214 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.534 -2.477 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.449 -2.155 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.474 -3.780 -2.179 1.00 0.00 H new ATOM 1189 N LEU A 78 13.123 -4.696 -4.295 1.00 0.00 N ATOM 1190 CA LEU A 78 14.150 -4.961 -5.287 1.00 0.00 C ATOM 1191 C LEU A 78 15.322 -4.002 -5.071 1.00 0.00 C ATOM 1192 O LEU A 78 16.479 -4.419 -5.076 1.00 0.00 O ATOM 1193 CB LEU A 78 13.560 -4.903 -6.698 1.00 0.00 C ATOM 1194 CG LEU A 78 14.199 -5.832 -7.732 1.00 0.00 C ATOM 1195 CD1 LEU A 78 13.750 -7.280 -7.519 1.00 0.00 C ATOM 1196 CD2 LEU A 78 13.915 -5.347 -9.155 1.00 0.00 C ATOM 0 H LEU A 78 12.166 -4.786 -4.637 1.00 0.00 H new ATOM 0 HA LEU A 78 14.540 -5.972 -5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.497 -5.138 -6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.639 -3.878 -7.061 1.00 0.00 H new ATOM 0 HG LEU A 78 15.280 -5.806 -7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.218 -7.920 -8.267 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.045 -7.610 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.666 -7.343 -7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.380 -6.025 -9.870 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.838 -5.325 -9.324 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.324 -4.345 -9.286 1.00 0.00 H new ATOM 1208 N LYS A 79 14.982 -2.735 -4.887 1.00 0.00 N ATOM 1209 CA LYS A 79 15.992 -1.713 -4.669 1.00 0.00 C ATOM 1210 C LYS A 79 15.652 -0.928 -3.401 1.00 0.00 C ATOM 1211 O LYS A 79 14.512 -0.950 -2.940 1.00 0.00 O ATOM 1212 CB LYS A 79 16.143 -0.836 -5.913 1.00 0.00 C ATOM 1213 CG LYS A 79 16.299 -1.692 -7.172 1.00 0.00 C ATOM 1214 CD LYS A 79 17.773 -1.850 -7.549 1.00 0.00 C ATOM 1215 CE LYS A 79 17.976 -3.050 -8.477 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.310 -3.653 -8.259 1.00 0.00 N ATOM 0 H LYS A 79 14.021 -2.393 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 79 16.968 -2.170 -4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.271 -0.189 -6.014 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.011 -0.186 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.855 -2.674 -7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.756 -1.233 -7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.126 -0.943 -8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.371 -1.978 -6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.200 -3.794 -8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.878 -2.735 -9.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.432 -4.466 -8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.047 -2.946 -8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.390 -3.972 -7.272 1.00 0.00 H new ATOM 1230 N PRO A 80 16.689 -0.235 -2.858 1.00 0.00 N ATOM 1231 CA PRO A 80 16.511 0.556 -1.652 1.00 0.00 C ATOM 1232 C PRO A 80 15.756 1.852 -1.953 1.00 0.00 C ATOM 1233 O PRO A 80 15.633 2.249 -3.111 1.00 0.00 O ATOM 1234 CB PRO A 80 17.917 0.795 -1.128 1.00 0.00 C ATOM 1235 CG PRO A 80 18.849 0.531 -2.299 1.00 0.00 C ATOM 1236 CD PRO A 80 18.052 -0.186 -3.377 1.00 0.00 C ATOM 0 HA PRO A 80 15.902 0.050 -0.903 1.00 0.00 H new ATOM 0 HB2 PRO A 80 18.029 1.816 -0.762 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.141 0.131 -0.293 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.254 1.467 -2.683 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.696 -0.077 -1.983 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.096 0.350 -4.325 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.443 -1.187 -3.559 1.00 0.00 H new ATOM 1244 N ILE A 81 15.271 2.477 -0.890 1.00 0.00 N ATOM 1245 CA ILE A 81 14.531 3.721 -1.026 1.00 0.00 C ATOM 1246 C ILE A 81 14.849 4.630 0.162 1.00 0.00 C ATOM 1247 O ILE A 81 14.993 4.158 1.289 1.00 0.00 O ATOM 1248 CB ILE A 81 13.038 3.440 -1.203 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.471 2.701 0.011 1.00 0.00 C ATOM 1250 CG2 ILE A 81 12.773 2.686 -2.508 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.458 3.570 0.758 1.00 0.00 C ATOM 0 H ILE A 81 15.376 2.146 0.069 1.00 0.00 H new ATOM 0 HA ILE A 81 14.840 4.252 -1.926 1.00 0.00 H new ATOM 0 HB ILE A 81 12.517 4.395 -1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.993 1.776 -0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.282 2.423 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.704 2.499 -2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.118 3.285 -3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.308 1.736 -2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.071 3.021 1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.945 4.483 1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.636 3.826 0.090 1.00 0.00 H new ATOM 1263 N SER A 82 14.950 5.919 -0.130 1.00 0.00 N ATOM 1264 CA SER A 82 15.248 6.898 0.901 1.00 0.00 C ATOM 1265 C SER A 82 13.985 7.215 1.703 1.00 0.00 C ATOM 1266 O SER A 82 12.946 7.540 1.129 1.00 0.00 O ATOM 1267 CB SER A 82 15.827 8.178 0.294 1.00 0.00 C ATOM 1268 OG SER A 82 17.195 8.365 0.645 1.00 0.00 O ATOM 0 H SER A 82 14.831 6.307 -1.066 1.00 0.00 H new ATOM 0 HA SER A 82 15.997 6.474 1.569 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.734 8.139 -0.791 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.245 9.035 0.633 1.00 0.00 H new ATOM 0 HG SER A 82 17.527 9.192 0.237 1.00 0.00 H new ATOM 1274 N VAL A 83 14.115 7.111 3.018 1.00 0.00 N ATOM 1275 CA VAL A 83 12.996 7.383 3.904 1.00 0.00 C ATOM 1276 C VAL A 83 12.721 8.887 3.925 1.00 0.00 C ATOM 1277 O VAL A 83 11.692 9.341 3.425 1.00 0.00 O ATOM 1278 CB VAL A 83 13.278 6.807 5.294 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.296 7.364 6.327 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.243 5.278 5.271 1.00 0.00 C ATOM 0 H VAL A 83 14.978 6.842 3.491 1.00 0.00 H new ATOM 0 HA VAL A 83 12.093 6.893 3.540 1.00 0.00 H new ATOM 0 HB VAL A 83 14.282 7.114 5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.518 6.939 7.306 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.392 8.449 6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.278 7.101 6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.446 4.894 6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.258 4.941 4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 83 13.999 4.907 4.579 1.00 0.00 H new ATOM 1290 N GLU A 84 13.658 9.620 4.508 1.00 0.00 N ATOM 1291 CA GLU A 84 13.529 11.065 4.600 1.00 0.00 C ATOM 1292 C GLU A 84 13.069 11.643 3.260 1.00 0.00 C ATOM 1293 O GLU A 84 12.442 12.700 3.219 1.00 0.00 O ATOM 1294 CB GLU A 84 14.843 11.704 5.051 1.00 0.00 C ATOM 1295 CG GLU A 84 15.265 11.180 6.425 1.00 0.00 C ATOM 1296 CD GLU A 84 16.422 12.004 6.995 1.00 0.00 C ATOM 1297 OE1 GLU A 84 17.241 12.475 6.176 1.00 0.00 O ATOM 1298 OE2 GLU A 84 16.460 12.144 8.237 1.00 0.00 O ATOM 0 H GLU A 84 14.510 9.241 4.921 1.00 0.00 H new ATOM 0 HA GLU A 84 12.774 11.296 5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.624 11.491 4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.730 12.787 5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.417 11.217 7.108 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.564 10.135 6.343 1.00 0.00 H new ATOM 1305 N GLY A 85 13.399 10.924 2.197 1.00 0.00 N ATOM 1306 CA GLY A 85 13.027 11.353 0.859 1.00 0.00 C ATOM 1307 C GLY A 85 11.675 10.765 0.451 1.00 0.00 C ATOM 1308 O GLY A 85 10.928 11.384 -0.305 1.00 0.00 O ATOM 0 H GLY A 85 13.920 10.048 2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.980 12.441 0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.792 11.042 0.148 1.00 0.00 H new ATOM 1312 N SER A 86 11.402 9.577 0.969 1.00 0.00 N ATOM 1313 CA SER A 86 10.153 8.898 0.668 1.00 0.00 C ATOM 1314 C SER A 86 8.969 9.762 1.107 1.00 0.00 C ATOM 1315 O SER A 86 9.150 10.767 1.792 1.00 0.00 O ATOM 1316 CB SER A 86 10.092 7.529 1.348 1.00 0.00 C ATOM 1317 OG SER A 86 10.826 6.542 0.628 1.00 0.00 O ATOM 0 H SER A 86 12.024 9.067 1.596 1.00 0.00 H new ATOM 0 HA SER A 86 10.100 8.741 -0.409 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.489 7.609 2.360 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.052 7.214 1.437 1.00 0.00 H new ATOM 0 HG SER A 86 11.783 6.750 0.670 1.00 0.00 H new ATOM 1323 N SER A 87 7.783 9.338 0.694 1.00 0.00 N ATOM 1324 CA SER A 87 6.570 10.061 1.037 1.00 0.00 C ATOM 1325 C SER A 87 5.342 9.216 0.690 1.00 0.00 C ATOM 1326 O SER A 87 5.424 8.305 -0.132 1.00 0.00 O ATOM 1327 CB SER A 87 6.508 11.407 0.313 1.00 0.00 C ATOM 1328 OG SER A 87 7.789 12.027 0.229 1.00 0.00 O ATOM 0 H SER A 87 7.637 8.504 0.126 1.00 0.00 H new ATOM 0 HA SER A 87 6.579 10.255 2.109 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.109 11.261 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.818 12.069 0.837 1.00 0.00 H new ATOM 0 HG SER A 87 8.215 12.018 1.111 1.00 0.00 H new ATOM 1334 N LYS A 88 4.234 9.548 1.335 1.00 0.00 N ATOM 1335 CA LYS A 88 2.991 8.831 1.105 1.00 0.00 C ATOM 1336 C LYS A 88 1.931 9.807 0.591 1.00 0.00 C ATOM 1337 O LYS A 88 1.864 10.950 1.042 1.00 0.00 O ATOM 1338 CB LYS A 88 2.569 8.072 2.365 1.00 0.00 C ATOM 1339 CG LYS A 88 1.590 8.899 3.201 1.00 0.00 C ATOM 1340 CD LYS A 88 0.188 8.872 2.589 1.00 0.00 C ATOM 1341 CE LYS A 88 -0.775 8.063 3.460 1.00 0.00 C ATOM 1342 NZ LYS A 88 -1.791 8.949 4.070 1.00 0.00 N ATOM 0 H LYS A 88 4.171 10.304 2.017 1.00 0.00 H new ATOM 0 HA LYS A 88 3.126 8.072 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.105 7.126 2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.449 7.832 2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.554 8.508 4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.942 9.928 3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.184 9.891 2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.232 8.439 1.590 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.265 7.299 2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.220 7.545 4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.002 8.622 5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.426 9.922 4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.660 8.926 3.499 1.00 0.00 H new ATOM 1356 N LYS A 89 1.129 9.322 -0.345 1.00 0.00 N ATOM 1357 CA LYS A 89 0.076 10.137 -0.925 1.00 0.00 C ATOM 1358 C LYS A 89 -1.176 9.281 -1.123 1.00 0.00 C ATOM 1359 O LYS A 89 -1.094 8.054 -1.156 1.00 0.00 O ATOM 1360 CB LYS A 89 0.567 10.814 -2.206 1.00 0.00 C ATOM 1361 CG LYS A 89 1.192 12.177 -1.902 1.00 0.00 C ATOM 1362 CD LYS A 89 0.679 13.244 -2.871 1.00 0.00 C ATOM 1363 CE LYS A 89 1.100 12.928 -4.307 1.00 0.00 C ATOM 1364 NZ LYS A 89 0.213 13.617 -5.271 1.00 0.00 N ATOM 0 H LYS A 89 1.187 8.374 -0.716 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.195 10.947 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.300 10.176 -2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.266 10.938 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.958 12.468 -0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.277 12.107 -1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.408 13.302 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.067 14.220 -2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.132 13.240 -4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.063 11.852 -4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.513 13.392 -6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.767 13.300 -5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.269 14.645 -5.121 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.306 9.961 -1.248 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.574 9.278 -1.442 1.00 0.00 C ATOM 1380 C VAL A 90 -4.359 9.975 -2.554 1.00 0.00 C ATOM 1381 O VAL A 90 -4.482 11.199 -2.559 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.340 9.213 -0.119 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -5.710 8.559 -0.311 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.527 8.480 0.950 1.00 0.00 C ATOM 0 H VAL A 90 -2.370 10.979 -1.219 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.409 8.248 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.502 10.234 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.234 8.525 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.294 9.140 -1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.579 7.545 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.094 8.448 1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.320 7.463 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.587 9.006 1.116 1.00 0.00 H new ATOM 1394 N LYS A 91 -4.870 9.165 -3.470 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.641 9.689 -4.586 1.00 0.00 C ATOM 1396 C LYS A 91 -7.117 9.337 -4.390 1.00 0.00 C ATOM 1397 O LYS A 91 -7.491 8.759 -3.371 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.062 9.198 -5.914 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.107 8.023 -5.695 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.488 7.565 -7.018 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.615 8.665 -7.624 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.282 9.266 -8.801 1.00 0.00 N ATOM 0 H LYS A 91 -4.766 8.150 -3.463 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.574 10.776 -4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.872 8.894 -6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.534 10.013 -6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.318 8.315 -5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.644 7.194 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.889 6.670 -6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.278 7.295 -7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.419 9.435 -6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.650 8.252 -7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.700 10.045 -9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.401 8.543 -9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.214 9.633 -8.522 1.00 0.00 H new ATOM 1416 N THR A 92 -7.915 9.701 -5.383 1.00 0.00 N ATOM 1417 CA THR A 92 -9.342 9.431 -5.333 1.00 0.00 C ATOM 1418 C THR A 92 -9.605 7.928 -5.446 1.00 0.00 C ATOM 1419 O THR A 92 -9.403 7.337 -6.506 1.00 0.00 O ATOM 1420 CB THR A 92 -10.017 10.250 -6.434 1.00 0.00 C ATOM 1421 OG1 THR A 92 -9.686 11.599 -6.116 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.544 10.210 -6.342 1.00 0.00 C ATOM 0 H THR A 92 -7.601 10.180 -6.227 1.00 0.00 H new ATOM 0 HA THR A 92 -9.768 9.733 -4.376 1.00 0.00 H new ATOM 0 HB THR A 92 -9.702 9.876 -7.408 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.083 12.199 -6.782 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.973 10.807 -7.147 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.887 9.179 -6.433 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.861 10.615 -5.381 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.050 7.352 -4.339 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.342 5.929 -4.301 1.00 0.00 C ATOM 1432 C ASP A 93 -9.073 5.143 -4.634 1.00 0.00 C ATOM 1433 O ASP A 93 -9.141 4.068 -5.228 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.411 5.559 -5.331 1.00 0.00 C ATOM 1435 CG ASP A 93 -12.844 5.923 -4.935 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -12.999 6.512 -3.844 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -13.751 5.604 -5.733 1.00 0.00 O ATOM 0 H ASP A 93 -10.216 7.845 -3.461 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.704 5.686 -3.302 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.173 6.054 -6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.362 4.486 -5.514 1.00 0.00 H new ATOM 1442 N THR A 94 -7.943 5.710 -4.237 1.00 0.00 N ATOM 1443 CA THR A 94 -6.659 5.075 -4.486 1.00 0.00 C ATOM 1444 C THR A 94 -5.597 5.631 -3.535 1.00 0.00 C ATOM 1445 O THR A 94 -5.565 6.831 -3.267 1.00 0.00 O ATOM 1446 CB THR A 94 -6.314 5.270 -5.963 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.209 4.397 -6.647 1.00 0.00 O ATOM 1448 CG2 THR A 94 -4.926 4.732 -6.317 1.00 0.00 C ATOM 0 H THR A 94 -7.890 6.602 -3.745 1.00 0.00 H new ATOM 0 HA THR A 94 -6.701 4.004 -4.286 1.00 0.00 H new ATOM 0 HB THR A 94 -6.366 6.330 -6.210 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.806 3.967 -5.999 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.732 4.896 -7.377 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.172 5.252 -5.725 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.884 3.664 -6.101 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.752 4.731 -3.052 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.691 5.116 -2.138 1.00 0.00 C ATOM 1458 C VAL A 95 -2.355 5.113 -2.883 1.00 0.00 C ATOM 1459 O VAL A 95 -2.026 4.148 -3.571 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.695 4.197 -0.914 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.561 2.731 -1.330 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.594 4.591 0.071 1.00 0.00 C ATOM 0 H VAL A 95 -4.781 3.737 -3.277 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.855 6.128 -1.768 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.653 4.316 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.566 2.099 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.396 2.458 -1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.625 2.590 -1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.619 3.922 0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.623 4.516 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.754 5.617 0.404 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.621 6.204 -2.722 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.328 6.339 -3.371 1.00 0.00 C ATOM 1474 C LEU A 96 0.780 6.061 -2.353 1.00 0.00 C ATOM 1475 O LEU A 96 0.616 6.326 -1.164 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.210 7.705 -4.050 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.396 7.717 -5.569 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.080 9.042 -6.169 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.293 6.514 -6.215 1.00 0.00 C ATOM 0 H LEU A 96 -1.897 7.003 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.222 5.602 -4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.949 8.373 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.772 8.119 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.461 7.631 -5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.063 9.024 -7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.495 9.863 -5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.137 9.184 -5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.145 6.547 -7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.360 6.543 -5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.135 5.593 -5.818 1.00 0.00 H new ATOM 1491 N ILE A 97 1.883 5.529 -2.859 1.00 0.00 N ATOM 1492 CA ILE A 97 3.018 5.211 -2.009 1.00 0.00 C ATOM 1493 C ILE A 97 4.312 5.610 -2.723 1.00 0.00 C ATOM 1494 O ILE A 97 4.891 4.811 -3.458 1.00 0.00 O ATOM 1495 CB ILE A 97 2.977 3.741 -1.587 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.595 3.365 -1.048 1.00 0.00 C ATOM 1497 CG2 ILE A 97 4.089 3.427 -0.584 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.333 4.033 0.304 1.00 0.00 C ATOM 0 H ILE A 97 2.015 5.310 -3.846 1.00 0.00 H new ATOM 0 HA ILE A 97 2.973 5.785 -1.084 1.00 0.00 H new ATOM 0 HB ILE A 97 3.157 3.126 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.828 3.667 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.524 2.282 -0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.037 2.376 -0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.058 3.633 -1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.965 4.048 0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.344 3.749 0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.087 3.710 1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.381 5.116 0.190 1.00 0.00 H new ATOM 1510 N LEU A 98 4.727 6.844 -2.482 1.00 0.00 N ATOM 1511 CA LEU A 98 5.941 7.358 -3.093 1.00 0.00 C ATOM 1512 C LEU A 98 7.157 6.798 -2.351 1.00 0.00 C ATOM 1513 O LEU A 98 7.309 7.014 -1.149 1.00 0.00 O ATOM 1514 CB LEU A 98 5.907 8.887 -3.150 1.00 0.00 C ATOM 1515 CG LEU A 98 4.779 9.501 -3.982 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.262 10.789 -3.338 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.223 9.722 -5.430 1.00 0.00 C ATOM 0 H LEU A 98 4.244 7.504 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 98 6.016 7.025 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.829 9.267 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.859 9.237 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 98 3.948 8.796 -4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.461 11.205 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.881 10.570 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.075 11.511 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.403 10.159 -5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.078 10.397 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.504 8.767 -5.874 1.00 0.00 H new ATOM 1529 N CYS A 99 7.991 6.090 -3.098 1.00 0.00 N ATOM 1530 CA CYS A 99 9.188 5.497 -2.526 1.00 0.00 C ATOM 1531 C CYS A 99 10.404 6.078 -3.250 1.00 0.00 C ATOM 1532 O CYS A 99 10.663 5.741 -4.404 1.00 0.00 O ATOM 1533 CB CYS A 99 9.154 3.970 -2.601 1.00 0.00 C ATOM 1534 SG CYS A 99 8.306 3.289 -1.129 1.00 0.00 S ATOM 0 H CYS A 99 7.862 5.914 -4.094 1.00 0.00 H new ATOM 0 HA CYS A 99 9.247 5.741 -1.465 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.637 3.654 -3.507 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.169 3.578 -2.660 1.00 0.00 H new ATOM 0 HG CYS A 99 8.281 1.991 -1.204 1.00 0.00 H new ATOM 1540 N ARG A 100 11.119 6.940 -2.542 1.00 0.00 N ATOM 1541 CA ARG A 100 12.302 7.570 -3.103 1.00 0.00 C ATOM 1542 C ARG A 100 13.309 6.507 -3.548 1.00 0.00 C ATOM 1543 O ARG A 100 13.393 5.437 -2.948 1.00 0.00 O ATOM 1544 CB ARG A 100 12.967 8.498 -2.084 1.00 0.00 C ATOM 1545 CG ARG A 100 12.481 9.938 -2.255 1.00 0.00 C ATOM 1546 CD ARG A 100 12.582 10.381 -3.716 1.00 0.00 C ATOM 1547 NE ARG A 100 11.256 10.286 -4.367 1.00 0.00 N ATOM 1548 CZ ARG A 100 10.232 11.112 -4.111 1.00 0.00 C ATOM 1549 NH1 ARG A 100 10.376 12.099 -3.217 1.00 0.00 N ATOM 1550 NH2 ARG A 100 9.065 10.950 -4.749 1.00 0.00 N ATOM 0 H ARG A 100 10.902 7.217 -1.585 1.00 0.00 H new ATOM 0 HA ARG A 100 11.987 8.160 -3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.745 8.153 -1.074 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.050 8.459 -2.204 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.448 10.019 -1.917 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.075 10.603 -1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.950 11.406 -3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.302 9.756 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 100 11.113 9.545 -5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.265 12.222 -2.731 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.597 12.728 -3.022 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.956 10.198 -5.429 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.286 11.579 -4.554 1.00 0.00 H new ATOM 1564 N LYS A 101 14.047 6.840 -4.597 1.00 0.00 N ATOM 1565 CA LYS A 101 15.045 5.928 -5.129 1.00 0.00 C ATOM 1566 C LYS A 101 16.416 6.283 -4.549 1.00 0.00 C ATOM 1567 O LYS A 101 16.767 7.458 -4.450 1.00 0.00 O ATOM 1568 CB LYS A 101 15.007 5.926 -6.659 1.00 0.00 C ATOM 1569 CG LYS A 101 14.298 4.677 -7.187 1.00 0.00 C ATOM 1570 CD LYS A 101 14.545 4.499 -8.687 1.00 0.00 C ATOM 1571 CE LYS A 101 13.779 3.291 -9.229 1.00 0.00 C ATOM 1572 NZ LYS A 101 14.706 2.342 -9.886 1.00 0.00 N ATOM 0 H LYS A 101 13.974 7.729 -5.093 1.00 0.00 H new ATOM 0 HA LYS A 101 14.825 4.904 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.493 6.819 -7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 101 16.023 5.966 -7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.654 3.798 -6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.227 4.755 -6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.236 5.399 -9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.612 4.370 -8.871 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.254 2.791 -8.415 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.023 3.622 -9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.266 1.400 -9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.914 2.671 -10.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.590 2.287 -9.341 1.00 0.00 H new ATOM 1585 N LYS A 102 17.153 5.246 -4.181 1.00 0.00 N ATOM 1586 CA LYS A 102 18.478 5.433 -3.613 1.00 0.00 C ATOM 1587 C LYS A 102 19.470 5.740 -4.736 1.00 0.00 C ATOM 1588 O LYS A 102 20.496 6.379 -4.505 1.00 0.00 O ATOM 1589 CB LYS A 102 18.870 4.227 -2.758 1.00 0.00 C ATOM 1590 CG LYS A 102 20.061 4.557 -1.856 1.00 0.00 C ATOM 1591 CD LYS A 102 20.229 3.503 -0.761 1.00 0.00 C ATOM 1592 CE LYS A 102 21.700 3.352 -0.366 1.00 0.00 C ATOM 1593 NZ LYS A 102 22.263 4.658 0.043 1.00 0.00 N ATOM 0 H LYS A 102 16.858 4.273 -4.265 1.00 0.00 H new ATOM 0 HA LYS A 102 18.486 6.288 -2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 102 18.021 3.919 -2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 102 19.121 3.385 -3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.970 4.613 -2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.917 5.538 -1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.641 3.784 0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.842 2.546 -1.110 1.00 0.00 H new ATOM 0 HE2 LYS A 102 21.792 2.638 0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 102 22.269 2.951 -1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 23.163 4.507 0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 22.429 5.244 -0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.594 5.142 0.675 1.00 0.00 H new ATOM 1607 N VAL A 103 19.131 5.271 -5.927 1.00 0.00 N ATOM 1608 CA VAL A 103 19.979 5.487 -7.087 1.00 0.00 C ATOM 1609 C VAL A 103 19.110 5.552 -8.344 1.00 0.00 C ATOM 1610 O VAL A 103 18.435 4.583 -8.687 1.00 0.00 O ATOM 1611 CB VAL A 103 21.054 4.401 -7.158 1.00 0.00 C ATOM 1612 CG1 VAL A 103 20.717 3.234 -6.228 1.00 0.00 C ATOM 1613 CG2 VAL A 103 21.249 3.917 -8.597 1.00 0.00 C ATOM 0 H VAL A 103 18.280 4.741 -6.114 1.00 0.00 H new ATOM 0 HA VAL A 103 20.503 6.439 -7.005 1.00 0.00 H new ATOM 0 HB VAL A 103 21.994 4.837 -6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.497 2.476 -6.298 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.652 3.594 -5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.762 2.799 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.018 3.145 -8.620 1.00 0.00 H new ATOM 0 HG22 VAL A 103 20.312 3.506 -8.973 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.556 4.754 -9.224 1.00 0.00 H new ATOM 1623 N GLU A 104 19.156 6.704 -8.998 1.00 0.00 N ATOM 1624 CA GLU A 104 18.382 6.908 -10.210 1.00 0.00 C ATOM 1625 C GLU A 104 18.800 5.901 -11.283 1.00 0.00 C ATOM 1626 O GLU A 104 19.590 4.997 -11.017 1.00 0.00 O ATOM 1627 CB GLU A 104 18.527 8.344 -10.718 1.00 0.00 C ATOM 1628 CG GLU A 104 18.303 9.351 -9.589 1.00 0.00 C ATOM 1629 CD GLU A 104 17.043 9.010 -8.792 1.00 0.00 C ATOM 1630 OE1 GLU A 104 17.064 7.955 -8.121 1.00 0.00 O ATOM 1631 OE2 GLU A 104 16.087 9.811 -8.871 1.00 0.00 O ATOM 0 H GLU A 104 19.718 7.506 -8.711 1.00 0.00 H new ATOM 0 HA GLU A 104 17.330 6.745 -9.978 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.521 8.484 -11.143 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.809 8.524 -11.518 1.00 0.00 H new ATOM 0 HG2 GLU A 104 19.167 9.356 -8.925 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.214 10.355 -10.005 1.00 0.00 H new ATOM 1638 N ASN A 105 18.252 6.092 -12.474 1.00 0.00 N ATOM 1639 CA ASN A 105 18.558 5.212 -13.589 1.00 0.00 C ATOM 1640 C ASN A 105 18.638 3.769 -13.086 1.00 0.00 C ATOM 1641 O ASN A 105 19.676 3.120 -13.211 1.00 0.00 O ATOM 1642 CB ASN A 105 19.907 5.568 -14.218 1.00 0.00 C ATOM 1643 CG ASN A 105 19.806 6.856 -15.038 1.00 0.00 C ATOM 1644 OD1 ASN A 105 18.751 7.234 -15.521 1.00 0.00 O ATOM 1645 ND2 ASN A 105 20.959 7.506 -15.168 1.00 0.00 N ATOM 0 H ASN A 105 17.598 6.844 -12.691 1.00 0.00 H new ATOM 0 HA ASN A 105 17.771 5.326 -14.335 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.657 5.688 -13.436 1.00 0.00 H new ATOM 0 HB3 ASN A 105 20.241 4.751 -14.857 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.997 8.377 -15.698 1.00 0.00 H new ATOM 0 HD22 ASN A 105 21.806 7.134 -14.738 1.00 0.00 H new ATOM 1652 N THR A 106 17.527 3.307 -12.530 1.00 0.00 N ATOM 1653 CA THR A 106 17.458 1.953 -12.008 1.00 0.00 C ATOM 1654 C THR A 106 16.130 1.300 -12.395 1.00 0.00 C ATOM 1655 O THR A 106 15.078 1.932 -12.320 1.00 0.00 O ATOM 1656 CB THR A 106 17.686 2.016 -10.497 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.104 1.997 -10.359 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.225 0.745 -9.781 1.00 0.00 C ATOM 0 H THR A 106 16.667 3.847 -12.430 1.00 0.00 H new ATOM 0 HA THR A 106 18.234 1.322 -12.442 1.00 0.00 H new ATOM 0 HB THR A 106 17.157 2.876 -10.086 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.344 1.569 -9.511 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.410 0.843 -8.711 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.159 0.597 -9.953 1.00 0.00 H new ATOM 0 HG23 THR A 106 17.778 -0.111 -10.168 1.00 0.00 H new ATOM 1666 N ARG A 107 16.222 0.042 -12.801 1.00 0.00 N ATOM 1667 CA ARG A 107 15.041 -0.704 -13.201 1.00 0.00 C ATOM 1668 C ARG A 107 14.606 -1.649 -12.079 1.00 0.00 C ATOM 1669 O ARG A 107 15.445 -2.222 -11.385 1.00 0.00 O ATOM 1670 CB ARG A 107 15.306 -1.517 -14.469 1.00 0.00 C ATOM 1671 CG ARG A 107 13.994 -1.965 -15.117 1.00 0.00 C ATOM 1672 CD ARG A 107 13.929 -1.530 -16.582 1.00 0.00 C ATOM 1673 NE ARG A 107 12.993 -0.394 -16.732 1.00 0.00 N ATOM 1674 CZ ARG A 107 12.797 0.273 -17.878 1.00 0.00 C ATOM 1675 NH1 ARG A 107 13.471 -0.079 -18.981 1.00 0.00 N ATOM 1676 NH2 ARG A 107 11.927 1.291 -17.920 1.00 0.00 N ATOM 0 H ARG A 107 17.096 -0.480 -12.862 1.00 0.00 H new ATOM 0 HA ARG A 107 14.247 0.015 -13.404 1.00 0.00 H new ATOM 0 HB2 ARG A 107 15.879 -0.918 -15.176 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.912 -2.390 -14.226 1.00 0.00 H new ATOM 0 HG2 ARG A 107 13.904 -3.049 -15.052 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.151 -1.542 -14.571 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.921 -1.242 -16.929 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.604 -2.364 -17.203 1.00 0.00 H new ATOM 0 HE ARG A 107 12.463 -0.100 -15.911 1.00 0.00 H new ATOM 0 HH11 ARG A 107 14.133 -0.854 -18.948 1.00 0.00 H new ATOM 0 HH12 ARG A 107 13.322 0.428 -19.853 1.00 0.00 H new ATOM 0 HH21 ARG A 107 11.414 1.558 -17.080 1.00 0.00 H new ATOM 0 HH22 ARG A 107 11.778 1.799 -18.792 1.00 0.00 H new ATOM 1690 N TRP A 108 13.296 -1.783 -11.936 1.00 0.00 N ATOM 1691 CA TRP A 108 12.739 -2.649 -10.910 1.00 0.00 C ATOM 1692 C TRP A 108 12.030 -3.812 -11.607 1.00 0.00 C ATOM 1693 O TRP A 108 10.861 -3.701 -11.974 1.00 0.00 O ATOM 1694 CB TRP A 108 11.821 -1.866 -9.971 1.00 0.00 C ATOM 1695 CG TRP A 108 12.565 -1.005 -8.948 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.712 -0.333 -9.114 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.164 -0.750 -7.585 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.079 0.334 -7.963 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.108 0.072 -7.003 1.00 0.00 C ATOM 1700 CE3 TRP A 108 11.042 -1.200 -6.867 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.025 0.517 -5.678 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 10.974 -0.747 -5.544 1.00 0.00 C ATOM 1703 CH2 TRP A 108 11.915 0.082 -4.944 1.00 0.00 C ATOM 0 H TRP A 108 12.603 -1.306 -12.514 1.00 0.00 H new ATOM 0 HA TRP A 108 13.528 -3.052 -10.275 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.171 -1.225 -10.566 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.177 -2.568 -9.440 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.278 -0.315 -10.033 1.00 0.00 H new ATOM 0 HE1 TRP A 108 14.910 0.913 -7.839 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.292 -1.844 -7.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 13.777 1.161 -5.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.131 -1.064 -4.948 1.00 0.00 H new ATOM 0 HH2 TRP A 108 11.790 0.389 -3.916 1.00 0.00 H new ATOM 1714 N ASP A 109 12.767 -4.901 -11.769 1.00 0.00 N ATOM 1715 CA ASP A 109 12.223 -6.084 -12.416 1.00 0.00 C ATOM 1716 C ASP A 109 10.998 -6.567 -11.637 1.00 0.00 C ATOM 1717 O ASP A 109 10.168 -7.301 -12.172 1.00 0.00 O ATOM 1718 CB ASP A 109 13.248 -7.219 -12.438 1.00 0.00 C ATOM 1719 CG ASP A 109 14.152 -7.251 -13.672 1.00 0.00 C ATOM 1720 OD1 ASP A 109 13.693 -6.756 -14.724 1.00 0.00 O ATOM 1721 OD2 ASP A 109 15.281 -7.769 -13.536 1.00 0.00 O ATOM 0 H ASP A 109 13.736 -4.989 -11.464 1.00 0.00 H new ATOM 0 HA ASP A 109 11.958 -5.818 -13.439 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.874 -7.140 -11.549 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.717 -8.169 -12.370 1.00 0.00 H new ATOM 1726 N TYR A 110 10.924 -6.136 -10.386 1.00 0.00 N ATOM 1727 CA TYR A 110 9.814 -6.516 -9.529 1.00 0.00 C ATOM 1728 C TYR A 110 9.642 -5.520 -8.381 1.00 0.00 C ATOM 1729 O TYR A 110 10.625 -5.056 -7.804 1.00 0.00 O ATOM 1730 CB TYR A 110 10.177 -7.885 -8.950 1.00 0.00 C ATOM 1731 CG TYR A 110 10.437 -8.959 -10.009 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.379 -9.646 -10.568 1.00 0.00 C ATOM 1733 CD2 TYR A 110 11.729 -9.241 -10.403 1.00 0.00 C ATOM 1734 CE1 TYR A 110 9.624 -10.657 -11.565 1.00 0.00 C ATOM 1735 CE2 TYR A 110 11.974 -10.251 -11.399 1.00 0.00 C ATOM 1736 CZ TYR A 110 10.909 -10.910 -11.931 1.00 0.00 C ATOM 1737 OH TYR A 110 11.140 -11.864 -12.872 1.00 0.00 O ATOM 0 H TYR A 110 11.614 -5.528 -9.946 1.00 0.00 H new ATOM 0 HA TYR A 110 8.882 -6.535 -10.094 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.065 -7.781 -8.327 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.369 -8.219 -8.299 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.368 -9.426 -10.258 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.557 -8.704 -9.964 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.805 -11.202 -12.012 1.00 0.00 H new ATOM 0 HE2 TYR A 110 12.980 -10.481 -11.717 1.00 0.00 H new ATOM 0 HH TYR A 110 12.104 -11.936 -13.035 1.00 0.00 H new ATOM 1747 N LEU A 111 8.386 -5.220 -8.083 1.00 0.00 N ATOM 1748 CA LEU A 111 8.073 -4.287 -7.014 1.00 0.00 C ATOM 1749 C LEU A 111 8.941 -4.605 -5.794 1.00 0.00 C ATOM 1750 O LEU A 111 9.522 -3.705 -5.190 1.00 0.00 O ATOM 1751 CB LEU A 111 6.572 -4.295 -6.718 1.00 0.00 C ATOM 1752 CG LEU A 111 6.006 -3.024 -6.082 1.00 0.00 C ATOM 1753 CD1 LEU A 111 4.742 -3.329 -5.278 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.067 -2.315 -5.237 1.00 0.00 C ATOM 0 H LEU A 111 7.573 -5.607 -8.563 1.00 0.00 H new ATOM 0 HA LEU A 111 8.310 -3.267 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.039 -4.479 -7.651 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.357 -5.135 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 111 5.721 -2.340 -6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.360 -2.408 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.986 -3.756 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.977 -4.040 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.639 -1.415 -4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.406 -2.982 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 111 7.913 -2.043 -5.868 1.00 0.00 H new ATOM 1766 N THR A 112 9.003 -5.888 -5.470 1.00 0.00 N ATOM 1767 CA THR A 112 9.790 -6.336 -4.334 1.00 0.00 C ATOM 1768 C THR A 112 10.916 -7.263 -4.797 1.00 0.00 C ATOM 1769 O THR A 112 10.907 -7.736 -5.933 1.00 0.00 O ATOM 1770 CB THR A 112 8.840 -6.989 -3.328 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.145 -7.969 -4.093 1.00 0.00 O ATOM 1772 CG2 THR A 112 7.741 -6.035 -2.856 1.00 0.00 C ATOM 0 H THR A 112 8.521 -6.632 -5.975 1.00 0.00 H new ATOM 0 HA THR A 112 10.283 -5.499 -3.840 1.00 0.00 H new ATOM 0 HB THR A 112 9.409 -7.341 -2.467 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.508 -8.442 -3.518 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.095 -6.548 -2.144 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.194 -5.168 -2.376 1.00 0.00 H new ATOM 0 HG23 THR A 112 7.150 -5.708 -3.712 1.00 0.00 H new ATOM 1780 N GLN A 113 11.858 -7.494 -3.895 1.00 0.00 N ATOM 1781 CA GLN A 113 12.988 -8.356 -4.197 1.00 0.00 C ATOM 1782 C GLN A 113 12.565 -9.825 -4.140 1.00 0.00 C ATOM 1783 O GLN A 113 13.266 -10.697 -4.651 1.00 0.00 O ATOM 1784 CB GLN A 113 14.155 -8.084 -3.246 1.00 0.00 C ATOM 1785 CG GLN A 113 15.114 -9.275 -3.200 1.00 0.00 C ATOM 1786 CD GLN A 113 16.347 -8.953 -2.353 1.00 0.00 C ATOM 1787 OE1 GLN A 113 16.271 -8.751 -1.152 1.00 0.00 O ATOM 1788 NE2 GLN A 113 17.484 -8.917 -3.043 1.00 0.00 N ATOM 0 H GLN A 113 11.862 -7.099 -2.955 1.00 0.00 H new ATOM 0 HA GLN A 113 13.328 -8.135 -5.209 1.00 0.00 H new ATOM 0 HB2 GLN A 113 14.692 -7.192 -3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 113 13.774 -7.881 -2.245 1.00 0.00 H new ATOM 0 HG2 GLN A 113 14.601 -10.144 -2.787 1.00 0.00 H new ATOM 0 HG3 GLN A 113 15.422 -9.538 -4.212 1.00 0.00 H new ATOM 0 HE21 GLN A 113 17.477 -9.096 -4.047 1.00 0.00 H new ATOM 0 HE22 GLN A 113 18.363 -8.711 -2.568 1.00 0.00 H new ATOM 1797 N VAL A 114 11.421 -10.055 -3.513 1.00 0.00 N ATOM 1798 CA VAL A 114 10.896 -11.403 -3.382 1.00 0.00 C ATOM 1799 C VAL A 114 10.544 -11.946 -4.768 1.00 0.00 C ATOM 1800 O VAL A 114 11.114 -12.941 -5.213 1.00 0.00 O ATOM 1801 CB VAL A 114 9.709 -11.412 -2.417 1.00 0.00 C ATOM 1802 CG1 VAL A 114 9.106 -12.813 -2.301 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.114 -10.874 -1.043 1.00 0.00 C ATOM 0 H VAL A 114 10.842 -9.329 -3.090 1.00 0.00 H new ATOM 0 HA VAL A 114 11.649 -12.065 -2.955 1.00 0.00 H new ATOM 0 HB VAL A 114 8.944 -10.751 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.264 -12.791 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 114 8.761 -13.143 -3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 114 9.862 -13.505 -1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 114 9.252 -10.891 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.906 -11.497 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.473 -9.850 -1.145 1.00 0.00 H new ATOM 1813 N GLU A 115 9.606 -11.267 -5.413 1.00 0.00 N ATOM 1814 CA GLU A 115 9.171 -11.668 -6.740 1.00 0.00 C ATOM 1815 C GLU A 115 10.361 -12.174 -7.559 1.00 0.00 C ATOM 1816 O GLU A 115 10.294 -13.242 -8.164 1.00 0.00 O ATOM 1817 CB GLU A 115 8.463 -10.517 -7.457 1.00 0.00 C ATOM 1818 CG GLU A 115 7.071 -10.940 -7.931 1.00 0.00 C ATOM 1819 CD GLU A 115 6.129 -9.737 -8.008 1.00 0.00 C ATOM 1820 OE1 GLU A 115 6.432 -8.733 -7.327 1.00 0.00 O ATOM 1821 OE2 GLU A 115 5.126 -9.847 -8.746 1.00 0.00 O ATOM 0 H GLU A 115 9.135 -10.442 -5.041 1.00 0.00 H new ATOM 0 HA GLU A 115 8.454 -12.482 -6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.378 -9.663 -6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.059 -10.194 -8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.144 -11.412 -8.911 1.00 0.00 H new ATOM 0 HG3 GLU A 115 6.661 -11.684 -7.248 1.00 0.00 H new ATOM 1828 N LYS A 116 11.423 -11.381 -7.551 1.00 0.00 N ATOM 1829 CA LYS A 116 12.626 -11.735 -8.285 1.00 0.00 C ATOM 1830 C LYS A 116 12.999 -13.186 -7.976 1.00 0.00 C ATOM 1831 O LYS A 116 12.786 -14.074 -8.800 1.00 0.00 O ATOM 1832 CB LYS A 116 13.747 -10.736 -7.990 1.00 0.00 C ATOM 1833 CG LYS A 116 15.054 -11.165 -8.660 1.00 0.00 C ATOM 1834 CD LYS A 116 15.213 -10.499 -10.028 1.00 0.00 C ATOM 1835 CE LYS A 116 15.345 -11.547 -11.136 1.00 0.00 C ATOM 1836 NZ LYS A 116 15.627 -10.895 -12.434 1.00 0.00 N ATOM 0 H LYS A 116 11.475 -10.495 -7.048 1.00 0.00 H new ATOM 0 HA LYS A 116 12.449 -11.673 -9.359 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.460 -9.746 -8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.895 -10.658 -6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 116 15.898 -10.900 -8.022 1.00 0.00 H new ATOM 0 HG3 LYS A 116 15.069 -12.249 -8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.353 -9.860 -10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 116 16.093 -9.856 -10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 116 16.146 -12.245 -10.891 1.00 0.00 H new ATOM 0 HE3 LYS A 116 14.426 -12.128 -11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 15.714 -11.620 -13.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 14.850 -10.247 -12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.516 -10.360 -12.368 1.00 0.00 H new ATOM 1850 N GLU A 117 13.548 -13.383 -6.787 1.00 0.00 N ATOM 1851 CA GLU A 117 13.952 -14.711 -6.359 1.00 0.00 C ATOM 1852 C GLU A 117 12.901 -15.744 -6.770 1.00 0.00 C ATOM 1853 O GLU A 117 13.172 -16.618 -7.592 1.00 0.00 O ATOM 1854 CB GLU A 117 14.199 -14.750 -4.849 1.00 0.00 C ATOM 1855 CG GLU A 117 15.544 -14.112 -4.497 1.00 0.00 C ATOM 1856 CD GLU A 117 16.706 -14.996 -4.955 1.00 0.00 C ATOM 1857 OE1 GLU A 117 17.006 -14.956 -6.167 1.00 0.00 O ATOM 1858 OE2 GLU A 117 17.269 -15.691 -4.081 1.00 0.00 O ATOM 0 H GLU A 117 13.723 -12.644 -6.106 1.00 0.00 H new ATOM 0 HA GLU A 117 14.891 -14.960 -6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 117 13.396 -14.224 -4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.180 -15.783 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 117 15.620 -13.132 -4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 117 15.605 -13.954 -3.420 1.00 0.00 H new ATOM 1865 N CYS A 118 11.723 -15.609 -6.179 1.00 0.00 N ATOM 1866 CA CYS A 118 10.629 -16.519 -6.473 1.00 0.00 C ATOM 1867 C CYS A 118 10.599 -16.762 -7.983 1.00 0.00 C ATOM 1868 O CYS A 118 10.838 -17.879 -8.440 1.00 0.00 O ATOM 1869 CB CYS A 118 9.293 -15.984 -5.954 1.00 0.00 C ATOM 1870 SG CYS A 118 8.148 -17.373 -5.625 1.00 0.00 S ATOM 0 H CYS A 118 11.502 -14.883 -5.498 1.00 0.00 H new ATOM 0 HA CYS A 118 10.791 -17.465 -5.957 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.452 -15.409 -5.042 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.854 -15.306 -6.686 1.00 0.00 H new ATOM 0 HG CYS A 118 7.017 -16.908 -5.183 1.00 0.00 H new ATOM 1876 N LYS A 119 10.304 -15.698 -8.716 1.00 0.00 N ATOM 1877 CA LYS A 119 10.240 -15.782 -10.165 1.00 0.00 C ATOM 1878 C LYS A 119 11.446 -16.571 -10.679 1.00 0.00 C ATOM 1879 O LYS A 119 11.287 -17.634 -11.278 1.00 0.00 O ATOM 1880 CB LYS A 119 10.112 -14.386 -10.777 1.00 0.00 C ATOM 1881 CG LYS A 119 8.790 -13.730 -10.375 1.00 0.00 C ATOM 1882 CD LYS A 119 7.646 -14.209 -11.272 1.00 0.00 C ATOM 1883 CE LYS A 119 7.962 -13.955 -12.747 1.00 0.00 C ATOM 1884 NZ LYS A 119 6.720 -13.678 -13.503 1.00 0.00 N ATOM 0 H LYS A 119 10.107 -14.773 -8.333 1.00 0.00 H new ATOM 0 HA LYS A 119 9.347 -16.324 -10.477 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.945 -13.764 -10.450 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.173 -14.454 -11.863 1.00 0.00 H new ATOM 0 HG2 LYS A 119 8.564 -13.965 -9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.882 -12.646 -10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 119 7.474 -15.273 -11.111 1.00 0.00 H new ATOM 0 HD3 LYS A 119 6.725 -13.693 -11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 119 8.646 -13.111 -12.838 1.00 0.00 H new ATOM 0 HE3 LYS A 119 8.467 -14.823 -13.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.952 -13.508 -14.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.080 -14.495 -13.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.254 -12.837 -13.108 1.00 0.00 H new ATOM 1898 N GLU A 120 12.624 -16.021 -10.427 1.00 0.00 N ATOM 1899 CA GLU A 120 13.856 -16.660 -10.858 1.00 0.00 C ATOM 1900 C GLU A 120 14.263 -17.751 -9.866 1.00 0.00 C ATOM 1901 O GLU A 120 15.047 -17.503 -8.951 1.00 0.00 O ATOM 1902 CB GLU A 120 14.976 -15.632 -11.031 1.00 0.00 C ATOM 1903 CG GLU A 120 14.828 -14.877 -12.354 1.00 0.00 C ATOM 1904 CD GLU A 120 15.186 -15.775 -13.540 1.00 0.00 C ATOM 1905 OE1 GLU A 120 14.272 -16.484 -14.012 1.00 0.00 O ATOM 1906 OE2 GLU A 120 16.367 -15.732 -13.948 1.00 0.00 O ATOM 0 H GLU A 120 12.752 -15.140 -9.930 1.00 0.00 H new ATOM 0 HA GLU A 120 13.681 -17.125 -11.828 1.00 0.00 H new ATOM 0 HB2 GLU A 120 14.957 -14.926 -10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 120 15.943 -16.134 -11.001 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.804 -14.519 -12.460 1.00 0.00 H new ATOM 0 HG3 GLU A 120 15.474 -13.999 -12.350 1.00 0.00 H new ATOM 1913 N LYS A 121 13.711 -18.937 -10.080 1.00 0.00 N ATOM 1914 CA LYS A 121 14.007 -20.067 -9.216 1.00 0.00 C ATOM 1915 C LYS A 121 15.513 -20.121 -8.951 1.00 0.00 C ATOM 1916 O LYS A 121 15.953 -19.967 -7.813 1.00 0.00 O ATOM 1917 CB LYS A 121 13.440 -21.358 -9.810 1.00 0.00 C ATOM 1918 CG LYS A 121 12.096 -21.713 -9.169 1.00 0.00 C ATOM 1919 CD LYS A 121 11.046 -22.028 -10.236 1.00 0.00 C ATOM 1920 CE LYS A 121 10.074 -20.860 -10.411 1.00 0.00 C ATOM 1921 NZ LYS A 121 9.030 -20.893 -9.363 1.00 0.00 N ATOM 0 H LYS A 121 13.061 -19.139 -10.839 1.00 0.00 H new ATOM 0 HA LYS A 121 13.518 -19.946 -8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 121 13.314 -21.243 -10.887 1.00 0.00 H new ATOM 0 HB3 LYS A 121 14.147 -22.174 -9.657 1.00 0.00 H new ATOM 0 HG2 LYS A 121 12.219 -22.572 -8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 121 11.754 -20.883 -8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 121 11.539 -22.241 -11.185 1.00 0.00 H new ATOM 0 HD3 LYS A 121 10.495 -22.925 -9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 121 10.617 -19.916 -10.362 1.00 0.00 H new ATOM 0 HE3 LYS A 121 9.610 -20.910 -11.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 8.379 -20.093 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.500 -21.786 -9.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 9.476 -20.823 -8.426 1.00 0.00 H new ATOM 1935 N SER A 122 16.262 -20.341 -10.022 1.00 0.00 N ATOM 1936 CA SER A 122 17.709 -20.418 -9.920 1.00 0.00 C ATOM 1937 C SER A 122 18.295 -19.017 -9.730 1.00 0.00 C ATOM 1938 O SER A 122 18.886 -18.722 -8.692 1.00 0.00 O ATOM 1939 CB SER A 122 18.314 -21.083 -11.157 1.00 0.00 C ATOM 1940 OG SER A 122 19.708 -21.337 -10.999 1.00 0.00 O ATOM 0 H SER A 122 15.893 -20.468 -10.965 1.00 0.00 H new ATOM 0 HA SER A 122 17.959 -21.030 -9.054 1.00 0.00 H new ATOM 0 HB2 SER A 122 17.795 -22.021 -11.355 1.00 0.00 H new ATOM 0 HB3 SER A 122 18.158 -20.443 -12.025 1.00 0.00 H new ATOM 0 HG SER A 122 20.057 -21.764 -11.809 1.00 0.00 H new ATOM 1946 N GLY A 123 18.111 -18.190 -10.749 1.00 0.00 N ATOM 1947 CA GLY A 123 18.614 -16.828 -10.708 1.00 0.00 C ATOM 1948 C GLY A 123 20.117 -16.789 -10.994 1.00 0.00 C ATOM 1949 O GLY A 123 20.769 -17.831 -11.052 1.00 0.00 O ATOM 0 H GLY A 123 17.620 -18.438 -11.608 1.00 0.00 H new ATOM 0 HA2 GLY A 123 18.085 -16.219 -11.441 1.00 0.00 H new ATOM 0 HA3 GLY A 123 18.415 -16.393 -9.729 1.00 0.00 H new ATOM 1953 N PRO A 124 20.637 -15.545 -11.169 1.00 0.00 N ATOM 1954 CA PRO A 124 22.051 -15.357 -11.448 1.00 0.00 C ATOM 1955 C PRO A 124 22.891 -15.568 -10.186 1.00 0.00 C ATOM 1956 O PRO A 124 22.404 -15.377 -9.073 1.00 0.00 O ATOM 1957 CB PRO A 124 22.158 -13.946 -12.003 1.00 0.00 C ATOM 1958 CG PRO A 124 20.882 -13.235 -11.584 1.00 0.00 C ATOM 1959 CD PRO A 124 19.896 -14.289 -11.107 1.00 0.00 C ATOM 0 HA PRO A 124 22.439 -16.083 -12.163 1.00 0.00 H new ATOM 0 HB2 PRO A 124 23.037 -13.436 -11.608 1.00 0.00 H new ATOM 0 HB3 PRO A 124 22.259 -13.960 -13.088 1.00 0.00 H new ATOM 0 HG2 PRO A 124 21.088 -12.518 -10.790 1.00 0.00 H new ATOM 0 HG3 PRO A 124 20.466 -12.674 -12.420 1.00 0.00 H new ATOM 0 HD2 PRO A 124 19.554 -14.081 -10.093 1.00 0.00 H new ATOM 0 HD3 PRO A 124 19.011 -14.320 -11.742 1.00 0.00 H new ATOM 1967 N SER A 125 24.138 -15.959 -10.403 1.00 0.00 N ATOM 1968 CA SER A 125 25.050 -16.198 -9.298 1.00 0.00 C ATOM 1969 C SER A 125 26.491 -16.246 -9.809 1.00 0.00 C ATOM 1970 O SER A 125 26.881 -17.194 -10.489 1.00 0.00 O ATOM 1971 CB SER A 125 24.703 -17.497 -8.568 1.00 0.00 C ATOM 1972 OG SER A 125 23.901 -17.263 -7.413 1.00 0.00 O ATOM 0 H SER A 125 24.538 -16.116 -11.328 1.00 0.00 H new ATOM 0 HA SER A 125 24.950 -15.376 -8.589 1.00 0.00 H new ATOM 0 HB2 SER A 125 24.173 -18.164 -9.248 1.00 0.00 H new ATOM 0 HB3 SER A 125 25.622 -18.004 -8.274 1.00 0.00 H new ATOM 0 HG SER A 125 23.210 -16.601 -7.623 1.00 0.00 H new ATOM 1978 N SER A 126 27.243 -15.211 -9.463 1.00 0.00 N ATOM 1979 CA SER A 126 28.632 -15.123 -9.879 1.00 0.00 C ATOM 1980 C SER A 126 29.548 -15.599 -8.749 1.00 0.00 C ATOM 1981 O SER A 126 29.293 -15.319 -7.579 1.00 0.00 O ATOM 1982 CB SER A 126 28.995 -13.694 -10.289 1.00 0.00 C ATOM 1983 OG SER A 126 30.404 -13.488 -10.318 1.00 0.00 O ATOM 0 H SER A 126 26.916 -14.426 -8.899 1.00 0.00 H new ATOM 0 HA SER A 126 28.770 -15.768 -10.747 1.00 0.00 H new ATOM 0 HB2 SER A 126 28.578 -13.482 -11.273 1.00 0.00 H new ATOM 0 HB3 SER A 126 28.540 -12.990 -9.592 1.00 0.00 H new ATOM 0 HG SER A 126 30.594 -12.565 -10.586 1.00 0.00 H new ATOM 1989 N GLY A 127 30.595 -16.310 -9.140 1.00 0.00 N ATOM 1990 CA GLY A 127 31.550 -16.828 -8.174 1.00 0.00 C ATOM 1991 C GLY A 127 32.822 -15.980 -8.153 1.00 0.00 C ATOM 1992 O GLY A 127 33.186 -15.374 -9.160 1.00 0.00 O ATOM 0 H GLY A 127 30.803 -16.540 -10.112 1.00 0.00 H new ATOM 0 HA2 GLY A 127 31.099 -16.839 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 127 31.800 -17.860 -8.422 1.00 0.00 H new TER 1996 GLY A 127