USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 724 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 88 HIS : no HD1:sc= -1.53 X(o=-2.7,f=-3) USER MOD Set 1.2: A 92 SER OG : rot -100:sc= -1.19 USER MOD Set 2.1: A 61 ASN : amide:sc= 0.0864 X(o=0.21,f=0.18) USER MOD Set 2.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 67 SER OG : rot 180:sc= 0.12 USER MOD Set 3.1: A 52 SER OG : rot -75:sc= 1.25 USER MOD Set 3.2: A 78 TYR OH : rot 1:sc= 2.27 USER MOD Set 4.1: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -57:sc= 0.0261 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 46:sc= 0.401 USER MOD Single : A 9 CYS SG : rot 32:sc= 0.00953 USER MOD Single : A 10 GLN : amide:sc= -0.554 K(o=-0.55,f=-4.4!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 17 GLN : amide:sc= -1.67 X(o=-1.7,f=-1.5) USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0418) USER MOD Single : A 26 THR OG1 : rot 35:sc= -3.76! USER MOD Single : A 27 ASN :FLIP amide:sc= -0.234 F(o=-2.5!,f=-0.23) USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00124) USER MOD Single : A 30 ASN : amide:sc= -4.14! C(o=-4.1!,f=-4.3!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 54 SER OG : rot 180:sc= -0.482 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.2) USER MOD Single : A 58 CYS SG : rot 18:sc= 0.198 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 134:sc= -0.157 USER MOD Single : A 81 ASN : amide:sc= -0.406 X(o=-0.41,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 165:sc= -0.0156 (180deg=-0.22) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.800 19.181 -8.196 1.00 0.00 N ATOM 2 CA GLY A 1 16.526 20.503 -8.729 1.00 0.00 C ATOM 3 C GLY A 1 15.280 21.123 -8.130 1.00 0.00 C ATOM 4 O GLY A 1 14.167 20.860 -8.585 1.00 0.00 O ATOM 0 H1 GLY A 1 17.662 18.801 -8.637 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.936 19.243 -7.167 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.999 18.551 -8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.380 21.153 -8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.412 20.439 -9.811 1.00 0.00 H new ATOM 8 N SER A 2 15.466 21.949 -7.105 1.00 0.00 N ATOM 9 CA SER A 2 14.347 22.604 -6.438 1.00 0.00 C ATOM 10 C SER A 2 13.842 23.786 -7.260 1.00 0.00 C ATOM 11 O SER A 2 14.572 24.748 -7.497 1.00 0.00 O ATOM 12 CB SER A 2 14.763 23.078 -5.044 1.00 0.00 C ATOM 13 OG SER A 2 14.964 21.980 -4.171 1.00 0.00 O ATOM 0 H SER A 2 16.381 22.180 -6.719 1.00 0.00 H new ATOM 0 HA SER A 2 13.539 21.879 -6.341 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.680 23.663 -5.114 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.995 23.735 -4.636 1.00 0.00 H new ATOM 0 HG SER A 2 15.231 22.309 -3.287 1.00 0.00 H new ATOM 19 N SER A 3 12.588 23.705 -7.692 1.00 0.00 N ATOM 20 CA SER A 3 11.985 24.766 -8.490 1.00 0.00 C ATOM 21 C SER A 3 10.803 25.394 -7.757 1.00 0.00 C ATOM 22 O SER A 3 9.763 25.668 -8.353 1.00 0.00 O ATOM 23 CB SER A 3 11.526 24.217 -9.843 1.00 0.00 C ATOM 24 OG SER A 3 11.359 25.261 -10.787 1.00 0.00 O ATOM 0 H SER A 3 11.970 22.916 -7.503 1.00 0.00 H new ATOM 0 HA SER A 3 12.739 25.536 -8.654 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.258 23.500 -10.215 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.586 23.679 -9.721 1.00 0.00 H new ATOM 0 HG SER A 3 10.718 25.916 -10.440 1.00 0.00 H new ATOM 30 N GLY A 4 10.974 25.619 -6.457 1.00 0.00 N ATOM 31 CA GLY A 4 9.915 26.212 -5.662 1.00 0.00 C ATOM 32 C GLY A 4 9.455 25.304 -4.539 1.00 0.00 C ATOM 33 O GLY A 4 8.659 24.391 -4.756 1.00 0.00 O ATOM 0 H GLY A 4 11.827 25.401 -5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.265 27.155 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.068 26.445 -6.307 1.00 0.00 H new ATOM 37 N SER A 5 9.958 25.555 -3.334 1.00 0.00 N ATOM 38 CA SER A 5 9.598 24.749 -2.173 1.00 0.00 C ATOM 39 C SER A 5 8.229 25.154 -1.634 1.00 0.00 C ATOM 40 O SER A 5 7.971 26.332 -1.388 1.00 0.00 O ATOM 41 CB SER A 5 10.654 24.896 -1.077 1.00 0.00 C ATOM 42 OG SER A 5 10.520 23.878 -0.100 1.00 0.00 O ATOM 0 H SER A 5 10.615 26.309 -3.137 1.00 0.00 H new ATOM 0 HA SER A 5 9.552 23.706 -2.486 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.650 24.852 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.558 25.873 -0.604 1.00 0.00 H new ATOM 0 HG SER A 5 11.208 23.993 0.589 1.00 0.00 H new ATOM 48 N SER A 6 7.356 24.169 -1.453 1.00 0.00 N ATOM 49 CA SER A 6 6.012 24.421 -0.947 1.00 0.00 C ATOM 50 C SER A 6 5.942 24.174 0.557 1.00 0.00 C ATOM 51 O SER A 6 5.789 23.038 1.004 1.00 0.00 O ATOM 52 CB SER A 6 4.997 23.533 -1.669 1.00 0.00 C ATOM 53 OG SER A 6 5.392 22.173 -1.632 1.00 0.00 O ATOM 0 H SER A 6 7.555 23.188 -1.649 1.00 0.00 H new ATOM 0 HA SER A 6 5.769 25.466 -1.137 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.017 23.643 -1.204 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.897 23.858 -2.705 1.00 0.00 H new ATOM 0 HG SER A 6 5.681 21.941 -0.725 1.00 0.00 H new ATOM 59 N GLY A 7 6.057 25.248 1.333 1.00 0.00 N ATOM 60 CA GLY A 7 6.005 25.127 2.778 1.00 0.00 C ATOM 61 C GLY A 7 4.704 24.517 3.263 1.00 0.00 C ATOM 62 O GLY A 7 3.691 25.206 3.376 1.00 0.00 O ATOM 0 H GLY A 7 6.185 26.199 0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.839 24.514 3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.130 26.112 3.227 1.00 0.00 H new ATOM 66 N GLY A 8 4.731 23.219 3.549 1.00 0.00 N ATOM 67 CA GLY A 8 3.539 22.538 4.019 1.00 0.00 C ATOM 68 C GLY A 8 3.267 21.255 3.259 1.00 0.00 C ATOM 69 O GLY A 8 2.621 21.272 2.210 1.00 0.00 O ATOM 0 H GLY A 8 5.557 22.627 3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.648 22.312 5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.681 23.204 3.921 1.00 0.00 H new ATOM 73 N CYS A 9 3.761 20.141 3.787 1.00 0.00 N ATOM 74 CA CYS A 9 3.569 18.843 3.149 1.00 0.00 C ATOM 75 C CYS A 9 2.093 18.595 2.854 1.00 0.00 C ATOM 76 O CYS A 9 1.230 18.862 3.690 1.00 0.00 O ATOM 77 CB CYS A 9 4.118 17.728 4.041 1.00 0.00 C ATOM 78 SG CYS A 9 3.484 17.756 5.734 1.00 0.00 S ATOM 0 H CYS A 9 4.297 20.110 4.654 1.00 0.00 H new ATOM 0 HA CYS A 9 4.114 18.845 2.205 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.877 16.765 3.590 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.205 17.803 4.070 1.00 0.00 H new ATOM 0 HG CYS A 9 2.269 18.217 5.735 1.00 0.00 H new ATOM 84 N GLN A 10 1.812 18.083 1.660 1.00 0.00 N ATOM 85 CA GLN A 10 0.440 17.802 1.254 1.00 0.00 C ATOM 86 C GLN A 10 0.214 16.301 1.105 1.00 0.00 C ATOM 87 O GLN A 10 0.432 15.719 0.042 1.00 0.00 O ATOM 88 CB GLN A 10 0.119 18.512 -0.062 1.00 0.00 C ATOM 89 CG GLN A 10 -0.081 20.011 0.088 1.00 0.00 C ATOM 90 CD GLN A 10 -0.375 20.696 -1.232 1.00 0.00 C ATOM 91 OE1 GLN A 10 -1.041 20.133 -2.102 1.00 0.00 O ATOM 92 NE2 GLN A 10 0.121 21.917 -1.389 1.00 0.00 N ATOM 0 H GLN A 10 2.515 17.855 0.958 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.226 18.176 2.031 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.928 18.331 -0.770 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.783 18.075 -0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.902 20.197 0.780 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.813 20.451 0.530 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.667 22.346 -0.642 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.044 22.427 -2.257 1.00 0.00 H new ATOM 101 N PRO A 11 -0.233 15.658 2.193 1.00 0.00 N ATOM 102 CA PRO A 11 -0.499 14.216 2.208 1.00 0.00 C ATOM 103 C PRO A 11 -1.715 13.843 1.368 1.00 0.00 C ATOM 104 O PRO A 11 -1.997 12.663 1.157 1.00 0.00 O ATOM 105 CB PRO A 11 -0.759 13.919 3.687 1.00 0.00 C ATOM 106 CG PRO A 11 -1.235 15.211 4.255 1.00 0.00 C ATOM 107 CD PRO A 11 -0.515 16.289 3.494 1.00 0.00 C ATOM 0 HA PRO A 11 0.326 13.644 1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.506 13.134 3.808 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.147 13.576 4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.315 15.311 4.145 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.016 15.273 5.321 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.130 17.182 3.383 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.401 16.594 4.000 1.00 0.00 H new ATOM 115 N SER A 12 -2.432 14.854 0.890 1.00 0.00 N ATOM 116 CA SER A 12 -3.621 14.631 0.075 1.00 0.00 C ATOM 117 C SER A 12 -3.252 14.505 -1.400 1.00 0.00 C ATOM 118 O SER A 12 -3.990 13.913 -2.188 1.00 0.00 O ATOM 119 CB SER A 12 -4.619 15.775 0.267 1.00 0.00 C ATOM 120 OG SER A 12 -5.437 15.935 -0.879 1.00 0.00 O ATOM 0 H SER A 12 -2.211 15.836 1.053 1.00 0.00 H new ATOM 0 HA SER A 12 -4.083 13.698 0.397 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.243 15.575 1.138 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.081 16.702 0.466 1.00 0.00 H new ATOM 0 HG SER A 12 -6.067 16.671 -0.731 1.00 0.00 H new ATOM 126 N ARG A 13 -2.104 15.067 -1.767 1.00 0.00 N ATOM 127 CA ARG A 13 -1.637 15.019 -3.147 1.00 0.00 C ATOM 128 C ARG A 13 -1.176 13.612 -3.517 1.00 0.00 C ATOM 129 O ARG A 13 -1.042 13.281 -4.695 1.00 0.00 O ATOM 130 CB ARG A 13 -0.493 16.013 -3.355 1.00 0.00 C ATOM 131 CG ARG A 13 -0.926 17.468 -3.269 1.00 0.00 C ATOM 132 CD ARG A 13 -1.346 18.005 -4.628 1.00 0.00 C ATOM 133 NE ARG A 13 -2.675 17.539 -5.015 1.00 0.00 N ATOM 134 CZ ARG A 13 -3.796 17.945 -4.429 1.00 0.00 C ATOM 135 NH1 ARG A 13 -3.749 18.821 -3.436 1.00 0.00 N ATOM 136 NH2 ARG A 13 -4.967 17.474 -4.838 1.00 0.00 N ATOM 0 H ARG A 13 -1.481 15.560 -1.128 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.469 15.292 -3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.278 15.828 -2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.041 15.834 -4.331 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.755 17.561 -2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.107 18.070 -2.876 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.337 19.095 -4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.620 17.695 -5.380 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.746 16.865 -5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.850 19.186 -3.120 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.611 19.131 -2.988 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.007 16.800 -5.603 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.828 17.786 -4.388 1.00 0.00 H new ATOM 150 N VAL A 14 -0.935 12.789 -2.502 1.00 0.00 N ATOM 151 CA VAL A 14 -0.489 11.417 -2.720 1.00 0.00 C ATOM 152 C VAL A 14 -1.659 10.511 -3.085 1.00 0.00 C ATOM 153 O VAL A 14 -2.758 10.654 -2.550 1.00 0.00 O ATOM 154 CB VAL A 14 0.215 10.851 -1.472 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.903 9.535 -1.799 1.00 0.00 C ATOM 156 CG2 VAL A 14 1.209 11.860 -0.918 1.00 0.00 C ATOM 0 H VAL A 14 -1.041 13.047 -1.521 1.00 0.00 H new ATOM 0 HA VAL A 14 0.220 11.442 -3.548 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.537 10.659 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.395 9.150 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.163 8.814 -2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.645 9.697 -2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.697 11.444 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.959 12.085 -1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.684 12.775 -0.644 1.00 0.00 H new ATOM 166 N GLN A 15 -1.415 9.578 -4.000 1.00 0.00 N ATOM 167 CA GLN A 15 -2.449 8.648 -4.436 1.00 0.00 C ATOM 168 C GLN A 15 -1.936 7.212 -4.413 1.00 0.00 C ATOM 169 O GLN A 15 -0.738 6.969 -4.552 1.00 0.00 O ATOM 170 CB GLN A 15 -2.927 9.008 -5.844 1.00 0.00 C ATOM 171 CG GLN A 15 -3.379 10.453 -5.983 1.00 0.00 C ATOM 172 CD GLN A 15 -3.592 10.862 -7.427 1.00 0.00 C ATOM 173 OE1 GLN A 15 -3.054 11.871 -7.884 1.00 0.00 O ATOM 174 NE2 GLN A 15 -4.380 10.079 -8.154 1.00 0.00 N ATOM 0 H GLN A 15 -0.511 9.447 -4.453 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.287 8.726 -3.743 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.120 8.819 -6.552 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.752 8.350 -6.118 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.307 10.594 -5.429 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.634 11.108 -5.530 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.805 9.252 -7.734 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.560 10.304 -9.132 1.00 0.00 H new ATOM 183 N ALA A 16 -2.851 6.265 -4.235 1.00 0.00 N ATOM 184 CA ALA A 16 -2.490 4.853 -4.194 1.00 0.00 C ATOM 185 C ALA A 16 -3.498 4.007 -4.965 1.00 0.00 C ATOM 186 O ALA A 16 -4.677 3.959 -4.615 1.00 0.00 O ATOM 187 CB ALA A 16 -2.389 4.375 -2.753 1.00 0.00 C ATOM 0 H ALA A 16 -3.847 6.450 -4.117 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.517 4.738 -4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.119 3.319 -2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.626 4.952 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.350 4.511 -2.256 1.00 0.00 H new ATOM 193 N GLN A 17 -3.026 3.341 -6.013 1.00 0.00 N ATOM 194 CA GLN A 17 -3.887 2.498 -6.834 1.00 0.00 C ATOM 195 C GLN A 17 -3.147 1.245 -7.291 1.00 0.00 C ATOM 196 O GLN A 17 -1.931 1.263 -7.475 1.00 0.00 O ATOM 197 CB GLN A 17 -4.393 3.278 -8.048 1.00 0.00 C ATOM 198 CG GLN A 17 -3.317 3.556 -9.084 1.00 0.00 C ATOM 199 CD GLN A 17 -3.221 2.466 -10.134 1.00 0.00 C ATOM 200 OE1 GLN A 17 -4.042 2.396 -11.049 1.00 0.00 O ATOM 201 NE2 GLN A 17 -2.215 1.609 -10.007 1.00 0.00 N ATOM 0 H GLN A 17 -2.052 3.369 -6.314 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.739 2.193 -6.227 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.202 2.718 -8.518 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.815 4.225 -7.711 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.526 4.508 -9.572 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.354 3.659 -8.584 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.558 1.705 -9.233 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.099 0.855 -10.684 1.00 0.00 H new ATOM 210 N GLY A 18 -3.890 0.158 -7.474 1.00 0.00 N ATOM 211 CA GLY A 18 -3.287 -1.088 -7.909 1.00 0.00 C ATOM 212 C GLY A 18 -3.943 -2.301 -7.278 1.00 0.00 C ATOM 213 O GLY A 18 -4.928 -2.191 -6.548 1.00 0.00 O ATOM 0 H GLY A 18 -4.899 0.118 -7.329 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.359 -1.163 -8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.226 -1.081 -7.659 1.00 0.00 H new ATOM 217 N PRO A 19 -3.392 -3.491 -7.561 1.00 0.00 N ATOM 218 CA PRO A 19 -3.915 -4.752 -7.028 1.00 0.00 C ATOM 219 C PRO A 19 -3.678 -4.889 -5.527 1.00 0.00 C ATOM 220 O PRO A 19 -4.564 -5.312 -4.785 1.00 0.00 O ATOM 221 CB PRO A 19 -3.125 -5.816 -7.793 1.00 0.00 C ATOM 222 CG PRO A 19 -1.858 -5.137 -8.186 1.00 0.00 C ATOM 223 CD PRO A 19 -2.217 -3.696 -8.424 1.00 0.00 C ATOM 0 HA PRO A 19 -4.995 -4.831 -7.154 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.930 -6.689 -7.170 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.675 -6.165 -8.667 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.107 -5.228 -7.401 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.436 -5.588 -9.084 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.399 -3.028 -8.154 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.450 -3.508 -9.472 1.00 0.00 H new ATOM 231 N GLY A 20 -2.477 -4.528 -5.087 1.00 0.00 N ATOM 232 CA GLY A 20 -2.145 -4.618 -3.677 1.00 0.00 C ATOM 233 C GLY A 20 -3.111 -3.841 -2.804 1.00 0.00 C ATOM 234 O GLY A 20 -3.141 -4.023 -1.586 1.00 0.00 O ATOM 0 H GLY A 20 -1.728 -4.175 -5.682 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.146 -5.665 -3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.134 -4.241 -3.520 1.00 0.00 H new ATOM 238 N LEU A 21 -3.900 -2.972 -3.426 1.00 0.00 N ATOM 239 CA LEU A 21 -4.870 -2.163 -2.697 1.00 0.00 C ATOM 240 C LEU A 21 -6.290 -2.665 -2.940 1.00 0.00 C ATOM 241 O LEU A 21 -7.178 -2.477 -2.108 1.00 0.00 O ATOM 242 CB LEU A 21 -4.757 -0.696 -3.116 1.00 0.00 C ATOM 243 CG LEU A 21 -3.362 -0.078 -3.027 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.319 1.252 -3.762 1.00 0.00 C ATOM 245 CD2 LEU A 21 -2.949 0.100 -1.573 1.00 0.00 C ATOM 0 H LEU A 21 -3.887 -2.810 -4.433 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.651 -2.249 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.108 -0.605 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.433 -0.108 -2.495 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.654 -0.756 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.318 1.677 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.570 1.096 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.038 1.938 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.953 0.541 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.659 0.757 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.938 -0.870 -1.076 1.00 0.00 H new ATOM 257 N LYS A 22 -6.497 -3.307 -4.084 1.00 0.00 N ATOM 258 CA LYS A 22 -7.808 -3.840 -4.437 1.00 0.00 C ATOM 259 C LYS A 22 -7.999 -5.239 -3.859 1.00 0.00 C ATOM 260 O LYS A 22 -8.989 -5.509 -3.180 1.00 0.00 O ATOM 261 CB LYS A 22 -7.974 -3.878 -5.957 1.00 0.00 C ATOM 262 CG LYS A 22 -9.374 -4.257 -6.407 1.00 0.00 C ATOM 263 CD LYS A 22 -9.386 -4.739 -7.848 1.00 0.00 C ATOM 264 CE LYS A 22 -9.352 -3.574 -8.826 1.00 0.00 C ATOM 265 NZ LYS A 22 -10.672 -2.891 -8.920 1.00 0.00 N ATOM 0 H LYS A 22 -5.773 -3.471 -4.784 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.566 -3.183 -4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.723 -2.899 -6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.262 -4.590 -6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.766 -5.040 -5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.035 -3.397 -6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.528 -5.387 -8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.279 -5.338 -8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.594 -2.857 -8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.059 -3.936 -9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.648 -2.193 -9.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.414 -3.594 -9.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.878 -2.408 -8.022 1.00 0.00 H new ATOM 279 N GLU A 23 -7.045 -6.123 -4.132 1.00 0.00 N ATOM 280 CA GLU A 23 -7.110 -7.494 -3.638 1.00 0.00 C ATOM 281 C GLU A 23 -5.740 -8.163 -3.708 1.00 0.00 C ATOM 282 O GLU A 23 -4.907 -7.810 -4.543 1.00 0.00 O ATOM 283 CB GLU A 23 -8.127 -8.303 -4.445 1.00 0.00 C ATOM 284 CG GLU A 23 -7.790 -9.781 -4.541 1.00 0.00 C ATOM 285 CD GLU A 23 -8.870 -10.581 -5.244 1.00 0.00 C ATOM 286 OE1 GLU A 23 -9.847 -10.975 -4.573 1.00 0.00 O ATOM 287 OE2 GLU A 23 -8.738 -10.814 -6.463 1.00 0.00 O ATOM 0 H GLU A 23 -6.218 -5.915 -4.692 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.427 -7.463 -2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.111 -8.192 -3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.193 -7.888 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.848 -9.901 -5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.641 -10.182 -3.538 1.00 0.00 H new ATOM 294 N ALA A 24 -5.514 -9.130 -2.825 1.00 0.00 N ATOM 295 CA ALA A 24 -4.248 -9.850 -2.787 1.00 0.00 C ATOM 296 C ALA A 24 -4.454 -11.304 -2.378 1.00 0.00 C ATOM 297 O ALA A 24 -5.584 -11.743 -2.160 1.00 0.00 O ATOM 298 CB ALA A 24 -3.279 -9.164 -1.835 1.00 0.00 C ATOM 0 H ALA A 24 -6.192 -9.433 -2.126 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.823 -9.840 -3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.337 -9.713 -1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.098 -8.144 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.707 -9.144 -0.833 1.00 0.00 H new ATOM 304 N PHE A 25 -3.357 -12.047 -2.276 1.00 0.00 N ATOM 305 CA PHE A 25 -3.419 -13.453 -1.895 1.00 0.00 C ATOM 306 C PHE A 25 -2.348 -13.783 -0.860 1.00 0.00 C ATOM 307 O PHE A 25 -1.442 -12.987 -0.610 1.00 0.00 O ATOM 308 CB PHE A 25 -3.247 -14.345 -3.126 1.00 0.00 C ATOM 309 CG PHE A 25 -4.532 -14.615 -3.855 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.320 -15.704 -3.518 1.00 0.00 C ATOM 311 CD2 PHE A 25 -4.952 -13.780 -4.878 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.503 -15.955 -4.187 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.134 -14.026 -5.550 1.00 0.00 C ATOM 314 CZ PHE A 25 -6.910 -15.115 -5.205 1.00 0.00 C ATOM 0 H PHE A 25 -2.415 -11.699 -2.452 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.397 -13.641 -1.453 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.542 -13.873 -3.811 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.807 -15.294 -2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.006 -16.364 -2.723 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.349 -12.927 -5.153 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.108 -16.807 -3.914 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.451 -13.367 -6.345 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.833 -15.309 -5.730 1.00 0.00 H new ATOM 324 N THR A 26 -2.458 -14.964 -0.259 1.00 0.00 N ATOM 325 CA THR A 26 -1.501 -15.400 0.751 1.00 0.00 C ATOM 326 C THR A 26 -0.202 -15.872 0.109 1.00 0.00 C ATOM 327 O THR A 26 -0.215 -16.663 -0.833 1.00 0.00 O ATOM 328 CB THR A 26 -2.076 -16.538 1.615 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.431 -17.651 0.787 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.298 -16.066 2.389 1.00 0.00 C ATOM 0 H THR A 26 -3.200 -15.636 -0.454 1.00 0.00 H new ATOM 0 HA THR A 26 -1.297 -14.538 1.387 1.00 0.00 H new ATOM 0 HB THR A 26 -1.310 -16.845 2.327 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.796 -17.721 0.044 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.686 -16.887 2.992 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.019 -15.238 3.041 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.066 -15.734 1.690 1.00 0.00 H new ATOM 338 N ASN A 27 0.920 -15.380 0.625 1.00 0.00 N ATOM 339 CA ASN A 27 2.230 -15.752 0.102 1.00 0.00 C ATOM 340 C ASN A 27 2.353 -15.376 -1.372 1.00 0.00 C ATOM 341 O ASN A 27 3.127 -15.980 -2.115 1.00 0.00 O ATOM 342 CB ASN A 27 2.465 -17.254 0.278 1.00 0.00 C ATOM 343 CG ASN A 27 2.531 -17.662 1.737 1.00 0.00 C ATOM 344 OD1 ASN A 27 1.455 -17.405 2.472 1.00 0.00 O flip ATOM 345 ND2 ASN A 27 3.537 -18.200 2.198 1.00 0.00 N flip ATOM 0 H ASN A 27 0.948 -14.723 1.405 1.00 0.00 H new ATOM 0 HA ASN A 27 2.987 -15.205 0.663 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.663 -17.804 -0.214 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.395 -17.534 -0.217 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.341 -18.378 1.596 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.567 -18.468 3.182 1.00 0.00 H new ATOM 352 N LYS A 28 1.586 -14.375 -1.787 1.00 0.00 N ATOM 353 CA LYS A 28 1.609 -13.915 -3.171 1.00 0.00 C ATOM 354 C LYS A 28 2.109 -12.477 -3.258 1.00 0.00 C ATOM 355 O LYS A 28 1.827 -11.643 -2.397 1.00 0.00 O ATOM 356 CB LYS A 28 0.213 -14.020 -3.789 1.00 0.00 C ATOM 357 CG LYS A 28 -0.127 -15.413 -4.291 1.00 0.00 C ATOM 358 CD LYS A 28 -1.107 -15.363 -5.451 1.00 0.00 C ATOM 359 CE LYS A 28 -0.931 -16.554 -6.381 1.00 0.00 C ATOM 360 NZ LYS A 28 -2.127 -16.766 -7.242 1.00 0.00 N ATOM 0 H LYS A 28 0.940 -13.866 -1.185 1.00 0.00 H new ATOM 0 HA LYS A 28 2.294 -14.553 -3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.527 -13.720 -3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.138 -13.316 -4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.785 -15.920 -4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.554 -16.000 -3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.127 -15.348 -5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.963 -14.439 -6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.054 -16.398 -7.009 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.745 -17.451 -5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.975 -17.597 -7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.962 -16.923 -6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.280 -15.926 -7.836 1.00 0.00 H new ATOM 374 N PRO A 29 2.867 -12.176 -4.323 1.00 0.00 N ATOM 375 CA PRO A 29 3.419 -10.837 -4.549 1.00 0.00 C ATOM 376 C PRO A 29 2.342 -9.818 -4.905 1.00 0.00 C ATOM 377 O PRO A 29 1.699 -9.920 -5.948 1.00 0.00 O ATOM 378 CB PRO A 29 4.373 -11.041 -5.728 1.00 0.00 C ATOM 379 CG PRO A 29 3.838 -12.232 -6.446 1.00 0.00 C ATOM 380 CD PRO A 29 3.242 -13.120 -5.389 1.00 0.00 C ATOM 0 HA PRO A 29 3.902 -10.439 -3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.395 -10.165 -6.376 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.394 -11.210 -5.386 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.087 -11.940 -7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.630 -12.749 -6.989 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.377 -13.667 -5.764 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.959 -13.861 -5.036 1.00 0.00 H new ATOM 388 N ASN A 30 2.152 -8.835 -4.030 1.00 0.00 N ATOM 389 CA ASN A 30 1.152 -7.797 -4.253 1.00 0.00 C ATOM 390 C ASN A 30 1.787 -6.411 -4.209 1.00 0.00 C ATOM 391 O ASN A 30 2.368 -6.015 -3.198 1.00 0.00 O ATOM 392 CB ASN A 30 0.042 -7.896 -3.204 1.00 0.00 C ATOM 393 CG ASN A 30 -0.212 -9.324 -2.764 1.00 0.00 C ATOM 394 OD1 ASN A 30 -0.878 -10.091 -3.459 1.00 0.00 O ATOM 395 ND2 ASN A 30 0.319 -9.688 -1.602 1.00 0.00 N ATOM 0 H ASN A 30 2.677 -8.736 -3.161 1.00 0.00 H new ATOM 0 HA ASN A 30 0.722 -7.948 -5.243 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.311 -7.294 -2.336 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.877 -7.475 -3.611 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.181 -10.637 -1.253 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.864 -9.019 -1.059 1.00 0.00 H new ATOM 402 N VAL A 31 1.673 -5.678 -5.311 1.00 0.00 N ATOM 403 CA VAL A 31 2.234 -4.335 -5.398 1.00 0.00 C ATOM 404 C VAL A 31 1.179 -3.325 -5.834 1.00 0.00 C ATOM 405 O VAL A 31 0.065 -3.696 -6.203 1.00 0.00 O ATOM 406 CB VAL A 31 3.416 -4.284 -6.385 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.477 -5.304 -6.002 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.931 -4.515 -7.808 1.00 0.00 C ATOM 0 H VAL A 31 1.197 -5.991 -6.157 1.00 0.00 H new ATOM 0 HA VAL A 31 2.590 -4.076 -4.401 1.00 0.00 H new ATOM 0 HB VAL A 31 3.866 -3.292 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.304 -5.253 -6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.845 -5.087 -4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.044 -6.304 -6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.779 -4.476 -8.492 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.455 -5.493 -7.876 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.211 -3.742 -8.077 1.00 0.00 H new ATOM 418 N PHE A 32 1.537 -2.046 -5.787 1.00 0.00 N ATOM 419 CA PHE A 32 0.620 -0.981 -6.177 1.00 0.00 C ATOM 420 C PHE A 32 1.383 0.295 -6.519 1.00 0.00 C ATOM 421 O PHE A 32 2.519 0.489 -6.085 1.00 0.00 O ATOM 422 CB PHE A 32 -0.380 -0.704 -5.052 1.00 0.00 C ATOM 423 CG PHE A 32 0.264 -0.521 -3.708 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.969 0.635 -3.415 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.166 -1.505 -2.738 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.563 0.808 -2.179 1.00 0.00 C ATOM 427 CE2 PHE A 32 0.757 -1.338 -1.500 1.00 0.00 C ATOM 428 CZ PHE A 32 1.458 -0.181 -1.220 1.00 0.00 C ATOM 0 H PHE A 32 2.455 -1.722 -5.483 1.00 0.00 H new ATOM 0 HA PHE A 32 0.078 -1.308 -7.064 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.951 0.191 -5.297 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.090 -1.529 -4.996 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.056 1.411 -4.162 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.378 -2.413 -2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.108 1.715 -1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.671 -2.112 -0.752 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.923 -0.050 -0.254 1.00 0.00 H new ATOM 438 N THR A 33 0.751 1.164 -7.303 1.00 0.00 N ATOM 439 CA THR A 33 1.369 2.420 -7.706 1.00 0.00 C ATOM 440 C THR A 33 1.048 3.534 -6.716 1.00 0.00 C ATOM 441 O THR A 33 -0.097 3.692 -6.294 1.00 0.00 O ATOM 442 CB THR A 33 0.906 2.849 -9.111 1.00 0.00 C ATOM 443 OG1 THR A 33 1.201 1.818 -10.060 1.00 0.00 O ATOM 444 CG2 THR A 33 1.585 4.143 -9.534 1.00 0.00 C ATOM 0 H THR A 33 -0.189 1.020 -7.671 1.00 0.00 H new ATOM 0 HA THR A 33 2.446 2.251 -7.722 1.00 0.00 H new ATOM 0 HB THR A 33 -0.171 3.016 -9.079 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.902 2.098 -10.950 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.242 4.425 -10.529 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.335 4.933 -8.826 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.665 3.999 -9.550 1.00 0.00 H new ATOM 452 N VAL A 34 2.067 4.305 -6.349 1.00 0.00 N ATOM 453 CA VAL A 34 1.893 5.406 -5.409 1.00 0.00 C ATOM 454 C VAL A 34 2.428 6.711 -5.986 1.00 0.00 C ATOM 455 O VAL A 34 3.636 6.947 -6.001 1.00 0.00 O ATOM 456 CB VAL A 34 2.601 5.120 -4.072 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.448 6.299 -3.123 1.00 0.00 C ATOM 458 CG2 VAL A 34 2.058 3.845 -3.443 1.00 0.00 C ATOM 0 H VAL A 34 3.022 4.187 -6.688 1.00 0.00 H new ATOM 0 HA VAL A 34 0.822 5.503 -5.231 1.00 0.00 H new ATOM 0 HB VAL A 34 3.664 4.977 -4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.955 6.078 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.889 7.188 -3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.390 6.477 -2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.570 3.658 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.989 3.956 -3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.226 3.006 -4.118 1.00 0.00 H new ATOM 468 N VAL A 35 1.520 7.558 -6.462 1.00 0.00 N ATOM 469 CA VAL A 35 1.901 8.842 -7.039 1.00 0.00 C ATOM 470 C VAL A 35 2.186 9.871 -5.951 1.00 0.00 C ATOM 471 O VAL A 35 1.293 10.258 -5.196 1.00 0.00 O ATOM 472 CB VAL A 35 0.801 9.386 -7.970 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.200 10.742 -8.532 1.00 0.00 C ATOM 474 CG2 VAL A 35 0.514 8.398 -9.091 1.00 0.00 C ATOM 0 H VAL A 35 0.516 7.378 -6.459 1.00 0.00 H new ATOM 0 HA VAL A 35 2.808 8.672 -7.620 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.112 9.515 -7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.411 11.111 -9.187 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.350 11.446 -7.713 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.126 10.643 -9.099 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.266 8.799 -9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.421 8.235 -9.673 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.181 7.452 -8.665 1.00 0.00 H new ATOM 484 N THR A 36 3.438 10.313 -5.876 1.00 0.00 N ATOM 485 CA THR A 36 3.842 11.297 -4.880 1.00 0.00 C ATOM 486 C THR A 36 4.609 12.446 -5.523 1.00 0.00 C ATOM 487 O THR A 36 5.595 12.933 -4.969 1.00 0.00 O ATOM 488 CB THR A 36 4.717 10.660 -3.783 1.00 0.00 C ATOM 489 OG1 THR A 36 5.958 10.217 -4.343 1.00 0.00 O ATOM 490 CG2 THR A 36 4.000 9.486 -3.133 1.00 0.00 C ATOM 0 H THR A 36 4.189 10.005 -6.493 1.00 0.00 H new ATOM 0 HA THR A 36 2.928 11.682 -4.427 1.00 0.00 H new ATOM 0 HB THR A 36 4.912 11.414 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.509 9.815 -3.640 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.637 9.052 -2.362 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.070 9.832 -2.683 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.779 8.731 -3.888 1.00 0.00 H new ATOM 498 N ARG A 37 4.151 12.876 -6.694 1.00 0.00 N ATOM 499 CA ARG A 37 4.795 13.969 -7.412 1.00 0.00 C ATOM 500 C ARG A 37 4.302 15.320 -6.903 1.00 0.00 C ATOM 501 O ARG A 37 3.174 15.725 -7.181 1.00 0.00 O ATOM 502 CB ARG A 37 4.527 13.848 -8.913 1.00 0.00 C ATOM 503 CG ARG A 37 3.153 13.290 -9.244 1.00 0.00 C ATOM 504 CD ARG A 37 2.665 13.776 -10.600 1.00 0.00 C ATOM 505 NE ARG A 37 2.723 15.231 -10.712 1.00 0.00 N ATOM 506 CZ ARG A 37 2.640 15.883 -11.867 1.00 0.00 C ATOM 507 NH1 ARG A 37 2.495 15.212 -13.001 1.00 0.00 N ATOM 508 NH2 ARG A 37 2.700 17.208 -11.888 1.00 0.00 N ATOM 0 H ARG A 37 3.336 12.484 -7.166 1.00 0.00 H new ATOM 0 HA ARG A 37 5.869 13.904 -7.235 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.631 14.831 -9.372 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.287 13.206 -9.358 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.191 12.201 -9.239 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.443 13.588 -8.473 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.272 13.327 -11.386 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.640 13.441 -10.758 1.00 0.00 H new ATOM 0 HE ARG A 37 2.833 15.776 -9.857 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.447 14.193 -12.988 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.431 15.714 -13.886 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.810 17.727 -11.017 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.636 17.707 -12.775 1.00 0.00 H new ATOM 522 N GLY A 38 5.155 16.013 -6.155 1.00 0.00 N ATOM 523 CA GLY A 38 4.788 17.310 -5.619 1.00 0.00 C ATOM 524 C GLY A 38 3.971 17.201 -4.347 1.00 0.00 C ATOM 525 O GLY A 38 3.291 18.149 -3.955 1.00 0.00 O ATOM 0 H GLY A 38 6.094 15.699 -5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.692 17.886 -5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.218 17.861 -6.367 1.00 0.00 H new ATOM 529 N ALA A 39 4.036 16.042 -3.701 1.00 0.00 N ATOM 530 CA ALA A 39 3.296 15.812 -2.466 1.00 0.00 C ATOM 531 C ALA A 39 3.782 16.738 -1.355 1.00 0.00 C ATOM 532 O ALA A 39 2.985 17.395 -0.688 1.00 0.00 O ATOM 533 CB ALA A 39 3.423 14.358 -2.037 1.00 0.00 C ATOM 0 H ALA A 39 4.594 15.247 -4.012 1.00 0.00 H new ATOM 0 HA ALA A 39 2.245 16.033 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.866 14.201 -1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.021 13.712 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.473 14.118 -1.872 1.00 0.00 H new ATOM 539 N GLY A 40 5.097 16.784 -1.162 1.00 0.00 N ATOM 540 CA GLY A 40 5.666 17.631 -0.131 1.00 0.00 C ATOM 541 C GLY A 40 7.142 17.363 0.091 1.00 0.00 C ATOM 542 O GLY A 40 7.831 16.870 -0.802 1.00 0.00 O ATOM 0 H GLY A 40 5.778 16.250 -1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.527 18.676 -0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.127 17.473 0.803 1.00 0.00 H new ATOM 546 N ILE A 41 7.628 17.690 1.284 1.00 0.00 N ATOM 547 CA ILE A 41 9.031 17.482 1.619 1.00 0.00 C ATOM 548 C ILE A 41 9.175 16.725 2.935 1.00 0.00 C ATOM 549 O ILE A 41 9.206 17.325 4.008 1.00 0.00 O ATOM 550 CB ILE A 41 9.789 18.818 1.723 1.00 0.00 C ATOM 551 CG1 ILE A 41 9.574 19.652 0.458 1.00 0.00 C ATOM 552 CG2 ILE A 41 11.272 18.569 1.953 1.00 0.00 C ATOM 553 CD1 ILE A 41 10.205 19.049 -0.778 1.00 0.00 C ATOM 0 H ILE A 41 7.071 18.100 2.034 1.00 0.00 H new ATOM 0 HA ILE A 41 9.464 16.890 0.812 1.00 0.00 H new ATOM 0 HB ILE A 41 9.397 19.375 2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.504 19.771 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.985 20.649 0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.794 19.523 2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.408 18.011 2.879 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.678 17.995 1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.013 19.693 -1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.281 18.955 -0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.777 18.063 -0.961 1.00 0.00 H new ATOM 565 N GLY A 42 9.266 15.401 2.843 1.00 0.00 N ATOM 566 CA GLY A 42 9.408 14.583 4.033 1.00 0.00 C ATOM 567 C GLY A 42 9.791 13.152 3.711 1.00 0.00 C ATOM 568 O GLY A 42 10.842 12.901 3.124 1.00 0.00 O ATOM 0 H GLY A 42 9.244 14.881 1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.166 15.021 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.470 14.589 4.588 1.00 0.00 H new ATOM 572 N GLY A 43 8.935 12.211 4.098 1.00 0.00 N ATOM 573 CA GLY A 43 9.207 10.809 3.840 1.00 0.00 C ATOM 574 C GLY A 43 7.941 9.990 3.688 1.00 0.00 C ATOM 575 O GLY A 43 6.914 10.303 4.293 1.00 0.00 O ATOM 0 H GLY A 43 8.058 12.395 4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.805 10.719 2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.803 10.402 4.656 1.00 0.00 H new ATOM 579 N LEU A 44 8.011 8.940 2.878 1.00 0.00 N ATOM 580 CA LEU A 44 6.860 8.074 2.647 1.00 0.00 C ATOM 581 C LEU A 44 6.966 6.795 3.472 1.00 0.00 C ATOM 582 O LEU A 44 7.955 6.069 3.386 1.00 0.00 O ATOM 583 CB LEU A 44 6.747 7.728 1.161 1.00 0.00 C ATOM 584 CG LEU A 44 5.650 6.731 0.786 1.00 0.00 C ATOM 585 CD1 LEU A 44 4.276 7.317 1.072 1.00 0.00 C ATOM 586 CD2 LEU A 44 5.768 6.335 -0.679 1.00 0.00 C ATOM 0 H LEU A 44 8.852 8.667 2.370 1.00 0.00 H new ATOM 0 HA LEU A 44 5.964 8.612 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.577 8.650 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.704 7.327 0.828 1.00 0.00 H new ATOM 0 HG LEU A 44 5.775 5.836 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.508 6.593 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.194 7.550 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.140 8.228 0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.980 5.625 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.669 7.222 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.740 5.874 -0.854 1.00 0.00 H new ATOM 598 N GLY A 45 5.938 6.526 4.272 1.00 0.00 N ATOM 599 CA GLY A 45 5.935 5.334 5.100 1.00 0.00 C ATOM 600 C GLY A 45 4.773 4.413 4.784 1.00 0.00 C ATOM 601 O GLY A 45 3.628 4.707 5.128 1.00 0.00 O ATOM 0 H GLY A 45 5.108 7.112 4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.871 4.794 4.959 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.890 5.624 6.150 1.00 0.00 H new ATOM 605 N ILE A 46 5.068 3.296 4.127 1.00 0.00 N ATOM 606 CA ILE A 46 4.039 2.329 3.765 1.00 0.00 C ATOM 607 C ILE A 46 4.184 1.043 4.572 1.00 0.00 C ATOM 608 O ILE A 46 5.256 0.438 4.610 1.00 0.00 O ATOM 609 CB ILE A 46 4.089 1.989 2.264 1.00 0.00 C ATOM 610 CG1 ILE A 46 3.864 3.249 1.425 1.00 0.00 C ATOM 611 CG2 ILE A 46 3.051 0.929 1.926 1.00 0.00 C ATOM 612 CD1 ILE A 46 4.077 3.034 -0.057 1.00 0.00 C ATOM 0 H ILE A 46 6.011 3.039 3.835 1.00 0.00 H new ATOM 0 HA ILE A 46 3.078 2.791 3.992 1.00 0.00 H new ATOM 0 HB ILE A 46 5.076 1.591 2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.848 3.609 1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.539 4.032 1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.099 0.699 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.253 0.026 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.057 1.302 2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.900 3.969 -0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.101 2.704 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.384 2.274 -0.418 1.00 0.00 H new ATOM 624 N THR A 47 3.097 0.628 5.215 1.00 0.00 N ATOM 625 CA THR A 47 3.103 -0.586 6.021 1.00 0.00 C ATOM 626 C THR A 47 1.802 -1.363 5.853 1.00 0.00 C ATOM 627 O THR A 47 0.787 -0.810 5.430 1.00 0.00 O ATOM 628 CB THR A 47 3.309 -0.269 7.514 1.00 0.00 C ATOM 629 OG1 THR A 47 2.613 0.933 7.860 1.00 0.00 O ATOM 630 CG2 THR A 47 4.788 -0.116 7.835 1.00 0.00 C ATOM 0 H THR A 47 2.201 1.115 5.193 1.00 0.00 H new ATOM 0 HA THR A 47 3.936 -1.195 5.669 1.00 0.00 H new ATOM 0 HB THR A 47 2.911 -1.099 8.098 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.748 1.127 8.811 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.909 0.108 8.895 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.310 -1.043 7.598 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.207 0.698 7.243 1.00 0.00 H new ATOM 638 N VAL A 48 1.839 -2.649 6.188 1.00 0.00 N ATOM 639 CA VAL A 48 0.662 -3.502 6.076 1.00 0.00 C ATOM 640 C VAL A 48 0.361 -4.199 7.398 1.00 0.00 C ATOM 641 O VAL A 48 1.219 -4.876 7.963 1.00 0.00 O ATOM 642 CB VAL A 48 0.842 -4.566 4.976 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.281 -5.590 5.035 1.00 0.00 C ATOM 644 CG2 VAL A 48 0.904 -3.909 3.606 1.00 0.00 C ATOM 0 H VAL A 48 2.671 -3.123 6.539 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.174 -2.855 5.811 1.00 0.00 H new ATOM 0 HB VAL A 48 1.785 -5.086 5.148 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.137 -6.333 4.251 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.274 -6.082 6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.238 -5.089 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.031 -4.675 2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.021 -3.363 3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.746 -3.218 3.572 1.00 0.00 H new ATOM 654 N GLU A 49 -0.865 -4.030 7.884 1.00 0.00 N ATOM 655 CA GLU A 49 -1.279 -4.644 9.141 1.00 0.00 C ATOM 656 C GLU A 49 -2.347 -5.707 8.901 1.00 0.00 C ATOM 657 O GLU A 49 -3.210 -5.552 8.038 1.00 0.00 O ATOM 658 CB GLU A 49 -1.810 -3.579 10.103 1.00 0.00 C ATOM 659 CG GLU A 49 -0.715 -2.787 10.799 1.00 0.00 C ATOM 660 CD GLU A 49 -1.248 -1.917 11.921 1.00 0.00 C ATOM 661 OE1 GLU A 49 -2.087 -2.409 12.705 1.00 0.00 O ATOM 662 OE2 GLU A 49 -0.826 -0.746 12.015 1.00 0.00 O ATOM 0 H GLU A 49 -1.588 -3.474 7.427 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.408 -5.124 9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.450 -2.890 9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.433 -4.060 10.856 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.028 -3.476 11.200 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.205 -2.159 10.068 1.00 0.00 H new ATOM 669 N GLY A 50 -2.282 -6.788 9.673 1.00 0.00 N ATOM 670 CA GLY A 50 -3.248 -7.861 9.529 1.00 0.00 C ATOM 671 C GLY A 50 -3.037 -8.970 10.541 1.00 0.00 C ATOM 672 O GLY A 50 -2.300 -8.819 11.515 1.00 0.00 O ATOM 0 H GLY A 50 -1.578 -6.939 10.395 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.254 -7.457 9.641 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.181 -8.274 8.523 1.00 0.00 H new ATOM 676 N PRO A 51 -3.696 -10.116 10.314 1.00 0.00 N ATOM 677 CA PRO A 51 -3.594 -11.277 11.204 1.00 0.00 C ATOM 678 C PRO A 51 -2.222 -11.939 11.138 1.00 0.00 C ATOM 679 O PRO A 51 -1.950 -12.898 11.860 1.00 0.00 O ATOM 680 CB PRO A 51 -4.672 -12.226 10.673 1.00 0.00 C ATOM 681 CG PRO A 51 -4.837 -11.849 9.242 1.00 0.00 C ATOM 682 CD PRO A 51 -4.592 -10.367 9.172 1.00 0.00 C ATOM 0 HA PRO A 51 -3.726 -11.002 12.250 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.368 -13.268 10.775 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.606 -12.111 11.223 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.132 -12.391 8.612 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.837 -12.096 8.886 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.130 -10.080 8.228 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.520 -9.802 9.257 1.00 0.00 H new ATOM 690 N SER A 52 -1.362 -11.421 10.267 1.00 0.00 N ATOM 691 CA SER A 52 -0.018 -11.965 10.105 1.00 0.00 C ATOM 692 C SER A 52 0.915 -10.930 9.485 1.00 0.00 C ATOM 693 O SER A 52 0.490 -10.091 8.691 1.00 0.00 O ATOM 694 CB SER A 52 -0.056 -13.221 9.233 1.00 0.00 C ATOM 695 OG SER A 52 -0.223 -12.889 7.865 1.00 0.00 O ATOM 0 H SER A 52 -1.571 -10.626 9.663 1.00 0.00 H new ATOM 0 HA SER A 52 0.363 -12.228 11.092 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.867 -13.786 9.363 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.873 -13.867 9.556 1.00 0.00 H new ATOM 0 HG SER A 52 -1.151 -12.616 7.706 1.00 0.00 H new ATOM 701 N GLU A 53 2.191 -10.996 9.854 1.00 0.00 N ATOM 702 CA GLU A 53 3.185 -10.064 9.335 1.00 0.00 C ATOM 703 C GLU A 53 3.472 -10.339 7.862 1.00 0.00 C ATOM 704 O GLU A 53 3.727 -11.478 7.470 1.00 0.00 O ATOM 705 CB GLU A 53 4.479 -10.161 10.145 1.00 0.00 C ATOM 706 CG GLU A 53 5.558 -9.193 9.687 1.00 0.00 C ATOM 707 CD GLU A 53 6.928 -9.546 10.233 1.00 0.00 C ATOM 708 OE1 GLU A 53 7.164 -9.311 11.437 1.00 0.00 O ATOM 709 OE2 GLU A 53 7.763 -10.055 9.458 1.00 0.00 O ATOM 0 H GLU A 53 2.560 -11.685 10.510 1.00 0.00 H new ATOM 0 HA GLU A 53 2.782 -9.055 9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.255 -9.972 11.195 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.864 -11.179 10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.596 -9.186 8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.294 -8.184 10.003 1.00 0.00 H new ATOM 716 N SER A 54 3.427 -9.287 7.050 1.00 0.00 N ATOM 717 CA SER A 54 3.678 -9.415 5.619 1.00 0.00 C ATOM 718 C SER A 54 5.041 -8.836 5.252 1.00 0.00 C ATOM 719 O SER A 54 5.485 -7.845 5.834 1.00 0.00 O ATOM 720 CB SER A 54 2.579 -8.708 4.822 1.00 0.00 C ATOM 721 OG SER A 54 1.293 -9.093 5.275 1.00 0.00 O ATOM 0 H SER A 54 3.219 -8.337 7.359 1.00 0.00 H new ATOM 0 HA SER A 54 3.674 -10.476 5.368 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.693 -7.628 4.917 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.682 -8.947 3.764 1.00 0.00 H new ATOM 0 HG SER A 54 0.608 -8.626 4.751 1.00 0.00 H new ATOM 727 N LYS A 55 5.701 -9.460 4.283 1.00 0.00 N ATOM 728 CA LYS A 55 7.013 -9.008 3.835 1.00 0.00 C ATOM 729 C LYS A 55 6.887 -7.797 2.918 1.00 0.00 C ATOM 730 O LYS A 55 6.675 -7.938 1.713 1.00 0.00 O ATOM 731 CB LYS A 55 7.743 -10.139 3.107 1.00 0.00 C ATOM 732 CG LYS A 55 8.579 -11.014 4.026 1.00 0.00 C ATOM 733 CD LYS A 55 9.617 -11.806 3.249 1.00 0.00 C ATOM 734 CE LYS A 55 9.924 -13.134 3.924 1.00 0.00 C ATOM 735 NZ LYS A 55 11.003 -13.002 4.943 1.00 0.00 N ATOM 0 H LYS A 55 5.348 -10.282 3.792 1.00 0.00 H new ATOM 0 HA LYS A 55 7.589 -8.718 4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.010 -10.762 2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.389 -9.710 2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.077 -10.391 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.928 -11.700 4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.256 -11.986 2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.532 -11.221 3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.021 -13.517 4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.223 -13.864 3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.183 -13.928 5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.872 -12.660 4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.708 -12.325 5.675 1.00 0.00 H new ATOM 749 N ILE A 56 7.019 -6.607 3.494 1.00 0.00 N ATOM 750 CA ILE A 56 6.923 -5.371 2.727 1.00 0.00 C ATOM 751 C ILE A 56 8.292 -4.930 2.221 1.00 0.00 C ATOM 752 O ILE A 56 9.306 -5.137 2.886 1.00 0.00 O ATOM 753 CB ILE A 56 6.307 -4.235 3.565 1.00 0.00 C ATOM 754 CG1 ILE A 56 4.805 -4.464 3.749 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.566 -2.890 2.904 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.213 -3.687 4.903 1.00 0.00 C ATOM 0 H ILE A 56 7.193 -6.472 4.490 1.00 0.00 H new ATOM 0 HA ILE A 56 6.273 -5.577 1.876 1.00 0.00 H new ATOM 0 HB ILE A 56 6.778 -4.232 4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.288 -4.186 2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.624 -5.527 3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.125 -2.097 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.640 -2.727 2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.119 -2.881 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.146 -3.898 4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.704 -3.982 5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.362 -2.620 4.738 1.00 0.00 H new ATOM 768 N ASN A 57 8.312 -4.319 1.041 1.00 0.00 N ATOM 769 CA ASN A 57 9.557 -3.847 0.446 1.00 0.00 C ATOM 770 C ASN A 57 9.319 -2.593 -0.390 1.00 0.00 C ATOM 771 O ASN A 57 8.689 -2.649 -1.446 1.00 0.00 O ATOM 772 CB ASN A 57 10.179 -4.942 -0.423 1.00 0.00 C ATOM 773 CG ASN A 57 10.765 -6.071 0.402 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.722 -5.875 1.151 1.00 0.00 O ATOM 775 ND2 ASN A 57 10.193 -7.262 0.267 1.00 0.00 N ATOM 0 H ASN A 57 7.481 -4.139 0.478 1.00 0.00 H new ATOM 0 HA ASN A 57 10.245 -3.599 1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.421 -5.343 -1.096 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.961 -4.507 -1.046 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.545 -8.060 0.796 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.401 -7.379 -0.366 1.00 0.00 H new ATOM 782 N CYS A 58 9.827 -1.464 0.091 1.00 0.00 N ATOM 783 CA CYS A 58 9.670 -0.195 -0.612 1.00 0.00 C ATOM 784 C CYS A 58 10.717 -0.049 -1.711 1.00 0.00 C ATOM 785 O CYS A 58 11.897 -0.329 -1.499 1.00 0.00 O ATOM 786 CB CYS A 58 9.778 0.972 0.371 1.00 0.00 C ATOM 787 SG CYS A 58 11.407 1.146 1.135 1.00 0.00 S ATOM 0 H CYS A 58 10.351 -1.401 0.964 1.00 0.00 H new ATOM 0 HA CYS A 58 8.682 -0.182 -1.073 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.533 1.897 -0.151 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.033 0.842 1.156 1.00 0.00 H new ATOM 0 HG CYS A 58 12.287 0.496 0.433 1.00 0.00 H new ATOM 793 N ARG A 59 10.277 0.390 -2.886 1.00 0.00 N ATOM 794 CA ARG A 59 11.176 0.571 -4.019 1.00 0.00 C ATOM 795 C ARG A 59 10.943 1.923 -4.688 1.00 0.00 C ATOM 796 O ARG A 59 9.859 2.497 -4.588 1.00 0.00 O ATOM 797 CB ARG A 59 10.980 -0.554 -5.037 1.00 0.00 C ATOM 798 CG ARG A 59 11.828 -1.784 -4.755 1.00 0.00 C ATOM 799 CD ARG A 59 13.283 -1.557 -5.135 1.00 0.00 C ATOM 800 NE ARG A 59 14.118 -2.712 -4.815 1.00 0.00 N ATOM 801 CZ ARG A 59 14.079 -3.856 -5.488 1.00 0.00 C ATOM 802 NH1 ARG A 59 13.251 -3.998 -6.513 1.00 0.00 N ATOM 803 NH2 ARG A 59 14.871 -4.861 -5.137 1.00 0.00 N ATOM 0 H ARG A 59 9.304 0.627 -3.078 1.00 0.00 H new ATOM 0 HA ARG A 59 12.200 0.541 -3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.929 -0.843 -5.049 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.219 -0.178 -6.032 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.763 -2.038 -3.697 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.434 -2.634 -5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.350 -1.345 -6.202 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.662 -0.679 -4.611 1.00 0.00 H new ATOM 0 HE ARG A 59 14.767 -2.636 -4.032 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.641 -3.227 -6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.223 -4.878 -7.028 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.511 -4.755 -4.350 1.00 0.00 H new ATOM 0 HH22 ARG A 59 14.840 -5.739 -5.655 1.00 0.00 H new ATOM 817 N ASP A 60 11.967 2.424 -5.369 1.00 0.00 N ATOM 818 CA ASP A 60 11.874 3.708 -6.055 1.00 0.00 C ATOM 819 C ASP A 60 11.958 3.523 -7.567 1.00 0.00 C ATOM 820 O ASP A 60 12.762 2.735 -8.062 1.00 0.00 O ATOM 821 CB ASP A 60 12.986 4.645 -5.580 1.00 0.00 C ATOM 822 CG ASP A 60 12.818 5.055 -4.130 1.00 0.00 C ATOM 823 OD1 ASP A 60 13.143 4.239 -3.242 1.00 0.00 O ATOM 824 OD2 ASP A 60 12.363 6.191 -3.883 1.00 0.00 O ATOM 0 H ASP A 60 12.871 1.961 -5.461 1.00 0.00 H new ATOM 0 HA ASP A 60 10.908 4.152 -5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.950 4.153 -5.706 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.999 5.536 -6.207 1.00 0.00 H new ATOM 829 N ASN A 61 11.122 4.256 -8.295 1.00 0.00 N ATOM 830 CA ASN A 61 11.100 4.172 -9.750 1.00 0.00 C ATOM 831 C ASN A 61 11.660 5.445 -10.377 1.00 0.00 C ATOM 832 O ASN A 61 11.444 6.547 -9.871 1.00 0.00 O ATOM 833 CB ASN A 61 9.673 3.930 -10.247 1.00 0.00 C ATOM 834 CG ASN A 61 8.968 2.836 -9.469 1.00 0.00 C ATOM 835 OD1 ASN A 61 9.427 1.695 -9.425 1.00 0.00 O ATOM 836 ND2 ASN A 61 7.845 3.181 -8.849 1.00 0.00 N ATOM 0 H ASN A 61 10.451 4.915 -7.901 1.00 0.00 H new ATOM 0 HA ASN A 61 11.729 3.334 -10.050 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.102 4.855 -10.167 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.700 3.662 -11.303 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.327 2.488 -8.309 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.501 4.139 -8.913 1.00 0.00 H new ATOM 843 N LYS A 62 12.379 5.287 -11.483 1.00 0.00 N ATOM 844 CA LYS A 62 12.969 6.423 -12.181 1.00 0.00 C ATOM 845 C LYS A 62 11.958 7.066 -13.125 1.00 0.00 C ATOM 846 O LYS A 62 12.297 7.452 -14.244 1.00 0.00 O ATOM 847 CB LYS A 62 14.205 5.979 -12.967 1.00 0.00 C ATOM 848 CG LYS A 62 15.460 5.874 -12.118 1.00 0.00 C ATOM 849 CD LYS A 62 16.008 7.246 -11.761 1.00 0.00 C ATOM 850 CE LYS A 62 17.102 7.152 -10.708 1.00 0.00 C ATOM 851 NZ LYS A 62 18.434 6.879 -11.315 1.00 0.00 N ATOM 0 H LYS A 62 12.567 4.383 -11.916 1.00 0.00 H new ATOM 0 HA LYS A 62 13.265 7.161 -11.436 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.005 5.011 -13.426 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.383 6.686 -13.778 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.238 5.321 -11.205 1.00 0.00 H new ATOM 0 HG3 LYS A 62 16.219 5.307 -12.657 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.404 7.725 -12.656 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.200 7.877 -11.392 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.144 8.084 -10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.857 6.361 -9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.152 6.822 -10.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.402 5.977 -11.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.680 7.647 -11.972 1.00 0.00 H new ATOM 865 N ASP A 63 10.717 7.179 -12.666 1.00 0.00 N ATOM 866 CA ASP A 63 9.657 7.778 -13.469 1.00 0.00 C ATOM 867 C ASP A 63 9.006 8.943 -12.728 1.00 0.00 C ATOM 868 O ASP A 63 8.576 9.919 -13.341 1.00 0.00 O ATOM 869 CB ASP A 63 8.601 6.729 -13.823 1.00 0.00 C ATOM 870 CG ASP A 63 7.365 7.341 -14.453 1.00 0.00 C ATOM 871 OD1 ASP A 63 7.471 7.863 -15.583 1.00 0.00 O ATOM 872 OD2 ASP A 63 6.292 7.298 -13.816 1.00 0.00 O ATOM 0 H ASP A 63 10.420 6.864 -11.742 1.00 0.00 H new ATOM 0 HA ASP A 63 10.102 8.159 -14.388 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.033 6.001 -14.510 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.315 6.187 -12.922 1.00 0.00 H new ATOM 877 N GLY A 64 8.937 8.831 -11.405 1.00 0.00 N ATOM 878 CA GLY A 64 8.337 9.881 -10.603 1.00 0.00 C ATOM 879 C GLY A 64 7.309 9.347 -9.625 1.00 0.00 C ATOM 880 O GLY A 64 6.677 10.114 -8.898 1.00 0.00 O ATOM 0 H GLY A 64 9.286 8.032 -10.875 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.118 10.406 -10.054 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.864 10.611 -11.260 1.00 0.00 H new ATOM 884 N SER A 65 7.140 8.029 -9.607 1.00 0.00 N ATOM 885 CA SER A 65 6.178 7.394 -8.714 1.00 0.00 C ATOM 886 C SER A 65 6.876 6.428 -7.762 1.00 0.00 C ATOM 887 O SER A 65 8.044 6.089 -7.950 1.00 0.00 O ATOM 888 CB SER A 65 5.114 6.650 -9.524 1.00 0.00 C ATOM 889 OG SER A 65 5.707 5.844 -10.527 1.00 0.00 O ATOM 0 H SER A 65 7.657 7.380 -10.201 1.00 0.00 H new ATOM 0 HA SER A 65 5.697 8.174 -8.124 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.516 6.027 -8.859 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.435 7.368 -9.984 1.00 0.00 H new ATOM 0 HG SER A 65 5.006 5.378 -11.029 1.00 0.00 H new ATOM 895 N CYS A 66 6.151 5.989 -6.739 1.00 0.00 N ATOM 896 CA CYS A 66 6.699 5.062 -5.755 1.00 0.00 C ATOM 897 C CYS A 66 5.990 3.714 -5.824 1.00 0.00 C ATOM 898 O CYS A 66 4.795 3.643 -6.112 1.00 0.00 O ATOM 899 CB CYS A 66 6.574 5.647 -4.347 1.00 0.00 C ATOM 900 SG CYS A 66 7.929 6.749 -3.882 1.00 0.00 S ATOM 0 H CYS A 66 5.182 6.260 -6.569 1.00 0.00 H new ATOM 0 HA CYS A 66 7.754 4.909 -5.984 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.634 6.194 -4.275 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.523 4.829 -3.629 1.00 0.00 H new ATOM 0 HG CYS A 66 7.732 7.194 -2.677 1.00 0.00 H new ATOM 906 N SER A 67 6.735 2.645 -5.559 1.00 0.00 N ATOM 907 CA SER A 67 6.179 1.298 -5.596 1.00 0.00 C ATOM 908 C SER A 67 6.411 0.577 -4.272 1.00 0.00 C ATOM 909 O SER A 67 7.479 0.689 -3.671 1.00 0.00 O ATOM 910 CB SER A 67 6.802 0.497 -6.741 1.00 0.00 C ATOM 911 OG SER A 67 6.092 0.700 -7.951 1.00 0.00 O ATOM 0 H SER A 67 7.725 2.686 -5.316 1.00 0.00 H new ATOM 0 HA SER A 67 5.105 1.380 -5.762 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.843 0.793 -6.872 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.802 -0.564 -6.489 1.00 0.00 H new ATOM 0 HG SER A 67 6.511 0.179 -8.667 1.00 0.00 H new ATOM 917 N ALA A 68 5.402 -0.162 -3.822 1.00 0.00 N ATOM 918 CA ALA A 68 5.496 -0.903 -2.570 1.00 0.00 C ATOM 919 C ALA A 68 4.940 -2.314 -2.725 1.00 0.00 C ATOM 920 O ALA A 68 3.775 -2.497 -3.077 1.00 0.00 O ATOM 921 CB ALA A 68 4.761 -0.162 -1.463 1.00 0.00 C ATOM 0 H ALA A 68 4.510 -0.263 -4.306 1.00 0.00 H new ATOM 0 HA ALA A 68 6.549 -0.984 -2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.839 -0.726 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.206 0.824 -1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.711 -0.052 -1.734 1.00 0.00 H new ATOM 927 N GLU A 69 5.780 -3.309 -2.459 1.00 0.00 N ATOM 928 CA GLU A 69 5.372 -4.704 -2.570 1.00 0.00 C ATOM 929 C GLU A 69 5.253 -5.348 -1.192 1.00 0.00 C ATOM 930 O GLU A 69 6.062 -5.086 -0.301 1.00 0.00 O ATOM 931 CB GLU A 69 6.372 -5.485 -3.425 1.00 0.00 C ATOM 932 CG GLU A 69 7.734 -5.648 -2.772 1.00 0.00 C ATOM 933 CD GLU A 69 8.617 -6.639 -3.505 1.00 0.00 C ATOM 934 OE1 GLU A 69 8.323 -6.938 -4.681 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.602 -7.115 -2.903 1.00 0.00 O ATOM 0 H GLU A 69 6.747 -3.175 -2.165 1.00 0.00 H new ATOM 0 HA GLU A 69 4.394 -4.732 -3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.961 -6.471 -3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.495 -4.976 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.233 -4.680 -2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.602 -5.978 -1.742 1.00 0.00 H new ATOM 942 N TYR A 70 4.240 -6.190 -1.024 1.00 0.00 N ATOM 943 CA TYR A 70 4.012 -6.869 0.246 1.00 0.00 C ATOM 944 C TYR A 70 3.556 -8.308 0.021 1.00 0.00 C ATOM 945 O TYR A 70 2.905 -8.615 -0.978 1.00 0.00 O ATOM 946 CB TYR A 70 2.968 -6.115 1.072 1.00 0.00 C ATOM 947 CG TYR A 70 1.575 -6.175 0.487 1.00 0.00 C ATOM 948 CD1 TYR A 70 0.724 -7.234 0.776 1.00 0.00 C ATOM 949 CD2 TYR A 70 1.110 -5.171 -0.354 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.549 -7.293 0.243 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.162 -5.220 -0.890 1.00 0.00 C ATOM 952 CZ TYR A 70 -0.988 -6.284 -0.589 1.00 0.00 C ATOM 953 OH TYR A 70 -2.256 -6.337 -1.120 1.00 0.00 O ATOM 0 H TYR A 70 3.563 -6.419 -1.752 1.00 0.00 H new ATOM 0 HA TYR A 70 4.955 -6.887 0.793 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.948 -6.528 2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.271 -5.072 1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.063 -8.025 1.429 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.755 -4.338 -0.593 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.197 -8.125 0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.508 -4.431 -1.541 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.687 -5.462 -1.026 1.00 0.00 H new ATOM 963 N ILE A 71 3.903 -9.184 0.957 1.00 0.00 N ATOM 964 CA ILE A 71 3.529 -10.590 0.862 1.00 0.00 C ATOM 965 C ILE A 71 3.026 -11.116 2.202 1.00 0.00 C ATOM 966 O ILE A 71 3.797 -11.366 3.129 1.00 0.00 O ATOM 967 CB ILE A 71 4.712 -11.458 0.395 1.00 0.00 C ATOM 968 CG1 ILE A 71 5.111 -11.087 -1.036 1.00 0.00 C ATOM 969 CG2 ILE A 71 4.355 -12.934 0.485 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.410 -11.718 -1.484 1.00 0.00 C ATOM 0 H ILE A 71 4.442 -8.946 1.789 1.00 0.00 H new ATOM 0 HA ILE A 71 2.729 -10.654 0.124 1.00 0.00 H new ATOM 0 HB ILE A 71 5.562 -11.270 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.315 -11.390 -1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.198 -10.003 -1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.202 -13.534 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.115 -13.188 1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.493 -13.139 -0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.630 -11.411 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.217 -11.395 -0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.321 -12.804 -1.442 1.00 0.00 H new ATOM 982 N PRO A 72 1.700 -11.291 2.309 1.00 0.00 N ATOM 983 CA PRO A 72 1.064 -11.792 3.531 1.00 0.00 C ATOM 984 C PRO A 72 1.377 -13.262 3.787 1.00 0.00 C ATOM 985 O PRO A 72 1.931 -13.948 2.927 1.00 0.00 O ATOM 986 CB PRO A 72 -0.430 -11.604 3.255 1.00 0.00 C ATOM 987 CG PRO A 72 -0.548 -11.628 1.771 1.00 0.00 C ATOM 988 CD PRO A 72 0.721 -11.014 1.245 1.00 0.00 C ATOM 0 HA PRO A 72 1.417 -11.268 4.419 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.020 -12.399 3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.793 -10.662 3.666 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.669 -12.648 1.405 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.421 -11.065 1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.021 -11.461 0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.608 -9.944 1.072 1.00 0.00 H new ATOM 996 N PHE A 73 1.019 -13.741 4.974 1.00 0.00 N ATOM 997 CA PHE A 73 1.263 -15.130 5.343 1.00 0.00 C ATOM 998 C PHE A 73 -0.044 -15.838 5.690 1.00 0.00 C ATOM 999 O PHE A 73 -0.090 -17.063 5.793 1.00 0.00 O ATOM 1000 CB PHE A 73 2.226 -15.203 6.530 1.00 0.00 C ATOM 1001 CG PHE A 73 3.602 -14.688 6.218 1.00 0.00 C ATOM 1002 CD1 PHE A 73 3.785 -13.388 5.775 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.711 -15.505 6.366 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.050 -12.911 5.488 1.00 0.00 C ATOM 1005 CE2 PHE A 73 5.979 -15.033 6.080 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.148 -13.735 5.639 1.00 0.00 C ATOM 0 H PHE A 73 0.559 -13.187 5.697 1.00 0.00 H new ATOM 0 HA PHE A 73 1.713 -15.634 4.487 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.812 -14.630 7.360 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.301 -16.238 6.864 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.930 -12.740 5.653 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.584 -16.521 6.708 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.180 -11.895 5.146 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.836 -15.679 6.201 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.137 -13.365 5.413 1.00 0.00 H new ATOM 1016 N ALA A 74 -1.104 -15.056 5.868 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.412 -15.607 6.202 1.00 0.00 C ATOM 1018 C ALA A 74 -3.532 -14.762 5.605 1.00 0.00 C ATOM 1019 O ALA A 74 -3.453 -13.535 5.548 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.572 -15.709 7.711 1.00 0.00 C ATOM 0 H ALA A 74 -1.083 -14.039 5.787 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.478 -16.607 5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.553 -16.122 7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.798 -16.361 8.116 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.480 -14.718 8.154 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.600 -15.432 5.147 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.757 -14.762 4.546 1.00 0.00 C ATOM 1028 C PRO A 75 -6.567 -13.973 5.569 1.00 0.00 C ATOM 1029 O PRO A 75 -6.640 -14.347 6.739 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.586 -15.920 3.985 1.00 0.00 C ATOM 1031 CG PRO A 75 -6.206 -17.096 4.818 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.761 -16.895 5.183 1.00 0.00 C ATOM 0 HA PRO A 75 -5.459 -14.030 3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.654 -15.713 4.056 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.364 -16.092 2.932 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.829 -17.160 5.710 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.343 -18.026 4.266 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.536 -17.300 6.170 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.095 -17.390 4.476 1.00 0.00 H new ATOM 1040 N GLY A 76 -7.175 -12.879 5.120 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.972 -12.055 6.010 1.00 0.00 C ATOM 1042 C GLY A 76 -8.069 -10.618 5.538 1.00 0.00 C ATOM 1043 O GLY A 76 -7.661 -10.295 4.422 1.00 0.00 O ATOM 0 H GLY A 76 -7.130 -12.549 4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.974 -12.476 6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.536 -12.077 7.009 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.611 -9.753 6.388 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.761 -8.342 6.052 1.00 0.00 C ATOM 1049 C ASP A 77 -7.560 -7.537 6.540 1.00 0.00 C ATOM 1050 O ASP A 77 -7.390 -7.322 7.740 1.00 0.00 O ATOM 1051 CB ASP A 77 -10.047 -7.784 6.664 1.00 0.00 C ATOM 1052 CG ASP A 77 -10.298 -8.310 8.063 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -9.633 -7.831 9.005 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -11.160 -9.201 8.217 1.00 0.00 O ATOM 0 H ASP A 77 -8.954 -10.004 7.315 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.817 -8.256 4.967 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.990 -6.696 6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.892 -8.042 6.025 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.730 -7.096 5.601 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.543 -6.318 5.935 1.00 0.00 C ATOM 1061 C TYR A 78 -5.801 -4.825 5.752 1.00 0.00 C ATOM 1062 O TYR A 78 -6.780 -4.426 5.120 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.362 -6.753 5.067 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.761 -8.077 5.480 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.512 -9.246 5.436 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.445 -8.160 5.917 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.968 -10.459 5.813 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.893 -9.368 6.295 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.658 -10.515 6.242 1.00 0.00 C ATOM 1070 OH TYR A 78 -2.112 -11.720 6.619 1.00 0.00 O ATOM 0 H TYR A 78 -6.857 -7.264 4.603 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.302 -6.501 6.982 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.690 -6.820 4.030 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.590 -5.985 5.108 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.538 -9.205 5.101 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.843 -7.264 5.962 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.565 -11.358 5.772 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.867 -9.415 6.630 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.778 -12.430 6.508 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.916 -4.006 6.308 1.00 0.00 N ATOM 1081 CA ASP A 79 -5.045 -2.557 6.205 1.00 0.00 C ATOM 1082 C ASP A 79 -3.698 -1.912 5.891 1.00 0.00 C ATOM 1083 O ASP A 79 -2.814 -1.851 6.745 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.610 -1.981 7.505 1.00 0.00 C ATOM 1085 CG ASP A 79 -7.125 -1.916 7.499 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.705 -1.678 6.419 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.730 -2.104 8.574 1.00 0.00 O ATOM 0 H ASP A 79 -4.101 -4.320 6.835 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.732 -2.335 5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.279 -2.593 8.344 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.207 -0.980 7.661 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.550 -1.433 4.660 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.312 -0.793 4.233 1.00 0.00 C ATOM 1094 C VAL A 80 -2.221 0.635 4.759 1.00 0.00 C ATOM 1095 O VAL A 80 -2.948 1.520 4.309 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.191 -0.772 2.698 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -0.856 -0.179 2.275 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.366 -2.172 2.131 1.00 0.00 C ATOM 0 H VAL A 80 -4.272 -1.476 3.941 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.493 -1.382 4.646 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.984 -0.141 2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.789 -0.173 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.776 0.842 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.045 -0.780 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.278 -2.138 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.596 -2.828 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.350 -2.554 2.403 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.324 0.852 5.715 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.138 2.174 6.303 1.00 0.00 C ATOM 1110 C ASN A 81 -0.130 2.990 5.499 1.00 0.00 C ATOM 1111 O ASN A 81 1.035 2.609 5.376 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.668 2.048 7.754 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.739 1.471 8.660 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.318 2.179 9.483 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -2.005 0.179 8.512 1.00 0.00 N ATOM 0 H ASN A 81 -0.715 0.130 6.099 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.097 2.692 6.282 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.217 1.413 7.793 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.373 3.030 8.124 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.715 -0.265 9.094 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.499 -0.369 7.816 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.586 4.114 4.956 1.00 0.00 N ATOM 1123 CA ILE A 82 0.276 4.984 4.166 1.00 0.00 C ATOM 1124 C ILE A 82 0.280 6.405 4.721 1.00 0.00 C ATOM 1125 O ILE A 82 -0.747 7.084 4.727 1.00 0.00 O ATOM 1126 CB ILE A 82 -0.163 5.023 2.691 1.00 0.00 C ATOM 1127 CG1 ILE A 82 -0.217 3.606 2.115 1.00 0.00 C ATOM 1128 CG2 ILE A 82 0.784 5.894 1.879 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -0.825 3.539 0.731 1.00 0.00 C ATOM 0 H ILE A 82 -1.547 4.443 5.049 1.00 0.00 H new ATOM 0 HA ILE A 82 1.282 4.570 4.226 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.162 5.456 2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.793 3.198 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.794 2.971 2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.460 5.911 0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.778 6.908 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.793 5.487 1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.831 2.505 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.847 3.916 0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.236 4.147 0.045 1.00 0.00 H new ATOM 1141 N THR A 83 1.443 6.850 5.186 1.00 0.00 N ATOM 1142 CA THR A 83 1.581 8.189 5.743 1.00 0.00 C ATOM 1143 C THR A 83 2.732 8.942 5.085 1.00 0.00 C ATOM 1144 O THR A 83 3.738 8.345 4.700 1.00 0.00 O ATOM 1145 CB THR A 83 1.816 8.144 7.264 1.00 0.00 C ATOM 1146 OG1 THR A 83 3.053 7.481 7.550 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.675 7.425 7.967 1.00 0.00 C ATOM 0 H THR A 83 2.303 6.302 5.188 1.00 0.00 H new ATOM 0 HA THR A 83 0.646 8.712 5.543 1.00 0.00 H new ATOM 0 HB THR A 83 1.860 9.169 7.633 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.196 7.458 8.519 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.863 7.406 9.040 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.260 7.949 7.772 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.603 6.404 7.593 1.00 0.00 H new ATOM 1155 N TYR A 84 2.579 10.255 4.959 1.00 0.00 N ATOM 1156 CA TYR A 84 3.605 11.090 4.345 1.00 0.00 C ATOM 1157 C TYR A 84 4.165 12.092 5.350 1.00 0.00 C ATOM 1158 O TYR A 84 3.536 13.106 5.649 1.00 0.00 O ATOM 1159 CB TYR A 84 3.034 11.829 3.134 1.00 0.00 C ATOM 1160 CG TYR A 84 4.091 12.311 2.166 1.00 0.00 C ATOM 1161 CD1 TYR A 84 4.950 11.415 1.542 1.00 0.00 C ATOM 1162 CD2 TYR A 84 4.231 13.663 1.876 1.00 0.00 C ATOM 1163 CE1 TYR A 84 5.918 11.851 0.657 1.00 0.00 C ATOM 1164 CE2 TYR A 84 5.194 14.108 0.991 1.00 0.00 C ATOM 1165 CZ TYR A 84 6.035 13.198 0.385 1.00 0.00 C ATOM 1166 OH TYR A 84 6.997 13.637 -0.496 1.00 0.00 O ATOM 0 H TYR A 84 1.754 10.765 5.274 1.00 0.00 H new ATOM 0 HA TYR A 84 4.417 10.441 4.016 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.345 11.169 2.607 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.454 12.684 3.481 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.860 10.359 1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.576 14.378 2.351 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.579 11.141 0.181 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.288 15.162 0.775 1.00 0.00 H new ATOM 0 HH TYR A 84 6.945 14.612 -0.577 1.00 0.00 H new ATOM 1176 N GLY A 85 5.355 11.800 5.867 1.00 0.00 N ATOM 1177 CA GLY A 85 5.981 12.684 6.832 1.00 0.00 C ATOM 1178 C GLY A 85 5.400 12.529 8.224 1.00 0.00 C ATOM 1179 O GLY A 85 6.097 12.128 9.154 1.00 0.00 O ATOM 0 H GLY A 85 5.896 10.967 5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.052 12.482 6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.861 13.717 6.505 1.00 0.00 H new ATOM 1183 N GLY A 86 4.117 12.851 8.367 1.00 0.00 N ATOM 1184 CA GLY A 86 3.465 12.740 9.658 1.00 0.00 C ATOM 1185 C GLY A 86 1.955 12.825 9.554 1.00 0.00 C ATOM 1186 O GLY A 86 1.275 13.140 10.530 1.00 0.00 O ATOM 0 H GLY A 86 3.519 13.186 7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.741 11.793 10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.826 13.533 10.313 1.00 0.00 H new ATOM 1190 N ALA A 87 1.429 12.544 8.366 1.00 0.00 N ATOM 1191 CA ALA A 87 -0.010 12.590 8.138 1.00 0.00 C ATOM 1192 C ALA A 87 -0.475 11.390 7.320 1.00 0.00 C ATOM 1193 O ALA A 87 0.288 10.830 6.533 1.00 0.00 O ATOM 1194 CB ALA A 87 -0.393 13.887 7.441 1.00 0.00 C ATOM 0 H ALA A 87 1.978 12.282 7.547 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.508 12.551 9.107 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.470 13.908 7.277 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.104 14.734 8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.121 13.950 6.482 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.731 10.999 7.512 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.297 9.865 6.791 1.00 0.00 C ATOM 1202 C HIS A 88 -2.921 10.315 5.473 1.00 0.00 C ATOM 1203 O HIS A 88 -3.730 11.243 5.444 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.346 9.159 7.651 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.777 8.093 8.535 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.468 6.827 8.084 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -2.459 8.110 9.851 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -1.986 6.111 9.085 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.970 6.866 10.168 1.00 0.00 N ATOM 0 H HIS A 88 -2.376 11.451 8.161 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.489 9.167 6.570 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.855 9.899 8.269 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.099 8.716 7.000 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.569 8.946 10.526 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.660 5.083 9.027 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.647 6.573 11.090 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.540 9.652 4.387 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.063 9.984 3.067 1.00 0.00 C ATOM 1220 C ILE A 89 -4.544 9.636 2.959 1.00 0.00 C ATOM 1221 O ILE A 89 -5.041 8.720 3.615 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.292 9.249 1.955 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.555 7.744 2.030 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -0.802 9.537 2.064 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.276 7.016 0.734 1.00 0.00 C ATOM 0 H ILE A 89 -1.871 8.882 4.395 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.934 11.059 2.938 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.643 9.613 0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.937 7.314 2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.594 7.579 2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.271 9.010 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.630 10.609 1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.436 9.198 3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.484 5.954 0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.913 7.419 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.230 7.150 0.459 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.266 10.381 2.110 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.700 10.169 1.894 1.00 0.00 C ATOM 1239 C PRO A 90 -6.988 8.869 1.151 1.00 0.00 C ATOM 1240 O PRO A 90 -7.117 8.857 -0.073 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.113 11.373 1.044 1.00 0.00 C ATOM 1242 CG PRO A 90 -5.864 11.790 0.346 1.00 0.00 C ATOM 1243 CD PRO A 90 -4.739 11.489 1.296 1.00 0.00 C ATOM 0 HA PRO A 90 -7.246 10.086 2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.894 11.106 0.332 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.508 12.178 1.663 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.740 11.246 -0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.892 12.851 0.097 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.831 11.201 0.765 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.489 12.355 1.909 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.088 7.774 1.899 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.360 6.484 1.294 1.00 0.00 C ATOM 1253 C GLY A 91 -6.945 5.328 2.181 1.00 0.00 C ATOM 1254 O GLY A 91 -7.391 4.197 1.989 1.00 0.00 O ATOM 0 H GLY A 91 -6.985 7.758 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.425 6.406 1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.834 6.415 0.342 1.00 0.00 H new ATOM 1258 N SER A 92 -6.086 5.610 3.155 1.00 0.00 N ATOM 1259 CA SER A 92 -5.605 4.584 4.073 1.00 0.00 C ATOM 1260 C SER A 92 -6.298 4.698 5.427 1.00 0.00 C ATOM 1261 O SER A 92 -6.740 5.771 5.839 1.00 0.00 O ATOM 1262 CB SER A 92 -4.090 4.698 4.251 1.00 0.00 C ATOM 1263 OG SER A 92 -3.696 4.276 5.545 1.00 0.00 O ATOM 0 H SER A 92 -5.708 6.541 3.329 1.00 0.00 H new ATOM 0 HA SER A 92 -5.841 3.610 3.645 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.586 4.092 3.498 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.778 5.730 4.091 1.00 0.00 H new ATOM 0 HG SER A 92 -3.550 5.060 6.115 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.397 3.564 6.137 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.876 2.281 5.657 1.00 0.00 C ATOM 1271 C PRO A 93 -6.680 1.731 4.484 1.00 0.00 C ATOM 1272 O PRO A 93 -7.902 1.874 4.434 1.00 0.00 O ATOM 1273 CB PRO A 93 -6.013 1.364 6.875 1.00 0.00 C ATOM 1274 CG PRO A 93 -7.117 1.962 7.677 1.00 0.00 C ATOM 1275 CD PRO A 93 -7.026 3.448 7.464 1.00 0.00 C ATOM 0 HA PRO A 93 -4.855 2.370 5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.249 0.342 6.577 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.086 1.323 7.446 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.085 1.580 7.354 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.012 1.712 8.733 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.009 3.918 7.485 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.426 3.929 8.237 1.00 0.00 H new ATOM 1283 N PHE A 94 -5.988 1.102 3.540 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.638 0.531 2.367 1.00 0.00 C ATOM 1285 C PHE A 94 -6.975 -0.940 2.593 1.00 0.00 C ATOM 1286 O PHE A 94 -6.093 -1.799 2.583 1.00 0.00 O ATOM 1287 CB PHE A 94 -5.738 0.676 1.138 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.511 2.102 0.726 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -4.594 2.894 1.397 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.215 2.651 -0.334 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.384 4.207 1.021 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.009 3.964 -0.716 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.091 4.742 -0.038 1.00 0.00 C ATOM 0 H PHE A 94 -4.976 0.975 3.565 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.566 1.076 2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.775 0.209 1.345 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.184 0.132 0.305 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.036 2.480 2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -6.933 2.046 -0.868 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.668 4.814 1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.565 4.380 -1.543 1.00 0.00 H new ATOM 0 HZ PHE A 94 -4.926 5.767 -0.335 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.258 -1.222 2.798 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.712 -2.587 3.029 1.00 0.00 C ATOM 1305 C ARG A 95 -8.453 -3.461 1.805 1.00 0.00 C ATOM 1306 O ARG A 95 -8.757 -3.073 0.677 1.00 0.00 O ATOM 1307 CB ARG A 95 -10.203 -2.600 3.372 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.767 -3.995 3.587 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.149 -4.664 4.805 1.00 0.00 C ATOM 1310 NE ARG A 95 -10.551 -4.013 6.049 1.00 0.00 N ATOM 1311 CZ ARG A 95 -11.755 -4.151 6.595 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -12.669 -4.912 6.009 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -12.046 -3.526 7.729 1.00 0.00 N ATOM 0 H ARG A 95 -9.001 -0.523 2.809 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.149 -2.993 3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.365 -2.009 4.274 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.756 -2.114 2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.848 -3.936 3.712 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.581 -4.604 2.702 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.445 -5.713 4.832 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.063 -4.642 4.719 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.871 -3.420 6.525 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.449 -5.393 5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.592 -5.016 6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.346 -2.939 8.182 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.970 -3.632 8.147 1.00 0.00 H new ATOM 1327 N VAL A 96 -7.889 -4.642 2.037 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.589 -5.572 0.954 1.00 0.00 C ATOM 1329 C VAL A 96 -7.910 -7.007 1.356 1.00 0.00 C ATOM 1330 O VAL A 96 -7.360 -7.546 2.317 1.00 0.00 O ATOM 1331 CB VAL A 96 -6.110 -5.486 0.535 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -5.889 -6.198 -0.792 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -5.663 -4.035 0.451 1.00 0.00 C ATOM 0 H VAL A 96 -7.631 -4.978 2.965 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.216 -5.287 0.109 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.506 -5.985 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.838 -6.127 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.168 -7.247 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.502 -5.731 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.615 -3.994 0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.270 -3.509 -0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.783 -3.560 1.425 1.00 0.00 H new ATOM 1343 N PRO A 97 -8.822 -7.642 0.605 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.236 -9.024 0.864 1.00 0.00 C ATOM 1345 C PRO A 97 -8.133 -10.029 0.549 1.00 0.00 C ATOM 1346 O PRO A 97 -7.989 -10.472 -0.590 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.424 -9.221 -0.081 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.197 -8.246 -1.184 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.518 -7.061 -0.555 1.00 0.00 C ATOM 0 HA PRO A 97 -9.477 -9.187 1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.465 -10.243 -0.458 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.370 -9.031 0.427 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.577 -8.681 -1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.139 -7.955 -1.648 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -8.821 -6.585 -1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.237 -6.300 -0.252 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.355 -10.385 1.567 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.265 -11.339 1.399 1.00 0.00 C ATOM 1359 C VAL A 98 -6.783 -12.772 1.410 1.00 0.00 C ATOM 1360 O VAL A 98 -7.101 -13.322 2.465 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.204 -11.179 2.504 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.123 -12.239 2.363 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.602 -9.783 2.467 1.00 0.00 C ATOM 0 H VAL A 98 -7.460 -10.027 2.516 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.806 -11.129 0.433 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.688 -11.315 3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.382 -12.110 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.572 -13.229 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.639 -12.138 1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.855 -9.688 3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.132 -9.615 1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.388 -9.044 2.622 1.00 0.00 H new ATOM 1373 N LYS A 99 -6.866 -13.375 0.228 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.344 -14.746 0.100 1.00 0.00 C ATOM 1375 C LYS A 99 -6.179 -15.731 0.107 1.00 0.00 C ATOM 1376 O LYS A 99 -5.016 -15.331 0.158 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.153 -14.907 -1.189 1.00 0.00 C ATOM 1378 CG LYS A 99 -8.808 -13.621 -1.661 1.00 0.00 C ATOM 1379 CD LYS A 99 -9.589 -13.832 -2.947 1.00 0.00 C ATOM 1380 CE LYS A 99 -10.834 -14.673 -2.712 1.00 0.00 C ATOM 1381 NZ LYS A 99 -11.840 -13.955 -1.881 1.00 0.00 N ATOM 0 H LYS A 99 -6.608 -12.935 -0.655 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.985 -14.962 0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.497 -15.281 -1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.924 -15.661 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.476 -13.246 -0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.044 -12.859 -1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.875 -12.866 -3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.952 -14.321 -3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.279 -14.939 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.555 -15.605 -2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.758 -14.439 -1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.529 -13.947 -0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.937 -12.977 -2.221 1.00 0.00 H new ATOM 1395 N ASP A 100 -6.499 -17.019 0.055 1.00 0.00 N ATOM 1396 CA ASP A 100 -5.479 -18.061 0.053 1.00 0.00 C ATOM 1397 C ASP A 100 -5.685 -19.021 -1.114 1.00 0.00 C ATOM 1398 O ASP A 100 -6.815 -19.281 -1.526 1.00 0.00 O ATOM 1399 CB ASP A 100 -5.504 -18.832 1.374 1.00 0.00 C ATOM 1400 CG ASP A 100 -4.137 -19.359 1.763 1.00 0.00 C ATOM 1401 OD1 ASP A 100 -3.478 -19.988 0.909 1.00 0.00 O ATOM 1402 OD2 ASP A 100 -3.726 -19.141 2.922 1.00 0.00 O ATOM 0 H ASP A 100 -7.457 -17.367 0.014 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.506 -17.582 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -5.877 -18.181 2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.202 -19.666 1.292 1.00 0.00 H new ATOM 1407 N VAL A 101 -4.584 -19.545 -1.645 1.00 0.00 N ATOM 1408 CA VAL A 101 -4.643 -20.476 -2.765 1.00 0.00 C ATOM 1409 C VAL A 101 -4.375 -21.905 -2.306 1.00 0.00 C ATOM 1410 O VAL A 101 -4.882 -22.862 -2.892 1.00 0.00 O ATOM 1411 CB VAL A 101 -3.627 -20.102 -3.861 1.00 0.00 C ATOM 1412 CG1 VAL A 101 -3.732 -21.061 -5.036 1.00 0.00 C ATOM 1413 CG2 VAL A 101 -3.839 -18.665 -4.314 1.00 0.00 C ATOM 0 H VAL A 101 -3.640 -19.340 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.650 -20.412 -3.177 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.623 -20.184 -3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.007 -20.781 -5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.528 -22.076 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.737 -21.014 -5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.113 -18.417 -5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.847 -18.554 -4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.709 -17.993 -3.466 1.00 0.00 H new ATOM 1423 N VAL A 102 -3.576 -22.043 -1.253 1.00 0.00 N ATOM 1424 CA VAL A 102 -3.242 -23.356 -0.714 1.00 0.00 C ATOM 1425 C VAL A 102 -3.873 -23.563 0.658 1.00 0.00 C ATOM 1426 O VAL A 102 -3.766 -22.709 1.538 1.00 0.00 O ATOM 1427 CB VAL A 102 -1.717 -23.543 -0.599 1.00 0.00 C ATOM 1428 CG1 VAL A 102 -1.390 -24.910 -0.016 1.00 0.00 C ATOM 1429 CG2 VAL A 102 -1.054 -23.361 -1.956 1.00 0.00 C ATOM 0 H VAL A 102 -3.148 -21.262 -0.756 1.00 0.00 H new ATOM 0 HA VAL A 102 -3.640 -24.095 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.325 -22.782 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.309 -25.025 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.833 -24.998 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -1.794 -25.688 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.023 -23.497 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.449 -24.098 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.260 -22.358 -2.330 1.00 0.00 H new ATOM 1439 N ASP A 103 -4.532 -24.703 0.834 1.00 0.00 N ATOM 1440 CA ASP A 103 -5.180 -25.025 2.100 1.00 0.00 C ATOM 1441 C ASP A 103 -5.008 -26.502 2.439 1.00 0.00 C ATOM 1442 O ASP A 103 -5.003 -27.368 1.564 1.00 0.00 O ATOM 1443 CB ASP A 103 -6.667 -24.672 2.040 1.00 0.00 C ATOM 1444 CG ASP A 103 -7.436 -25.565 1.087 1.00 0.00 C ATOM 1445 OD1 ASP A 103 -6.818 -26.091 0.138 1.00 0.00 O ATOM 1446 OD2 ASP A 103 -8.656 -25.738 1.289 1.00 0.00 O ATOM 0 H ASP A 103 -4.632 -25.420 0.115 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.705 -24.434 2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.098 -24.755 3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.779 -23.633 1.730 1.00 0.00 H new ATOM 1451 N PRO A 104 -4.864 -26.799 3.739 1.00 0.00 N ATOM 1452 CA PRO A 104 -4.689 -28.172 4.223 1.00 0.00 C ATOM 1453 C PRO A 104 -5.957 -29.005 4.073 1.00 0.00 C ATOM 1454 O PRO A 104 -6.869 -28.918 4.894 1.00 0.00 O ATOM 1455 CB PRO A 104 -4.344 -27.984 5.702 1.00 0.00 C ATOM 1456 CG PRO A 104 -4.948 -26.673 6.069 1.00 0.00 C ATOM 1457 CD PRO A 104 -4.861 -25.817 4.836 1.00 0.00 C ATOM 0 HA PRO A 104 -3.928 -28.710 3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.752 -28.792 6.309 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.265 -27.981 5.859 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -5.983 -26.796 6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.412 -26.215 6.900 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.704 -25.130 4.763 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.955 -25.211 4.831 1.00 0.00 H new ATOM 1465 N SER A 105 -6.006 -29.814 3.019 1.00 0.00 N ATOM 1466 CA SER A 105 -7.164 -30.661 2.760 1.00 0.00 C ATOM 1467 C SER A 105 -7.023 -32.006 3.467 1.00 0.00 C ATOM 1468 O SER A 105 -5.914 -32.449 3.762 1.00 0.00 O ATOM 1469 CB SER A 105 -7.338 -30.879 1.256 1.00 0.00 C ATOM 1470 OG SER A 105 -8.445 -31.721 0.986 1.00 0.00 O ATOM 0 H SER A 105 -5.258 -29.900 2.331 1.00 0.00 H new ATOM 0 HA SER A 105 -8.047 -30.155 3.151 1.00 0.00 H new ATOM 0 HB2 SER A 105 -7.479 -29.918 0.760 1.00 0.00 H new ATOM 0 HB3 SER A 105 -6.432 -31.321 0.843 1.00 0.00 H new ATOM 0 HG SER A 105 -8.535 -31.843 0.018 1.00 0.00 H new TER 1476 SER A 105