USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1248 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 143 THR OG1 : rot 180:sc= -0.232 USER MOD Set 1.2: A 144 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 130 LYS NZ :NH3+ 166:sc= -0.782 (180deg=-1.11) USER MOD Set 3.1: A 103 GLN : amide:sc= -1.45 K(o=-3,f=-6.8!) USER MOD Set 3.2: A 117 GLN : amide:sc= -1.36 K(o=-3,f=-4.5) USER MOD Set 3.3: A 118 MET CE :methyl -161:sc= -0.219 (180deg=-0.601) USER MOD Set 4.1: A 101 TYR OH : rot 141:sc= -2.72! USER MOD Set 4.2: A 160 GLN : amide:sc= -0.265 X(o=-3,f=-2.9) USER MOD Set 5.1: A 68 MET CE :methyl -173:sc= 0 (180deg=-0.00879) USER MOD Set 5.2: A 178 SER OG : rot 71:sc= -0.779 USER MOD Single : A 21 THR OG1 : rot 2:sc= 0.25 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.37) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 36:sc= -1.6 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0823 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl 179:sc= -0.384 (180deg=-0.393) USER MOD Single : A 62 ASN : amide:sc= -0.629 K(o=-0.63,f=-5.4!) USER MOD Single : A 64 ASN : amide:sc= -0.328 K(o=-0.33,f=-3.5!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.203 K(o=-0.2,f=-2.2!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.42! C(o=-2.4!,f=-3.3!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -22:sc= 0.129 USER MOD Single : A 98 TYR OH : rot 180:sc= -4.08! USER MOD Single : A 104 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.032) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= -0.399 USER MOD Single : A 112 GLN : amide:sc= -3 X(o=-3,f=-3.1) USER MOD Single : A 119 SER OG : rot 106:sc= 0.608 USER MOD Single : A 120 THR OG1 : rot -3:sc= -4.13! USER MOD Single : A 121 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.15) USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.444 K(o=-0.44,f=-3!) USER MOD Single : A 138 THR OG1 : rot 180:sc= -0.0497 USER MOD Single : A 139 THR OG1 : rot -11:sc= -4.98! USER MOD Single : A 145 ASN : amide:sc= -6.3! C(o=-6.3!,f=-3.2!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 GLN : amide:sc=-0.00857 X(o=-0.0086,f=0) USER MOD Single : A 155 GLN : amide:sc= -0.675 K(o=-0.67,f=-1.5!) USER MOD Single : A 156 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 162 MET CE :methyl -122:sc= -13.8! (180deg=-20.3!) USER MOD Single : A 163 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 170 SER OG : rot 110:sc= -0.279 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD Single : A 184 GLN : amide:sc= -0.404 K(o=-0.4,f=-3!) USER MOD Single : A 185 MET CE :methyl -152:sc= -2.31 (180deg=-3.03!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 21 20.350 10.264 1.307 1.00 1.45 N ATOM 21 CA THR A 21 20.437 10.288 -0.183 1.00 0.42 C ATOM 22 C THR A 21 19.074 9.924 -0.824 1.00 0.27 C ATOM 23 O THR A 21 18.025 10.245 -0.302 1.00 0.24 O ATOM 24 CB THR A 21 21.517 9.275 -0.584 1.00 1.42 C ATOM 25 OG1 THR A 21 21.906 9.479 -1.935 1.00 2.36 O ATOM 26 CG2 THR A 21 20.982 7.851 -0.392 1.00 2.65 C ATOM 0 HA THR A 21 20.693 11.287 -0.537 1.00 0.42 H new ATOM 0 HB THR A 21 22.392 9.415 0.050 1.00 1.42 H new ATOM 0 HG1 THR A 21 21.418 10.244 -2.304 1.00 2.36 H new ATOM 0 HG21 THR A 21 21.750 7.132 -0.677 1.00 2.65 H new ATOM 0 HG22 THR A 21 20.715 7.701 0.654 1.00 2.65 H new ATOM 0 HG23 THR A 21 20.100 7.706 -1.016 1.00 2.65 H new ATOM 34 N SER A 22 19.086 9.264 -1.961 1.00 0.41 N ATOM 35 CA SER A 22 17.811 8.889 -2.637 1.00 0.47 C ATOM 36 C SER A 22 16.882 8.178 -1.652 1.00 0.42 C ATOM 37 O SER A 22 15.692 8.420 -1.631 1.00 0.37 O ATOM 38 CB SER A 22 18.119 7.957 -3.809 1.00 0.74 C ATOM 39 OG SER A 22 17.908 8.652 -5.031 1.00 1.49 O ATOM 0 H SER A 22 19.932 8.970 -2.448 1.00 0.41 H new ATOM 0 HA SER A 22 17.319 9.791 -3.000 1.00 0.47 H new ATOM 0 HB2 SER A 22 19.150 7.608 -3.749 1.00 0.74 H new ATOM 0 HB3 SER A 22 17.480 7.075 -3.764 1.00 0.74 H new ATOM 0 HG SER A 22 18.106 8.057 -5.784 1.00 1.49 H new ATOM 45 N SER A 23 17.405 7.304 -0.835 1.00 0.57 N ATOM 46 CA SER A 23 16.531 6.593 0.143 1.00 0.60 C ATOM 47 C SER A 23 15.803 7.631 0.993 1.00 0.50 C ATOM 48 O SER A 23 14.631 7.503 1.281 1.00 0.46 O ATOM 49 CB SER A 23 17.382 5.694 1.041 1.00 0.71 C ATOM 50 OG SER A 23 16.591 4.607 1.503 1.00 1.07 O ATOM 0 H SER A 23 18.393 7.052 -0.802 1.00 0.57 H new ATOM 0 HA SER A 23 15.808 5.975 -0.388 1.00 0.60 H new ATOM 0 HB2 SER A 23 18.245 5.322 0.489 1.00 0.71 H new ATOM 0 HB3 SER A 23 17.766 6.264 1.887 1.00 0.71 H new ATOM 0 HG SER A 23 17.134 4.028 2.077 1.00 1.07 H new ATOM 56 N GLU A 24 16.490 8.664 1.390 1.00 0.48 N ATOM 57 CA GLU A 24 15.841 9.721 2.206 1.00 0.40 C ATOM 58 C GLU A 24 14.647 10.286 1.425 1.00 0.31 C ATOM 59 O GLU A 24 13.613 10.594 1.986 1.00 0.34 O ATOM 60 CB GLU A 24 16.893 10.802 2.533 1.00 0.43 C ATOM 61 CG GLU A 24 16.911 11.949 1.507 1.00 2.42 C ATOM 62 CD GLU A 24 15.951 13.053 1.956 1.00 3.05 C ATOM 63 OE1 GLU A 24 15.944 13.360 3.137 1.00 2.04 O ATOM 64 OE2 GLU A 24 15.239 13.572 1.112 1.00 4.77 O ATOM 0 H GLU A 24 17.476 8.821 1.183 1.00 0.48 H new ATOM 0 HA GLU A 24 15.462 9.324 3.148 1.00 0.40 H new ATOM 0 HB2 GLU A 24 16.692 11.210 3.523 1.00 0.43 H new ATOM 0 HB3 GLU A 24 17.880 10.341 2.573 1.00 0.43 H new ATOM 0 HG2 GLU A 24 17.921 12.348 1.410 1.00 2.42 H new ATOM 0 HG3 GLU A 24 16.620 11.577 0.525 1.00 2.42 H new ATOM 71 N ARG A 25 14.781 10.409 0.132 1.00 0.27 N ATOM 72 CA ARG A 25 13.655 10.936 -0.684 1.00 0.27 C ATOM 73 C ARG A 25 12.540 9.891 -0.720 1.00 0.28 C ATOM 74 O ARG A 25 11.375 10.215 -0.834 1.00 0.29 O ATOM 75 CB ARG A 25 14.141 11.222 -2.106 1.00 0.37 C ATOM 76 CG ARG A 25 15.462 11.991 -2.047 1.00 0.79 C ATOM 77 CD ARG A 25 15.547 12.962 -3.227 1.00 0.38 C ATOM 78 NE ARG A 25 16.344 14.156 -2.828 1.00 1.61 N ATOM 79 CZ ARG A 25 15.847 15.356 -2.978 1.00 2.05 C ATOM 80 NH1 ARG A 25 15.452 15.756 -4.155 1.00 1.43 N ATOM 81 NH2 ARG A 25 15.747 16.154 -1.950 1.00 3.51 N ATOM 0 H ARG A 25 15.622 10.167 -0.392 1.00 0.27 H new ATOM 0 HA ARG A 25 13.280 11.860 -0.245 1.00 0.27 H new ATOM 0 HB2 ARG A 25 14.276 10.288 -2.651 1.00 0.37 H new ATOM 0 HB3 ARG A 25 13.394 11.802 -2.648 1.00 0.37 H new ATOM 0 HG2 ARG A 25 15.533 12.539 -1.107 1.00 0.79 H new ATOM 0 HG3 ARG A 25 16.301 11.295 -2.075 1.00 0.79 H new ATOM 0 HD2 ARG A 25 16.010 12.472 -4.083 1.00 0.38 H new ATOM 0 HD3 ARG A 25 14.547 13.265 -3.536 1.00 0.38 H new ATOM 0 HE ARG A 25 17.279 14.037 -2.437 1.00 1.61 H new ATOM 0 HH11 ARG A 25 15.531 15.133 -4.958 1.00 1.43 H new ATOM 0 HH12 ARG A 25 15.064 16.692 -4.272 1.00 1.43 H new ATOM 0 HH21 ARG A 25 16.057 15.841 -1.030 1.00 3.51 H new ATOM 0 HH22 ARG A 25 15.359 17.090 -2.067 1.00 3.51 H new ATOM 95 N ILE A 26 12.886 8.636 -0.613 1.00 0.30 N ATOM 96 CA ILE A 26 11.839 7.580 -0.624 1.00 0.31 C ATOM 97 C ILE A 26 11.043 7.675 0.685 1.00 0.21 C ATOM 98 O ILE A 26 9.863 7.412 0.720 1.00 0.34 O ATOM 99 CB ILE A 26 12.496 6.193 -0.775 1.00 0.44 C ATOM 100 CG1 ILE A 26 12.890 5.993 -2.248 1.00 0.60 C ATOM 101 CG2 ILE A 26 11.516 5.085 -0.352 1.00 0.58 C ATOM 102 CD1 ILE A 26 13.359 4.552 -2.487 1.00 0.51 C ATOM 0 H ILE A 26 13.844 8.300 -0.519 1.00 0.30 H new ATOM 0 HA ILE A 26 11.163 7.721 -1.467 1.00 0.31 H new ATOM 0 HB ILE A 26 13.377 6.139 -0.136 1.00 0.44 H new ATOM 0 HG12 ILE A 26 12.039 6.216 -2.892 1.00 0.60 H new ATOM 0 HG13 ILE A 26 13.684 6.690 -2.516 1.00 0.60 H new ATOM 0 HG21 ILE A 26 11.996 4.113 -0.465 1.00 0.58 H new ATOM 0 HG22 ILE A 26 11.230 5.230 0.690 1.00 0.58 H new ATOM 0 HG23 ILE A 26 10.627 5.126 -0.981 1.00 0.58 H new ATOM 0 HD11 ILE A 26 13.634 4.428 -3.534 1.00 0.51 H new ATOM 0 HD12 ILE A 26 14.224 4.342 -1.857 1.00 0.51 H new ATOM 0 HD13 ILE A 26 12.553 3.861 -2.239 1.00 0.51 H new ATOM 114 N ASP A 27 11.681 8.061 1.758 1.00 0.12 N ATOM 115 CA ASP A 27 10.954 8.182 3.056 1.00 0.20 C ATOM 116 C ASP A 27 9.943 9.326 2.957 1.00 0.26 C ATOM 117 O ASP A 27 8.755 9.138 3.126 1.00 0.29 O ATOM 118 CB ASP A 27 11.957 8.484 4.170 1.00 0.28 C ATOM 119 CG ASP A 27 11.217 8.640 5.500 1.00 0.43 C ATOM 120 OD1 ASP A 27 10.846 7.628 6.073 1.00 1.83 O ATOM 121 OD2 ASP A 27 11.036 9.770 5.925 1.00 0.87 O ATOM 0 H ASP A 27 12.673 8.297 1.792 1.00 0.12 H new ATOM 0 HA ASP A 27 10.434 7.250 3.278 1.00 0.20 H new ATOM 0 HB2 ASP A 27 12.689 7.679 4.242 1.00 0.28 H new ATOM 0 HB3 ASP A 27 12.508 9.396 3.940 1.00 0.28 H new ATOM 126 N LYS A 28 10.410 10.513 2.682 1.00 0.42 N ATOM 127 CA LYS A 28 9.484 11.675 2.568 1.00 0.55 C ATOM 128 C LYS A 28 8.419 11.379 1.510 1.00 0.58 C ATOM 129 O LYS A 28 7.318 11.890 1.562 1.00 0.66 O ATOM 130 CB LYS A 28 10.278 12.922 2.160 1.00 0.59 C ATOM 131 CG LYS A 28 11.114 12.621 0.914 1.00 1.50 C ATOM 132 CD LYS A 28 10.347 13.055 -0.337 1.00 1.89 C ATOM 133 CE LYS A 28 10.162 14.573 -0.324 1.00 1.64 C ATOM 134 NZ LYS A 28 9.955 15.057 -1.719 1.00 2.61 N ATOM 0 H LYS A 28 11.395 10.729 2.531 1.00 0.42 H new ATOM 0 HA LYS A 28 9.001 11.850 3.529 1.00 0.55 H new ATOM 0 HB2 LYS A 28 9.596 13.749 1.961 1.00 0.59 H new ATOM 0 HB3 LYS A 28 10.927 13.234 2.978 1.00 0.59 H new ATOM 0 HG2 LYS A 28 12.068 13.146 0.968 1.00 1.50 H new ATOM 0 HG3 LYS A 28 11.339 11.556 0.863 1.00 1.50 H new ATOM 0 HD2 LYS A 28 10.890 12.752 -1.232 1.00 1.89 H new ATOM 0 HD3 LYS A 28 9.376 12.560 -0.371 1.00 1.89 H new ATOM 0 HE2 LYS A 28 9.307 14.841 0.297 1.00 1.64 H new ATOM 0 HE3 LYS A 28 11.037 15.054 0.114 1.00 1.64 H new ATOM 0 HZ1 LYS A 28 9.829 16.089 -1.713 1.00 2.61 H new ATOM 0 HZ2 LYS A 28 10.784 14.813 -2.298 1.00 2.61 H new ATOM 0 HZ3 LYS A 28 9.108 14.607 -2.120 1.00 2.61 H new ATOM 148 N GLN A 29 8.741 10.558 0.547 1.00 0.51 N ATOM 149 CA GLN A 29 7.751 10.232 -0.519 1.00 0.52 C ATOM 150 C GLN A 29 6.640 9.347 0.060 1.00 0.51 C ATOM 151 O GLN A 29 5.475 9.528 -0.238 1.00 0.61 O ATOM 152 CB GLN A 29 8.461 9.501 -1.663 1.00 0.47 C ATOM 153 CG GLN A 29 8.696 10.471 -2.824 1.00 0.54 C ATOM 154 CD GLN A 29 7.352 10.880 -3.431 1.00 1.58 C ATOM 155 OE1 GLN A 29 6.952 12.024 -3.339 1.00 2.21 O ATOM 156 NE2 GLN A 29 6.634 9.986 -4.056 1.00 2.80 N ATOM 0 H GLN A 29 9.647 10.099 0.453 1.00 0.51 H new ATOM 0 HA GLN A 29 7.307 11.152 -0.900 1.00 0.52 H new ATOM 0 HB2 GLN A 29 9.412 9.097 -1.315 1.00 0.47 H new ATOM 0 HB3 GLN A 29 7.859 8.656 -1.998 1.00 0.47 H new ATOM 0 HG2 GLN A 29 9.231 11.353 -2.472 1.00 0.54 H new ATOM 0 HG3 GLN A 29 9.321 10.001 -3.583 1.00 0.54 H new ATOM 0 HE21 GLN A 29 6.969 9.026 -4.133 1.00 2.80 H new ATOM 0 HE22 GLN A 29 5.738 10.248 -4.467 1.00 2.80 H new ATOM 165 N ILE A 30 6.978 8.401 0.898 1.00 0.41 N ATOM 166 CA ILE A 30 5.919 7.533 1.491 1.00 0.42 C ATOM 167 C ILE A 30 5.014 8.402 2.360 1.00 0.53 C ATOM 168 O ILE A 30 3.827 8.169 2.465 1.00 0.61 O ATOM 169 CB ILE A 30 6.546 6.444 2.359 1.00 0.39 C ATOM 170 CG1 ILE A 30 7.536 5.609 1.519 1.00 0.31 C ATOM 171 CG2 ILE A 30 5.442 5.554 2.931 1.00 0.45 C ATOM 172 CD1 ILE A 30 6.800 4.532 0.712 1.00 0.61 C ATOM 0 H ILE A 30 7.932 8.194 1.195 1.00 0.41 H new ATOM 0 HA ILE A 30 5.349 7.060 0.691 1.00 0.42 H new ATOM 0 HB ILE A 30 7.094 6.901 3.183 1.00 0.39 H new ATOM 0 HG12 ILE A 30 8.086 6.263 0.842 1.00 0.31 H new ATOM 0 HG13 ILE A 30 8.269 5.140 2.175 1.00 0.31 H new ATOM 0 HG21 ILE A 30 5.887 4.776 3.551 1.00 0.45 H new ATOM 0 HG22 ILE A 30 4.765 6.157 3.536 1.00 0.45 H new ATOM 0 HG23 ILE A 30 4.886 5.094 2.114 1.00 0.45 H new ATOM 0 HD11 ILE A 30 7.520 3.958 0.129 1.00 0.61 H new ATOM 0 HD12 ILE A 30 6.271 3.865 1.393 1.00 0.61 H new ATOM 0 HD13 ILE A 30 6.085 5.006 0.040 1.00 0.61 H new ATOM 184 N ARG A 31 5.565 9.412 2.978 1.00 0.52 N ATOM 185 CA ARG A 31 4.735 10.302 3.825 1.00 0.63 C ATOM 186 C ARG A 31 3.667 10.939 2.940 1.00 0.63 C ATOM 187 O ARG A 31 2.565 11.220 3.371 1.00 0.68 O ATOM 188 CB ARG A 31 5.621 11.384 4.439 1.00 0.73 C ATOM 189 CG ARG A 31 4.763 12.332 5.267 1.00 0.48 C ATOM 190 CD ARG A 31 5.034 12.100 6.754 1.00 2.05 C ATOM 191 NE ARG A 31 4.496 13.246 7.541 1.00 1.99 N ATOM 192 CZ ARG A 31 4.516 13.209 8.846 1.00 3.09 C ATOM 193 NH1 ARG A 31 5.652 13.102 9.478 1.00 3.64 N ATOM 194 NH2 ARG A 31 3.400 13.279 9.518 1.00 3.87 N ATOM 0 H ARG A 31 6.554 9.655 2.930 1.00 0.52 H new ATOM 0 HA ARG A 31 4.262 9.738 4.629 1.00 0.63 H new ATOM 0 HB2 ARG A 31 6.388 10.929 5.066 1.00 0.73 H new ATOM 0 HB3 ARG A 31 6.137 11.936 3.653 1.00 0.73 H new ATOM 0 HG2 ARG A 31 4.986 13.366 5.003 1.00 0.48 H new ATOM 0 HG3 ARG A 31 3.708 12.168 5.049 1.00 0.48 H new ATOM 0 HD2 ARG A 31 4.567 11.170 7.079 1.00 2.05 H new ATOM 0 HD3 ARG A 31 6.105 11.996 6.928 1.00 2.05 H new ATOM 0 HE ARG A 31 4.112 14.059 7.060 1.00 1.99 H new ATOM 0 HH11 ARG A 31 6.525 13.047 8.953 1.00 3.64 H new ATOM 0 HH12 ARG A 31 5.668 13.073 10.497 1.00 3.64 H new ATOM 0 HH21 ARG A 31 2.512 13.363 9.024 1.00 3.87 H new ATOM 0 HH22 ARG A 31 3.416 13.250 10.537 1.00 3.87 H new ATOM 208 N TYR A 32 3.982 11.139 1.689 1.00 0.60 N ATOM 209 CA TYR A 32 2.990 11.725 0.754 1.00 0.64 C ATOM 210 C TYR A 32 1.959 10.644 0.442 1.00 0.58 C ATOM 211 O TYR A 32 0.797 10.916 0.219 1.00 0.51 O ATOM 212 CB TYR A 32 3.695 12.153 -0.536 1.00 0.65 C ATOM 213 CG TYR A 32 3.091 13.439 -1.041 1.00 0.74 C ATOM 214 CD1 TYR A 32 1.753 13.470 -1.455 1.00 0.90 C ATOM 215 CD2 TYR A 32 3.868 14.601 -1.099 1.00 1.43 C ATOM 216 CE1 TYR A 32 1.194 14.663 -1.924 1.00 0.97 C ATOM 217 CE2 TYR A 32 3.309 15.795 -1.569 1.00 1.49 C ATOM 218 CZ TYR A 32 1.971 15.826 -1.981 1.00 0.92 C ATOM 219 OH TYR A 32 1.418 17.002 -2.447 1.00 1.01 O ATOM 0 H TYR A 32 4.889 10.920 1.276 1.00 0.60 H new ATOM 0 HA TYR A 32 2.510 12.598 1.196 1.00 0.64 H new ATOM 0 HB2 TYR A 32 4.761 12.288 -0.352 1.00 0.65 H new ATOM 0 HB3 TYR A 32 3.598 11.373 -1.291 1.00 0.65 H new ATOM 0 HD1 TYR A 32 1.153 12.573 -1.412 1.00 0.90 H new ATOM 0 HD2 TYR A 32 4.900 14.577 -0.781 1.00 1.43 H new ATOM 0 HE1 TYR A 32 0.162 14.687 -2.242 1.00 0.97 H new ATOM 0 HE2 TYR A 32 3.909 16.692 -1.614 1.00 1.49 H new ATOM 0 HH TYR A 32 2.092 17.713 -2.420 1.00 1.01 H new ATOM 229 N ILE A 33 2.389 9.409 0.441 1.00 0.62 N ATOM 230 CA ILE A 33 1.451 8.289 0.163 1.00 0.58 C ATOM 231 C ILE A 33 0.382 8.250 1.255 1.00 0.63 C ATOM 232 O ILE A 33 -0.782 8.035 0.988 1.00 0.68 O ATOM 233 CB ILE A 33 2.220 6.966 0.150 1.00 0.45 C ATOM 234 CG1 ILE A 33 3.380 7.057 -0.845 1.00 0.50 C ATOM 235 CG2 ILE A 33 1.280 5.832 -0.267 1.00 0.28 C ATOM 236 CD1 ILE A 33 2.836 7.371 -2.241 1.00 2.24 C ATOM 0 H ILE A 33 3.353 9.130 0.622 1.00 0.62 H new ATOM 0 HA ILE A 33 0.979 8.438 -0.808 1.00 0.58 H new ATOM 0 HB ILE A 33 2.612 6.766 1.147 1.00 0.45 H new ATOM 0 HG12 ILE A 33 4.080 7.833 -0.533 1.00 0.50 H new ATOM 0 HG13 ILE A 33 3.932 6.118 -0.862 1.00 0.50 H new ATOM 0 HG21 ILE A 33 1.828 4.890 -0.276 1.00 0.28 H new ATOM 0 HG22 ILE A 33 0.454 5.765 0.441 1.00 0.28 H new ATOM 0 HG23 ILE A 33 0.887 6.033 -1.264 1.00 0.28 H new ATOM 0 HD11 ILE A 33 3.663 7.435 -2.948 1.00 2.24 H new ATOM 0 HD12 ILE A 33 2.154 6.580 -2.552 1.00 2.24 H new ATOM 0 HD13 ILE A 33 2.303 8.322 -2.219 1.00 2.24 H new ATOM 248 N LEU A 34 0.770 8.464 2.483 1.00 0.62 N ATOM 249 CA LEU A 34 -0.223 8.445 3.595 1.00 0.68 C ATOM 250 C LEU A 34 -1.205 9.601 3.411 1.00 0.69 C ATOM 251 O LEU A 34 -2.405 9.411 3.403 1.00 0.64 O ATOM 252 CB LEU A 34 0.504 8.612 4.932 1.00 0.64 C ATOM 253 CG LEU A 34 0.797 7.240 5.537 1.00 0.75 C ATOM 254 CD1 LEU A 34 2.277 6.905 5.347 1.00 1.19 C ATOM 255 CD2 LEU A 34 0.466 7.262 7.032 1.00 0.62 C ATOM 0 H LEU A 34 1.732 8.651 2.764 1.00 0.62 H new ATOM 0 HA LEU A 34 -0.761 7.497 3.587 1.00 0.68 H new ATOM 0 HB2 LEU A 34 1.434 9.161 4.784 1.00 0.64 H new ATOM 0 HB3 LEU A 34 -0.107 9.199 5.618 1.00 0.64 H new ATOM 0 HG LEU A 34 0.187 6.485 5.040 1.00 0.75 H new ATOM 0 HD11 LEU A 34 2.487 5.926 5.778 1.00 1.19 H new ATOM 0 HD12 LEU A 34 2.513 6.891 4.283 1.00 1.19 H new ATOM 0 HD13 LEU A 34 2.887 7.659 5.844 1.00 1.19 H new ATOM 0 HD21 LEU A 34 0.674 6.284 7.465 1.00 0.62 H new ATOM 0 HD22 LEU A 34 1.076 8.016 7.529 1.00 0.62 H new ATOM 0 HD23 LEU A 34 -0.589 7.502 7.168 1.00 0.62 H new ATOM 267 N ASP A 35 -0.707 10.800 3.253 1.00 0.81 N ATOM 268 CA ASP A 35 -1.617 11.965 3.059 1.00 0.85 C ATOM 269 C ASP A 35 -2.557 11.661 1.895 1.00 0.70 C ATOM 270 O ASP A 35 -3.671 12.144 1.833 1.00 0.63 O ATOM 271 CB ASP A 35 -0.792 13.213 2.743 1.00 1.02 C ATOM 272 CG ASP A 35 -0.218 13.786 4.040 1.00 1.66 C ATOM 273 OD1 ASP A 35 0.274 13.009 4.842 1.00 2.60 O ATOM 274 OD2 ASP A 35 -0.280 14.993 4.210 1.00 1.60 O ATOM 0 H ASP A 35 0.289 11.021 3.250 1.00 0.81 H new ATOM 0 HA ASP A 35 -2.195 12.143 3.966 1.00 0.85 H new ATOM 0 HB2 ASP A 35 0.015 12.964 2.054 1.00 1.02 H new ATOM 0 HB3 ASP A 35 -1.415 13.958 2.248 1.00 1.02 H new ATOM 279 N GLY A 36 -2.117 10.842 0.980 1.00 0.68 N ATOM 280 CA GLY A 36 -2.980 10.478 -0.171 1.00 0.61 C ATOM 281 C GLY A 36 -4.136 9.625 0.341 1.00 0.44 C ATOM 282 O GLY A 36 -5.280 9.853 0.015 1.00 0.32 O ATOM 0 H GLY A 36 -1.193 10.409 0.983 1.00 0.68 H new ATOM 0 HA2 GLY A 36 -3.359 11.376 -0.659 1.00 0.61 H new ATOM 0 HA3 GLY A 36 -2.405 9.929 -0.917 1.00 0.61 H new ATOM 286 N ILE A 37 -3.838 8.643 1.147 1.00 0.49 N ATOM 287 CA ILE A 37 -4.910 7.764 1.691 1.00 0.37 C ATOM 288 C ILE A 37 -5.904 8.587 2.503 1.00 0.30 C ATOM 289 O ILE A 37 -7.011 8.154 2.755 1.00 0.26 O ATOM 290 CB ILE A 37 -4.296 6.687 2.589 1.00 0.50 C ATOM 291 CG1 ILE A 37 -3.104 6.026 1.884 1.00 0.53 C ATOM 292 CG2 ILE A 37 -5.356 5.628 2.893 1.00 0.47 C ATOM 293 CD1 ILE A 37 -3.489 5.634 0.453 1.00 0.42 C ATOM 0 H ILE A 37 -2.893 8.411 1.453 1.00 0.49 H new ATOM 0 HA ILE A 37 -5.429 7.292 0.857 1.00 0.37 H new ATOM 0 HB ILE A 37 -3.949 7.146 3.515 1.00 0.50 H new ATOM 0 HG12 ILE A 37 -2.257 6.711 1.866 1.00 0.53 H new ATOM 0 HG13 ILE A 37 -2.788 5.143 2.439 1.00 0.53 H new ATOM 0 HG21 ILE A 37 -4.927 4.857 3.532 1.00 0.47 H new ATOM 0 HG22 ILE A 37 -6.200 6.094 3.402 1.00 0.47 H new ATOM 0 HG23 ILE A 37 -5.698 5.178 1.961 1.00 0.47 H new ATOM 0 HD11 ILE A 37 -2.636 5.166 -0.038 1.00 0.42 H new ATOM 0 HD12 ILE A 37 -4.322 4.932 0.480 1.00 0.42 H new ATOM 0 HD13 ILE A 37 -3.783 6.525 -0.102 1.00 0.42 H new ATOM 305 N SER A 38 -5.537 9.772 2.902 1.00 0.28 N ATOM 306 CA SER A 38 -6.491 10.605 3.672 1.00 0.23 C ATOM 307 C SER A 38 -7.576 11.039 2.702 1.00 0.07 C ATOM 308 O SER A 38 -8.748 11.043 3.013 1.00 0.18 O ATOM 309 CB SER A 38 -5.771 11.829 4.240 1.00 0.27 C ATOM 310 OG SER A 38 -6.675 12.575 5.045 1.00 1.21 O ATOM 0 H SER A 38 -4.625 10.194 2.729 1.00 0.28 H new ATOM 0 HA SER A 38 -6.916 10.049 4.507 1.00 0.23 H new ATOM 0 HB2 SER A 38 -4.911 11.517 4.833 1.00 0.27 H new ATOM 0 HB3 SER A 38 -5.391 12.450 3.429 1.00 0.27 H new ATOM 0 HG SER A 38 -6.216 13.359 5.412 1.00 1.21 H new ATOM 316 N ALA A 39 -7.183 11.374 1.508 1.00 0.12 N ATOM 317 CA ALA A 39 -8.175 11.784 0.491 1.00 0.20 C ATOM 318 C ALA A 39 -8.778 10.532 -0.156 1.00 0.24 C ATOM 319 O ALA A 39 -9.810 10.593 -0.795 1.00 0.34 O ATOM 320 CB ALA A 39 -7.492 12.639 -0.577 1.00 0.33 C ATOM 0 H ALA A 39 -6.212 11.380 1.195 1.00 0.12 H new ATOM 0 HA ALA A 39 -8.965 12.368 0.963 1.00 0.20 H new ATOM 0 HB1 ALA A 39 -8.225 12.940 -1.326 1.00 0.33 H new ATOM 0 HB2 ALA A 39 -7.062 13.526 -0.113 1.00 0.33 H new ATOM 0 HB3 ALA A 39 -6.701 12.061 -1.055 1.00 0.33 H new ATOM 326 N LEU A 40 -8.150 9.393 0.008 1.00 0.18 N ATOM 327 CA LEU A 40 -8.706 8.154 -0.599 1.00 0.23 C ATOM 328 C LEU A 40 -9.585 7.425 0.418 1.00 0.34 C ATOM 329 O LEU A 40 -10.293 6.502 0.077 1.00 0.51 O ATOM 330 CB LEU A 40 -7.575 7.211 -1.041 1.00 0.15 C ATOM 331 CG LEU A 40 -6.616 7.894 -2.033 1.00 0.36 C ATOM 332 CD1 LEU A 40 -5.892 6.820 -2.840 1.00 0.72 C ATOM 333 CD2 LEU A 40 -7.379 8.804 -3.001 1.00 0.50 C ATOM 0 H LEU A 40 -7.283 9.273 0.532 1.00 0.18 H new ATOM 0 HA LEU A 40 -9.298 8.439 -1.469 1.00 0.23 H new ATOM 0 HB2 LEU A 40 -7.016 6.878 -0.166 1.00 0.15 H new ATOM 0 HB3 LEU A 40 -8.003 6.322 -1.503 1.00 0.15 H new ATOM 0 HG LEU A 40 -5.908 8.500 -1.468 1.00 0.36 H new ATOM 0 HD11 LEU A 40 -5.210 7.293 -3.546 1.00 0.72 H new ATOM 0 HD12 LEU A 40 -5.327 6.177 -2.165 1.00 0.72 H new ATOM 0 HD13 LEU A 40 -6.621 6.221 -3.386 1.00 0.72 H new ATOM 0 HD21 LEU A 40 -6.676 9.273 -3.690 1.00 0.50 H new ATOM 0 HD22 LEU A 40 -8.100 8.212 -3.565 1.00 0.50 H new ATOM 0 HD23 LEU A 40 -7.904 9.575 -2.438 1.00 0.50 H new ATOM 345 N ARG A 41 -9.550 7.822 1.661 1.00 0.32 N ATOM 346 CA ARG A 41 -10.391 7.133 2.674 1.00 0.52 C ATOM 347 C ARG A 41 -11.259 8.150 3.420 1.00 0.54 C ATOM 348 O ARG A 41 -12.022 7.795 4.296 1.00 0.68 O ATOM 349 CB ARG A 41 -9.501 6.399 3.675 1.00 0.62 C ATOM 350 CG ARG A 41 -10.377 5.527 4.571 1.00 0.83 C ATOM 351 CD ARG A 41 -9.499 4.539 5.340 1.00 1.06 C ATOM 352 NE ARG A 41 -9.352 4.995 6.749 1.00 0.61 N ATOM 353 CZ ARG A 41 -10.020 4.401 7.700 1.00 1.52 C ATOM 354 NH1 ARG A 41 -11.276 4.696 7.900 1.00 2.65 N ATOM 355 NH2 ARG A 41 -9.432 3.508 8.449 1.00 1.81 N ATOM 0 H ARG A 41 -8.978 8.589 2.015 1.00 0.32 H new ATOM 0 HA ARG A 41 -11.035 6.417 2.164 1.00 0.52 H new ATOM 0 HB2 ARG A 41 -8.770 5.784 3.149 1.00 0.62 H new ATOM 0 HB3 ARG A 41 -8.941 7.115 4.277 1.00 0.62 H new ATOM 0 HG2 ARG A 41 -10.937 6.151 5.268 1.00 0.83 H new ATOM 0 HG3 ARG A 41 -11.108 4.987 3.969 1.00 0.83 H new ATOM 0 HD2 ARG A 41 -9.944 3.544 5.313 1.00 1.06 H new ATOM 0 HD3 ARG A 41 -8.520 4.463 4.868 1.00 1.06 H new ATOM 0 HE ARG A 41 -8.729 5.772 6.971 1.00 0.61 H new ATOM 0 HH11 ARG A 41 -11.736 5.391 7.313 1.00 2.65 H new ATOM 0 HH12 ARG A 41 -11.797 4.231 8.644 1.00 2.65 H new ATOM 0 HH21 ARG A 41 -8.452 3.275 8.291 1.00 1.81 H new ATOM 0 HH22 ARG A 41 -9.953 3.043 9.193 1.00 1.81 H new ATOM 369 N LYS A 42 -11.164 9.408 3.081 1.00 0.43 N ATOM 370 CA LYS A 42 -11.999 10.420 3.774 1.00 0.51 C ATOM 371 C LYS A 42 -13.382 10.414 3.142 1.00 0.69 C ATOM 372 O LYS A 42 -14.384 10.429 3.820 1.00 0.78 O ATOM 373 CB LYS A 42 -11.362 11.802 3.605 1.00 0.45 C ATOM 374 CG LYS A 42 -12.273 12.877 4.208 1.00 0.93 C ATOM 375 CD LYS A 42 -11.834 14.254 3.708 1.00 1.51 C ATOM 376 CE LYS A 42 -12.430 15.336 4.609 1.00 1.77 C ATOM 377 NZ LYS A 42 -11.336 16.208 5.123 1.00 1.72 N ATOM 0 H LYS A 42 -10.546 9.773 2.357 1.00 0.43 H new ATOM 0 HA LYS A 42 -12.073 10.188 4.836 1.00 0.51 H new ATOM 0 HB2 LYS A 42 -10.387 11.824 4.093 1.00 0.45 H new ATOM 0 HB3 LYS A 42 -11.194 12.007 2.548 1.00 0.45 H new ATOM 0 HG2 LYS A 42 -13.310 12.690 3.928 1.00 0.93 H new ATOM 0 HG3 LYS A 42 -12.225 12.841 5.296 1.00 0.93 H new ATOM 0 HD2 LYS A 42 -10.746 14.323 3.709 1.00 1.51 H new ATOM 0 HD3 LYS A 42 -12.162 14.401 2.679 1.00 1.51 H new ATOM 0 HE2 LYS A 42 -13.153 15.931 4.052 1.00 1.77 H new ATOM 0 HE3 LYS A 42 -12.966 14.878 5.440 1.00 1.77 H new ATOM 0 HZ1 LYS A 42 -11.739 16.945 5.736 1.00 1.72 H new ATOM 0 HZ2 LYS A 42 -10.662 15.634 5.668 1.00 1.72 H new ATOM 0 HZ3 LYS A 42 -10.843 16.654 4.323 1.00 1.72 H new ATOM 391 N GLU A 43 -13.444 10.384 1.846 1.00 0.77 N ATOM 392 CA GLU A 43 -14.763 10.373 1.183 1.00 0.95 C ATOM 393 C GLU A 43 -15.262 8.935 1.113 1.00 1.08 C ATOM 394 O GLU A 43 -16.387 8.633 1.487 1.00 1.15 O ATOM 395 CB GLU A 43 -14.630 10.941 -0.232 1.00 1.04 C ATOM 396 CG GLU A 43 -14.937 12.441 -0.208 1.00 1.95 C ATOM 397 CD GLU A 43 -16.164 12.725 -1.077 1.00 1.71 C ATOM 398 OE1 GLU A 43 -16.112 12.422 -2.258 1.00 1.94 O ATOM 399 OE2 GLU A 43 -17.133 13.242 -0.547 1.00 2.09 O ATOM 0 H GLU A 43 -12.638 10.367 1.221 1.00 0.77 H new ATOM 0 HA GLU A 43 -15.468 10.984 1.746 1.00 0.95 H new ATOM 0 HB2 GLU A 43 -13.622 10.771 -0.611 1.00 1.04 H new ATOM 0 HB3 GLU A 43 -15.315 10.429 -0.907 1.00 1.04 H new ATOM 0 HG2 GLU A 43 -15.119 12.769 0.815 1.00 1.95 H new ATOM 0 HG3 GLU A 43 -14.079 13.004 -0.576 1.00 1.95 H new ATOM 406 N THR A 44 -14.427 8.049 0.632 1.00 1.11 N ATOM 407 CA THR A 44 -14.826 6.625 0.509 1.00 1.26 C ATOM 408 C THR A 44 -14.563 5.871 1.833 1.00 1.19 C ATOM 409 O THR A 44 -13.903 4.859 1.879 1.00 1.19 O ATOM 410 CB THR A 44 -14.075 6.006 -0.699 1.00 1.47 C ATOM 411 OG1 THR A 44 -14.861 4.968 -1.264 1.00 2.16 O ATOM 412 CG2 THR A 44 -12.702 5.448 -0.300 1.00 1.00 C ATOM 0 H THR A 44 -13.479 8.259 0.318 1.00 1.11 H new ATOM 0 HA THR A 44 -15.897 6.540 0.323 1.00 1.26 H new ATOM 0 HB THR A 44 -13.912 6.799 -1.429 1.00 1.47 H new ATOM 0 HG1 THR A 44 -14.387 4.578 -2.028 1.00 2.16 H new ATOM 0 HG21 THR A 44 -12.212 5.025 -1.177 1.00 1.00 H new ATOM 0 HG22 THR A 44 -12.087 6.251 0.107 1.00 1.00 H new ATOM 0 HG23 THR A 44 -12.830 4.671 0.454 1.00 1.00 H new ATOM 420 N CYS A 45 -15.117 6.359 2.909 1.00 1.18 N ATOM 421 CA CYS A 45 -14.955 5.689 4.229 1.00 1.16 C ATOM 422 C CYS A 45 -15.629 6.566 5.279 1.00 0.97 C ATOM 423 O CYS A 45 -16.273 6.070 6.184 1.00 0.94 O ATOM 424 CB CYS A 45 -13.472 5.447 4.548 1.00 1.20 C ATOM 425 SG CYS A 45 -13.217 3.682 4.930 1.00 1.96 S ATOM 0 H CYS A 45 -15.684 7.207 2.929 1.00 1.18 H new ATOM 0 HA CYS A 45 -15.425 4.706 4.218 1.00 1.16 H new ATOM 0 HB2 CYS A 45 -12.853 5.740 3.700 1.00 1.20 H new ATOM 0 HB3 CYS A 45 -13.165 6.062 5.394 1.00 1.20 H new ATOM 0 HG CYS A 45 -14.002 2.959 4.187 1.00 1.96 H new ATOM 430 N ASN A 46 -15.570 7.867 5.128 1.00 0.92 N ATOM 431 CA ASN A 46 -16.306 8.730 6.086 1.00 0.85 C ATOM 432 C ASN A 46 -17.774 8.586 5.703 1.00 0.90 C ATOM 433 O ASN A 46 -18.635 8.383 6.537 1.00 1.00 O ATOM 434 CB ASN A 46 -15.870 10.190 5.957 1.00 0.86 C ATOM 435 CG ASN A 46 -16.427 10.994 7.133 1.00 0.85 C ATOM 436 OD1 ASN A 46 -15.958 10.871 8.246 1.00 0.78 O ATOM 437 ND2 ASN A 46 -17.416 11.822 6.930 1.00 1.79 N ATOM 0 H ASN A 46 -15.053 8.355 4.396 1.00 0.92 H new ATOM 0 HA ASN A 46 -16.114 8.436 7.118 1.00 0.85 H new ATOM 0 HB2 ASN A 46 -14.782 10.256 5.940 1.00 0.86 H new ATOM 0 HB3 ASN A 46 -16.229 10.606 5.016 1.00 0.86 H new ATOM 0 HD21 ASN A 46 -17.794 12.365 7.706 1.00 1.79 H new ATOM 0 HD22 ASN A 46 -17.810 11.926 5.995 1.00 1.79 H new ATOM 444 N LYS A 47 -18.051 8.624 4.418 1.00 0.85 N ATOM 445 CA LYS A 47 -19.446 8.415 3.950 1.00 0.90 C ATOM 446 C LYS A 47 -19.634 6.924 3.653 1.00 0.78 C ATOM 447 O LYS A 47 -20.589 6.520 3.021 1.00 0.80 O ATOM 448 CB LYS A 47 -19.700 9.239 2.685 1.00 0.91 C ATOM 449 CG LYS A 47 -20.287 10.600 3.072 1.00 1.35 C ATOM 450 CD LYS A 47 -20.778 11.323 1.816 1.00 1.93 C ATOM 451 CE LYS A 47 -21.879 12.314 2.197 1.00 2.18 C ATOM 452 NZ LYS A 47 -22.178 13.195 1.033 1.00 2.94 N ATOM 0 H LYS A 47 -17.367 8.791 3.680 1.00 0.85 H new ATOM 0 HA LYS A 47 -20.152 8.735 4.716 1.00 0.90 H new ATOM 0 HB2 LYS A 47 -18.769 9.376 2.134 1.00 0.91 H new ATOM 0 HB3 LYS A 47 -20.387 8.709 2.025 1.00 0.91 H new ATOM 0 HG2 LYS A 47 -21.111 10.466 3.772 1.00 1.35 H new ATOM 0 HG3 LYS A 47 -19.533 11.202 3.579 1.00 1.35 H new ATOM 0 HD2 LYS A 47 -19.951 11.848 1.338 1.00 1.93 H new ATOM 0 HD3 LYS A 47 -21.158 10.601 1.093 1.00 1.93 H new ATOM 0 HE2 LYS A 47 -22.778 11.777 2.501 1.00 2.18 H new ATOM 0 HE3 LYS A 47 -21.563 12.915 3.050 1.00 2.18 H new ATOM 0 HZ1 LYS A 47 -22.927 13.869 1.291 1.00 2.94 H new ATOM 0 HZ2 LYS A 47 -21.320 13.717 0.763 1.00 2.94 H new ATOM 0 HZ3 LYS A 47 -22.497 12.614 0.231 1.00 2.94 H new ATOM 466 N SER A 48 -18.722 6.102 4.113 1.00 0.68 N ATOM 467 CA SER A 48 -18.828 4.645 3.871 1.00 0.63 C ATOM 468 C SER A 48 -18.313 3.904 5.101 1.00 1.02 C ATOM 469 O SER A 48 -17.134 3.650 5.226 1.00 2.09 O ATOM 470 CB SER A 48 -17.979 4.266 2.662 1.00 1.35 C ATOM 471 OG SER A 48 -18.095 5.280 1.674 1.00 2.66 O ATOM 0 H SER A 48 -17.904 6.390 4.650 1.00 0.68 H new ATOM 0 HA SER A 48 -19.867 4.376 3.681 1.00 0.63 H new ATOM 0 HB2 SER A 48 -16.937 4.147 2.957 1.00 1.35 H new ATOM 0 HB3 SER A 48 -18.307 3.308 2.258 1.00 1.35 H new ATOM 0 HG SER A 48 -17.550 5.042 0.895 1.00 2.66 H new ATOM 477 N ASN A 49 -19.192 3.564 6.014 1.00 0.70 N ATOM 478 CA ASN A 49 -18.778 2.843 7.265 1.00 1.68 C ATOM 479 C ASN A 49 -17.683 1.806 6.976 1.00 1.78 C ATOM 480 O ASN A 49 -16.846 1.527 7.812 1.00 2.94 O ATOM 481 CB ASN A 49 -19.999 2.148 7.870 1.00 2.31 C ATOM 482 CG ASN A 49 -20.583 3.020 8.982 1.00 3.10 C ATOM 483 OD1 ASN A 49 -21.505 3.777 8.754 1.00 2.48 O ATOM 484 ND2 ASN A 49 -20.085 2.947 10.187 1.00 4.64 N ATOM 0 H ASN A 49 -20.191 3.757 5.946 1.00 0.70 H new ATOM 0 HA ASN A 49 -18.373 3.572 7.967 1.00 1.68 H new ATOM 0 HB2 ASN A 49 -20.749 1.972 7.099 1.00 2.31 H new ATOM 0 HB3 ASN A 49 -19.716 1.174 8.268 1.00 2.31 H new ATOM 0 HD21 ASN A 49 -20.470 3.525 10.934 1.00 4.64 H new ATOM 0 HD22 ASN A 49 -19.311 2.312 10.381 1.00 4.64 H new ATOM 491 N MET A 50 -17.661 1.265 5.793 1.00 0.98 N ATOM 492 CA MET A 50 -16.600 0.285 5.443 1.00 1.52 C ATOM 493 C MET A 50 -15.552 1.020 4.613 1.00 2.53 C ATOM 494 O MET A 50 -14.376 1.003 4.918 1.00 2.44 O ATOM 495 CB MET A 50 -17.195 -0.858 4.611 1.00 0.86 C ATOM 496 CG MET A 50 -16.986 -2.190 5.334 1.00 1.11 C ATOM 497 SD MET A 50 -16.766 -3.511 4.115 1.00 1.88 S ATOM 498 CE MET A 50 -18.489 -3.614 3.568 1.00 0.32 C ATOM 0 H MET A 50 -18.334 1.460 5.051 1.00 0.98 H new ATOM 0 HA MET A 50 -16.159 -0.136 6.347 1.00 1.52 H new ATOM 0 HB2 MET A 50 -18.259 -0.685 4.448 1.00 0.86 H new ATOM 0 HB3 MET A 50 -16.723 -0.889 3.629 1.00 0.86 H new ATOM 0 HG2 MET A 50 -16.112 -2.130 5.983 1.00 1.11 H new ATOM 0 HG3 MET A 50 -17.843 -2.408 5.972 1.00 1.11 H new ATOM 0 HE1 MET A 50 -18.579 -4.371 2.788 1.00 0.32 H new ATOM 0 HE2 MET A 50 -19.123 -3.886 4.412 1.00 0.32 H new ATOM 0 HE3 MET A 50 -18.804 -2.648 3.174 1.00 0.32 H new ATOM 660 N ASN A 62 -10.754 -9.356 5.601 1.00 0.67 N ATOM 661 CA ASN A 62 -9.349 -9.046 5.212 1.00 0.49 C ATOM 662 C ASN A 62 -9.194 -9.319 3.719 1.00 0.82 C ATOM 663 O ASN A 62 -10.162 -9.486 3.004 1.00 2.14 O ATOM 664 CB ASN A 62 -8.371 -9.939 5.990 1.00 0.55 C ATOM 665 CG ASN A 62 -7.635 -9.104 7.040 1.00 1.30 C ATOM 666 OD1 ASN A 62 -7.579 -7.895 6.943 1.00 2.01 O ATOM 667 ND2 ASN A 62 -7.066 -9.704 8.050 1.00 1.76 N ATOM 0 HA ASN A 62 -9.129 -8.003 5.439 1.00 0.49 H new ATOM 0 HB2 ASN A 62 -8.912 -10.753 6.472 1.00 0.55 H new ATOM 0 HB3 ASN A 62 -7.655 -10.394 5.305 1.00 0.55 H new ATOM 0 HD21 ASN A 62 -6.575 -9.157 8.757 1.00 1.76 H new ATOM 0 HD22 ASN A 62 -7.113 -10.720 8.132 1.00 1.76 H new ATOM 674 N LEU A 63 -7.988 -9.372 3.244 1.00 0.61 N ATOM 675 CA LEU A 63 -7.767 -9.644 1.801 1.00 0.48 C ATOM 676 C LEU A 63 -6.563 -10.580 1.663 1.00 0.68 C ATOM 677 O LEU A 63 -6.335 -11.418 2.515 1.00 0.95 O ATOM 678 CB LEU A 63 -7.513 -8.319 1.089 1.00 0.36 C ATOM 679 CG LEU A 63 -8.720 -7.401 1.286 1.00 0.65 C ATOM 680 CD1 LEU A 63 -8.402 -6.012 0.729 1.00 0.54 C ATOM 681 CD2 LEU A 63 -9.928 -7.987 0.548 1.00 1.37 C ATOM 0 H LEU A 63 -7.140 -9.238 3.795 1.00 0.61 H new ATOM 0 HA LEU A 63 -8.638 -10.121 1.352 1.00 0.48 H new ATOM 0 HB2 LEU A 63 -6.614 -7.847 1.485 1.00 0.36 H new ATOM 0 HB3 LEU A 63 -7.342 -8.491 0.026 1.00 0.36 H new ATOM 0 HG LEU A 63 -8.948 -7.319 2.349 1.00 0.65 H new ATOM 0 HD11 LEU A 63 -9.263 -5.358 0.870 1.00 0.54 H new ATOM 0 HD12 LEU A 63 -7.542 -5.598 1.254 1.00 0.54 H new ATOM 0 HD13 LEU A 63 -8.175 -6.090 -0.334 1.00 0.54 H new ATOM 0 HD21 LEU A 63 -10.790 -7.335 0.686 1.00 1.37 H new ATOM 0 HD22 LEU A 63 -9.701 -8.068 -0.515 1.00 1.37 H new ATOM 0 HD23 LEU A 63 -10.153 -8.976 0.947 1.00 1.37 H new ATOM 693 N ASN A 64 -5.794 -10.468 0.615 1.00 0.60 N ATOM 694 CA ASN A 64 -4.627 -11.384 0.473 1.00 0.83 C ATOM 695 C ASN A 64 -3.369 -10.594 0.110 1.00 0.76 C ATOM 696 O ASN A 64 -2.494 -11.088 -0.574 1.00 0.86 O ATOM 697 CB ASN A 64 -4.916 -12.416 -0.619 1.00 0.98 C ATOM 698 CG ASN A 64 -4.343 -13.773 -0.207 1.00 1.23 C ATOM 699 OD1 ASN A 64 -3.927 -13.954 0.920 1.00 1.51 O ATOM 700 ND2 ASN A 64 -4.303 -14.742 -1.081 1.00 1.75 N ATOM 0 H ASN A 64 -5.920 -9.793 -0.139 1.00 0.60 H new ATOM 0 HA ASN A 64 -4.461 -11.891 1.423 1.00 0.83 H new ATOM 0 HB2 ASN A 64 -5.991 -12.498 -0.781 1.00 0.98 H new ATOM 0 HB3 ASN A 64 -4.475 -12.095 -1.563 1.00 0.98 H new ATOM 0 HD21 ASN A 64 -3.923 -15.651 -0.818 1.00 1.75 H new ATOM 0 HD22 ASN A 64 -4.652 -14.590 -2.027 1.00 1.75 H new ATOM 707 N LEU A 65 -3.258 -9.380 0.572 1.00 0.61 N ATOM 708 CA LEU A 65 -2.041 -8.583 0.258 1.00 0.56 C ATOM 709 C LEU A 65 -0.992 -8.838 1.354 1.00 0.86 C ATOM 710 O LEU A 65 -1.338 -9.282 2.431 1.00 1.68 O ATOM 711 CB LEU A 65 -2.401 -7.097 0.192 1.00 0.34 C ATOM 712 CG LEU A 65 -2.910 -6.614 1.549 1.00 0.63 C ATOM 713 CD1 LEU A 65 -2.376 -5.204 1.809 1.00 0.67 C ATOM 714 CD2 LEU A 65 -4.440 -6.582 1.534 1.00 0.70 C ATOM 0 H LEU A 65 -3.953 -8.908 1.150 1.00 0.61 H new ATOM 0 HA LEU A 65 -1.634 -8.879 -0.709 1.00 0.56 H new ATOM 0 HB2 LEU A 65 -1.527 -6.517 -0.104 1.00 0.34 H new ATOM 0 HB3 LEU A 65 -3.164 -6.934 -0.569 1.00 0.34 H new ATOM 0 HG LEU A 65 -2.568 -7.289 2.334 1.00 0.63 H new ATOM 0 HD11 LEU A 65 -2.735 -4.852 2.776 1.00 0.67 H new ATOM 0 HD12 LEU A 65 -1.286 -5.222 1.811 1.00 0.67 H new ATOM 0 HD13 LEU A 65 -2.726 -4.532 1.025 1.00 0.67 H new ATOM 0 HD21 LEU A 65 -4.806 -6.238 2.501 1.00 0.70 H new ATOM 0 HD22 LEU A 65 -4.782 -5.902 0.754 1.00 0.70 H new ATOM 0 HD23 LEU A 65 -4.823 -7.583 1.337 1.00 0.70 H new ATOM 726 N PRO A 66 0.261 -8.575 1.053 1.00 1.73 N ATOM 727 CA PRO A 66 1.360 -8.800 2.013 1.00 1.92 C ATOM 728 C PRO A 66 1.408 -7.698 3.077 1.00 0.98 C ATOM 729 O PRO A 66 0.953 -6.592 2.866 1.00 2.03 O ATOM 730 CB PRO A 66 2.615 -8.771 1.136 1.00 3.68 C ATOM 731 CG PRO A 66 2.238 -7.984 -0.142 1.00 4.43 C ATOM 732 CD PRO A 66 0.703 -8.031 -0.252 1.00 3.23 C ATOM 0 HA PRO A 66 1.248 -9.732 2.567 1.00 1.92 H new ATOM 0 HB2 PRO A 66 3.442 -8.290 1.658 1.00 3.68 H new ATOM 0 HB3 PRO A 66 2.939 -9.782 0.888 1.00 3.68 H new ATOM 0 HG2 PRO A 66 2.591 -6.954 -0.081 1.00 4.43 H new ATOM 0 HG3 PRO A 66 2.703 -8.428 -1.022 1.00 4.43 H new ATOM 0 HD2 PRO A 66 0.286 -7.040 -0.432 1.00 3.23 H new ATOM 0 HD3 PRO A 66 0.382 -8.666 -1.077 1.00 3.23 H new ATOM 740 N LYS A 67 1.963 -8.002 4.225 1.00 0.33 N ATOM 741 CA LYS A 67 2.051 -6.985 5.313 1.00 1.49 C ATOM 742 C LYS A 67 3.331 -7.216 6.129 1.00 0.87 C ATOM 743 O LYS A 67 4.174 -8.014 5.770 1.00 0.68 O ATOM 744 CB LYS A 67 0.829 -7.109 6.230 1.00 2.96 C ATOM 745 CG LYS A 67 0.834 -8.477 6.920 1.00 3.60 C ATOM 746 CD LYS A 67 -0.602 -8.992 7.046 1.00 4.67 C ATOM 747 CE LYS A 67 -0.638 -10.169 8.025 1.00 5.39 C ATOM 748 NZ LYS A 67 -1.689 -9.928 9.055 1.00 6.81 N ATOM 0 H LYS A 67 2.359 -8.914 4.454 1.00 0.33 H new ATOM 0 HA LYS A 67 2.076 -5.987 4.875 1.00 1.49 H new ATOM 0 HB2 LYS A 67 0.841 -6.315 6.977 1.00 2.96 H new ATOM 0 HB3 LYS A 67 -0.086 -6.987 5.650 1.00 2.96 H new ATOM 0 HG2 LYS A 67 1.435 -9.183 6.347 1.00 3.60 H new ATOM 0 HG3 LYS A 67 1.290 -8.397 7.907 1.00 3.60 H new ATOM 0 HD2 LYS A 67 -1.257 -8.194 7.396 1.00 4.67 H new ATOM 0 HD3 LYS A 67 -0.974 -9.305 6.071 1.00 4.67 H new ATOM 0 HE2 LYS A 67 -0.845 -11.095 7.489 1.00 5.39 H new ATOM 0 HE3 LYS A 67 0.334 -10.288 8.503 1.00 5.39 H new ATOM 0 HZ1 LYS A 67 -1.713 -10.727 9.720 1.00 6.81 H new ATOM 0 HZ2 LYS A 67 -1.473 -9.053 9.574 1.00 6.81 H new ATOM 0 HZ3 LYS A 67 -2.615 -9.835 8.591 1.00 6.81 H new ATOM 762 N MET A 68 3.479 -6.522 7.226 1.00 1.11 N ATOM 763 CA MET A 68 4.699 -6.696 8.073 1.00 0.63 C ATOM 764 C MET A 68 4.363 -7.598 9.262 1.00 0.39 C ATOM 765 O MET A 68 3.438 -8.385 9.211 1.00 0.49 O ATOM 766 CB MET A 68 5.156 -5.328 8.582 1.00 1.12 C ATOM 767 CG MET A 68 5.169 -4.330 7.421 1.00 0.78 C ATOM 768 SD MET A 68 6.847 -3.690 7.181 1.00 0.83 S ATOM 769 CE MET A 68 6.386 -1.978 6.819 1.00 0.88 C ATOM 0 H MET A 68 2.806 -5.839 7.575 1.00 1.11 H new ATOM 0 HA MET A 68 5.496 -7.152 7.485 1.00 0.63 H new ATOM 0 HB2 MET A 68 4.487 -4.979 9.368 1.00 1.12 H new ATOM 0 HB3 MET A 68 6.151 -5.405 9.021 1.00 1.12 H new ATOM 0 HG2 MET A 68 4.821 -4.815 6.509 1.00 0.78 H new ATOM 0 HG3 MET A 68 4.483 -3.509 7.628 1.00 0.78 H new ATOM 0 HE1 MET A 68 7.271 -1.420 6.514 1.00 0.88 H new ATOM 0 HE2 MET A 68 5.651 -1.962 6.014 1.00 0.88 H new ATOM 0 HE3 MET A 68 5.958 -1.520 7.711 1.00 0.88 H new ATOM 779 N ALA A 69 5.103 -7.495 10.337 1.00 0.62 N ATOM 780 CA ALA A 69 4.804 -8.359 11.516 1.00 0.51 C ATOM 781 C ALA A 69 5.620 -7.895 12.732 1.00 0.89 C ATOM 782 O ALA A 69 5.186 -7.048 13.488 1.00 2.25 O ATOM 783 CB ALA A 69 5.148 -9.812 11.179 1.00 0.65 C ATOM 0 H ALA A 69 5.892 -6.858 10.448 1.00 0.62 H new ATOM 0 HA ALA A 69 3.744 -8.284 11.759 1.00 0.51 H new ATOM 0 HB1 ALA A 69 4.931 -10.446 12.039 1.00 0.65 H new ATOM 0 HB2 ALA A 69 4.552 -10.139 10.327 1.00 0.65 H new ATOM 0 HB3 ALA A 69 6.207 -9.887 10.931 1.00 0.65 H new ATOM 789 N GLU A 70 6.792 -8.441 12.936 1.00 0.58 N ATOM 790 CA GLU A 70 7.613 -8.024 14.109 1.00 0.62 C ATOM 791 C GLU A 70 9.017 -8.610 13.981 1.00 1.09 C ATOM 792 O GLU A 70 10.001 -7.959 14.271 1.00 1.33 O ATOM 793 CB GLU A 70 6.961 -8.537 15.396 1.00 0.51 C ATOM 794 CG GLU A 70 6.763 -10.051 15.299 1.00 1.15 C ATOM 795 CD GLU A 70 5.556 -10.465 16.144 1.00 1.57 C ATOM 796 OE1 GLU A 70 4.491 -9.906 15.936 1.00 1.88 O ATOM 797 OE2 GLU A 70 5.715 -11.334 16.985 1.00 2.66 O ATOM 0 H GLU A 70 7.213 -9.155 12.342 1.00 0.58 H new ATOM 0 HA GLU A 70 7.675 -6.936 14.142 1.00 0.62 H new ATOM 0 HB2 GLU A 70 7.587 -8.296 16.255 1.00 0.51 H new ATOM 0 HB3 GLU A 70 6.002 -8.043 15.552 1.00 0.51 H new ATOM 0 HG2 GLU A 70 6.610 -10.342 14.260 1.00 1.15 H new ATOM 0 HG3 GLU A 70 7.658 -10.568 15.646 1.00 1.15 H new ATOM 804 N LYS A 71 9.118 -9.835 13.548 1.00 1.33 N ATOM 805 CA LYS A 71 10.457 -10.463 13.401 1.00 1.79 C ATOM 806 C LYS A 71 10.997 -10.192 11.991 1.00 1.40 C ATOM 807 O LYS A 71 12.186 -10.247 11.749 1.00 1.55 O ATOM 808 CB LYS A 71 10.338 -11.971 13.638 1.00 2.43 C ATOM 809 CG LYS A 71 9.501 -12.612 12.524 1.00 1.15 C ATOM 810 CD LYS A 71 10.358 -13.628 11.763 1.00 2.09 C ATOM 811 CE LYS A 71 10.422 -14.940 12.551 1.00 3.00 C ATOM 812 NZ LYS A 71 11.367 -15.876 11.877 1.00 4.17 N ATOM 0 H LYS A 71 8.329 -10.428 13.290 1.00 1.33 H new ATOM 0 HA LYS A 71 11.145 -10.039 14.132 1.00 1.79 H new ATOM 0 HB2 LYS A 71 11.330 -12.423 13.665 1.00 2.43 H new ATOM 0 HB3 LYS A 71 9.875 -12.160 14.607 1.00 2.43 H new ATOM 0 HG2 LYS A 71 8.626 -13.104 12.949 1.00 1.15 H new ATOM 0 HG3 LYS A 71 9.135 -11.845 11.842 1.00 1.15 H new ATOM 0 HD2 LYS A 71 9.936 -13.806 10.774 1.00 2.09 H new ATOM 0 HD3 LYS A 71 11.363 -13.232 11.614 1.00 2.09 H new ATOM 0 HE2 LYS A 71 10.750 -14.748 13.573 1.00 3.00 H new ATOM 0 HE3 LYS A 71 9.431 -15.389 12.613 1.00 3.00 H new ATOM 0 HZ1 LYS A 71 11.412 -16.768 12.410 1.00 4.17 H new ATOM 0 HZ2 LYS A 71 11.036 -16.067 10.910 1.00 4.17 H new ATOM 0 HZ3 LYS A 71 12.314 -15.447 11.840 1.00 4.17 H new ATOM 826 N ASP A 72 10.127 -9.900 11.062 1.00 1.03 N ATOM 827 CA ASP A 72 10.583 -9.624 9.671 1.00 0.85 C ATOM 828 C ASP A 72 9.669 -8.580 9.034 1.00 1.27 C ATOM 829 O ASP A 72 9.213 -8.742 7.920 1.00 2.53 O ATOM 830 CB ASP A 72 10.514 -10.910 8.847 1.00 2.66 C ATOM 831 CG ASP A 72 11.819 -11.693 9.002 1.00 3.99 C ATOM 832 OD1 ASP A 72 12.790 -11.109 9.455 1.00 4.02 O ATOM 833 OD2 ASP A 72 11.827 -12.865 8.662 1.00 5.34 O ATOM 0 H ASP A 72 9.119 -9.841 11.207 1.00 1.03 H new ATOM 0 HA ASP A 72 11.608 -9.254 9.695 1.00 0.85 H new ATOM 0 HB2 ASP A 72 9.672 -11.519 9.176 1.00 2.66 H new ATOM 0 HB3 ASP A 72 10.344 -10.672 7.797 1.00 2.66 H new ATOM 838 N GLY A 73 9.388 -7.514 9.729 1.00 1.58 N ATOM 839 CA GLY A 73 8.496 -6.478 9.146 1.00 3.51 C ATOM 840 C GLY A 73 8.751 -5.125 9.812 1.00 2.96 C ATOM 841 O GLY A 73 7.830 -4.399 10.133 1.00 4.51 O ATOM 0 H GLY A 73 9.735 -7.317 10.668 1.00 1.58 H new ATOM 0 HA2 GLY A 73 8.669 -6.401 8.073 1.00 3.51 H new ATOM 0 HA3 GLY A 73 7.454 -6.767 9.281 1.00 3.51 H new ATOM 845 N CYS A 74 9.989 -4.773 10.011 1.00 1.10 N ATOM 846 CA CYS A 74 10.299 -3.457 10.638 1.00 0.36 C ATOM 847 C CYS A 74 9.694 -3.376 12.039 1.00 0.64 C ATOM 848 O CYS A 74 8.548 -3.017 12.208 1.00 1.41 O ATOM 849 CB CYS A 74 9.711 -2.343 9.770 1.00 0.86 C ATOM 850 SG CYS A 74 10.302 -2.526 8.068 1.00 0.69 S ATOM 0 H CYS A 74 10.801 -5.339 9.767 1.00 1.10 H new ATOM 0 HA CYS A 74 11.380 -3.346 10.716 1.00 0.36 H new ATOM 0 HB2 CYS A 74 8.622 -2.385 9.794 1.00 0.86 H new ATOM 0 HB3 CYS A 74 10.001 -1.369 10.164 1.00 0.86 H new ATOM 855 N PHE A 75 10.465 -3.693 13.045 1.00 0.20 N ATOM 856 CA PHE A 75 9.946 -3.624 14.439 1.00 0.58 C ATOM 857 C PHE A 75 11.107 -3.787 15.421 1.00 0.53 C ATOM 858 O PHE A 75 12.183 -4.221 15.057 1.00 0.53 O ATOM 859 CB PHE A 75 8.918 -4.734 14.659 1.00 1.00 C ATOM 860 CG PHE A 75 7.540 -4.203 14.341 1.00 0.79 C ATOM 861 CD1 PHE A 75 7.040 -3.100 15.043 1.00 1.17 C ATOM 862 CD2 PHE A 75 6.767 -4.806 13.340 1.00 1.22 C ATOM 863 CE1 PHE A 75 5.765 -2.602 14.747 1.00 1.70 C ATOM 864 CE2 PHE A 75 5.492 -4.308 13.045 1.00 1.15 C ATOM 865 CZ PHE A 75 4.992 -3.206 13.749 1.00 1.40 C ATOM 0 H PHE A 75 11.435 -3.998 12.959 1.00 0.20 H new ATOM 0 HA PHE A 75 9.468 -2.658 14.604 1.00 0.58 H new ATOM 0 HB2 PHE A 75 9.147 -5.590 14.024 1.00 1.00 H new ATOM 0 HB3 PHE A 75 8.957 -5.084 15.691 1.00 1.00 H new ATOM 0 HD1 PHE A 75 7.637 -2.633 15.812 1.00 1.17 H new ATOM 0 HD2 PHE A 75 7.154 -5.655 12.796 1.00 1.22 H new ATOM 0 HE1 PHE A 75 5.378 -1.752 15.289 1.00 1.70 H new ATOM 0 HE2 PHE A 75 4.895 -4.774 12.275 1.00 1.15 H new ATOM 0 HZ PHE A 75 4.009 -2.822 13.522 1.00 1.40 H new ATOM 875 N GLN A 76 10.906 -3.435 16.661 1.00 0.79 N ATOM 876 CA GLN A 76 12.006 -3.563 17.658 1.00 0.81 C ATOM 877 C GLN A 76 12.487 -5.015 17.721 1.00 0.64 C ATOM 878 O GLN A 76 13.668 -5.281 17.819 1.00 0.43 O ATOM 879 CB GLN A 76 11.502 -3.129 19.035 1.00 1.21 C ATOM 880 CG GLN A 76 12.511 -2.165 19.663 1.00 1.08 C ATOM 881 CD GLN A 76 11.826 -1.350 20.761 1.00 1.74 C ATOM 882 OE1 GLN A 76 10.627 -1.158 20.731 1.00 2.59 O ATOM 883 NE2 GLN A 76 12.542 -0.858 21.735 1.00 1.78 N ATOM 0 H GLN A 76 10.029 -3.065 17.027 1.00 0.79 H new ATOM 0 HA GLN A 76 12.837 -2.925 17.357 1.00 0.81 H new ATOM 0 HB2 GLN A 76 10.529 -2.646 18.943 1.00 1.21 H new ATOM 0 HB3 GLN A 76 11.366 -4.000 19.676 1.00 1.21 H new ATOM 0 HG2 GLN A 76 13.351 -2.722 20.079 1.00 1.08 H new ATOM 0 HG3 GLN A 76 12.916 -1.499 18.901 1.00 1.08 H new ATOM 0 HE21 GLN A 76 13.549 -1.019 21.760 1.00 1.78 H new ATOM 0 HE22 GLN A 76 12.095 -0.312 22.471 1.00 1.78 H new ATOM 892 N SER A 77 11.585 -5.957 17.666 1.00 0.84 N ATOM 893 CA SER A 77 11.999 -7.390 17.724 1.00 0.94 C ATOM 894 C SER A 77 13.054 -7.661 16.648 1.00 0.58 C ATOM 895 O SER A 77 12.736 -7.866 15.493 1.00 0.94 O ATOM 896 CB SER A 77 10.783 -8.284 17.479 1.00 1.34 C ATOM 897 OG SER A 77 11.005 -9.553 18.079 1.00 2.25 O ATOM 0 H SER A 77 10.581 -5.798 17.584 1.00 0.84 H new ATOM 0 HA SER A 77 12.417 -7.606 18.707 1.00 0.94 H new ATOM 0 HB2 SER A 77 9.888 -7.823 17.897 1.00 1.34 H new ATOM 0 HB3 SER A 77 10.612 -8.400 16.409 1.00 1.34 H new ATOM 0 HG SER A 77 10.227 -10.128 17.925 1.00 2.25 H new ATOM 903 N GLY A 78 14.309 -7.658 17.013 1.00 0.74 N ATOM 904 CA GLY A 78 15.382 -7.911 16.007 1.00 0.77 C ATOM 905 C GLY A 78 15.200 -6.962 14.821 1.00 0.61 C ATOM 906 O GLY A 78 14.956 -7.382 13.707 1.00 0.56 O ATOM 0 H GLY A 78 14.637 -7.491 17.964 1.00 0.74 H new ATOM 0 HA2 GLY A 78 16.362 -7.762 16.459 1.00 0.77 H new ATOM 0 HA3 GLY A 78 15.341 -8.946 15.668 1.00 0.77 H new ATOM 910 N PHE A 79 15.309 -5.684 15.054 1.00 0.58 N ATOM 911 CA PHE A 79 15.134 -4.704 13.947 1.00 0.54 C ATOM 912 C PHE A 79 16.145 -4.992 12.836 1.00 0.40 C ATOM 913 O PHE A 79 17.332 -5.100 13.072 1.00 0.38 O ATOM 914 CB PHE A 79 15.356 -3.288 14.483 1.00 0.58 C ATOM 915 CG PHE A 79 14.987 -2.282 13.420 1.00 0.70 C ATOM 916 CD1 PHE A 79 13.639 -2.013 13.148 1.00 1.28 C ATOM 917 CD2 PHE A 79 15.991 -1.615 12.711 1.00 0.32 C ATOM 918 CE1 PHE A 79 13.299 -1.078 12.163 1.00 1.49 C ATOM 919 CE2 PHE A 79 15.651 -0.681 11.725 1.00 0.53 C ATOM 920 CZ PHE A 79 14.304 -0.411 11.453 1.00 1.13 C ATOM 0 H PHE A 79 15.512 -5.275 15.966 1.00 0.58 H new ATOM 0 HA PHE A 79 14.124 -4.790 13.545 1.00 0.54 H new ATOM 0 HB2 PHE A 79 14.752 -3.127 15.376 1.00 0.58 H new ATOM 0 HB3 PHE A 79 16.398 -3.158 14.775 1.00 0.58 H new ATOM 0 HD1 PHE A 79 12.864 -2.526 13.697 1.00 1.28 H new ATOM 0 HD2 PHE A 79 17.030 -1.821 12.924 1.00 0.32 H new ATOM 0 HE1 PHE A 79 12.260 -0.871 11.951 1.00 1.49 H new ATOM 0 HE2 PHE A 79 16.427 -0.169 11.175 1.00 0.53 H new ATOM 0 HZ PHE A 79 14.041 0.312 10.695 1.00 1.13 H new ATOM 930 N ASN A 80 15.682 -5.113 11.622 1.00 0.45 N ATOM 931 CA ASN A 80 16.608 -5.388 10.489 1.00 0.47 C ATOM 932 C ASN A 80 16.650 -4.165 9.571 1.00 0.68 C ATOM 933 O ASN A 80 16.124 -3.120 9.895 1.00 1.48 O ATOM 934 CB ASN A 80 16.110 -6.605 9.703 1.00 0.47 C ATOM 935 CG ASN A 80 14.600 -6.488 9.479 1.00 2.91 C ATOM 936 OD1 ASN A 80 14.153 -5.700 8.669 1.00 4.33 O ATOM 937 ND2 ASN A 80 13.790 -7.245 10.168 1.00 3.69 N ATOM 0 H ASN A 80 14.698 -5.033 11.366 1.00 0.45 H new ATOM 0 HA ASN A 80 17.608 -5.594 10.872 1.00 0.47 H new ATOM 0 HB2 ASN A 80 16.626 -6.668 8.745 1.00 0.47 H new ATOM 0 HB3 ASN A 80 16.337 -7.521 10.249 1.00 0.47 H new ATOM 0 HD21 ASN A 80 12.782 -7.175 10.026 1.00 3.69 H new ATOM 0 HD22 ASN A 80 14.165 -7.907 10.848 1.00 3.69 H new ATOM 944 N GLU A 81 17.270 -4.282 8.429 1.00 0.14 N ATOM 945 CA GLU A 81 17.337 -3.118 7.502 1.00 0.21 C ATOM 946 C GLU A 81 17.096 -3.592 6.066 1.00 0.24 C ATOM 947 O GLU A 81 16.151 -3.187 5.421 1.00 0.23 O ATOM 948 CB GLU A 81 18.715 -2.461 7.606 1.00 0.37 C ATOM 949 CG GLU A 81 18.918 -1.922 9.025 1.00 0.28 C ATOM 950 CD GLU A 81 20.383 -1.524 9.221 1.00 0.31 C ATOM 951 OE1 GLU A 81 21.195 -1.884 8.384 1.00 0.29 O ATOM 952 OE2 GLU A 81 20.668 -0.866 10.209 1.00 0.79 O ATOM 0 H GLU A 81 17.731 -5.130 8.099 1.00 0.14 H new ATOM 0 HA GLU A 81 16.571 -2.392 7.774 1.00 0.21 H new ATOM 0 HB2 GLU A 81 19.494 -3.185 7.366 1.00 0.37 H new ATOM 0 HB3 GLU A 81 18.799 -1.650 6.882 1.00 0.37 H new ATOM 0 HG2 GLU A 81 18.272 -1.061 9.193 1.00 0.28 H new ATOM 0 HG3 GLU A 81 18.636 -2.680 9.756 1.00 0.28 H new ATOM 959 N GLU A 82 17.942 -4.446 5.561 1.00 0.28 N ATOM 960 CA GLU A 82 17.759 -4.944 4.169 1.00 0.31 C ATOM 961 C GLU A 82 16.460 -5.752 4.076 1.00 0.39 C ATOM 962 O GLU A 82 15.883 -5.887 3.018 1.00 0.45 O ATOM 963 CB GLU A 82 18.943 -5.836 3.792 1.00 0.25 C ATOM 964 CG GLU A 82 19.711 -5.206 2.629 1.00 1.25 C ATOM 965 CD GLU A 82 21.209 -5.449 2.816 1.00 2.67 C ATOM 966 OE1 GLU A 82 21.689 -5.248 3.919 1.00 3.78 O ATOM 967 OE2 GLU A 82 21.853 -5.832 1.853 1.00 2.73 O ATOM 0 H GLU A 82 18.753 -4.821 6.053 1.00 0.28 H new ATOM 0 HA GLU A 82 17.705 -4.097 3.485 1.00 0.31 H new ATOM 0 HB2 GLU A 82 19.603 -5.963 4.650 1.00 0.25 H new ATOM 0 HB3 GLU A 82 18.589 -6.828 3.512 1.00 0.25 H new ATOM 0 HG2 GLU A 82 19.377 -5.635 1.684 1.00 1.25 H new ATOM 0 HG3 GLU A 82 19.508 -4.136 2.583 1.00 1.25 H new ATOM 974 N THR A 83 15.985 -6.284 5.172 1.00 0.39 N ATOM 975 CA THR A 83 14.719 -7.069 5.119 1.00 0.48 C ATOM 976 C THR A 83 13.542 -6.094 5.102 1.00 0.56 C ATOM 977 O THR A 83 12.494 -6.378 4.560 1.00 0.56 O ATOM 978 CB THR A 83 14.618 -7.988 6.342 1.00 0.49 C ATOM 979 OG1 THR A 83 15.652 -8.963 6.286 1.00 0.53 O ATOM 980 CG2 THR A 83 13.256 -8.688 6.349 1.00 0.76 C ATOM 0 H THR A 83 16.416 -6.209 6.094 1.00 0.39 H new ATOM 0 HA THR A 83 14.704 -7.686 4.221 1.00 0.48 H new ATOM 0 HB THR A 83 14.723 -7.395 7.251 1.00 0.49 H new ATOM 0 HG1 THR A 83 15.590 -9.551 7.068 1.00 0.53 H new ATOM 0 HG21 THR A 83 13.187 -9.341 7.219 1.00 0.76 H new ATOM 0 HG22 THR A 83 12.463 -7.941 6.392 1.00 0.76 H new ATOM 0 HG23 THR A 83 13.147 -9.281 5.441 1.00 0.76 H new ATOM 988 N CYS A 84 13.714 -4.938 5.680 1.00 0.66 N ATOM 989 CA CYS A 84 12.612 -3.942 5.680 1.00 0.76 C ATOM 990 C CYS A 84 12.481 -3.377 4.272 1.00 0.70 C ATOM 991 O CYS A 84 11.469 -3.519 3.613 1.00 0.63 O ATOM 992 CB CYS A 84 12.952 -2.806 6.644 1.00 0.91 C ATOM 993 SG CYS A 84 12.215 -3.147 8.257 1.00 0.83 S ATOM 0 H CYS A 84 14.569 -4.642 6.151 1.00 0.66 H new ATOM 0 HA CYS A 84 11.680 -4.413 5.992 1.00 0.76 H new ATOM 0 HB2 CYS A 84 14.033 -2.707 6.740 1.00 0.91 H new ATOM 0 HB3 CYS A 84 12.578 -1.859 6.254 1.00 0.91 H new ATOM 998 N LEU A 85 13.520 -2.747 3.810 1.00 0.75 N ATOM 999 CA LEU A 85 13.524 -2.161 2.446 1.00 0.71 C ATOM 1000 C LEU A 85 13.077 -3.218 1.430 1.00 0.63 C ATOM 1001 O LEU A 85 12.295 -2.943 0.540 1.00 0.60 O ATOM 1002 CB LEU A 85 14.955 -1.727 2.133 1.00 0.64 C ATOM 1003 CG LEU A 85 14.959 -0.551 1.164 1.00 0.75 C ATOM 1004 CD1 LEU A 85 14.456 0.704 1.880 1.00 0.82 C ATOM 1005 CD2 LEU A 85 16.392 -0.326 0.680 1.00 0.67 C ATOM 0 H LEU A 85 14.385 -2.611 4.332 1.00 0.75 H new ATOM 0 HA LEU A 85 12.843 -1.312 2.392 1.00 0.71 H new ATOM 0 HB2 LEU A 85 15.466 -1.448 3.054 1.00 0.64 H new ATOM 0 HB3 LEU A 85 15.508 -2.562 1.702 1.00 0.64 H new ATOM 0 HG LEU A 85 14.307 -0.762 0.316 1.00 0.75 H new ATOM 0 HD11 LEU A 85 14.459 1.545 1.186 1.00 0.82 H new ATOM 0 HD12 LEU A 85 13.441 0.535 2.241 1.00 0.82 H new ATOM 0 HD13 LEU A 85 15.109 0.928 2.724 1.00 0.82 H new ATOM 0 HD21 LEU A 85 16.414 0.513 -0.015 1.00 0.67 H new ATOM 0 HD22 LEU A 85 17.034 -0.107 1.533 1.00 0.67 H new ATOM 0 HD23 LEU A 85 16.751 -1.224 0.177 1.00 0.67 H new ATOM 1017 N VAL A 86 13.569 -4.423 1.554 1.00 0.62 N ATOM 1018 CA VAL A 86 13.174 -5.490 0.591 1.00 0.55 C ATOM 1019 C VAL A 86 11.660 -5.717 0.683 1.00 0.50 C ATOM 1020 O VAL A 86 10.980 -5.845 -0.319 1.00 0.39 O ATOM 1021 CB VAL A 86 13.939 -6.786 0.915 1.00 0.59 C ATOM 1022 CG1 VAL A 86 13.347 -7.968 0.136 1.00 0.55 C ATOM 1023 CG2 VAL A 86 15.408 -6.620 0.512 1.00 0.65 C ATOM 0 H VAL A 86 14.225 -4.713 2.279 1.00 0.62 H new ATOM 0 HA VAL A 86 13.424 -5.186 -0.426 1.00 0.55 H new ATOM 0 HB VAL A 86 13.856 -6.982 1.984 1.00 0.59 H new ATOM 0 HG11 VAL A 86 13.900 -8.876 0.377 1.00 0.55 H new ATOM 0 HG12 VAL A 86 12.300 -8.097 0.411 1.00 0.55 H new ATOM 0 HG13 VAL A 86 13.420 -7.772 -0.934 1.00 0.55 H new ATOM 0 HG21 VAL A 86 15.954 -7.536 0.740 1.00 0.65 H new ATOM 0 HG22 VAL A 86 15.471 -6.416 -0.557 1.00 0.65 H new ATOM 0 HG23 VAL A 86 15.846 -5.790 1.066 1.00 0.65 H new ATOM 1033 N LYS A 87 11.122 -5.758 1.872 1.00 0.60 N ATOM 1034 CA LYS A 87 9.655 -5.962 2.009 1.00 0.56 C ATOM 1035 C LYS A 87 8.932 -4.752 1.415 1.00 0.56 C ATOM 1036 O LYS A 87 7.780 -4.829 1.041 1.00 0.49 O ATOM 1037 CB LYS A 87 9.282 -6.106 3.486 1.00 0.63 C ATOM 1038 CG LYS A 87 7.824 -6.556 3.600 1.00 1.58 C ATOM 1039 CD LYS A 87 7.643 -7.893 2.879 1.00 1.49 C ATOM 1040 CE LYS A 87 6.889 -8.865 3.787 1.00 1.83 C ATOM 1041 NZ LYS A 87 6.021 -9.749 2.958 1.00 2.61 N ATOM 0 H LYS A 87 11.633 -5.659 2.749 1.00 0.60 H new ATOM 0 HA LYS A 87 9.361 -6.870 1.481 1.00 0.56 H new ATOM 0 HB2 LYS A 87 9.937 -6.831 3.969 1.00 0.63 H new ATOM 0 HB3 LYS A 87 9.423 -5.156 4.002 1.00 0.63 H new ATOM 0 HG2 LYS A 87 7.544 -6.656 4.649 1.00 1.58 H new ATOM 0 HG3 LYS A 87 7.166 -5.804 3.165 1.00 1.58 H new ATOM 0 HD2 LYS A 87 7.092 -7.745 1.950 1.00 1.49 H new ATOM 0 HD3 LYS A 87 8.615 -8.308 2.611 1.00 1.49 H new ATOM 0 HE2 LYS A 87 7.595 -9.465 4.361 1.00 1.83 H new ATOM 0 HE3 LYS A 87 6.283 -8.313 4.505 1.00 1.83 H new ATOM 0 HZ1 LYS A 87 5.508 -10.410 3.576 1.00 2.61 H new ATOM 0 HZ2 LYS A 87 5.339 -9.169 2.430 1.00 2.61 H new ATOM 0 HZ3 LYS A 87 6.610 -10.286 2.290 1.00 2.61 H new ATOM 1055 N ILE A 88 9.605 -3.638 1.314 1.00 0.65 N ATOM 1056 CA ILE A 88 8.963 -2.431 0.727 1.00 0.69 C ATOM 1057 C ILE A 88 8.923 -2.597 -0.791 1.00 0.59 C ATOM 1058 O ILE A 88 8.069 -2.057 -1.462 1.00 0.66 O ATOM 1059 CB ILE A 88 9.784 -1.186 1.082 1.00 0.85 C ATOM 1060 CG1 ILE A 88 9.804 -0.990 2.607 1.00 0.87 C ATOM 1061 CG2 ILE A 88 9.175 0.046 0.402 1.00 0.86 C ATOM 1062 CD1 ILE A 88 8.423 -0.554 3.107 1.00 0.83 C ATOM 0 H ILE A 88 10.572 -3.513 1.613 1.00 0.65 H new ATOM 0 HA ILE A 88 7.953 -2.315 1.121 1.00 0.69 H new ATOM 0 HB ILE A 88 10.807 -1.318 0.730 1.00 0.85 H new ATOM 0 HG12 ILE A 88 10.098 -1.919 3.096 1.00 0.87 H new ATOM 0 HG13 ILE A 88 10.548 -0.240 2.874 1.00 0.87 H new ATOM 0 HG21 ILE A 88 9.761 0.929 0.657 1.00 0.86 H new ATOM 0 HG22 ILE A 88 9.181 -0.095 -0.679 1.00 0.86 H new ATOM 0 HG23 ILE A 88 8.149 0.181 0.744 1.00 0.86 H new ATOM 0 HD11 ILE A 88 8.453 -0.419 4.188 1.00 0.83 H new ATOM 0 HD12 ILE A 88 8.144 0.387 2.632 1.00 0.83 H new ATOM 0 HD13 ILE A 88 7.687 -1.319 2.857 1.00 0.83 H new ATOM 1074 N ILE A 89 9.845 -3.343 -1.336 1.00 0.47 N ATOM 1075 CA ILE A 89 9.854 -3.548 -2.810 1.00 0.45 C ATOM 1076 C ILE A 89 8.724 -4.509 -3.190 1.00 0.36 C ATOM 1077 O ILE A 89 7.792 -4.138 -3.871 1.00 0.31 O ATOM 1078 CB ILE A 89 11.199 -4.134 -3.243 1.00 0.46 C ATOM 1079 CG1 ILE A 89 12.334 -3.293 -2.656 1.00 0.41 C ATOM 1080 CG2 ILE A 89 11.297 -4.119 -4.769 1.00 0.48 C ATOM 1081 CD1 ILE A 89 12.223 -1.855 -3.169 1.00 1.54 C ATOM 0 H ILE A 89 10.590 -3.817 -0.825 1.00 0.47 H new ATOM 0 HA ILE A 89 9.706 -2.592 -3.313 1.00 0.45 H new ATOM 0 HB ILE A 89 11.279 -5.160 -2.883 1.00 0.46 H new ATOM 0 HG12 ILE A 89 12.285 -3.307 -1.567 1.00 0.41 H new ATOM 0 HG13 ILE A 89 13.298 -3.717 -2.937 1.00 0.41 H new ATOM 0 HG21 ILE A 89 12.256 -4.537 -5.076 1.00 0.48 H new ATOM 0 HG22 ILE A 89 10.489 -4.716 -5.191 1.00 0.48 H new ATOM 0 HG23 ILE A 89 11.216 -3.093 -5.129 1.00 0.48 H new ATOM 0 HD11 ILE A 89 13.032 -1.256 -2.751 1.00 1.54 H new ATOM 0 HD12 ILE A 89 12.293 -1.850 -4.257 1.00 1.54 H new ATOM 0 HD13 ILE A 89 11.265 -1.433 -2.865 1.00 1.54 H new ATOM 1093 N THR A 90 8.788 -5.739 -2.745 1.00 0.35 N ATOM 1094 CA THR A 90 7.698 -6.704 -3.084 1.00 0.30 C ATOM 1095 C THR A 90 6.433 -6.335 -2.308 1.00 0.15 C ATOM 1096 O THR A 90 5.347 -6.776 -2.628 1.00 0.20 O ATOM 1097 CB THR A 90 8.117 -8.131 -2.721 1.00 0.53 C ATOM 1098 OG1 THR A 90 7.047 -9.021 -3.006 1.00 1.56 O ATOM 1099 CG2 THR A 90 8.458 -8.209 -1.236 1.00 0.73 C ATOM 0 H THR A 90 9.540 -6.114 -2.167 1.00 0.35 H new ATOM 0 HA THR A 90 7.504 -6.654 -4.155 1.00 0.30 H new ATOM 0 HB THR A 90 8.994 -8.409 -3.306 1.00 0.53 H new ATOM 0 HG1 THR A 90 6.203 -8.523 -3.023 1.00 1.56 H new ATOM 0 HG21 THR A 90 8.755 -9.227 -0.984 1.00 0.73 H new ATOM 0 HG22 THR A 90 9.278 -7.526 -1.015 1.00 0.73 H new ATOM 0 HG23 THR A 90 7.584 -7.930 -0.647 1.00 0.73 H new ATOM 1107 N GLY A 91 6.561 -5.523 -1.294 1.00 0.22 N ATOM 1108 CA GLY A 91 5.365 -5.123 -0.508 1.00 0.34 C ATOM 1109 C GLY A 91 4.634 -4.007 -1.249 1.00 0.32 C ATOM 1110 O GLY A 91 3.423 -3.914 -1.223 1.00 0.44 O ATOM 0 H GLY A 91 7.443 -5.121 -0.978 1.00 0.22 H new ATOM 0 HA2 GLY A 91 4.704 -5.978 -0.368 1.00 0.34 H new ATOM 0 HA3 GLY A 91 5.663 -4.784 0.484 1.00 0.34 H new ATOM 1114 N LEU A 92 5.368 -3.157 -1.910 1.00 0.24 N ATOM 1115 CA LEU A 92 4.730 -2.038 -2.650 1.00 0.33 C ATOM 1116 C LEU A 92 4.250 -2.523 -4.021 1.00 0.31 C ATOM 1117 O LEU A 92 3.362 -1.942 -4.608 1.00 0.36 O ATOM 1118 CB LEU A 92 5.749 -0.913 -2.843 1.00 0.38 C ATOM 1119 CG LEU A 92 5.905 -0.134 -1.538 1.00 0.49 C ATOM 1120 CD1 LEU A 92 6.963 0.955 -1.720 1.00 0.51 C ATOM 1121 CD2 LEU A 92 4.567 0.507 -1.165 1.00 1.07 C ATOM 0 H LEU A 92 6.386 -3.191 -1.969 1.00 0.24 H new ATOM 0 HA LEU A 92 3.876 -1.673 -2.079 1.00 0.33 H new ATOM 0 HB2 LEU A 92 6.710 -1.327 -3.148 1.00 0.38 H new ATOM 0 HB3 LEU A 92 5.422 -0.245 -3.640 1.00 0.38 H new ATOM 0 HG LEU A 92 6.216 -0.811 -0.743 1.00 0.49 H new ATOM 0 HD11 LEU A 92 7.076 1.512 -0.790 1.00 0.51 H new ATOM 0 HD12 LEU A 92 7.915 0.496 -1.986 1.00 0.51 H new ATOM 0 HD13 LEU A 92 6.653 1.634 -2.514 1.00 0.51 H new ATOM 0 HD21 LEU A 92 4.677 1.063 -0.234 1.00 1.07 H new ATOM 0 HD22 LEU A 92 4.255 1.186 -1.959 1.00 1.07 H new ATOM 0 HD23 LEU A 92 3.814 -0.271 -1.036 1.00 1.07 H new ATOM 1133 N LEU A 93 4.825 -3.580 -4.541 1.00 0.24 N ATOM 1134 CA LEU A 93 4.375 -4.083 -5.874 1.00 0.24 C ATOM 1135 C LEU A 93 2.960 -4.647 -5.721 1.00 0.22 C ATOM 1136 O LEU A 93 2.052 -4.305 -6.461 1.00 0.23 O ATOM 1137 CB LEU A 93 5.329 -5.177 -6.373 1.00 0.18 C ATOM 1138 CG LEU A 93 6.738 -4.599 -6.543 1.00 0.26 C ATOM 1139 CD1 LEU A 93 7.785 -5.706 -6.348 1.00 0.11 C ATOM 1140 CD2 LEU A 93 6.875 -4.011 -7.950 1.00 0.45 C ATOM 0 H LEU A 93 5.579 -4.111 -4.105 1.00 0.24 H new ATOM 0 HA LEU A 93 4.377 -3.271 -6.601 1.00 0.24 H new ATOM 0 HB2 LEU A 93 5.349 -6.006 -5.665 1.00 0.18 H new ATOM 0 HB3 LEU A 93 4.973 -5.577 -7.322 1.00 0.18 H new ATOM 0 HG LEU A 93 6.900 -3.819 -5.799 1.00 0.26 H new ATOM 0 HD11 LEU A 93 8.784 -5.288 -6.470 1.00 0.11 H new ATOM 0 HD12 LEU A 93 7.688 -6.127 -5.347 1.00 0.11 H new ATOM 0 HD13 LEU A 93 7.627 -6.491 -7.088 1.00 0.11 H new ATOM 0 HD21 LEU A 93 7.876 -3.598 -8.076 1.00 0.45 H new ATOM 0 HD22 LEU A 93 6.710 -4.795 -8.689 1.00 0.45 H new ATOM 0 HD23 LEU A 93 6.137 -3.221 -8.088 1.00 0.45 H new ATOM 1152 N GLU A 94 2.753 -5.485 -4.740 1.00 0.21 N ATOM 1153 CA GLU A 94 1.389 -6.030 -4.518 1.00 0.21 C ATOM 1154 C GLU A 94 0.484 -4.847 -4.185 1.00 0.24 C ATOM 1155 O GLU A 94 -0.594 -4.694 -4.724 1.00 0.17 O ATOM 1156 CB GLU A 94 1.407 -7.017 -3.349 1.00 0.19 C ATOM 1157 CG GLU A 94 1.255 -8.444 -3.879 1.00 0.45 C ATOM 1158 CD GLU A 94 -0.230 -8.770 -4.046 1.00 1.37 C ATOM 1159 OE1 GLU A 94 -0.934 -7.956 -4.621 1.00 2.34 O ATOM 1160 OE2 GLU A 94 -0.639 -9.828 -3.595 1.00 1.44 O ATOM 0 H GLU A 94 3.467 -5.812 -4.089 1.00 0.21 H new ATOM 0 HA GLU A 94 1.031 -6.558 -5.402 1.00 0.21 H new ATOM 0 HB2 GLU A 94 2.340 -6.922 -2.794 1.00 0.19 H new ATOM 0 HB3 GLU A 94 0.599 -6.788 -2.654 1.00 0.19 H new ATOM 0 HG2 GLU A 94 1.770 -8.545 -4.834 1.00 0.45 H new ATOM 0 HG3 GLU A 94 1.718 -9.151 -3.190 1.00 0.45 H new ATOM 1167 N PHE A 95 0.946 -3.985 -3.318 1.00 0.35 N ATOM 1168 CA PHE A 95 0.154 -2.779 -2.960 1.00 0.40 C ATOM 1169 C PHE A 95 -0.172 -2.012 -4.242 1.00 0.41 C ATOM 1170 O PHE A 95 -1.148 -1.299 -4.325 1.00 0.44 O ATOM 1171 CB PHE A 95 1.001 -1.873 -2.068 1.00 0.46 C ATOM 1172 CG PHE A 95 0.728 -2.161 -0.619 1.00 0.47 C ATOM 1173 CD1 PHE A 95 -0.586 -2.300 -0.165 1.00 1.03 C ATOM 1174 CD2 PHE A 95 1.796 -2.285 0.273 1.00 1.12 C ATOM 1175 CE1 PHE A 95 -0.832 -2.563 1.182 1.00 1.03 C ATOM 1176 CE2 PHE A 95 1.553 -2.548 1.619 1.00 1.14 C ATOM 1177 CZ PHE A 95 0.236 -2.689 2.078 1.00 0.52 C ATOM 0 H PHE A 95 1.844 -4.068 -2.841 1.00 0.35 H new ATOM 0 HA PHE A 95 -0.759 -3.075 -2.443 1.00 0.40 H new ATOM 0 HB2 PHE A 95 2.059 -2.026 -2.283 1.00 0.46 H new ATOM 0 HB3 PHE A 95 0.780 -0.828 -2.286 1.00 0.46 H new ATOM 0 HD1 PHE A 95 -1.410 -2.204 -0.856 1.00 1.03 H new ATOM 0 HD2 PHE A 95 2.810 -2.177 -0.081 1.00 1.12 H new ATOM 0 HE1 PHE A 95 -1.847 -2.670 1.534 1.00 1.03 H new ATOM 0 HE2 PHE A 95 2.379 -2.643 2.309 1.00 1.14 H new ATOM 0 HZ PHE A 95 0.046 -2.894 3.121 1.00 0.52 H new ATOM 1187 N GLU A 96 0.668 -2.151 -5.232 1.00 0.40 N ATOM 1188 CA GLU A 96 0.457 -1.435 -6.518 1.00 0.43 C ATOM 1189 C GLU A 96 -0.799 -1.964 -7.204 1.00 0.36 C ATOM 1190 O GLU A 96 -1.605 -1.199 -7.682 1.00 0.41 O ATOM 1191 CB GLU A 96 1.667 -1.657 -7.419 1.00 0.47 C ATOM 1192 CG GLU A 96 2.086 -0.332 -8.056 1.00 0.82 C ATOM 1193 CD GLU A 96 2.458 0.668 -6.960 1.00 2.99 C ATOM 1194 OE1 GLU A 96 2.910 0.231 -5.915 1.00 4.49 O ATOM 1195 OE2 GLU A 96 2.286 1.855 -7.184 1.00 3.31 O ATOM 0 H GLU A 96 1.501 -2.738 -5.201 1.00 0.40 H new ATOM 0 HA GLU A 96 0.334 -0.369 -6.326 1.00 0.43 H new ATOM 0 HB2 GLU A 96 2.493 -2.070 -6.840 1.00 0.47 H new ATOM 0 HB3 GLU A 96 1.426 -2.384 -8.194 1.00 0.47 H new ATOM 0 HG2 GLU A 96 2.934 -0.489 -8.722 1.00 0.82 H new ATOM 0 HG3 GLU A 96 1.273 0.065 -8.664 1.00 0.82 H new ATOM 1202 N VAL A 97 -0.980 -3.258 -7.261 1.00 0.27 N ATOM 1203 CA VAL A 97 -2.214 -3.787 -7.922 1.00 0.23 C ATOM 1204 C VAL A 97 -3.436 -3.317 -7.124 1.00 0.19 C ATOM 1205 O VAL A 97 -4.480 -3.017 -7.677 1.00 0.18 O ATOM 1206 CB VAL A 97 -2.175 -5.325 -8.000 1.00 0.18 C ATOM 1207 CG1 VAL A 97 -2.031 -5.939 -6.605 1.00 0.31 C ATOM 1208 CG2 VAL A 97 -3.470 -5.833 -8.637 1.00 0.38 C ATOM 0 H VAL A 97 -0.342 -3.961 -6.887 1.00 0.27 H new ATOM 0 HA VAL A 97 -2.273 -3.408 -8.942 1.00 0.23 H new ATOM 0 HB VAL A 97 -1.316 -5.618 -8.603 1.00 0.18 H new ATOM 0 HG11 VAL A 97 -2.006 -7.026 -6.687 1.00 0.31 H new ATOM 0 HG12 VAL A 97 -1.106 -5.588 -6.147 1.00 0.31 H new ATOM 0 HG13 VAL A 97 -2.878 -5.641 -5.987 1.00 0.31 H new ATOM 0 HG21 VAL A 97 -3.445 -6.921 -8.694 1.00 0.38 H new ATOM 0 HG22 VAL A 97 -4.320 -5.520 -8.031 1.00 0.38 H new ATOM 0 HG23 VAL A 97 -3.568 -5.420 -9.641 1.00 0.38 H new ATOM 1218 N TYR A 98 -3.308 -3.210 -5.827 1.00 0.18 N ATOM 1219 CA TYR A 98 -4.452 -2.721 -5.011 1.00 0.18 C ATOM 1220 C TYR A 98 -4.595 -1.215 -5.258 1.00 0.27 C ATOM 1221 O TYR A 98 -5.662 -0.643 -5.132 1.00 0.26 O ATOM 1222 CB TYR A 98 -4.180 -2.989 -3.531 1.00 0.23 C ATOM 1223 CG TYR A 98 -4.098 -4.481 -3.307 1.00 0.18 C ATOM 1224 CD1 TYR A 98 -5.262 -5.257 -3.336 1.00 0.25 C ATOM 1225 CD2 TYR A 98 -2.857 -5.087 -3.082 1.00 0.13 C ATOM 1226 CE1 TYR A 98 -5.185 -6.641 -3.139 1.00 0.33 C ATOM 1227 CE2 TYR A 98 -2.779 -6.471 -2.885 1.00 0.23 C ATOM 1228 CZ TYR A 98 -3.943 -7.247 -2.914 1.00 0.33 C ATOM 1229 OH TYR A 98 -3.868 -8.611 -2.719 1.00 0.46 O ATOM 0 H TYR A 98 -2.464 -3.439 -5.302 1.00 0.18 H new ATOM 0 HA TYR A 98 -5.371 -3.236 -5.290 1.00 0.18 H new ATOM 0 HB2 TYR A 98 -3.249 -2.511 -3.227 1.00 0.23 H new ATOM 0 HB3 TYR A 98 -4.973 -2.560 -2.919 1.00 0.23 H new ATOM 0 HD1 TYR A 98 -6.219 -4.789 -3.510 1.00 0.25 H new ATOM 0 HD2 TYR A 98 -1.959 -4.487 -3.060 1.00 0.13 H new ATOM 0 HE1 TYR A 98 -6.083 -7.241 -3.161 1.00 0.33 H new ATOM 0 HE2 TYR A 98 -1.821 -6.939 -2.711 1.00 0.23 H new ATOM 0 HH TYR A 98 -2.934 -8.870 -2.578 1.00 0.46 H new ATOM 1239 N LEU A 99 -3.522 -0.583 -5.663 1.00 0.37 N ATOM 1240 CA LEU A 99 -3.578 0.865 -5.979 1.00 0.47 C ATOM 1241 C LEU A 99 -4.301 0.994 -7.308 1.00 0.47 C ATOM 1242 O LEU A 99 -5.012 1.945 -7.561 1.00 0.51 O ATOM 1243 CB LEU A 99 -2.160 1.422 -6.093 1.00 0.58 C ATOM 1244 CG LEU A 99 -1.558 1.531 -4.695 1.00 0.63 C ATOM 1245 CD1 LEU A 99 -0.034 1.447 -4.784 1.00 0.84 C ATOM 1246 CD2 LEU A 99 -1.964 2.868 -4.079 1.00 0.59 C ATOM 0 H LEU A 99 -2.607 -1.016 -5.787 1.00 0.37 H new ATOM 0 HA LEU A 99 -4.096 1.423 -5.199 1.00 0.47 H new ATOM 0 HB2 LEU A 99 -1.548 0.771 -6.717 1.00 0.58 H new ATOM 0 HB3 LEU A 99 -2.177 2.400 -6.574 1.00 0.58 H new ATOM 0 HG LEU A 99 -1.925 0.715 -4.073 1.00 0.63 H new ATOM 0 HD11 LEU A 99 0.394 1.525 -3.784 1.00 0.84 H new ATOM 0 HD12 LEU A 99 0.253 0.494 -5.228 1.00 0.84 H new ATOM 0 HD13 LEU A 99 0.340 2.262 -5.403 1.00 0.84 H new ATOM 0 HD21 LEU A 99 -1.537 2.953 -3.080 1.00 0.59 H new ATOM 0 HD22 LEU A 99 -1.594 3.683 -4.702 1.00 0.59 H new ATOM 0 HD23 LEU A 99 -3.051 2.924 -4.015 1.00 0.59 H new ATOM 1258 N GLU A 100 -4.172 -0.014 -8.131 1.00 0.45 N ATOM 1259 CA GLU A 100 -4.891 -0.038 -9.417 1.00 0.49 C ATOM 1260 C GLU A 100 -6.370 -0.030 -9.054 1.00 0.42 C ATOM 1261 O GLU A 100 -7.195 0.583 -9.701 1.00 0.48 O ATOM 1262 CB GLU A 100 -4.529 -1.335 -10.141 1.00 0.50 C ATOM 1263 CG GLU A 100 -4.212 -1.050 -11.608 1.00 0.86 C ATOM 1264 CD GLU A 100 -3.074 -0.031 -11.699 1.00 2.81 C ATOM 1265 OE1 GLU A 100 -1.953 -0.395 -11.385 1.00 4.18 O ATOM 1266 OE2 GLU A 100 -3.343 1.096 -12.079 1.00 3.01 O ATOM 0 H GLU A 100 -3.586 -0.830 -7.954 1.00 0.45 H new ATOM 0 HA GLU A 100 -4.641 0.802 -10.065 1.00 0.49 H new ATOM 0 HB2 GLU A 100 -3.669 -1.801 -9.660 1.00 0.50 H new ATOM 0 HB3 GLU A 100 -5.356 -2.042 -10.071 1.00 0.50 H new ATOM 0 HG2 GLU A 100 -3.929 -1.972 -12.115 1.00 0.86 H new ATOM 0 HG3 GLU A 100 -5.098 -0.667 -12.114 1.00 0.86 H new ATOM 1273 N TYR A 101 -6.679 -0.688 -7.967 1.00 0.32 N ATOM 1274 CA TYR A 101 -8.068 -0.722 -7.465 1.00 0.26 C ATOM 1275 C TYR A 101 -8.537 0.707 -7.239 1.00 0.27 C ATOM 1276 O TYR A 101 -9.586 1.114 -7.696 1.00 0.27 O ATOM 1277 CB TYR A 101 -8.086 -1.473 -6.128 1.00 0.20 C ATOM 1278 CG TYR A 101 -9.217 -2.470 -6.103 1.00 0.15 C ATOM 1279 CD1 TYR A 101 -9.469 -3.270 -7.221 1.00 0.29 C ATOM 1280 CD2 TYR A 101 -10.014 -2.590 -4.960 1.00 0.16 C ATOM 1281 CE1 TYR A 101 -10.520 -4.191 -7.201 1.00 0.30 C ATOM 1282 CE2 TYR A 101 -11.065 -3.514 -4.937 1.00 0.17 C ATOM 1283 CZ TYR A 101 -11.320 -4.312 -6.058 1.00 0.18 C ATOM 1284 OH TYR A 101 -12.361 -5.214 -6.036 1.00 0.24 O ATOM 0 H TYR A 101 -6.009 -1.210 -7.402 1.00 0.32 H new ATOM 0 HA TYR A 101 -8.721 -1.220 -8.182 1.00 0.26 H new ATOM 0 HB2 TYR A 101 -7.136 -1.986 -5.979 1.00 0.20 H new ATOM 0 HB3 TYR A 101 -8.198 -0.765 -5.307 1.00 0.20 H new ATOM 0 HD1 TYR A 101 -8.851 -3.176 -8.102 1.00 0.29 H new ATOM 0 HD2 TYR A 101 -9.819 -1.971 -4.097 1.00 0.16 H new ATOM 0 HE1 TYR A 101 -10.715 -4.808 -8.066 1.00 0.30 H new ATOM 0 HE2 TYR A 101 -11.679 -3.611 -4.054 1.00 0.17 H new ATOM 0 HH TYR A 101 -12.411 -5.635 -5.152 1.00 0.24 H new ATOM 1294 N LEU A 102 -7.766 1.460 -6.516 1.00 0.29 N ATOM 1295 CA LEU A 102 -8.151 2.865 -6.220 1.00 0.30 C ATOM 1296 C LEU A 102 -7.576 3.818 -7.268 1.00 0.40 C ATOM 1297 O LEU A 102 -7.636 5.016 -7.107 1.00 0.43 O ATOM 1298 CB LEU A 102 -7.613 3.257 -4.845 1.00 0.32 C ATOM 1299 CG LEU A 102 -7.836 2.115 -3.852 1.00 0.27 C ATOM 1300 CD1 LEU A 102 -6.564 1.899 -3.041 1.00 0.34 C ATOM 1301 CD2 LEU A 102 -8.988 2.480 -2.924 1.00 0.24 C ATOM 0 H LEU A 102 -6.878 1.162 -6.113 1.00 0.29 H new ATOM 0 HA LEU A 102 -9.239 2.937 -6.237 1.00 0.30 H new ATOM 0 HB2 LEU A 102 -6.550 3.488 -4.913 1.00 0.32 H new ATOM 0 HB3 LEU A 102 -8.113 4.159 -4.493 1.00 0.32 H new ATOM 0 HG LEU A 102 -8.080 1.197 -4.387 1.00 0.27 H new ATOM 0 HD11 LEU A 102 -6.718 1.086 -2.332 1.00 0.34 H new ATOM 0 HD12 LEU A 102 -5.744 1.644 -3.712 1.00 0.34 H new ATOM 0 HD13 LEU A 102 -6.319 2.812 -2.498 1.00 0.34 H new ATOM 0 HD21 LEU A 102 -9.153 1.670 -2.213 1.00 0.24 H new ATOM 0 HD22 LEU A 102 -8.744 3.394 -2.383 1.00 0.24 H new ATOM 0 HD23 LEU A 102 -9.893 2.637 -3.511 1.00 0.24 H new ATOM 1313 N GLN A 103 -7.014 3.313 -8.329 1.00 0.48 N ATOM 1314 CA GLN A 103 -6.441 4.229 -9.355 1.00 0.60 C ATOM 1315 C GLN A 103 -7.549 4.699 -10.299 1.00 0.69 C ATOM 1316 O GLN A 103 -7.477 5.767 -10.874 1.00 0.97 O ATOM 1317 CB GLN A 103 -5.364 3.500 -10.161 1.00 0.58 C ATOM 1318 CG GLN A 103 -4.466 4.527 -10.856 1.00 0.96 C ATOM 1319 CD GLN A 103 -4.328 4.171 -12.338 1.00 0.88 C ATOM 1320 OE1 GLN A 103 -4.668 3.078 -12.747 1.00 0.39 O ATOM 1321 NE2 GLN A 103 -3.839 5.055 -13.165 1.00 1.81 N ATOM 0 H GLN A 103 -6.926 2.317 -8.530 1.00 0.48 H new ATOM 0 HA GLN A 103 -5.996 5.090 -8.855 1.00 0.60 H new ATOM 0 HB2 GLN A 103 -4.769 2.866 -9.504 1.00 0.58 H new ATOM 0 HB3 GLN A 103 -5.827 2.846 -10.900 1.00 0.58 H new ATOM 0 HG2 GLN A 103 -4.889 5.526 -10.750 1.00 0.96 H new ATOM 0 HG3 GLN A 103 -3.484 4.545 -10.383 1.00 0.96 H new ATOM 0 HE21 GLN A 103 -3.554 5.972 -12.821 1.00 1.81 H new ATOM 0 HE22 GLN A 103 -3.742 4.829 -14.155 1.00 1.81 H new ATOM 1330 N ASN A 104 -8.570 3.905 -10.472 1.00 0.50 N ATOM 1331 CA ASN A 104 -9.676 4.304 -11.392 1.00 0.59 C ATOM 1332 C ASN A 104 -11.028 4.240 -10.669 1.00 0.51 C ATOM 1333 O ASN A 104 -11.972 4.902 -11.051 1.00 0.52 O ATOM 1334 CB ASN A 104 -9.698 3.351 -12.588 1.00 0.66 C ATOM 1335 CG ASN A 104 -9.218 4.090 -13.840 1.00 1.39 C ATOM 1336 OD1 ASN A 104 -8.308 3.645 -14.511 1.00 2.27 O ATOM 1337 ND2 ASN A 104 -9.799 5.208 -14.185 1.00 2.05 N ATOM 0 H ASN A 104 -8.687 2.999 -10.018 1.00 0.50 H new ATOM 0 HA ASN A 104 -9.506 5.327 -11.727 1.00 0.59 H new ATOM 0 HB2 ASN A 104 -9.058 2.491 -12.393 1.00 0.66 H new ATOM 0 HB3 ASN A 104 -10.707 2.969 -12.743 1.00 0.66 H new ATOM 0 HD21 ASN A 104 -9.489 5.708 -15.018 1.00 2.05 H new ATOM 0 HD22 ASN A 104 -10.563 5.581 -13.621 1.00 2.05 H new ATOM 1344 N ARG A 105 -11.138 3.446 -9.637 1.00 0.44 N ATOM 1345 CA ARG A 105 -12.437 3.345 -8.912 1.00 0.37 C ATOM 1346 C ARG A 105 -12.880 4.731 -8.448 1.00 0.33 C ATOM 1347 O ARG A 105 -14.046 4.971 -8.204 1.00 0.26 O ATOM 1348 CB ARG A 105 -12.276 2.434 -7.695 1.00 0.36 C ATOM 1349 CG ARG A 105 -12.634 0.997 -8.080 1.00 0.90 C ATOM 1350 CD ARG A 105 -13.823 0.526 -7.242 1.00 0.47 C ATOM 1351 NE ARG A 105 -14.793 -0.201 -8.111 1.00 1.22 N ATOM 1352 CZ ARG A 105 -16.056 -0.251 -7.784 1.00 1.30 C ATOM 1353 NH1 ARG A 105 -16.408 -0.178 -6.530 1.00 1.20 N ATOM 1354 NH2 ARG A 105 -16.966 -0.372 -8.711 1.00 2.11 N ATOM 0 H ARG A 105 -10.386 2.865 -9.266 1.00 0.44 H new ATOM 0 HA ARG A 105 -13.188 2.930 -9.584 1.00 0.37 H new ATOM 0 HB2 ARG A 105 -11.251 2.478 -7.328 1.00 0.36 H new ATOM 0 HB3 ARG A 105 -12.920 2.775 -6.885 1.00 0.36 H new ATOM 0 HG2 ARG A 105 -12.879 0.944 -9.141 1.00 0.90 H new ATOM 0 HG3 ARG A 105 -11.778 0.342 -7.917 1.00 0.90 H new ATOM 0 HD2 ARG A 105 -13.479 -0.126 -6.439 1.00 0.47 H new ATOM 0 HD3 ARG A 105 -14.310 1.380 -6.772 1.00 0.47 H new ATOM 0 HE ARG A 105 -14.469 -0.660 -8.962 1.00 1.22 H new ATOM 0 HH11 ARG A 105 -15.697 -0.082 -5.805 1.00 1.20 H new ATOM 0 HH12 ARG A 105 -17.395 -0.217 -6.274 1.00 1.20 H new ATOM 0 HH21 ARG A 105 -16.691 -0.428 -9.692 1.00 2.11 H new ATOM 0 HH22 ARG A 105 -17.953 -0.411 -8.455 1.00 2.11 H new ATOM 1368 N PHE A 106 -11.962 5.647 -8.317 1.00 0.38 N ATOM 1369 CA PHE A 106 -12.341 7.014 -7.860 1.00 0.37 C ATOM 1370 C PHE A 106 -12.745 7.868 -9.066 1.00 0.36 C ATOM 1371 O PHE A 106 -11.910 8.428 -9.748 1.00 0.35 O ATOM 1372 CB PHE A 106 -11.152 7.660 -7.150 1.00 0.42 C ATOM 1373 CG PHE A 106 -11.388 7.644 -5.658 1.00 0.68 C ATOM 1374 CD1 PHE A 106 -12.217 8.609 -5.074 1.00 1.48 C ATOM 1375 CD2 PHE A 106 -10.779 6.668 -4.860 1.00 0.19 C ATOM 1376 CE1 PHE A 106 -12.437 8.600 -3.693 1.00 1.74 C ATOM 1377 CE2 PHE A 106 -11.001 6.658 -3.477 1.00 0.46 C ATOM 1378 CZ PHE A 106 -11.829 7.625 -2.893 1.00 1.21 C ATOM 0 H PHE A 106 -10.969 5.510 -8.506 1.00 0.38 H new ATOM 0 HA PHE A 106 -13.183 6.945 -7.171 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -10.235 7.122 -7.390 1.00 0.42 H new ATOM 0 HB3 PHE A 106 -11.020 8.685 -7.497 1.00 0.42 H new ATOM 0 HD1 PHE A 106 -12.687 9.361 -5.690 1.00 1.48 H new ATOM 0 HD2 PHE A 106 -10.139 5.924 -5.310 1.00 0.19 H new ATOM 0 HE1 PHE A 106 -13.076 9.345 -3.243 1.00 1.74 H new ATOM 0 HE2 PHE A 106 -10.533 5.904 -2.861 1.00 0.46 H new ATOM 0 HZ PHE A 106 -11.998 7.619 -1.826 1.00 1.21 H new ATOM 1388 N GLU A 107 -14.018 7.978 -9.329 1.00 0.42 N ATOM 1389 CA GLU A 107 -14.476 8.804 -10.489 1.00 0.42 C ATOM 1390 C GLU A 107 -14.824 10.208 -10.000 1.00 0.42 C ATOM 1391 O GLU A 107 -14.866 11.150 -10.765 1.00 0.43 O ATOM 1392 CB GLU A 107 -15.725 8.186 -11.137 1.00 0.43 C ATOM 1393 CG GLU A 107 -15.732 6.667 -10.952 1.00 1.46 C ATOM 1394 CD GLU A 107 -16.237 5.999 -12.231 1.00 2.19 C ATOM 1395 OE1 GLU A 107 -17.409 6.153 -12.534 1.00 1.28 O ATOM 1396 OE2 GLU A 107 -15.443 5.347 -12.889 1.00 3.86 O ATOM 0 H GLU A 107 -14.763 7.533 -8.793 1.00 0.42 H new ATOM 0 HA GLU A 107 -13.673 8.842 -11.226 1.00 0.42 H new ATOM 0 HB2 GLU A 107 -16.623 8.616 -10.692 1.00 0.43 H new ATOM 0 HB3 GLU A 107 -15.748 8.429 -12.199 1.00 0.43 H new ATOM 0 HG2 GLU A 107 -14.728 6.314 -10.717 1.00 1.46 H new ATOM 0 HG3 GLU A 107 -16.370 6.395 -10.111 1.00 1.46 H new ATOM 1403 N SER A 108 -15.074 10.359 -8.728 1.00 0.42 N ATOM 1404 CA SER A 108 -15.416 11.704 -8.196 1.00 0.43 C ATOM 1405 C SER A 108 -14.123 12.400 -7.783 1.00 0.44 C ATOM 1406 O SER A 108 -13.890 13.551 -8.095 1.00 0.45 O ATOM 1407 CB SER A 108 -16.337 11.561 -6.983 1.00 0.43 C ATOM 1408 OG SER A 108 -17.691 11.546 -7.420 1.00 1.06 O ATOM 0 H SER A 108 -15.056 9.609 -8.037 1.00 0.42 H new ATOM 0 HA SER A 108 -15.930 12.290 -8.958 1.00 0.43 H new ATOM 0 HB2 SER A 108 -16.107 10.642 -6.443 1.00 0.43 H new ATOM 0 HB3 SER A 108 -16.176 12.387 -6.290 1.00 0.43 H new ATOM 0 HG SER A 108 -18.284 11.453 -6.645 1.00 1.06 H new ATOM 1414 N SER A 109 -13.274 11.690 -7.099 1.00 0.44 N ATOM 1415 CA SER A 109 -11.975 12.270 -6.673 1.00 0.45 C ATOM 1416 C SER A 109 -10.864 11.512 -7.398 1.00 0.39 C ATOM 1417 O SER A 109 -9.839 11.190 -6.833 1.00 0.39 O ATOM 1418 CB SER A 109 -11.811 12.102 -5.162 1.00 0.52 C ATOM 1419 OG SER A 109 -10.896 13.075 -4.676 1.00 0.49 O ATOM 0 H SER A 109 -13.427 10.723 -6.814 1.00 0.44 H new ATOM 0 HA SER A 109 -11.932 13.332 -6.915 1.00 0.45 H new ATOM 0 HB2 SER A 109 -12.775 12.213 -4.666 1.00 0.52 H new ATOM 0 HB3 SER A 109 -11.449 11.100 -4.933 1.00 0.52 H new ATOM 0 HG SER A 109 -10.791 12.970 -3.707 1.00 0.49 H new ATOM 1425 N GLU A 110 -11.083 11.208 -8.648 1.00 0.36 N ATOM 1426 CA GLU A 110 -10.075 10.452 -9.432 1.00 0.32 C ATOM 1427 C GLU A 110 -8.698 11.118 -9.315 1.00 0.34 C ATOM 1428 O GLU A 110 -7.694 10.457 -9.138 1.00 0.35 O ATOM 1429 CB GLU A 110 -10.498 10.422 -10.901 1.00 0.21 C ATOM 1430 CG GLU A 110 -9.700 9.347 -11.636 1.00 0.20 C ATOM 1431 CD GLU A 110 -10.454 8.923 -12.898 1.00 0.35 C ATOM 1432 OE1 GLU A 110 -10.411 9.664 -13.866 1.00 0.65 O ATOM 1433 OE2 GLU A 110 -11.061 7.866 -12.876 1.00 1.41 O ATOM 0 H GLU A 110 -11.928 11.456 -9.162 1.00 0.36 H new ATOM 0 HA GLU A 110 -10.011 9.437 -9.041 1.00 0.32 H new ATOM 0 HB2 GLU A 110 -11.565 10.216 -10.980 1.00 0.21 H new ATOM 0 HB3 GLU A 110 -10.327 11.396 -11.360 1.00 0.21 H new ATOM 0 HG2 GLU A 110 -8.714 9.728 -11.900 1.00 0.20 H new ATOM 0 HG3 GLU A 110 -9.545 8.486 -10.986 1.00 0.20 H new ATOM 1440 N GLU A 111 -8.641 12.420 -9.427 1.00 0.35 N ATOM 1441 CA GLU A 111 -7.327 13.129 -9.339 1.00 0.38 C ATOM 1442 C GLU A 111 -6.537 12.641 -8.119 1.00 0.32 C ATOM 1443 O GLU A 111 -5.336 12.464 -8.178 1.00 0.42 O ATOM 1444 CB GLU A 111 -7.568 14.636 -9.219 1.00 0.40 C ATOM 1445 CG GLU A 111 -7.032 15.337 -10.469 1.00 0.71 C ATOM 1446 CD GLU A 111 -8.037 15.181 -11.612 1.00 1.74 C ATOM 1447 OE1 GLU A 111 -8.112 14.095 -12.165 1.00 3.10 O ATOM 1448 OE2 GLU A 111 -8.715 16.148 -11.915 1.00 2.06 O ATOM 0 H GLU A 111 -9.449 13.025 -9.576 1.00 0.35 H new ATOM 0 HA GLU A 111 -6.752 12.917 -10.240 1.00 0.38 H new ATOM 0 HB2 GLU A 111 -8.633 14.837 -9.104 1.00 0.40 H new ATOM 0 HB3 GLU A 111 -7.072 15.025 -8.330 1.00 0.40 H new ATOM 0 HG2 GLU A 111 -6.862 16.394 -10.262 1.00 0.71 H new ATOM 0 HG3 GLU A 111 -6.071 14.910 -10.755 1.00 0.71 H new ATOM 1455 N GLN A 112 -7.196 12.423 -7.015 1.00 0.18 N ATOM 1456 CA GLN A 112 -6.474 11.948 -5.799 1.00 0.21 C ATOM 1457 C GLN A 112 -6.065 10.486 -5.990 1.00 0.22 C ATOM 1458 O GLN A 112 -4.956 10.095 -5.687 1.00 0.39 O ATOM 1459 CB GLN A 112 -7.394 12.070 -4.582 1.00 0.28 C ATOM 1460 CG GLN A 112 -7.675 13.548 -4.301 1.00 0.45 C ATOM 1461 CD GLN A 112 -6.749 14.044 -3.189 1.00 0.84 C ATOM 1462 OE1 GLN A 112 -7.146 14.844 -2.365 1.00 1.09 O ATOM 1463 NE2 GLN A 112 -5.523 13.602 -3.130 1.00 2.08 N ATOM 0 H GLN A 112 -8.201 12.553 -6.901 1.00 0.18 H new ATOM 0 HA GLN A 112 -5.583 12.555 -5.641 1.00 0.21 H new ATOM 0 HB2 GLN A 112 -8.329 11.539 -4.765 1.00 0.28 H new ATOM 0 HB3 GLN A 112 -6.928 11.606 -3.713 1.00 0.28 H new ATOM 0 HG2 GLN A 112 -7.521 14.136 -5.206 1.00 0.45 H new ATOM 0 HG3 GLN A 112 -8.716 13.681 -4.007 1.00 0.45 H new ATOM 0 HE21 GLN A 112 -5.189 12.930 -3.821 1.00 2.08 H new ATOM 0 HE22 GLN A 112 -4.898 13.928 -2.392 1.00 2.08 H new ATOM 1472 N ALA A 113 -6.956 9.678 -6.497 1.00 0.14 N ATOM 1473 CA ALA A 113 -6.635 8.236 -6.723 1.00 0.26 C ATOM 1474 C ALA A 113 -5.300 8.110 -7.465 1.00 0.17 C ATOM 1475 O ALA A 113 -4.496 7.245 -7.176 1.00 0.23 O ATOM 1476 CB ALA A 113 -7.743 7.615 -7.571 1.00 0.44 C ATOM 0 H ALA A 113 -7.900 9.955 -6.767 1.00 0.14 H new ATOM 0 HA ALA A 113 -6.560 7.722 -5.765 1.00 0.26 H new ATOM 0 HB1 ALA A 113 -7.522 6.562 -7.744 1.00 0.44 H new ATOM 0 HB2 ALA A 113 -8.695 7.705 -7.048 1.00 0.44 H new ATOM 0 HB3 ALA A 113 -7.804 8.135 -8.527 1.00 0.44 H new ATOM 1482 N ARG A 114 -5.061 8.967 -8.421 1.00 0.10 N ATOM 1483 CA ARG A 114 -3.784 8.898 -9.188 1.00 0.08 C ATOM 1484 C ARG A 114 -2.638 9.436 -8.333 1.00 0.12 C ATOM 1485 O ARG A 114 -1.525 8.960 -8.401 1.00 0.37 O ATOM 1486 CB ARG A 114 -3.906 9.744 -10.455 1.00 0.20 C ATOM 1487 CG ARG A 114 -3.819 8.839 -11.685 1.00 0.57 C ATOM 1488 CD ARG A 114 -4.796 9.339 -12.749 1.00 0.85 C ATOM 1489 NE ARG A 114 -4.353 8.867 -14.090 1.00 1.17 N ATOM 1490 CZ ARG A 114 -5.003 9.240 -15.157 1.00 1.54 C ATOM 1491 NH1 ARG A 114 -5.442 10.464 -15.256 1.00 1.48 N ATOM 1492 NH2 ARG A 114 -5.215 8.390 -16.124 1.00 2.31 N ATOM 0 H ARG A 114 -5.696 9.713 -8.704 1.00 0.10 H new ATOM 0 HA ARG A 114 -3.581 7.861 -9.455 1.00 0.08 H new ATOM 0 HB2 ARG A 114 -4.853 10.284 -10.454 1.00 0.20 H new ATOM 0 HB3 ARG A 114 -3.113 10.491 -10.484 1.00 0.20 H new ATOM 0 HG2 ARG A 114 -2.803 8.838 -12.079 1.00 0.57 H new ATOM 0 HG3 ARG A 114 -4.056 7.811 -11.412 1.00 0.57 H new ATOM 0 HD2 ARG A 114 -5.801 8.973 -12.536 1.00 0.85 H new ATOM 0 HD3 ARG A 114 -4.843 10.428 -12.732 1.00 0.85 H new ATOM 0 HE ARG A 114 -3.543 8.253 -14.174 1.00 1.17 H new ATOM 0 HH11 ARG A 114 -5.277 11.128 -14.499 1.00 1.48 H new ATOM 0 HH12 ARG A 114 -5.951 10.757 -16.090 1.00 1.48 H new ATOM 0 HH21 ARG A 114 -4.872 7.433 -16.046 1.00 2.31 H new ATOM 0 HH22 ARG A 114 -5.724 8.683 -16.958 1.00 2.31 H new ATOM 1506 N ALA A 115 -2.894 10.433 -7.535 1.00 0.11 N ATOM 1507 CA ALA A 115 -1.807 10.996 -6.688 1.00 0.06 C ATOM 1508 C ALA A 115 -1.296 9.919 -5.727 1.00 0.07 C ATOM 1509 O ALA A 115 -0.203 10.009 -5.206 1.00 0.25 O ATOM 1510 CB ALA A 115 -2.350 12.182 -5.885 1.00 0.08 C ATOM 0 H ALA A 115 -3.805 10.881 -7.432 1.00 0.11 H new ATOM 0 HA ALA A 115 -0.988 11.331 -7.324 1.00 0.06 H new ATOM 0 HB1 ALA A 115 -1.555 12.595 -5.264 1.00 0.08 H new ATOM 0 HB2 ALA A 115 -2.712 12.949 -6.569 1.00 0.08 H new ATOM 0 HB3 ALA A 115 -3.169 11.846 -5.249 1.00 0.08 H new ATOM 1516 N VAL A 116 -2.081 8.905 -5.479 1.00 0.30 N ATOM 1517 CA VAL A 116 -1.637 7.835 -4.541 1.00 0.36 C ATOM 1518 C VAL A 116 -0.918 6.714 -5.301 1.00 0.34 C ATOM 1519 O VAL A 116 0.204 6.381 -4.997 1.00 0.30 O ATOM 1520 CB VAL A 116 -2.857 7.272 -3.813 1.00 0.47 C ATOM 1521 CG1 VAL A 116 -2.449 6.066 -2.961 1.00 1.30 C ATOM 1522 CG2 VAL A 116 -3.433 8.362 -2.912 1.00 1.79 C ATOM 0 H VAL A 116 -3.008 8.772 -5.884 1.00 0.30 H new ATOM 0 HA VAL A 116 -0.939 8.260 -3.819 1.00 0.36 H new ATOM 0 HB VAL A 116 -3.603 6.952 -4.540 1.00 0.47 H new ATOM 0 HG11 VAL A 116 -3.325 5.671 -2.446 1.00 1.30 H new ATOM 0 HG12 VAL A 116 -2.027 5.293 -3.603 1.00 1.30 H new ATOM 0 HG13 VAL A 116 -1.705 6.374 -2.227 1.00 1.30 H new ATOM 0 HG21 VAL A 116 -4.305 7.975 -2.385 1.00 1.79 H new ATOM 0 HG22 VAL A 116 -2.679 8.671 -2.188 1.00 1.79 H new ATOM 0 HG23 VAL A 116 -3.726 9.219 -3.519 1.00 1.79 H new ATOM 1532 N GLN A 117 -1.559 6.112 -6.264 1.00 0.54 N ATOM 1533 CA GLN A 117 -0.907 4.999 -7.011 1.00 0.56 C ATOM 1534 C GLN A 117 0.386 5.489 -7.671 1.00 0.56 C ATOM 1535 O GLN A 117 1.431 4.877 -7.556 1.00 0.53 O ATOM 1536 CB GLN A 117 -1.863 4.488 -8.090 1.00 0.64 C ATOM 1537 CG GLN A 117 -1.311 3.191 -8.682 1.00 1.00 C ATOM 1538 CD GLN A 117 -0.982 3.404 -10.162 1.00 0.81 C ATOM 1539 OE1 GLN A 117 -1.783 3.100 -11.023 1.00 1.50 O ATOM 1540 NE2 GLN A 117 0.172 3.914 -10.495 1.00 1.33 N ATOM 0 H GLN A 117 -2.506 6.342 -6.566 1.00 0.54 H new ATOM 0 HA GLN A 117 -0.667 4.196 -6.314 1.00 0.56 H new ATOM 0 HB2 GLN A 117 -2.851 4.315 -7.664 1.00 0.64 H new ATOM 0 HB3 GLN A 117 -1.980 5.237 -8.873 1.00 0.64 H new ATOM 0 HG2 GLN A 117 -0.416 2.883 -8.140 1.00 1.00 H new ATOM 0 HG3 GLN A 117 -2.041 2.389 -8.573 1.00 1.00 H new ATOM 0 HE21 GLN A 117 0.845 4.169 -9.772 1.00 1.33 H new ATOM 0 HE22 GLN A 117 0.401 4.057 -11.478 1.00 1.33 H new ATOM 1549 N MET A 118 0.320 6.579 -8.376 1.00 0.60 N ATOM 1550 CA MET A 118 1.535 7.098 -9.061 1.00 0.61 C ATOM 1551 C MET A 118 2.698 7.237 -8.073 1.00 0.55 C ATOM 1552 O MET A 118 3.789 6.764 -8.318 1.00 0.64 O ATOM 1553 CB MET A 118 1.226 8.466 -9.675 1.00 0.65 C ATOM 1554 CG MET A 118 0.090 8.328 -10.693 1.00 0.75 C ATOM 1555 SD MET A 118 0.586 7.184 -12.005 1.00 2.19 S ATOM 1556 CE MET A 118 -1.012 6.358 -12.195 1.00 4.06 C ATOM 0 H MET A 118 -0.524 7.136 -8.509 1.00 0.60 H new ATOM 0 HA MET A 118 1.822 6.393 -9.841 1.00 0.61 H new ATOM 0 HB2 MET A 118 0.944 9.171 -8.893 1.00 0.65 H new ATOM 0 HB3 MET A 118 2.116 8.867 -10.160 1.00 0.65 H new ATOM 0 HG2 MET A 118 -0.811 7.963 -10.200 1.00 0.75 H new ATOM 0 HG3 MET A 118 -0.151 9.302 -11.118 1.00 0.75 H new ATOM 0 HE1 MET A 118 -0.870 5.402 -12.700 1.00 4.06 H new ATOM 0 HE2 MET A 118 -1.453 6.188 -11.213 1.00 4.06 H new ATOM 0 HE3 MET A 118 -1.678 6.986 -12.787 1.00 4.06 H new ATOM 1566 N SER A 119 2.483 7.900 -6.971 1.00 0.40 N ATOM 1567 CA SER A 119 3.589 8.087 -5.985 1.00 0.34 C ATOM 1568 C SER A 119 4.099 6.731 -5.484 1.00 0.25 C ATOM 1569 O SER A 119 5.289 6.499 -5.402 1.00 0.21 O ATOM 1570 CB SER A 119 3.078 8.908 -4.802 1.00 0.30 C ATOM 1571 OG SER A 119 2.723 10.208 -5.254 1.00 1.29 O ATOM 0 H SER A 119 1.591 8.321 -6.709 1.00 0.40 H new ATOM 0 HA SER A 119 4.411 8.610 -6.473 1.00 0.34 H new ATOM 0 HB2 SER A 119 2.215 8.419 -4.350 1.00 0.30 H new ATOM 0 HB3 SER A 119 3.846 8.975 -4.032 1.00 0.30 H new ATOM 0 HG SER A 119 1.747 10.287 -5.290 1.00 1.29 H new ATOM 1577 N THR A 120 3.214 5.840 -5.141 1.00 0.23 N ATOM 1578 CA THR A 120 3.651 4.508 -4.637 1.00 0.19 C ATOM 1579 C THR A 120 4.526 3.824 -5.688 1.00 0.25 C ATOM 1580 O THR A 120 5.332 2.969 -5.376 1.00 0.28 O ATOM 1581 CB THR A 120 2.422 3.646 -4.341 1.00 0.24 C ATOM 1582 OG1 THR A 120 1.579 3.616 -5.486 1.00 0.85 O ATOM 1583 CG2 THR A 120 1.658 4.237 -3.154 1.00 0.82 C ATOM 0 H THR A 120 2.204 5.976 -5.188 1.00 0.23 H new ATOM 0 HA THR A 120 4.228 4.636 -3.721 1.00 0.19 H new ATOM 0 HB THR A 120 2.738 2.631 -4.097 1.00 0.24 H new ATOM 0 HG1 THR A 120 1.951 4.197 -6.182 1.00 0.85 H new ATOM 0 HG21 THR A 120 0.782 3.623 -2.943 1.00 0.82 H new ATOM 0 HG22 THR A 120 2.306 4.258 -2.278 1.00 0.82 H new ATOM 0 HG23 THR A 120 1.340 5.252 -3.395 1.00 0.82 H new ATOM 1591 N LYS A 121 4.393 4.206 -6.929 1.00 0.32 N ATOM 1592 CA LYS A 121 5.236 3.588 -7.991 1.00 0.38 C ATOM 1593 C LYS A 121 6.576 4.313 -8.011 1.00 0.28 C ATOM 1594 O LYS A 121 7.604 3.747 -8.316 1.00 0.30 O ATOM 1595 CB LYS A 121 4.551 3.746 -9.350 1.00 0.51 C ATOM 1596 CG LYS A 121 3.612 2.562 -9.586 1.00 1.07 C ATOM 1597 CD LYS A 121 3.925 1.915 -10.937 1.00 0.78 C ATOM 1598 CE LYS A 121 2.684 1.965 -11.830 1.00 1.43 C ATOM 1599 NZ LYS A 121 1.798 0.810 -11.511 1.00 2.76 N ATOM 0 H LYS A 121 3.738 4.918 -7.253 1.00 0.32 H new ATOM 0 HA LYS A 121 5.379 2.526 -7.790 1.00 0.38 H new ATOM 0 HB2 LYS A 121 3.991 4.680 -9.381 1.00 0.51 H new ATOM 0 HB3 LYS A 121 5.298 3.796 -10.142 1.00 0.51 H new ATOM 0 HG2 LYS A 121 3.726 1.830 -8.786 1.00 1.07 H new ATOM 0 HG3 LYS A 121 2.575 2.898 -9.565 1.00 1.07 H new ATOM 0 HD2 LYS A 121 4.753 2.436 -11.418 1.00 0.78 H new ATOM 0 HD3 LYS A 121 4.240 0.882 -10.792 1.00 0.78 H new ATOM 0 HE2 LYS A 121 2.149 2.902 -11.675 1.00 1.43 H new ATOM 0 HE3 LYS A 121 2.976 1.934 -12.880 1.00 1.43 H new ATOM 0 HZ1 LYS A 121 1.577 0.290 -12.384 1.00 2.76 H new ATOM 0 HZ2 LYS A 121 2.281 0.176 -10.843 1.00 2.76 H new ATOM 0 HZ3 LYS A 121 0.916 1.157 -11.083 1.00 2.76 H new ATOM 1613 N VAL A 122 6.559 5.571 -7.678 1.00 0.20 N ATOM 1614 CA VAL A 122 7.815 6.363 -7.657 1.00 0.12 C ATOM 1615 C VAL A 122 8.747 5.810 -6.574 1.00 0.00 C ATOM 1616 O VAL A 122 9.950 5.899 -6.683 1.00 0.06 O ATOM 1617 CB VAL A 122 7.471 7.822 -7.360 1.00 0.20 C ATOM 1618 CG1 VAL A 122 8.751 8.638 -7.205 1.00 0.23 C ATOM 1619 CG2 VAL A 122 6.651 8.386 -8.519 1.00 0.28 C ATOM 0 H VAL A 122 5.720 6.089 -7.417 1.00 0.20 H new ATOM 0 HA VAL A 122 8.318 6.297 -8.622 1.00 0.12 H new ATOM 0 HB VAL A 122 6.898 7.877 -6.434 1.00 0.20 H new ATOM 0 HG11 VAL A 122 8.497 9.677 -6.994 1.00 0.23 H new ATOM 0 HG12 VAL A 122 9.342 8.234 -6.383 1.00 0.23 H new ATOM 0 HG13 VAL A 122 9.329 8.587 -8.128 1.00 0.23 H new ATOM 0 HG21 VAL A 122 6.401 9.427 -8.315 1.00 0.28 H new ATOM 0 HG22 VAL A 122 7.232 8.326 -9.439 1.00 0.28 H new ATOM 0 HG23 VAL A 122 5.734 7.808 -8.631 1.00 0.28 H new ATOM 1629 N LEU A 123 8.207 5.236 -5.533 1.00 0.09 N ATOM 1630 CA LEU A 123 9.085 4.677 -4.464 1.00 0.20 C ATOM 1631 C LEU A 123 9.617 3.315 -4.922 1.00 0.29 C ATOM 1632 O LEU A 123 10.783 3.006 -4.779 1.00 0.52 O ATOM 1633 CB LEU A 123 8.287 4.482 -3.163 1.00 0.24 C ATOM 1634 CG LEU A 123 7.967 5.828 -2.492 1.00 0.22 C ATOM 1635 CD1 LEU A 123 9.217 6.708 -2.419 1.00 0.72 C ATOM 1636 CD2 LEU A 123 6.882 6.550 -3.288 1.00 0.77 C ATOM 0 H LEU A 123 7.205 5.130 -5.376 1.00 0.09 H new ATOM 0 HA LEU A 123 9.906 5.370 -4.280 1.00 0.20 H new ATOM 0 HB2 LEU A 123 7.359 3.952 -3.380 1.00 0.24 H new ATOM 0 HB3 LEU A 123 8.857 3.858 -2.475 1.00 0.24 H new ATOM 0 HG LEU A 123 7.617 5.636 -1.478 1.00 0.22 H new ATOM 0 HD11 LEU A 123 8.968 7.655 -1.941 1.00 0.72 H new ATOM 0 HD12 LEU A 123 9.986 6.200 -1.838 1.00 0.72 H new ATOM 0 HD13 LEU A 123 9.588 6.897 -3.426 1.00 0.72 H new ATOM 0 HD21 LEU A 123 6.655 7.504 -2.812 1.00 0.77 H new ATOM 0 HD22 LEU A 123 7.233 6.726 -4.305 1.00 0.77 H new ATOM 0 HD23 LEU A 123 5.982 5.936 -3.316 1.00 0.77 H new ATOM 1648 N ILE A 124 8.755 2.502 -5.463 1.00 0.40 N ATOM 1649 CA ILE A 124 9.167 1.147 -5.934 1.00 0.48 C ATOM 1650 C ILE A 124 10.323 1.259 -6.935 1.00 0.41 C ATOM 1651 O ILE A 124 11.271 0.502 -6.883 1.00 0.45 O ATOM 1652 CB ILE A 124 7.961 0.476 -6.599 1.00 0.58 C ATOM 1653 CG1 ILE A 124 6.858 0.275 -5.557 1.00 0.77 C ATOM 1654 CG2 ILE A 124 8.369 -0.882 -7.170 1.00 0.97 C ATOM 1655 CD1 ILE A 124 5.547 -0.080 -6.261 1.00 1.00 C ATOM 0 H ILE A 124 7.768 2.720 -5.602 1.00 0.40 H new ATOM 0 HA ILE A 124 9.507 0.551 -5.087 1.00 0.48 H new ATOM 0 HB ILE A 124 7.597 1.110 -7.407 1.00 0.58 H new ATOM 0 HG12 ILE A 124 7.138 -0.519 -4.865 1.00 0.77 H new ATOM 0 HG13 ILE A 124 6.732 1.182 -4.967 1.00 0.77 H new ATOM 0 HG21 ILE A 124 7.506 -1.353 -7.641 1.00 0.97 H new ATOM 0 HG22 ILE A 124 9.156 -0.743 -7.911 1.00 0.97 H new ATOM 0 HG23 ILE A 124 8.736 -1.520 -6.366 1.00 0.97 H new ATOM 0 HD11 ILE A 124 4.762 -0.223 -5.518 1.00 1.00 H new ATOM 0 HD12 ILE A 124 5.265 0.729 -6.935 1.00 1.00 H new ATOM 0 HD13 ILE A 124 5.678 -0.999 -6.832 1.00 1.00 H new ATOM 1667 N GLN A 125 10.249 2.185 -7.847 1.00 0.32 N ATOM 1668 CA GLN A 125 11.334 2.335 -8.847 1.00 0.27 C ATOM 1669 C GLN A 125 12.513 3.075 -8.214 1.00 0.13 C ATOM 1670 O GLN A 125 13.660 2.727 -8.416 1.00 0.13 O ATOM 1671 CB GLN A 125 10.794 3.132 -10.031 1.00 0.32 C ATOM 1672 CG GLN A 125 10.295 2.164 -11.104 1.00 0.48 C ATOM 1673 CD GLN A 125 10.722 2.657 -12.485 1.00 0.66 C ATOM 1674 OE1 GLN A 125 10.418 3.770 -12.868 1.00 0.36 O ATOM 1675 NE2 GLN A 125 11.420 1.870 -13.257 1.00 1.38 N ATOM 0 H GLN A 125 9.479 2.847 -7.941 1.00 0.32 H new ATOM 0 HA GLN A 125 11.674 1.356 -9.185 1.00 0.27 H new ATOM 0 HB2 GLN A 125 9.983 3.783 -9.706 1.00 0.32 H new ATOM 0 HB3 GLN A 125 11.575 3.774 -10.439 1.00 0.32 H new ATOM 0 HG2 GLN A 125 10.698 1.167 -10.923 1.00 0.48 H new ATOM 0 HG3 GLN A 125 9.209 2.083 -11.057 1.00 0.48 H new ATOM 0 HE21 GLN A 125 11.675 0.936 -12.936 1.00 1.38 H new ATOM 0 HE22 GLN A 125 11.710 2.189 -14.181 1.00 1.38 H new ATOM 1684 N PHE A 126 12.239 4.093 -7.443 1.00 0.05 N ATOM 1685 CA PHE A 126 13.340 4.858 -6.785 1.00 0.18 C ATOM 1686 C PHE A 126 14.284 3.887 -6.063 1.00 0.44 C ATOM 1687 O PHE A 126 15.474 4.112 -5.971 1.00 0.64 O ATOM 1688 CB PHE A 126 12.739 5.826 -5.758 1.00 0.07 C ATOM 1689 CG PHE A 126 12.535 7.187 -6.386 1.00 0.28 C ATOM 1690 CD1 PHE A 126 11.995 7.291 -7.674 1.00 0.31 C ATOM 1691 CD2 PHE A 126 12.883 8.346 -5.679 1.00 0.46 C ATOM 1692 CE1 PHE A 126 11.805 8.550 -8.254 1.00 0.50 C ATOM 1693 CE2 PHE A 126 12.693 9.605 -6.260 1.00 0.66 C ATOM 1694 CZ PHE A 126 12.153 9.708 -7.548 1.00 0.67 C ATOM 0 H PHE A 126 11.298 4.429 -7.239 1.00 0.05 H new ATOM 0 HA PHE A 126 13.895 5.413 -7.541 1.00 0.18 H new ATOM 0 HB2 PHE A 126 11.788 5.438 -5.394 1.00 0.07 H new ATOM 0 HB3 PHE A 126 13.400 5.910 -4.895 1.00 0.07 H new ATOM 0 HD1 PHE A 126 11.725 6.399 -8.220 1.00 0.31 H new ATOM 0 HD2 PHE A 126 13.298 8.268 -4.685 1.00 0.46 H new ATOM 0 HE1 PHE A 126 11.389 8.629 -9.248 1.00 0.50 H new ATOM 0 HE2 PHE A 126 12.963 10.497 -5.715 1.00 0.66 H new ATOM 0 HZ PHE A 126 12.005 10.679 -7.996 1.00 0.67 H new ATOM 1704 N LEU A 127 13.751 2.816 -5.541 1.00 0.51 N ATOM 1705 CA LEU A 127 14.598 1.828 -4.810 1.00 0.80 C ATOM 1706 C LEU A 127 15.121 0.759 -5.776 1.00 0.71 C ATOM 1707 O LEU A 127 16.234 0.295 -5.658 1.00 0.88 O ATOM 1708 CB LEU A 127 13.746 1.158 -3.726 1.00 0.95 C ATOM 1709 CG LEU A 127 14.611 0.784 -2.516 1.00 1.99 C ATOM 1710 CD1 LEU A 127 15.811 -0.048 -2.969 1.00 3.85 C ATOM 1711 CD2 LEU A 127 15.108 2.054 -1.820 1.00 1.66 C ATOM 0 H LEU A 127 12.760 2.581 -5.589 1.00 0.51 H new ATOM 0 HA LEU A 127 15.448 2.342 -4.361 1.00 0.80 H new ATOM 0 HB2 LEU A 127 12.947 1.832 -3.415 1.00 0.95 H new ATOM 0 HB3 LEU A 127 13.270 0.265 -4.130 1.00 0.95 H new ATOM 0 HG LEU A 127 14.009 0.200 -1.820 1.00 1.99 H new ATOM 0 HD11 LEU A 127 16.420 -0.309 -2.104 1.00 3.85 H new ATOM 0 HD12 LEU A 127 15.460 -0.959 -3.454 1.00 3.85 H new ATOM 0 HD13 LEU A 127 16.410 0.530 -3.673 1.00 3.85 H new ATOM 0 HD21 LEU A 127 15.722 1.782 -0.961 1.00 1.66 H new ATOM 0 HD22 LEU A 127 15.702 2.643 -2.519 1.00 1.66 H new ATOM 0 HD23 LEU A 127 14.254 2.642 -1.484 1.00 1.66 H new ATOM 1723 N GLN A 128 14.320 0.359 -6.719 1.00 0.48 N ATOM 1724 CA GLN A 128 14.744 -0.689 -7.691 1.00 0.48 C ATOM 1725 C GLN A 128 16.051 -0.279 -8.369 1.00 0.63 C ATOM 1726 O GLN A 128 17.063 -0.934 -8.232 1.00 0.44 O ATOM 1727 CB GLN A 128 13.656 -0.862 -8.752 1.00 0.42 C ATOM 1728 CG GLN A 128 12.709 -1.989 -8.336 1.00 0.33 C ATOM 1729 CD GLN A 128 12.942 -3.205 -9.235 1.00 0.92 C ATOM 1730 OE1 GLN A 128 14.009 -3.787 -9.226 1.00 2.15 O ATOM 1731 NE2 GLN A 128 11.982 -3.617 -10.017 1.00 0.75 N ATOM 0 H GLN A 128 13.376 0.717 -6.862 1.00 0.48 H new ATOM 0 HA GLN A 128 14.898 -1.628 -7.160 1.00 0.48 H new ATOM 0 HB2 GLN A 128 13.100 0.068 -8.873 1.00 0.42 H new ATOM 0 HB3 GLN A 128 14.108 -1.091 -9.717 1.00 0.42 H new ATOM 0 HG2 GLN A 128 12.879 -2.256 -7.293 1.00 0.33 H new ATOM 0 HG3 GLN A 128 11.674 -1.657 -8.415 1.00 0.33 H new ATOM 0 HE21 GLN A 128 11.086 -3.129 -10.025 1.00 0.75 H new ATOM 0 HE22 GLN A 128 12.127 -4.427 -10.620 1.00 0.75 H new ATOM 1740 N LYS A 129 16.039 0.798 -9.108 1.00 1.02 N ATOM 1741 CA LYS A 129 17.288 1.238 -9.795 1.00 1.22 C ATOM 1742 C LYS A 129 18.427 1.325 -8.775 1.00 1.44 C ATOM 1743 O LYS A 129 19.429 0.650 -8.891 1.00 1.73 O ATOM 1744 CB LYS A 129 17.066 2.610 -10.434 1.00 1.00 C ATOM 1745 CG LYS A 129 15.840 2.556 -11.349 1.00 1.15 C ATOM 1746 CD LYS A 129 14.838 3.633 -10.931 1.00 0.96 C ATOM 1747 CE LYS A 129 14.841 4.762 -11.963 1.00 1.41 C ATOM 1748 NZ LYS A 129 13.533 4.786 -12.678 1.00 2.37 N ATOM 0 H LYS A 129 15.223 1.389 -9.265 1.00 1.02 H new ATOM 0 HA LYS A 129 17.549 0.518 -10.570 1.00 1.22 H new ATOM 0 HB2 LYS A 129 16.922 3.364 -9.660 1.00 1.00 H new ATOM 0 HB3 LYS A 129 17.947 2.903 -11.005 1.00 1.00 H new ATOM 0 HG2 LYS A 129 16.141 2.708 -12.386 1.00 1.15 H new ATOM 0 HG3 LYS A 129 15.375 1.572 -11.293 1.00 1.15 H new ATOM 0 HD2 LYS A 129 13.840 3.204 -10.849 1.00 0.96 H new ATOM 0 HD3 LYS A 129 15.098 4.024 -9.948 1.00 0.96 H new ATOM 0 HE2 LYS A 129 15.016 5.719 -11.471 1.00 1.41 H new ATOM 0 HE3 LYS A 129 15.654 4.616 -12.675 1.00 1.41 H new ATOM 0 HZ1 LYS A 129 13.535 5.554 -13.380 1.00 2.37 H new ATOM 0 HZ2 LYS A 129 13.384 3.877 -13.160 1.00 2.37 H new ATOM 0 HZ3 LYS A 129 12.766 4.945 -11.994 1.00 2.37 H new ATOM 1762 N LYS A 130 18.279 2.152 -7.774 1.00 1.44 N ATOM 1763 CA LYS A 130 19.353 2.277 -6.751 1.00 1.72 C ATOM 1764 C LYS A 130 19.110 1.291 -5.607 1.00 1.45 C ATOM 1765 O LYS A 130 19.282 1.624 -4.451 1.00 1.31 O ATOM 1766 CB LYS A 130 19.389 3.712 -6.210 1.00 2.07 C ATOM 1767 CG LYS A 130 18.119 4.000 -5.403 1.00 1.68 C ATOM 1768 CD LYS A 130 18.502 4.314 -3.954 1.00 1.48 C ATOM 1769 CE LYS A 130 17.352 3.924 -3.024 1.00 1.26 C ATOM 1770 NZ LYS A 130 17.783 4.091 -1.607 1.00 0.83 N ATOM 0 H LYS A 130 17.462 2.744 -7.622 1.00 1.44 H new ATOM 0 HA LYS A 130 20.312 2.045 -7.214 1.00 1.72 H new ATOM 0 HB2 LYS A 130 20.268 3.850 -5.581 1.00 2.07 H new ATOM 0 HB3 LYS A 130 19.473 4.419 -7.036 1.00 2.07 H new ATOM 0 HG2 LYS A 130 17.580 4.841 -5.839 1.00 1.68 H new ATOM 0 HG3 LYS A 130 17.450 3.140 -5.436 1.00 1.68 H new ATOM 0 HD2 LYS A 130 19.406 3.770 -3.680 1.00 1.48 H new ATOM 0 HD3 LYS A 130 18.725 5.376 -3.848 1.00 1.48 H new ATOM 0 HE2 LYS A 130 16.480 4.545 -3.226 1.00 1.26 H new ATOM 0 HE3 LYS A 130 17.056 2.891 -3.206 1.00 1.26 H new ATOM 0 HZ1 LYS A 130 16.950 4.059 -0.985 1.00 0.83 H new ATOM 0 HZ2 LYS A 130 18.437 3.324 -1.350 1.00 0.83 H new ATOM 0 HZ3 LYS A 130 18.263 5.007 -1.496 1.00 0.83 H new ATOM 1784 N ALA A 131 18.712 0.081 -5.911 1.00 1.40 N ATOM 1785 CA ALA A 131 18.476 -0.911 -4.821 1.00 1.21 C ATOM 1786 C ALA A 131 19.795 -1.569 -4.403 1.00 0.97 C ATOM 1787 O ALA A 131 19.849 -2.763 -4.190 1.00 1.00 O ATOM 1788 CB ALA A 131 17.510 -2.006 -5.292 1.00 1.34 C ATOM 0 H ALA A 131 18.542 -0.259 -6.857 1.00 1.40 H new ATOM 0 HA ALA A 131 18.044 -0.380 -3.973 1.00 1.21 H new ATOM 0 HB1 ALA A 131 17.349 -2.721 -4.485 1.00 1.34 H new ATOM 0 HB2 ALA A 131 16.558 -1.555 -5.573 1.00 1.34 H new ATOM 0 HB3 ALA A 131 17.936 -2.521 -6.153 1.00 1.34 H new ATOM 1794 N LYS A 132 20.861 -0.819 -4.260 1.00 0.82 N ATOM 1795 CA LYS A 132 22.138 -1.448 -3.823 1.00 0.91 C ATOM 1796 C LYS A 132 21.886 -2.131 -2.477 1.00 0.83 C ATOM 1797 O LYS A 132 20.962 -1.781 -1.768 1.00 0.98 O ATOM 1798 CB LYS A 132 23.223 -0.378 -3.667 1.00 1.03 C ATOM 1799 CG LYS A 132 22.774 0.661 -2.640 1.00 0.65 C ATOM 1800 CD LYS A 132 23.989 1.452 -2.151 1.00 0.69 C ATOM 1801 CE LYS A 132 23.626 2.196 -0.865 1.00 0.67 C ATOM 1802 NZ LYS A 132 24.618 3.283 -0.620 1.00 1.50 N ATOM 0 H LYS A 132 20.899 0.187 -4.425 1.00 0.82 H new ATOM 0 HA LYS A 132 22.476 -2.174 -4.563 1.00 0.91 H new ATOM 0 HB2 LYS A 132 24.159 -0.838 -3.349 1.00 1.03 H new ATOM 0 HB3 LYS A 132 23.414 0.103 -4.626 1.00 1.03 H new ATOM 0 HG2 LYS A 132 22.042 1.336 -3.085 1.00 0.65 H new ATOM 0 HG3 LYS A 132 22.284 0.169 -1.799 1.00 0.65 H new ATOM 0 HD2 LYS A 132 24.827 0.778 -1.971 1.00 0.69 H new ATOM 0 HD3 LYS A 132 24.308 2.160 -2.916 1.00 0.69 H new ATOM 0 HE2 LYS A 132 22.623 2.616 -0.946 1.00 0.67 H new ATOM 0 HE3 LYS A 132 23.614 1.504 -0.023 1.00 0.67 H new ATOM 0 HZ1 LYS A 132 24.370 3.788 0.255 1.00 1.50 H new ATOM 0 HZ2 LYS A 132 25.568 2.871 -0.525 1.00 1.50 H new ATOM 0 HZ3 LYS A 132 24.608 3.949 -1.419 1.00 1.50 H new ATOM 1816 N ASN A 133 22.666 -3.110 -2.120 1.00 1.22 N ATOM 1817 CA ASN A 133 22.421 -3.807 -0.825 1.00 1.64 C ATOM 1818 C ASN A 133 21.003 -4.380 -0.851 1.00 1.45 C ATOM 1819 O ASN A 133 20.302 -4.414 0.139 1.00 1.77 O ATOM 1820 CB ASN A 133 22.560 -2.818 0.335 1.00 1.98 C ATOM 1821 CG ASN A 133 23.711 -3.253 1.244 1.00 2.30 C ATOM 1822 OD1 ASN A 133 24.112 -4.399 1.230 1.00 2.29 O ATOM 1823 ND2 ASN A 133 24.266 -2.379 2.038 1.00 2.98 N ATOM 0 H ASN A 133 23.457 -3.457 -2.662 1.00 1.22 H new ATOM 0 HA ASN A 133 23.148 -4.607 -0.687 1.00 1.64 H new ATOM 0 HB2 ASN A 133 22.746 -1.815 -0.049 1.00 1.98 H new ATOM 0 HB3 ASN A 133 21.631 -2.775 0.903 1.00 1.98 H new ATOM 0 HD21 ASN A 133 25.036 -2.659 2.646 1.00 2.98 H new ATOM 0 HD22 ASN A 133 23.930 -1.416 2.051 1.00 2.98 H new ATOM 1830 N LEU A 134 20.597 -4.824 -2.002 1.00 1.07 N ATOM 1831 CA LEU A 134 19.237 -5.408 -2.179 1.00 0.94 C ATOM 1832 C LEU A 134 19.308 -6.416 -3.323 1.00 0.94 C ATOM 1833 O LEU A 134 20.364 -6.946 -3.610 1.00 1.44 O ATOM 1834 CB LEU A 134 18.238 -4.288 -2.491 1.00 1.06 C ATOM 1835 CG LEU A 134 17.131 -4.283 -1.433 1.00 1.58 C ATOM 1836 CD1 LEU A 134 17.708 -3.823 -0.094 1.00 1.10 C ATOM 1837 CD2 LEU A 134 16.024 -3.317 -1.858 1.00 2.17 C ATOM 0 H LEU A 134 21.163 -4.808 -2.851 1.00 1.07 H new ATOM 0 HA LEU A 134 18.903 -5.911 -1.271 1.00 0.94 H new ATOM 0 HB2 LEU A 134 18.748 -3.325 -2.504 1.00 1.06 H new ATOM 0 HB3 LEU A 134 17.808 -4.435 -3.482 1.00 1.06 H new ATOM 0 HG LEU A 134 16.723 -5.289 -1.332 1.00 1.58 H new ATOM 0 HD11 LEU A 134 16.920 -3.819 0.660 1.00 1.10 H new ATOM 0 HD12 LEU A 134 18.501 -4.504 0.214 1.00 1.10 H new ATOM 0 HD13 LEU A 134 18.114 -2.817 -0.199 1.00 1.10 H new ATOM 0 HD21 LEU A 134 15.236 -3.313 -1.105 1.00 2.17 H new ATOM 0 HD22 LEU A 134 16.436 -2.313 -1.957 1.00 2.17 H new ATOM 0 HD23 LEU A 134 15.610 -3.636 -2.815 1.00 2.17 H new ATOM 1849 N ASP A 135 18.219 -6.704 -3.977 1.00 0.95 N ATOM 1850 CA ASP A 135 18.304 -7.705 -5.087 1.00 1.44 C ATOM 1851 C ASP A 135 17.112 -7.630 -6.042 1.00 1.27 C ATOM 1852 O ASP A 135 16.826 -8.582 -6.739 1.00 2.18 O ATOM 1853 CB ASP A 135 18.382 -9.114 -4.494 1.00 2.22 C ATOM 1854 CG ASP A 135 19.251 -9.998 -5.392 1.00 2.60 C ATOM 1855 OD1 ASP A 135 20.066 -9.453 -6.118 1.00 2.45 O ATOM 1856 OD2 ASP A 135 19.088 -11.205 -5.337 1.00 3.36 O ATOM 0 H ASP A 135 17.296 -6.306 -3.802 1.00 0.95 H new ATOM 0 HA ASP A 135 19.200 -7.474 -5.663 1.00 1.44 H new ATOM 0 HB2 ASP A 135 18.802 -9.074 -3.489 1.00 2.22 H new ATOM 0 HB3 ASP A 135 17.382 -9.539 -4.405 1.00 2.22 H new ATOM 1861 N ALA A 136 16.407 -6.525 -6.069 1.00 0.52 N ATOM 1862 CA ALA A 136 15.212 -6.374 -6.972 1.00 0.77 C ATOM 1863 C ALA A 136 13.982 -6.910 -6.265 1.00 0.54 C ATOM 1864 O ALA A 136 12.871 -6.481 -6.507 1.00 1.10 O ATOM 1865 CB ALA A 136 15.413 -7.096 -8.311 1.00 1.29 C ATOM 0 H ALA A 136 16.609 -5.706 -5.496 1.00 0.52 H new ATOM 0 HA ALA A 136 15.082 -5.315 -7.194 1.00 0.77 H new ATOM 0 HB1 ALA A 136 14.528 -6.962 -8.933 1.00 1.29 H new ATOM 0 HB2 ALA A 136 16.282 -6.680 -8.822 1.00 1.29 H new ATOM 0 HB3 ALA A 136 15.573 -8.159 -8.131 1.00 1.29 H new ATOM 1871 N ILE A 137 14.176 -7.798 -5.350 1.00 0.35 N ATOM 1872 CA ILE A 137 13.047 -8.318 -4.571 1.00 0.46 C ATOM 1873 C ILE A 137 11.978 -8.904 -5.495 1.00 0.34 C ATOM 1874 O ILE A 137 10.832 -9.069 -5.125 1.00 0.75 O ATOM 1875 CB ILE A 137 12.514 -7.160 -3.731 1.00 0.60 C ATOM 1876 CG1 ILE A 137 13.568 -6.783 -2.683 1.00 0.69 C ATOM 1877 CG2 ILE A 137 11.232 -7.567 -3.017 1.00 0.93 C ATOM 1878 CD1 ILE A 137 14.763 -6.086 -3.347 1.00 0.43 C ATOM 0 H ILE A 137 15.085 -8.191 -5.107 1.00 0.35 H new ATOM 0 HA ILE A 137 13.358 -9.133 -3.918 1.00 0.46 H new ATOM 0 HB ILE A 137 12.303 -6.314 -4.384 1.00 0.60 H new ATOM 0 HG12 ILE A 137 13.126 -6.125 -1.935 1.00 0.69 H new ATOM 0 HG13 ILE A 137 13.906 -7.678 -2.161 1.00 0.69 H new ATOM 0 HG21 ILE A 137 10.865 -6.730 -2.423 1.00 0.93 H new ATOM 0 HG22 ILE A 137 10.479 -7.847 -3.753 1.00 0.93 H new ATOM 0 HG23 ILE A 137 11.433 -8.416 -2.363 1.00 0.93 H new ATOM 0 HD11 ILE A 137 15.500 -5.826 -2.588 1.00 0.43 H new ATOM 0 HD12 ILE A 137 15.215 -6.757 -4.078 1.00 0.43 H new ATOM 0 HD13 ILE A 137 14.423 -5.180 -3.848 1.00 0.43 H new ATOM 1890 N THR A 138 12.349 -9.258 -6.694 1.00 0.50 N ATOM 1891 CA THR A 138 11.359 -9.866 -7.625 1.00 0.44 C ATOM 1892 C THR A 138 10.103 -8.995 -7.691 1.00 0.45 C ATOM 1893 O THR A 138 10.118 -7.837 -7.326 1.00 0.70 O ATOM 1894 CB THR A 138 10.979 -11.254 -7.104 1.00 0.35 C ATOM 1895 OG1 THR A 138 12.018 -11.741 -6.266 1.00 0.71 O ATOM 1896 CG2 THR A 138 10.779 -12.210 -8.280 1.00 0.63 C ATOM 0 H THR A 138 13.292 -9.153 -7.068 1.00 0.50 H new ATOM 0 HA THR A 138 11.795 -9.942 -8.621 1.00 0.44 H new ATOM 0 HB THR A 138 10.051 -11.187 -6.536 1.00 0.35 H new ATOM 0 HG1 THR A 138 11.777 -12.629 -5.929 1.00 0.71 H new ATOM 0 HG21 THR A 138 10.509 -13.197 -7.905 1.00 0.63 H new ATOM 0 HG22 THR A 138 9.982 -11.835 -8.922 1.00 0.63 H new ATOM 0 HG23 THR A 138 11.704 -12.281 -8.853 1.00 0.63 H new ATOM 1904 N THR A 139 9.018 -9.550 -8.149 1.00 0.31 N ATOM 1905 CA THR A 139 7.758 -8.768 -8.235 1.00 0.55 C ATOM 1906 C THR A 139 6.625 -9.686 -8.725 1.00 0.65 C ATOM 1907 O THR A 139 6.865 -10.587 -9.504 1.00 0.56 O ATOM 1908 CB THR A 139 7.964 -7.598 -9.208 1.00 0.83 C ATOM 1909 OG1 THR A 139 6.915 -6.656 -9.047 1.00 1.01 O ATOM 1910 CG2 THR A 139 7.985 -8.100 -10.655 1.00 0.87 C ATOM 0 H THR A 139 8.950 -10.516 -8.469 1.00 0.31 H new ATOM 0 HA THR A 139 7.489 -8.372 -7.256 1.00 0.55 H new ATOM 0 HB THR A 139 8.921 -7.124 -8.988 1.00 0.83 H new ATOM 0 HG1 THR A 139 6.210 -7.044 -8.487 1.00 1.01 H new ATOM 0 HG21 THR A 139 8.132 -7.257 -11.330 1.00 0.87 H new ATOM 0 HG22 THR A 139 8.800 -8.812 -10.781 1.00 0.87 H new ATOM 0 HG23 THR A 139 7.038 -8.588 -10.885 1.00 0.87 H new ATOM 1958 N THR A 143 0.245 -10.784 -14.715 1.00 1.29 N ATOM 1959 CA THR A 143 -0.644 -11.892 -15.157 1.00 1.11 C ATOM 1960 C THR A 143 -1.253 -12.550 -13.920 1.00 1.00 C ATOM 1961 O THR A 143 -2.446 -12.760 -13.841 1.00 0.91 O ATOM 1962 CB THR A 143 0.172 -12.919 -15.944 1.00 1.14 C ATOM 1963 OG1 THR A 143 1.098 -13.554 -15.073 1.00 0.90 O ATOM 1964 CG2 THR A 143 0.927 -12.211 -17.071 1.00 1.64 C ATOM 0 HA THR A 143 -1.436 -11.505 -15.798 1.00 1.11 H new ATOM 0 HB THR A 143 -0.495 -13.668 -16.370 1.00 1.14 H new ATOM 0 HG1 THR A 143 1.621 -14.213 -15.576 1.00 0.90 H new ATOM 0 HG21 THR A 143 1.509 -12.941 -17.633 1.00 1.64 H new ATOM 0 HG22 THR A 143 0.214 -11.725 -17.737 1.00 1.64 H new ATOM 0 HG23 THR A 143 1.596 -11.462 -16.647 1.00 1.64 H new ATOM 1972 N THR A 144 -0.443 -12.857 -12.941 1.00 1.01 N ATOM 1973 CA THR A 144 -0.984 -13.476 -11.700 1.00 0.94 C ATOM 1974 C THR A 144 -1.764 -12.410 -10.934 1.00 0.79 C ATOM 1975 O THR A 144 -2.794 -12.678 -10.347 1.00 0.74 O ATOM 1976 CB THR A 144 0.166 -13.990 -10.830 1.00 1.03 C ATOM 1977 OG1 THR A 144 0.930 -14.936 -11.566 1.00 0.98 O ATOM 1978 CG2 THR A 144 -0.400 -14.652 -9.572 1.00 0.97 C ATOM 0 H THR A 144 0.566 -12.706 -12.949 1.00 1.01 H new ATOM 0 HA THR A 144 -1.634 -14.313 -11.954 1.00 0.94 H new ATOM 0 HB THR A 144 0.805 -13.155 -10.541 1.00 1.03 H new ATOM 0 HG1 THR A 144 1.667 -15.264 -11.010 1.00 0.98 H new ATOM 0 HG21 THR A 144 0.419 -15.018 -8.953 1.00 0.97 H new ATOM 0 HG22 THR A 144 -0.983 -13.924 -9.009 1.00 0.97 H new ATOM 0 HG23 THR A 144 -1.040 -15.487 -9.857 1.00 0.97 H new ATOM 1986 N ASN A 145 -1.287 -11.194 -10.955 1.00 0.72 N ATOM 1987 CA ASN A 145 -2.011 -10.102 -10.253 1.00 0.57 C ATOM 1988 C ASN A 145 -3.322 -9.824 -10.989 1.00 0.56 C ATOM 1989 O ASN A 145 -4.204 -9.168 -10.475 1.00 0.54 O ATOM 1990 CB ASN A 145 -1.153 -8.835 -10.233 1.00 0.50 C ATOM 1991 CG ASN A 145 -0.796 -8.490 -8.786 1.00 0.33 C ATOM 1992 OD1 ASN A 145 0.333 -8.146 -8.492 1.00 0.28 O ATOM 1993 ND2 ASN A 145 -1.717 -8.566 -7.861 1.00 0.27 N ATOM 0 H ASN A 145 -0.428 -10.913 -11.428 1.00 0.72 H new ATOM 0 HA ASN A 145 -2.219 -10.402 -9.226 1.00 0.57 H new ATOM 0 HB2 ASN A 145 -0.246 -8.987 -10.817 1.00 0.50 H new ATOM 0 HB3 ASN A 145 -1.694 -8.008 -10.693 1.00 0.50 H new ATOM 0 HD21 ASN A 145 -1.488 -8.337 -6.894 1.00 0.27 H new ATOM 0 HD22 ASN A 145 -2.664 -8.854 -8.107 1.00 0.27 H new ATOM 2000 N ALA A 146 -3.468 -10.334 -12.187 1.00 0.60 N ATOM 2001 CA ALA A 146 -4.732 -10.120 -12.938 1.00 0.60 C ATOM 2002 C ALA A 146 -5.777 -11.081 -12.384 1.00 0.59 C ATOM 2003 O ALA A 146 -6.962 -10.818 -12.418 1.00 0.57 O ATOM 2004 CB ALA A 146 -4.499 -10.402 -14.424 1.00 0.76 C ATOM 0 H ALA A 146 -2.763 -10.889 -12.673 1.00 0.60 H new ATOM 0 HA ALA A 146 -5.073 -9.090 -12.828 1.00 0.60 H new ATOM 0 HB1 ALA A 146 -5.427 -10.245 -14.974 1.00 0.76 H new ATOM 0 HB2 ALA A 146 -3.732 -9.728 -14.806 1.00 0.76 H new ATOM 0 HB3 ALA A 146 -4.172 -11.434 -14.552 1.00 0.76 H new ATOM 2010 N SER A 147 -5.339 -12.191 -11.853 1.00 0.62 N ATOM 2011 CA SER A 147 -6.296 -13.163 -11.269 1.00 0.66 C ATOM 2012 C SER A 147 -6.696 -12.664 -9.881 1.00 0.60 C ATOM 2013 O SER A 147 -7.843 -12.732 -9.491 1.00 0.62 O ATOM 2014 CB SER A 147 -5.630 -14.535 -11.156 1.00 0.76 C ATOM 2015 OG SER A 147 -6.621 -15.518 -10.889 1.00 0.30 O ATOM 0 H SER A 147 -4.357 -12.463 -11.800 1.00 0.62 H new ATOM 0 HA SER A 147 -7.178 -13.254 -11.903 1.00 0.66 H new ATOM 0 HB2 SER A 147 -5.104 -14.774 -12.080 1.00 0.76 H new ATOM 0 HB3 SER A 147 -4.886 -14.526 -10.359 1.00 0.76 H new ATOM 0 HG SER A 147 -6.197 -16.399 -10.818 1.00 0.30 H new ATOM 2021 N LEU A 148 -5.763 -12.137 -9.137 1.00 0.54 N ATOM 2022 CA LEU A 148 -6.114 -11.613 -7.789 1.00 0.53 C ATOM 2023 C LEU A 148 -7.103 -10.465 -7.976 1.00 0.45 C ATOM 2024 O LEU A 148 -8.104 -10.389 -7.305 1.00 0.49 O ATOM 2025 CB LEU A 148 -4.846 -11.102 -7.078 1.00 0.49 C ATOM 2026 CG LEU A 148 -5.221 -10.124 -5.948 1.00 0.47 C ATOM 2027 CD1 LEU A 148 -6.154 -10.808 -4.948 1.00 0.59 C ATOM 2028 CD2 LEU A 148 -3.961 -9.663 -5.227 1.00 0.39 C ATOM 0 H LEU A 148 -4.782 -12.047 -9.401 1.00 0.54 H new ATOM 0 HA LEU A 148 -6.556 -12.400 -7.179 1.00 0.53 H new ATOM 0 HB2 LEU A 148 -4.287 -11.943 -6.669 1.00 0.49 H new ATOM 0 HB3 LEU A 148 -4.194 -10.605 -7.796 1.00 0.49 H new ATOM 0 HG LEU A 148 -5.729 -9.263 -6.383 1.00 0.47 H new ATOM 0 HD11 LEU A 148 -6.413 -10.108 -4.154 1.00 0.59 H new ATOM 0 HD12 LEU A 148 -7.062 -11.129 -5.458 1.00 0.59 H new ATOM 0 HD13 LEU A 148 -5.653 -11.676 -4.518 1.00 0.59 H new ATOM 0 HD21 LEU A 148 -4.231 -8.972 -4.429 1.00 0.39 H new ATOM 0 HD22 LEU A 148 -3.449 -10.526 -4.802 1.00 0.39 H new ATOM 0 HD23 LEU A 148 -3.300 -9.161 -5.934 1.00 0.39 H new ATOM 2040 N LEU A 149 -6.809 -9.568 -8.879 1.00 0.36 N ATOM 2041 CA LEU A 149 -7.712 -8.408 -9.116 1.00 0.28 C ATOM 2042 C LEU A 149 -9.041 -8.903 -9.671 1.00 0.33 C ATOM 2043 O LEU A 149 -10.080 -8.350 -9.381 1.00 0.32 O ATOM 2044 CB LEU A 149 -7.055 -7.452 -10.112 1.00 0.20 C ATOM 2045 CG LEU A 149 -7.823 -6.129 -10.148 1.00 0.21 C ATOM 2046 CD1 LEU A 149 -7.895 -5.533 -8.738 1.00 0.31 C ATOM 2047 CD2 LEU A 149 -7.097 -5.150 -11.075 1.00 0.38 C ATOM 0 H LEU A 149 -5.975 -9.591 -9.466 1.00 0.36 H new ATOM 0 HA LEU A 149 -7.891 -7.883 -8.177 1.00 0.28 H new ATOM 0 HB2 LEU A 149 -6.018 -7.273 -9.828 1.00 0.20 H new ATOM 0 HB3 LEU A 149 -7.040 -7.901 -11.105 1.00 0.20 H new ATOM 0 HG LEU A 149 -8.833 -6.307 -10.516 1.00 0.21 H new ATOM 0 HD11 LEU A 149 -8.443 -4.591 -8.769 1.00 0.31 H new ATOM 0 HD12 LEU A 149 -8.408 -6.229 -8.074 1.00 0.31 H new ATOM 0 HD13 LEU A 149 -6.886 -5.354 -8.367 1.00 0.31 H new ATOM 0 HD21 LEU A 149 -7.640 -4.206 -11.104 1.00 0.38 H new ATOM 0 HD22 LEU A 149 -6.088 -4.977 -10.702 1.00 0.38 H new ATOM 0 HD23 LEU A 149 -7.046 -5.570 -12.079 1.00 0.38 H new ATOM 2059 N THR A 150 -9.032 -9.951 -10.449 1.00 0.38 N ATOM 2060 CA THR A 150 -10.320 -10.471 -10.974 1.00 0.42 C ATOM 2061 C THR A 150 -11.136 -10.977 -9.773 1.00 0.43 C ATOM 2062 O THR A 150 -12.348 -11.049 -9.810 1.00 0.45 O ATOM 2063 CB THR A 150 -10.052 -11.586 -12.017 1.00 0.44 C ATOM 2064 OG1 THR A 150 -11.122 -11.614 -12.950 1.00 0.66 O ATOM 2065 CG2 THR A 150 -9.925 -12.969 -11.363 1.00 0.23 C ATOM 0 H THR A 150 -8.198 -10.462 -10.739 1.00 0.38 H new ATOM 0 HA THR A 150 -10.887 -9.694 -11.488 1.00 0.42 H new ATOM 0 HB THR A 150 -9.107 -11.361 -12.512 1.00 0.44 H new ATOM 0 HG1 THR A 150 -10.959 -12.316 -13.614 1.00 0.66 H new ATOM 0 HG21 THR A 150 -9.738 -13.719 -12.131 1.00 0.23 H new ATOM 0 HG22 THR A 150 -9.097 -12.961 -10.654 1.00 0.23 H new ATOM 0 HG23 THR A 150 -10.850 -13.210 -10.839 1.00 0.23 H new ATOM 2073 N LYS A 151 -10.455 -11.317 -8.704 1.00 0.43 N ATOM 2074 CA LYS A 151 -11.145 -11.810 -7.481 1.00 0.43 C ATOM 2075 C LYS A 151 -11.599 -10.619 -6.625 1.00 0.40 C ATOM 2076 O LYS A 151 -12.643 -10.662 -6.008 1.00 0.36 O ATOM 2077 CB LYS A 151 -10.174 -12.676 -6.673 1.00 0.46 C ATOM 2078 CG LYS A 151 -10.852 -13.163 -5.388 1.00 0.36 C ATOM 2079 CD LYS A 151 -9.784 -13.595 -4.380 1.00 0.48 C ATOM 2080 CE LYS A 151 -9.889 -12.738 -3.116 1.00 0.15 C ATOM 2081 NZ LYS A 151 -10.353 -13.584 -1.979 1.00 0.38 N ATOM 0 H LYS A 151 -9.439 -11.271 -8.631 1.00 0.43 H new ATOM 0 HA LYS A 151 -12.017 -12.399 -7.767 1.00 0.43 H new ATOM 0 HB2 LYS A 151 -9.852 -13.529 -7.270 1.00 0.46 H new ATOM 0 HB3 LYS A 151 -9.280 -12.103 -6.428 1.00 0.46 H new ATOM 0 HG2 LYS A 151 -11.467 -12.368 -4.965 1.00 0.36 H new ATOM 0 HG3 LYS A 151 -11.518 -13.997 -5.609 1.00 0.36 H new ATOM 0 HD2 LYS A 151 -9.912 -14.648 -4.129 1.00 0.48 H new ATOM 0 HD3 LYS A 151 -8.792 -13.491 -4.820 1.00 0.48 H new ATOM 0 HE2 LYS A 151 -8.921 -12.295 -2.882 1.00 0.15 H new ATOM 0 HE3 LYS A 151 -10.585 -11.915 -3.279 1.00 0.15 H new ATOM 0 HZ1 LYS A 151 -10.425 -13.002 -1.120 1.00 0.38 H new ATOM 0 HZ2 LYS A 151 -11.285 -13.986 -2.203 1.00 0.38 H new ATOM 0 HZ3 LYS A 151 -9.673 -14.355 -1.820 1.00 0.38 H new ATOM 2095 N LEU A 152 -10.839 -9.548 -6.583 1.00 0.42 N ATOM 2096 CA LEU A 152 -11.269 -8.379 -5.770 1.00 0.41 C ATOM 2097 C LEU A 152 -12.538 -7.829 -6.400 1.00 0.34 C ATOM 2098 O LEU A 152 -13.447 -7.380 -5.729 1.00 0.32 O ATOM 2099 CB LEU A 152 -10.203 -7.269 -5.780 1.00 0.51 C ATOM 2100 CG LEU A 152 -8.797 -7.839 -5.562 1.00 0.38 C ATOM 2101 CD1 LEU A 152 -7.783 -6.695 -5.600 1.00 0.25 C ATOM 2102 CD2 LEU A 152 -8.714 -8.529 -4.203 1.00 0.34 C ATOM 0 H LEU A 152 -9.951 -9.439 -7.073 1.00 0.42 H new ATOM 0 HA LEU A 152 -11.425 -8.696 -4.739 1.00 0.41 H new ATOM 0 HB2 LEU A 152 -10.238 -6.738 -6.731 1.00 0.51 H new ATOM 0 HB3 LEU A 152 -10.427 -6.541 -5.000 1.00 0.51 H new ATOM 0 HG LEU A 152 -8.580 -8.564 -6.347 1.00 0.38 H new ATOM 0 HD11 LEU A 152 -6.780 -7.093 -5.446 1.00 0.25 H new ATOM 0 HD12 LEU A 152 -7.831 -6.198 -6.569 1.00 0.25 H new ATOM 0 HD13 LEU A 152 -8.014 -5.978 -4.813 1.00 0.25 H new ATOM 0 HD21 LEU A 152 -7.711 -8.930 -4.059 1.00 0.34 H new ATOM 0 HD22 LEU A 152 -8.933 -7.808 -3.415 1.00 0.34 H new ATOM 0 HD23 LEU A 152 -9.439 -9.342 -4.163 1.00 0.34 H new ATOM 2114 N GLN A 153 -12.588 -7.851 -7.700 1.00 0.35 N ATOM 2115 CA GLN A 153 -13.770 -7.323 -8.416 1.00 0.31 C ATOM 2116 C GLN A 153 -14.852 -8.401 -8.501 1.00 0.29 C ATOM 2117 O GLN A 153 -16.029 -8.109 -8.581 1.00 0.19 O ATOM 2118 CB GLN A 153 -13.354 -6.899 -9.825 1.00 0.35 C ATOM 2119 CG GLN A 153 -12.517 -5.622 -9.748 1.00 0.30 C ATOM 2120 CD GLN A 153 -12.887 -4.698 -10.910 1.00 0.49 C ATOM 2121 OE1 GLN A 153 -13.151 -3.528 -10.712 1.00 1.40 O ATOM 2122 NE2 GLN A 153 -12.916 -5.176 -12.123 1.00 1.34 N ATOM 0 H GLN A 153 -11.850 -8.217 -8.301 1.00 0.35 H new ATOM 0 HA GLN A 153 -14.168 -6.464 -7.876 1.00 0.31 H new ATOM 0 HB2 GLN A 153 -12.780 -7.694 -10.301 1.00 0.35 H new ATOM 0 HB3 GLN A 153 -14.237 -6.731 -10.441 1.00 0.35 H new ATOM 0 HG2 GLN A 153 -12.692 -5.117 -8.798 1.00 0.30 H new ATOM 0 HG3 GLN A 153 -11.456 -5.867 -9.788 1.00 0.30 H new ATOM 0 HE21 GLN A 153 -12.695 -6.158 -12.290 1.00 1.34 H new ATOM 0 HE22 GLN A 153 -13.160 -4.568 -12.905 1.00 1.34 H new ATOM 2131 N ALA A 154 -14.464 -9.646 -8.482 1.00 0.43 N ATOM 2132 CA ALA A 154 -15.473 -10.738 -8.562 1.00 0.41 C ATOM 2133 C ALA A 154 -16.282 -10.771 -7.269 1.00 0.46 C ATOM 2134 O ALA A 154 -17.418 -11.203 -7.244 1.00 1.07 O ATOM 2135 CB ALA A 154 -14.765 -12.080 -8.759 1.00 0.27 C ATOM 0 H ALA A 154 -13.494 -9.954 -8.415 1.00 0.43 H new ATOM 0 HA ALA A 154 -16.139 -10.557 -9.406 1.00 0.41 H new ATOM 0 HB1 ALA A 154 -15.506 -12.877 -8.817 1.00 0.27 H new ATOM 0 HB2 ALA A 154 -14.187 -12.054 -9.683 1.00 0.27 H new ATOM 0 HB3 ALA A 154 -14.097 -12.266 -7.918 1.00 0.27 H new ATOM 2141 N GLN A 155 -15.709 -10.311 -6.197 1.00 0.48 N ATOM 2142 CA GLN A 155 -16.443 -10.307 -4.907 1.00 0.41 C ATOM 2143 C GLN A 155 -17.742 -9.518 -5.068 1.00 0.47 C ATOM 2144 O GLN A 155 -17.822 -8.587 -5.845 1.00 0.61 O ATOM 2145 CB GLN A 155 -15.577 -9.641 -3.843 1.00 0.44 C ATOM 2146 CG GLN A 155 -14.175 -10.254 -3.861 1.00 0.46 C ATOM 2147 CD GLN A 155 -13.747 -10.593 -2.433 1.00 0.66 C ATOM 2148 OE1 GLN A 155 -13.524 -9.710 -1.628 1.00 2.43 O ATOM 2149 NE2 GLN A 155 -13.623 -11.843 -2.082 1.00 0.99 N ATOM 0 H GLN A 155 -14.761 -9.936 -6.159 1.00 0.48 H new ATOM 0 HA GLN A 155 -16.672 -11.330 -4.609 1.00 0.41 H new ATOM 0 HB2 GLN A 155 -15.518 -8.568 -4.028 1.00 0.44 H new ATOM 0 HB3 GLN A 155 -16.028 -9.771 -2.859 1.00 0.44 H new ATOM 0 HG2 GLN A 155 -14.168 -11.153 -4.477 1.00 0.46 H new ATOM 0 HG3 GLN A 155 -13.467 -9.556 -4.308 1.00 0.46 H new ATOM 0 HE21 GLN A 155 -13.810 -12.584 -2.758 1.00 0.99 H new ATOM 0 HE22 GLN A 155 -13.339 -12.080 -1.132 1.00 0.99 H new ATOM 2158 N ASN A 156 -18.762 -9.875 -4.338 1.00 0.55 N ATOM 2159 CA ASN A 156 -20.049 -9.135 -4.452 1.00 0.62 C ATOM 2160 C ASN A 156 -19.812 -7.666 -4.103 1.00 0.55 C ATOM 2161 O ASN A 156 -18.708 -7.264 -3.803 1.00 0.77 O ATOM 2162 CB ASN A 156 -21.071 -9.734 -3.485 1.00 0.70 C ATOM 2163 CG ASN A 156 -21.594 -11.053 -4.054 1.00 1.17 C ATOM 2164 OD1 ASN A 156 -22.405 -11.058 -4.958 1.00 1.52 O ATOM 2165 ND2 ASN A 156 -21.159 -12.180 -3.561 1.00 1.39 N ATOM 0 H ASN A 156 -18.760 -10.645 -3.669 1.00 0.55 H new ATOM 0 HA ASN A 156 -20.430 -9.214 -5.470 1.00 0.62 H new ATOM 0 HB2 ASN A 156 -20.612 -9.902 -2.511 1.00 0.70 H new ATOM 0 HB3 ASN A 156 -21.896 -9.038 -3.333 1.00 0.70 H new ATOM 0 HD21 ASN A 156 -21.500 -13.066 -3.935 1.00 1.39 H new ATOM 0 HD22 ASN A 156 -20.478 -12.175 -2.802 1.00 1.39 H new ATOM 2172 N GLN A 157 -20.838 -6.862 -4.133 1.00 0.32 N ATOM 2173 CA GLN A 157 -20.663 -5.420 -3.791 1.00 0.23 C ATOM 2174 C GLN A 157 -20.247 -5.317 -2.331 1.00 0.29 C ATOM 2175 O GLN A 157 -19.531 -4.421 -1.930 1.00 0.30 O ATOM 2176 CB GLN A 157 -21.985 -4.668 -3.972 1.00 0.21 C ATOM 2177 CG GLN A 157 -22.706 -5.169 -5.221 1.00 2.20 C ATOM 2178 CD GLN A 157 -23.448 -4.006 -5.881 1.00 1.66 C ATOM 2179 OE1 GLN A 157 -22.835 -3.108 -6.423 1.00 1.13 O ATOM 2180 NE2 GLN A 157 -24.753 -3.984 -5.860 1.00 2.55 N ATOM 0 H GLN A 157 -21.789 -7.139 -4.379 1.00 0.32 H new ATOM 0 HA GLN A 157 -19.908 -4.984 -4.445 1.00 0.23 H new ATOM 0 HB2 GLN A 157 -22.617 -4.811 -3.096 1.00 0.21 H new ATOM 0 HB3 GLN A 157 -21.795 -3.598 -4.057 1.00 0.21 H new ATOM 0 HG2 GLN A 157 -21.989 -5.600 -5.920 1.00 2.20 H new ATOM 0 HG3 GLN A 157 -23.408 -5.959 -4.956 1.00 2.20 H new ATOM 0 HE21 GLN A 157 -25.269 -4.738 -5.405 1.00 2.55 H new ATOM 0 HE22 GLN A 157 -25.257 -3.213 -6.298 1.00 2.55 H new ATOM 2189 N TRP A 158 -20.713 -6.230 -1.532 1.00 0.40 N ATOM 2190 CA TRP A 158 -20.380 -6.208 -0.087 1.00 0.53 C ATOM 2191 C TRP A 158 -18.878 -6.445 0.110 1.00 0.56 C ATOM 2192 O TRP A 158 -18.147 -5.571 0.543 1.00 0.57 O ATOM 2193 CB TRP A 158 -21.168 -7.316 0.611 1.00 0.68 C ATOM 2194 CG TRP A 158 -21.133 -7.111 2.091 1.00 0.74 C ATOM 2195 CD1 TRP A 158 -20.017 -7.153 2.852 1.00 0.47 C ATOM 2196 CD2 TRP A 158 -22.240 -6.840 3.000 1.00 1.16 C ATOM 2197 NE1 TRP A 158 -20.367 -6.926 4.170 1.00 0.74 N ATOM 2198 CE2 TRP A 158 -21.725 -6.726 4.312 1.00 1.17 C ATOM 2199 CE3 TRP A 158 -23.626 -6.683 2.815 1.00 1.55 C ATOM 2200 CZ2 TRP A 158 -22.555 -6.467 5.403 1.00 1.58 C ATOM 2201 CZ3 TRP A 158 -24.464 -6.422 3.912 1.00 1.94 C ATOM 2202 CH2 TRP A 158 -23.929 -6.313 5.203 1.00 1.96 C ATOM 0 H TRP A 158 -21.317 -6.999 -1.823 1.00 0.40 H new ATOM 0 HA TRP A 158 -20.640 -5.237 0.335 1.00 0.53 H new ATOM 0 HB2 TRP A 158 -22.200 -7.317 0.260 1.00 0.68 H new ATOM 0 HB3 TRP A 158 -20.745 -8.289 0.360 1.00 0.68 H new ATOM 0 HD1 TRP A 158 -19.016 -7.334 2.490 1.00 0.47 H new ATOM 0 HE1 TRP A 158 -19.702 -6.908 4.943 1.00 0.74 H new ATOM 0 HE3 TRP A 158 -24.048 -6.764 1.824 1.00 1.55 H new ATOM 0 HZ2 TRP A 158 -22.138 -6.386 6.396 1.00 1.58 H new ATOM 0 HZ3 TRP A 158 -25.527 -6.305 3.760 1.00 1.94 H new ATOM 0 HH2 TRP A 158 -24.578 -6.110 6.042 1.00 1.96 H new ATOM 2213 N LEU A 159 -18.414 -7.624 -0.199 1.00 0.58 N ATOM 2214 CA LEU A 159 -16.967 -7.926 -0.026 1.00 0.61 C ATOM 2215 C LEU A 159 -16.131 -6.967 -0.878 1.00 0.56 C ATOM 2216 O LEU A 159 -14.957 -6.770 -0.634 1.00 0.62 O ATOM 2217 CB LEU A 159 -16.691 -9.367 -0.462 1.00 0.62 C ATOM 2218 CG LEU A 159 -17.002 -10.317 0.695 1.00 0.69 C ATOM 2219 CD1 LEU A 159 -17.204 -11.733 0.154 1.00 1.09 C ATOM 2220 CD2 LEU A 159 -15.833 -10.313 1.684 1.00 0.52 C ATOM 0 H LEU A 159 -18.976 -8.392 -0.565 1.00 0.58 H new ATOM 0 HA LEU A 159 -16.698 -7.803 1.023 1.00 0.61 H new ATOM 0 HB2 LEU A 159 -17.302 -9.620 -1.329 1.00 0.62 H new ATOM 0 HB3 LEU A 159 -15.649 -9.474 -0.765 1.00 0.62 H new ATOM 0 HG LEU A 159 -17.910 -9.988 1.200 1.00 0.69 H new ATOM 0 HD11 LEU A 159 -17.426 -12.410 0.979 1.00 1.09 H new ATOM 0 HD12 LEU A 159 -18.034 -11.738 -0.552 1.00 1.09 H new ATOM 0 HD13 LEU A 159 -16.296 -12.062 -0.351 1.00 1.09 H new ATOM 0 HD21 LEU A 159 -16.053 -10.990 2.510 1.00 0.52 H new ATOM 0 HD22 LEU A 159 -14.926 -10.642 1.177 1.00 0.52 H new ATOM 0 HD23 LEU A 159 -15.687 -9.304 2.071 1.00 0.52 H new ATOM 2232 N GLN A 160 -16.723 -6.359 -1.871 1.00 0.45 N ATOM 2233 CA GLN A 160 -15.952 -5.411 -2.723 1.00 0.43 C ATOM 2234 C GLN A 160 -15.645 -4.163 -1.903 1.00 0.56 C ATOM 2235 O GLN A 160 -14.540 -3.658 -1.906 1.00 0.71 O ATOM 2236 CB GLN A 160 -16.774 -5.027 -3.954 1.00 0.29 C ATOM 2237 CG GLN A 160 -16.261 -5.797 -5.172 1.00 0.99 C ATOM 2238 CD GLN A 160 -15.997 -4.822 -6.322 1.00 1.06 C ATOM 2239 OE1 GLN A 160 -16.446 -5.035 -7.430 1.00 1.45 O ATOM 2240 NE2 GLN A 160 -15.280 -3.753 -6.104 1.00 1.86 N ATOM 0 H GLN A 160 -17.703 -6.478 -2.127 1.00 0.45 H new ATOM 0 HA GLN A 160 -15.026 -5.881 -3.054 1.00 0.43 H new ATOM 0 HB2 GLN A 160 -17.827 -5.252 -3.786 1.00 0.29 H new ATOM 0 HB3 GLN A 160 -16.702 -3.954 -4.132 1.00 0.29 H new ATOM 0 HG2 GLN A 160 -15.346 -6.332 -4.918 1.00 0.99 H new ATOM 0 HG3 GLN A 160 -16.993 -6.545 -5.477 1.00 0.99 H new ATOM 0 HE21 GLN A 160 -14.902 -3.573 -5.174 1.00 1.86 H new ATOM 0 HE22 GLN A 160 -15.097 -3.098 -6.864 1.00 1.86 H new ATOM 2249 N ASP A 161 -16.617 -3.672 -1.189 1.00 0.53 N ATOM 2250 CA ASP A 161 -16.389 -2.468 -0.350 1.00 0.67 C ATOM 2251 C ASP A 161 -15.290 -2.781 0.664 1.00 0.76 C ATOM 2252 O ASP A 161 -14.394 -1.992 0.891 1.00 0.88 O ATOM 2253 CB ASP A 161 -17.686 -2.114 0.385 1.00 0.83 C ATOM 2254 CG ASP A 161 -17.446 -0.934 1.331 1.00 1.34 C ATOM 2255 OD1 ASP A 161 -16.334 -0.434 1.359 1.00 1.63 O ATOM 2256 OD2 ASP A 161 -18.383 -0.551 2.014 1.00 1.57 O ATOM 0 H ASP A 161 -17.562 -4.055 -1.151 1.00 0.53 H new ATOM 0 HA ASP A 161 -16.087 -1.625 -0.972 1.00 0.67 H new ATOM 0 HB2 ASP A 161 -18.464 -1.861 -0.335 1.00 0.83 H new ATOM 0 HB3 ASP A 161 -18.041 -2.977 0.949 1.00 0.83 H new ATOM 2261 N MET A 162 -15.353 -3.934 1.270 1.00 0.75 N ATOM 2262 CA MET A 162 -14.313 -4.314 2.267 1.00 0.87 C ATOM 2263 C MET A 162 -12.926 -4.197 1.613 1.00 0.69 C ATOM 2264 O MET A 162 -12.005 -3.659 2.194 1.00 0.59 O ATOM 2265 CB MET A 162 -14.606 -5.758 2.753 1.00 0.99 C ATOM 2266 CG MET A 162 -13.321 -6.586 2.939 1.00 1.07 C ATOM 2267 SD MET A 162 -12.248 -5.794 4.165 1.00 0.74 S ATOM 2268 CE MET A 162 -10.716 -5.866 3.200 1.00 0.67 C ATOM 0 H MET A 162 -16.082 -4.631 1.117 1.00 0.75 H new ATOM 0 HA MET A 162 -14.330 -3.650 3.132 1.00 0.87 H new ATOM 0 HB2 MET A 162 -15.149 -5.718 3.697 1.00 0.99 H new ATOM 0 HB3 MET A 162 -15.255 -6.256 2.033 1.00 0.99 H new ATOM 0 HG2 MET A 162 -13.573 -7.596 3.262 1.00 1.07 H new ATOM 0 HG3 MET A 162 -12.796 -6.677 1.988 1.00 1.07 H new ATOM 0 HE1 MET A 162 -9.960 -6.417 3.759 1.00 0.67 H new ATOM 0 HE2 MET A 162 -10.906 -6.370 2.252 1.00 0.67 H new ATOM 0 HE3 MET A 162 -10.359 -4.854 3.008 1.00 0.67 H new ATOM 2278 N THR A 163 -12.776 -4.708 0.417 1.00 0.66 N ATOM 2279 CA THR A 163 -11.452 -4.649 -0.282 1.00 0.50 C ATOM 2280 C THR A 163 -10.812 -3.264 -0.126 1.00 0.49 C ATOM 2281 O THR A 163 -9.725 -3.132 0.400 1.00 0.51 O ATOM 2282 CB THR A 163 -11.656 -4.946 -1.769 1.00 0.33 C ATOM 2283 OG1 THR A 163 -12.246 -6.230 -1.919 1.00 0.45 O ATOM 2284 CG2 THR A 163 -10.304 -4.919 -2.484 1.00 0.19 C ATOM 0 H THR A 163 -13.518 -5.167 -0.110 1.00 0.66 H new ATOM 0 HA THR A 163 -10.789 -5.390 0.165 1.00 0.50 H new ATOM 0 HB THR A 163 -12.312 -4.192 -2.204 1.00 0.33 H new ATOM 0 HG1 THR A 163 -12.378 -6.420 -2.871 1.00 0.45 H new ATOM 0 HG21 THR A 163 -10.448 -5.131 -3.543 1.00 0.19 H new ATOM 0 HG22 THR A 163 -9.851 -3.934 -2.369 1.00 0.19 H new ATOM 0 HG23 THR A 163 -9.648 -5.673 -2.050 1.00 0.19 H new ATOM 2292 N THR A 164 -11.470 -2.232 -0.577 1.00 0.47 N ATOM 2293 CA THR A 164 -10.890 -0.863 -0.452 1.00 0.49 C ATOM 2294 C THR A 164 -10.493 -0.600 1.004 1.00 0.61 C ATOM 2295 O THR A 164 -9.364 -0.268 1.296 1.00 0.92 O ATOM 2296 CB THR A 164 -11.933 0.168 -0.887 1.00 0.56 C ATOM 2297 OG1 THR A 164 -12.381 -0.141 -2.199 1.00 0.94 O ATOM 2298 CG2 THR A 164 -11.311 1.566 -0.874 1.00 0.97 C ATOM 0 H THR A 164 -12.384 -2.276 -1.027 1.00 0.47 H new ATOM 0 HA THR A 164 -10.007 -0.785 -1.086 1.00 0.49 H new ATOM 0 HB THR A 164 -12.777 0.144 -0.198 1.00 0.56 H new ATOM 0 HG1 THR A 164 -13.051 0.517 -2.479 1.00 0.94 H new ATOM 0 HG21 THR A 164 -12.056 2.299 -1.184 1.00 0.97 H new ATOM 0 HG22 THR A 164 -10.967 1.802 0.133 1.00 0.97 H new ATOM 0 HG23 THR A 164 -10.466 1.595 -1.562 1.00 0.97 H new ATOM 2306 N HIS A 165 -11.426 -0.739 1.908 1.00 0.40 N ATOM 2307 CA HIS A 165 -11.155 -0.496 3.363 1.00 0.51 C ATOM 2308 C HIS A 165 -9.773 -1.039 3.781 1.00 0.43 C ATOM 2309 O HIS A 165 -8.899 -0.288 4.168 1.00 0.42 O ATOM 2310 CB HIS A 165 -12.256 -1.189 4.181 1.00 0.64 C ATOM 2311 CG HIS A 165 -11.941 -1.125 5.655 1.00 0.74 C ATOM 2312 ND1 HIS A 165 -11.732 -2.266 6.412 1.00 0.83 N ATOM 2313 CD2 HIS A 165 -11.800 -0.069 6.521 1.00 0.77 C ATOM 2314 CE1 HIS A 165 -11.479 -1.875 7.675 1.00 0.92 C ATOM 2315 NE2 HIS A 165 -11.508 -0.546 7.796 1.00 0.89 N ATOM 0 H HIS A 165 -12.385 -1.016 1.699 1.00 0.40 H new ATOM 0 HA HIS A 165 -11.154 0.578 3.549 1.00 0.51 H new ATOM 0 HB2 HIS A 165 -13.216 -0.711 3.988 1.00 0.64 H new ATOM 0 HB3 HIS A 165 -12.349 -2.229 3.868 1.00 0.64 H new ATOM 0 HD2 HIS A 165 -11.900 0.973 6.254 1.00 0.77 H new ATOM 0 HE1 HIS A 165 -11.277 -2.554 8.491 1.00 0.92 H new ATOM 0 HE2 HIS A 165 -11.350 0.003 8.641 1.00 0.89 H new ATOM 2323 N LEU A 166 -9.578 -2.330 3.740 1.00 0.41 N ATOM 2324 CA LEU A 166 -8.264 -2.897 4.175 1.00 0.35 C ATOM 2325 C LEU A 166 -7.106 -2.278 3.383 1.00 0.26 C ATOM 2326 O LEU A 166 -6.029 -2.099 3.910 1.00 0.24 O ATOM 2327 CB LEU A 166 -8.262 -4.417 3.985 1.00 0.43 C ATOM 2328 CG LEU A 166 -6.901 -4.992 4.389 1.00 1.09 C ATOM 2329 CD1 LEU A 166 -6.669 -4.764 5.886 1.00 0.73 C ATOM 2330 CD2 LEU A 166 -6.872 -6.493 4.095 1.00 2.34 C ATOM 0 H LEU A 166 -10.266 -3.015 3.426 1.00 0.41 H new ATOM 0 HA LEU A 166 -8.126 -2.660 5.230 1.00 0.35 H new ATOM 0 HB2 LEU A 166 -9.050 -4.868 4.587 1.00 0.43 H new ATOM 0 HB3 LEU A 166 -8.476 -4.662 2.945 1.00 0.43 H new ATOM 0 HG LEU A 166 -6.117 -4.493 3.820 1.00 1.09 H new ATOM 0 HD11 LEU A 166 -5.700 -5.174 6.171 1.00 0.73 H new ATOM 0 HD12 LEU A 166 -6.687 -3.695 6.098 1.00 0.73 H new ATOM 0 HD13 LEU A 166 -7.455 -5.260 6.456 1.00 0.73 H new ATOM 0 HD21 LEU A 166 -5.903 -6.901 4.383 1.00 2.34 H new ATOM 0 HD22 LEU A 166 -7.659 -6.990 4.663 1.00 2.34 H new ATOM 0 HD23 LEU A 166 -7.034 -6.658 3.030 1.00 2.34 H new ATOM 2342 N ILE A 167 -7.297 -1.956 2.130 1.00 0.22 N ATOM 2343 CA ILE A 167 -6.169 -1.361 1.352 1.00 0.19 C ATOM 2344 C ILE A 167 -5.738 -0.048 2.009 1.00 0.22 C ATOM 2345 O ILE A 167 -4.610 0.105 2.430 1.00 0.35 O ATOM 2346 CB ILE A 167 -6.604 -1.089 -0.092 1.00 0.20 C ATOM 2347 CG1 ILE A 167 -6.944 -2.416 -0.775 1.00 0.18 C ATOM 2348 CG2 ILE A 167 -5.462 -0.399 -0.856 1.00 0.25 C ATOM 2349 CD1 ILE A 167 -7.613 -2.142 -2.123 1.00 0.18 C ATOM 0 H ILE A 167 -8.171 -2.077 1.618 1.00 0.22 H new ATOM 0 HA ILE A 167 -5.335 -2.063 1.343 1.00 0.19 H new ATOM 0 HB ILE A 167 -7.480 -0.440 -0.091 1.00 0.20 H new ATOM 0 HG12 ILE A 167 -6.038 -3.005 -0.920 1.00 0.18 H new ATOM 0 HG13 ILE A 167 -7.608 -3.004 -0.141 1.00 0.18 H new ATOM 0 HG21 ILE A 167 -5.775 -0.207 -1.882 1.00 0.25 H new ATOM 0 HG22 ILE A 167 -5.217 0.545 -0.369 1.00 0.25 H new ATOM 0 HG23 ILE A 167 -4.584 -1.045 -0.859 1.00 0.25 H new ATOM 0 HD11 ILE A 167 -7.855 -3.088 -2.608 1.00 0.18 H new ATOM 0 HD12 ILE A 167 -8.528 -1.571 -1.966 1.00 0.18 H new ATOM 0 HD13 ILE A 167 -6.934 -1.572 -2.757 1.00 0.18 H new ATOM 2361 N LEU A 168 -6.626 0.900 2.092 1.00 0.11 N ATOM 2362 CA LEU A 168 -6.272 2.204 2.715 1.00 0.16 C ATOM 2363 C LEU A 168 -5.825 1.979 4.164 1.00 0.18 C ATOM 2364 O LEU A 168 -5.156 2.806 4.751 1.00 0.21 O ATOM 2365 CB LEU A 168 -7.498 3.121 2.693 1.00 0.16 C ATOM 2366 CG LEU A 168 -8.004 3.274 1.256 1.00 0.13 C ATOM 2367 CD1 LEU A 168 -9.466 3.721 1.273 1.00 0.49 C ATOM 2368 CD2 LEU A 168 -7.162 4.323 0.529 1.00 0.35 C ATOM 0 H LEU A 168 -7.586 0.828 1.754 1.00 0.11 H new ATOM 0 HA LEU A 168 -5.458 2.666 2.157 1.00 0.16 H new ATOM 0 HB2 LEU A 168 -8.285 2.707 3.323 1.00 0.16 H new ATOM 0 HB3 LEU A 168 -7.241 4.097 3.104 1.00 0.16 H new ATOM 0 HG LEU A 168 -7.922 2.318 0.740 1.00 0.13 H new ATOM 0 HD11 LEU A 168 -9.825 3.830 0.250 1.00 0.49 H new ATOM 0 HD12 LEU A 168 -10.068 2.975 1.792 1.00 0.49 H new ATOM 0 HD13 LEU A 168 -9.548 4.677 1.790 1.00 0.49 H new ATOM 0 HD21 LEU A 168 -7.521 4.433 -0.494 1.00 0.35 H new ATOM 0 HD22 LEU A 168 -7.244 5.279 1.047 1.00 0.35 H new ATOM 0 HD23 LEU A 168 -6.119 4.007 0.515 1.00 0.35 H new ATOM 2380 N ARG A 169 -6.188 0.866 4.746 1.00 0.17 N ATOM 2381 CA ARG A 169 -5.782 0.595 6.156 1.00 0.19 C ATOM 2382 C ARG A 169 -4.316 0.152 6.193 1.00 0.21 C ATOM 2383 O ARG A 169 -3.594 0.444 7.125 1.00 0.23 O ATOM 2384 CB ARG A 169 -6.665 -0.509 6.738 1.00 0.19 C ATOM 2385 CG ARG A 169 -6.395 -0.638 8.238 1.00 0.42 C ATOM 2386 CD ARG A 169 -5.356 -1.735 8.477 1.00 1.63 C ATOM 2387 NE ARG A 169 -4.460 -1.335 9.599 1.00 2.34 N ATOM 2388 CZ ARG A 169 -4.794 -1.606 10.830 1.00 2.08 C ATOM 2389 NH1 ARG A 169 -5.879 -1.091 11.342 1.00 1.28 N ATOM 2390 NH2 ARG A 169 -4.043 -2.393 11.552 1.00 2.98 N ATOM 0 H ARG A 169 -6.747 0.135 4.307 1.00 0.17 H new ATOM 0 HA ARG A 169 -5.899 1.503 6.747 1.00 0.19 H new ATOM 0 HB2 ARG A 169 -7.716 -0.278 6.565 1.00 0.19 H new ATOM 0 HB3 ARG A 169 -6.460 -1.455 6.238 1.00 0.19 H new ATOM 0 HG2 ARG A 169 -6.036 0.311 8.637 1.00 0.42 H new ATOM 0 HG3 ARG A 169 -7.319 -0.876 8.765 1.00 0.42 H new ATOM 0 HD2 ARG A 169 -5.853 -2.676 8.712 1.00 1.63 H new ATOM 0 HD3 ARG A 169 -4.771 -1.900 7.572 1.00 1.63 H new ATOM 0 HE ARG A 169 -3.585 -0.849 9.404 1.00 2.34 H new ATOM 0 HH11 ARG A 169 -6.466 -0.476 10.779 1.00 1.28 H new ATOM 0 HH12 ARG A 169 -6.139 -1.304 12.305 1.00 1.28 H new ATOM 0 HH21 ARG A 169 -3.195 -2.796 11.153 1.00 2.98 H new ATOM 0 HH22 ARG A 169 -4.304 -2.605 12.515 1.00 2.98 H new ATOM 2404 N SER A 170 -3.866 -0.537 5.179 1.00 0.20 N ATOM 2405 CA SER A 170 -2.454 -0.977 5.148 1.00 0.21 C ATOM 2406 C SER A 170 -1.602 0.237 4.813 1.00 0.28 C ATOM 2407 O SER A 170 -0.717 0.600 5.544 1.00 0.45 O ATOM 2408 CB SER A 170 -2.272 -2.051 4.076 1.00 0.20 C ATOM 2409 OG SER A 170 -1.557 -3.150 4.626 1.00 0.37 O ATOM 0 H SER A 170 -4.423 -0.812 4.370 1.00 0.20 H new ATOM 0 HA SER A 170 -2.160 -1.397 6.110 1.00 0.21 H new ATOM 0 HB2 SER A 170 -3.243 -2.382 3.708 1.00 0.20 H new ATOM 0 HB3 SER A 170 -1.731 -1.641 3.223 1.00 0.20 H new ATOM 0 HG SER A 170 -2.158 -3.919 4.716 1.00 0.37 H new ATOM 2415 N PHE A 171 -1.883 0.891 3.720 1.00 0.18 N ATOM 2416 CA PHE A 171 -1.093 2.101 3.359 1.00 0.25 C ATOM 2417 C PHE A 171 -1.001 3.024 4.577 1.00 0.29 C ATOM 2418 O PHE A 171 0.035 3.569 4.872 1.00 0.40 O ATOM 2419 CB PHE A 171 -1.779 2.833 2.208 1.00 0.20 C ATOM 2420 CG PHE A 171 -1.467 2.139 0.902 1.00 0.20 C ATOM 2421 CD1 PHE A 171 -0.160 1.713 0.619 1.00 1.56 C ATOM 2422 CD2 PHE A 171 -2.487 1.927 -0.028 1.00 1.48 C ATOM 2423 CE1 PHE A 171 0.119 1.079 -0.596 1.00 1.50 C ATOM 2424 CE2 PHE A 171 -2.208 1.293 -1.244 1.00 1.55 C ATOM 2425 CZ PHE A 171 -0.904 0.869 -1.527 1.00 0.23 C ATOM 0 H PHE A 171 -2.623 0.641 3.064 1.00 0.18 H new ATOM 0 HA PHE A 171 -0.090 1.807 3.049 1.00 0.25 H new ATOM 0 HB2 PHE A 171 -2.857 2.856 2.370 1.00 0.20 H new ATOM 0 HB3 PHE A 171 -1.441 3.868 2.170 1.00 0.20 H new ATOM 0 HD1 PHE A 171 0.629 1.875 1.338 1.00 1.56 H new ATOM 0 HD2 PHE A 171 -3.493 2.253 0.192 1.00 1.48 H new ATOM 0 HE1 PHE A 171 1.124 0.751 -0.816 1.00 1.50 H new ATOM 0 HE2 PHE A 171 -2.997 1.131 -1.963 1.00 1.55 H new ATOM 0 HZ PHE A 171 -0.688 0.379 -2.465 1.00 0.23 H new ATOM 2435 N LYS A 172 -2.071 3.176 5.306 1.00 0.26 N ATOM 2436 CA LYS A 172 -2.022 4.044 6.513 1.00 0.37 C ATOM 2437 C LYS A 172 -0.942 3.523 7.468 1.00 0.40 C ATOM 2438 O LYS A 172 0.110 4.116 7.618 1.00 0.39 O ATOM 2439 CB LYS A 172 -3.381 4.020 7.219 1.00 0.39 C ATOM 2440 CG LYS A 172 -3.825 5.452 7.526 1.00 0.52 C ATOM 2441 CD LYS A 172 -5.011 5.824 6.634 1.00 1.31 C ATOM 2442 CE LYS A 172 -5.287 7.327 6.744 1.00 1.15 C ATOM 2443 NZ LYS A 172 -6.346 7.571 7.767 1.00 2.07 N ATOM 0 H LYS A 172 -2.973 2.739 5.119 1.00 0.26 H new ATOM 0 HA LYS A 172 -1.787 5.066 6.216 1.00 0.37 H new ATOM 0 HB2 LYS A 172 -4.121 3.526 6.589 1.00 0.39 H new ATOM 0 HB3 LYS A 172 -3.313 3.444 8.142 1.00 0.39 H new ATOM 0 HG2 LYS A 172 -4.105 5.539 8.576 1.00 0.52 H new ATOM 0 HG3 LYS A 172 -2.999 6.143 7.358 1.00 0.52 H new ATOM 0 HD2 LYS A 172 -4.797 5.558 5.599 1.00 1.31 H new ATOM 0 HD3 LYS A 172 -5.894 5.259 6.932 1.00 1.31 H new ATOM 0 HE2 LYS A 172 -4.374 7.855 7.019 1.00 1.15 H new ATOM 0 HE3 LYS A 172 -5.604 7.720 5.778 1.00 1.15 H new ATOM 0 HZ1 LYS A 172 -6.531 8.592 7.839 1.00 2.07 H new ATOM 0 HZ2 LYS A 172 -7.219 7.080 7.487 1.00 2.07 H new ATOM 0 HZ3 LYS A 172 -6.027 7.211 8.689 1.00 2.07 H new ATOM 2457 N GLU A 173 -1.192 2.416 8.114 1.00 0.45 N ATOM 2458 CA GLU A 173 -0.181 1.861 9.060 1.00 0.50 C ATOM 2459 C GLU A 173 1.044 1.368 8.285 1.00 0.52 C ATOM 2460 O GLU A 173 2.129 1.882 8.444 1.00 0.54 O ATOM 2461 CB GLU A 173 -0.795 0.697 9.840 1.00 0.54 C ATOM 2462 CG GLU A 173 -0.278 0.716 11.281 1.00 0.67 C ATOM 2463 CD GLU A 173 0.037 -0.711 11.732 1.00 1.18 C ATOM 2464 OE1 GLU A 173 -0.474 -1.632 11.117 1.00 1.34 O ATOM 2465 OE2 GLU A 173 0.784 -0.859 12.685 1.00 2.04 O ATOM 0 H GLU A 173 -2.051 1.873 8.028 1.00 0.45 H new ATOM 0 HA GLU A 173 0.126 2.643 9.754 1.00 0.50 H new ATOM 0 HB2 GLU A 173 -1.882 0.774 9.832 1.00 0.54 H new ATOM 0 HB3 GLU A 173 -0.539 -0.249 9.363 1.00 0.54 H new ATOM 0 HG2 GLU A 173 0.616 1.335 11.349 1.00 0.67 H new ATOM 0 HG3 GLU A 173 -1.024 1.160 11.940 1.00 0.67 H new ATOM 2472 N PHE A 174 0.868 0.361 7.461 1.00 0.50 N ATOM 2473 CA PHE A 174 2.003 -0.213 6.657 1.00 0.52 C ATOM 2474 C PHE A 174 2.992 0.874 6.201 1.00 0.53 C ATOM 2475 O PHE A 174 4.146 0.860 6.582 1.00 0.60 O ATOM 2476 CB PHE A 174 1.440 -0.924 5.423 1.00 0.48 C ATOM 2477 CG PHE A 174 2.521 -1.763 4.796 1.00 0.54 C ATOM 2478 CD1 PHE A 174 3.440 -1.169 3.928 1.00 1.28 C ATOM 2479 CD2 PHE A 174 2.605 -3.128 5.086 1.00 0.77 C ATOM 2480 CE1 PHE A 174 4.455 -1.941 3.350 1.00 1.55 C ATOM 2481 CE2 PHE A 174 3.619 -3.902 4.506 1.00 0.71 C ATOM 2482 CZ PHE A 174 4.544 -3.308 3.638 1.00 0.99 C ATOM 0 H PHE A 174 -0.030 -0.097 7.307 1.00 0.50 H new ATOM 0 HA PHE A 174 2.541 -0.914 7.295 1.00 0.52 H new ATOM 0 HB2 PHE A 174 0.594 -1.551 5.705 1.00 0.48 H new ATOM 0 HB3 PHE A 174 1.069 -0.192 4.705 1.00 0.48 H new ATOM 0 HD1 PHE A 174 3.368 -0.115 3.703 1.00 1.28 H new ATOM 0 HD2 PHE A 174 1.891 -3.585 5.755 1.00 0.77 H new ATOM 0 HE1 PHE A 174 5.169 -1.482 2.682 1.00 1.55 H new ATOM 0 HE2 PHE A 174 3.687 -4.957 4.728 1.00 0.71 H new ATOM 0 HZ PHE A 174 5.326 -3.904 3.191 1.00 0.99 H new ATOM 2492 N LEU A 175 2.567 1.810 5.389 1.00 0.46 N ATOM 2493 CA LEU A 175 3.519 2.868 4.932 1.00 0.47 C ATOM 2494 C LEU A 175 4.114 3.572 6.152 1.00 0.49 C ATOM 2495 O LEU A 175 5.288 3.876 6.192 1.00 0.50 O ATOM 2496 CB LEU A 175 2.785 3.895 4.068 1.00 0.47 C ATOM 2497 CG LEU A 175 2.293 3.232 2.777 1.00 0.51 C ATOM 2498 CD1 LEU A 175 1.256 4.129 2.108 1.00 0.46 C ATOM 2499 CD2 LEU A 175 3.471 3.032 1.821 1.00 0.49 C ATOM 0 H LEU A 175 1.616 1.887 5.027 1.00 0.46 H new ATOM 0 HA LEU A 175 4.312 2.406 4.345 1.00 0.47 H new ATOM 0 HB2 LEU A 175 1.941 4.310 4.619 1.00 0.47 H new ATOM 0 HB3 LEU A 175 3.450 4.725 3.830 1.00 0.47 H new ATOM 0 HG LEU A 175 1.847 2.267 3.016 1.00 0.51 H new ATOM 0 HD11 LEU A 175 0.906 3.658 1.190 1.00 0.46 H new ATOM 0 HD12 LEU A 175 0.414 4.278 2.784 1.00 0.46 H new ATOM 0 HD13 LEU A 175 1.707 5.093 1.872 1.00 0.46 H new ATOM 0 HD21 LEU A 175 3.119 2.560 0.904 1.00 0.49 H new ATOM 0 HD22 LEU A 175 3.916 3.999 1.585 1.00 0.49 H new ATOM 0 HD23 LEU A 175 4.218 2.394 2.293 1.00 0.49 H new ATOM 2511 N GLN A 176 3.316 3.836 7.153 1.00 0.48 N ATOM 2512 CA GLN A 176 3.842 4.522 8.371 1.00 0.50 C ATOM 2513 C GLN A 176 5.115 3.817 8.861 1.00 0.49 C ATOM 2514 O GLN A 176 6.172 4.411 8.950 1.00 0.35 O ATOM 2515 CB GLN A 176 2.782 4.471 9.474 1.00 0.47 C ATOM 2516 CG GLN A 176 2.404 5.894 9.891 1.00 0.70 C ATOM 2517 CD GLN A 176 2.548 6.032 11.407 1.00 0.97 C ATOM 2518 OE1 GLN A 176 3.616 5.829 11.948 1.00 1.98 O ATOM 2519 NE2 GLN A 176 1.510 6.371 12.121 1.00 1.03 N ATOM 0 H GLN A 176 2.323 3.606 7.180 1.00 0.48 H new ATOM 0 HA GLN A 176 4.077 5.558 8.127 1.00 0.50 H new ATOM 0 HB2 GLN A 176 1.899 3.939 9.119 1.00 0.47 H new ATOM 0 HB3 GLN A 176 3.163 3.919 10.333 1.00 0.47 H new ATOM 0 HG2 GLN A 176 3.046 6.616 9.386 1.00 0.70 H new ATOM 0 HG3 GLN A 176 1.380 6.113 9.590 1.00 0.70 H new ATOM 0 HE21 GLN A 176 0.613 6.542 11.667 1.00 1.03 H new ATOM 0 HE22 GLN A 176 1.596 6.465 13.133 1.00 1.03 H new ATOM 2528 N SER A 177 5.017 2.555 9.176 1.00 0.69 N ATOM 2529 CA SER A 177 6.212 1.810 9.658 1.00 0.70 C ATOM 2530 C SER A 177 7.307 1.854 8.591 1.00 0.61 C ATOM 2531 O SER A 177 8.480 1.826 8.898 1.00 0.55 O ATOM 2532 CB SER A 177 5.826 0.357 9.932 1.00 0.84 C ATOM 2533 OG SER A 177 5.383 0.233 11.277 1.00 1.31 O ATOM 0 H SER A 177 4.158 2.007 9.120 1.00 0.69 H new ATOM 0 HA SER A 177 6.582 2.269 10.575 1.00 0.70 H new ATOM 0 HB2 SER A 177 5.038 0.043 9.247 1.00 0.84 H new ATOM 0 HB3 SER A 177 6.680 -0.297 9.757 1.00 0.84 H new ATOM 0 HG SER A 177 5.133 -0.698 11.455 1.00 1.31 H new ATOM 2539 N SER A 178 6.936 1.922 7.340 1.00 0.63 N ATOM 2540 CA SER A 178 7.968 1.968 6.265 1.00 0.58 C ATOM 2541 C SER A 178 8.823 3.225 6.440 1.00 0.46 C ATOM 2542 O SER A 178 10.017 3.212 6.221 1.00 0.42 O ATOM 2543 CB SER A 178 7.289 1.996 4.895 1.00 0.63 C ATOM 2544 OG SER A 178 6.541 0.800 4.717 1.00 1.92 O ATOM 0 H SER A 178 5.969 1.948 7.018 1.00 0.63 H new ATOM 0 HA SER A 178 8.600 1.083 6.331 1.00 0.58 H new ATOM 0 HB2 SER A 178 6.633 2.863 4.819 1.00 0.63 H new ATOM 0 HB3 SER A 178 8.037 2.092 4.108 1.00 0.63 H new ATOM 0 HG SER A 178 5.757 0.814 5.304 1.00 1.92 H new ATOM 2550 N LEU A 179 8.220 4.311 6.842 1.00 0.42 N ATOM 2551 CA LEU A 179 8.995 5.569 7.043 1.00 0.32 C ATOM 2552 C LEU A 179 9.917 5.401 8.254 1.00 0.26 C ATOM 2553 O LEU A 179 11.062 5.808 8.241 1.00 0.22 O ATOM 2554 CB LEU A 179 8.030 6.723 7.315 1.00 0.36 C ATOM 2555 CG LEU A 179 7.565 7.330 5.994 1.00 0.28 C ATOM 2556 CD1 LEU A 179 6.169 6.807 5.660 1.00 0.28 C ATOM 2557 CD2 LEU A 179 7.521 8.854 6.126 1.00 0.48 C ATOM 0 H LEU A 179 7.222 4.381 7.040 1.00 0.42 H new ATOM 0 HA LEU A 179 9.583 5.782 6.150 1.00 0.32 H new ATOM 0 HB2 LEU A 179 7.172 6.365 7.883 1.00 0.36 H new ATOM 0 HB3 LEU A 179 8.520 7.484 7.923 1.00 0.36 H new ATOM 0 HG LEU A 179 8.257 7.052 5.199 1.00 0.28 H new ATOM 0 HD11 LEU A 179 5.835 7.239 4.717 1.00 0.28 H new ATOM 0 HD12 LEU A 179 6.199 5.721 5.571 1.00 0.28 H new ATOM 0 HD13 LEU A 179 5.476 7.087 6.453 1.00 0.28 H new ATOM 0 HD21 LEU A 179 7.189 9.291 5.184 1.00 0.48 H new ATOM 0 HD22 LEU A 179 6.826 9.131 6.919 1.00 0.48 H new ATOM 0 HD23 LEU A 179 8.516 9.227 6.369 1.00 0.48 H new ATOM 2569 N ARG A 180 9.417 4.808 9.306 1.00 0.25 N ATOM 2570 CA ARG A 180 10.248 4.614 10.530 1.00 0.22 C ATOM 2571 C ARG A 180 11.342 3.575 10.262 1.00 0.19 C ATOM 2572 O ARG A 180 12.332 3.510 10.964 1.00 0.23 O ATOM 2573 CB ARG A 180 9.360 4.113 11.673 1.00 0.25 C ATOM 2574 CG ARG A 180 8.537 5.272 12.240 1.00 0.67 C ATOM 2575 CD ARG A 180 7.862 4.827 13.540 1.00 0.68 C ATOM 2576 NE ARG A 180 7.245 3.482 13.349 1.00 1.94 N ATOM 2577 CZ ARG A 180 7.489 2.522 14.200 1.00 2.63 C ATOM 2578 NH1 ARG A 180 7.283 2.713 15.475 1.00 2.50 N ATOM 2579 NH2 ARG A 180 7.938 1.372 13.776 1.00 3.92 N ATOM 0 H ARG A 180 8.465 4.448 9.370 1.00 0.25 H new ATOM 0 HA ARG A 180 10.707 5.565 10.800 1.00 0.22 H new ATOM 0 HB2 ARG A 180 8.697 3.327 11.312 1.00 0.25 H new ATOM 0 HB3 ARG A 180 9.976 3.675 12.458 1.00 0.25 H new ATOM 0 HG2 ARG A 180 9.180 6.132 12.427 1.00 0.67 H new ATOM 0 HG3 ARG A 180 7.785 5.587 11.516 1.00 0.67 H new ATOM 0 HD2 ARG A 180 8.593 4.791 14.348 1.00 0.68 H new ATOM 0 HD3 ARG A 180 7.100 5.550 13.832 1.00 0.68 H new ATOM 0 HE ARG A 180 6.631 3.312 12.552 1.00 1.94 H new ATOM 0 HH11 ARG A 180 6.932 3.612 15.806 1.00 2.50 H new ATOM 0 HH12 ARG A 180 7.473 1.964 16.140 1.00 2.50 H new ATOM 0 HH21 ARG A 180 8.098 1.223 12.780 1.00 3.92 H new ATOM 0 HH22 ARG A 180 8.129 0.622 14.441 1.00 3.92 H new ATOM 2593 N ALA A 181 11.176 2.758 9.256 1.00 0.16 N ATOM 2594 CA ALA A 181 12.208 1.727 8.961 1.00 0.18 C ATOM 2595 C ALA A 181 13.269 2.324 8.041 1.00 0.23 C ATOM 2596 O ALA A 181 14.429 1.967 8.100 1.00 0.33 O ATOM 2597 CB ALA A 181 11.550 0.520 8.286 1.00 0.32 C ATOM 0 H ALA A 181 10.372 2.761 8.628 1.00 0.16 H new ATOM 0 HA ALA A 181 12.678 1.402 9.889 1.00 0.18 H new ATOM 0 HB1 ALA A 181 12.307 -0.234 8.071 1.00 0.32 H new ATOM 0 HB2 ALA A 181 10.796 0.098 8.950 1.00 0.32 H new ATOM 0 HB3 ALA A 181 11.078 0.836 7.356 1.00 0.32 H new ATOM 2603 N LEU A 182 12.887 3.244 7.200 1.00 0.21 N ATOM 2604 CA LEU A 182 13.883 3.872 6.293 1.00 0.25 C ATOM 2605 C LEU A 182 14.700 4.884 7.094 1.00 0.23 C ATOM 2606 O LEU A 182 15.850 5.146 6.803 1.00 0.28 O ATOM 2607 CB LEU A 182 13.163 4.582 5.144 1.00 0.30 C ATOM 2608 CG LEU A 182 13.169 3.678 3.911 1.00 0.56 C ATOM 2609 CD1 LEU A 182 12.054 2.638 4.035 1.00 1.22 C ATOM 2610 CD2 LEU A 182 12.942 4.523 2.655 1.00 0.75 C ATOM 0 H LEU A 182 11.931 3.586 7.103 1.00 0.21 H new ATOM 0 HA LEU A 182 14.540 3.108 5.877 1.00 0.25 H new ATOM 0 HB2 LEU A 182 12.138 4.818 5.432 1.00 0.30 H new ATOM 0 HB3 LEU A 182 13.657 5.527 4.919 1.00 0.30 H new ATOM 0 HG LEU A 182 14.132 3.172 3.838 1.00 0.56 H new ATOM 0 HD11 LEU A 182 12.058 1.993 3.156 1.00 1.22 H new ATOM 0 HD12 LEU A 182 12.217 2.035 4.928 1.00 1.22 H new ATOM 0 HD13 LEU A 182 11.091 3.144 4.109 1.00 1.22 H new ATOM 0 HD21 LEU A 182 12.946 3.878 1.777 1.00 0.75 H new ATOM 0 HD22 LEU A 182 11.980 5.031 2.727 1.00 0.75 H new ATOM 0 HD23 LEU A 182 13.737 5.263 2.566 1.00 0.75 H new ATOM 2622 N ARG A 183 14.109 5.445 8.115 1.00 0.18 N ATOM 2623 CA ARG A 183 14.838 6.433 8.957 1.00 0.17 C ATOM 2624 C ARG A 183 15.722 5.682 9.953 1.00 0.20 C ATOM 2625 O ARG A 183 16.813 6.108 10.278 1.00 0.37 O ATOM 2626 CB ARG A 183 13.826 7.289 9.720 1.00 0.14 C ATOM 2627 CG ARG A 183 14.500 8.572 10.205 1.00 0.50 C ATOM 2628 CD ARG A 183 13.924 9.764 9.443 1.00 0.86 C ATOM 2629 NE ARG A 183 12.436 9.740 9.535 1.00 1.65 N ATOM 2630 CZ ARG A 183 11.853 9.864 10.695 1.00 2.12 C ATOM 2631 NH1 ARG A 183 12.322 10.709 11.572 1.00 1.47 N ATOM 2632 NH2 ARG A 183 10.803 9.143 10.982 1.00 3.58 N ATOM 0 H ARG A 183 13.148 5.259 8.402 1.00 0.18 H new ATOM 0 HA ARG A 183 15.455 7.074 8.327 1.00 0.17 H new ATOM 0 HB2 ARG A 183 12.981 7.532 9.076 1.00 0.14 H new ATOM 0 HB3 ARG A 183 13.430 6.731 10.569 1.00 0.14 H new ATOM 0 HG2 ARG A 183 14.340 8.698 11.276 1.00 0.50 H new ATOM 0 HG3 ARG A 183 15.577 8.512 10.049 1.00 0.50 H new ATOM 0 HD2 ARG A 183 14.310 10.695 9.858 1.00 0.86 H new ATOM 0 HD3 ARG A 183 14.235 9.727 8.399 1.00 0.86 H new ATOM 0 HE ARG A 183 11.874 9.627 8.691 1.00 1.65 H new ATOM 0 HH11 ARG A 183 13.143 11.271 11.350 1.00 1.47 H new ATOM 0 HH12 ARG A 183 11.867 10.807 12.480 1.00 1.47 H new ATOM 0 HH21 ARG A 183 10.437 8.481 10.298 1.00 3.58 H new ATOM 0 HH22 ARG A 183 10.349 9.242 11.890 1.00 3.58 H new ATOM 2646 N GLN A 184 15.256 4.563 10.435 1.00 0.08 N ATOM 2647 CA GLN A 184 16.063 3.774 11.407 1.00 0.10 C ATOM 2648 C GLN A 184 17.173 3.031 10.663 1.00 0.23 C ATOM 2649 O GLN A 184 18.171 2.649 11.240 1.00 0.30 O ATOM 2650 CB GLN A 184 15.162 2.759 12.116 1.00 0.07 C ATOM 2651 CG GLN A 184 14.270 3.478 13.131 1.00 0.62 C ATOM 2652 CD GLN A 184 14.826 3.271 14.542 1.00 0.37 C ATOM 2653 OE1 GLN A 184 15.560 2.334 14.788 1.00 1.10 O ATOM 2654 NE2 GLN A 184 14.505 4.112 15.487 1.00 1.17 N ATOM 0 H GLN A 184 14.349 4.161 10.197 1.00 0.08 H new ATOM 0 HA GLN A 184 16.503 4.448 12.143 1.00 0.10 H new ATOM 0 HB2 GLN A 184 14.547 2.233 11.386 1.00 0.07 H new ATOM 0 HB3 GLN A 184 15.771 2.008 12.620 1.00 0.07 H new ATOM 0 HG2 GLN A 184 14.224 4.542 12.900 1.00 0.62 H new ATOM 0 HG3 GLN A 184 13.251 3.095 13.071 1.00 0.62 H new ATOM 0 HE21 GLN A 184 13.889 4.899 15.282 1.00 1.17 H new ATOM 0 HE22 GLN A 184 14.870 3.982 16.431 1.00 1.17 H new ATOM 2663 N MET A 185 17.007 2.817 9.386 1.00 0.30 N ATOM 2664 CA MET A 185 18.052 2.094 8.615 1.00 0.44 C ATOM 2665 C MET A 185 19.384 2.839 8.737 1.00 0.40 C ATOM 2666 O MET A 185 20.182 2.451 9.575 1.00 1.65 O ATOM 2667 CB MET A 185 17.642 2.014 7.143 1.00 0.58 C ATOM 2668 CG MET A 185 16.873 0.713 6.899 1.00 0.48 C ATOM 2669 SD MET A 185 16.142 0.742 5.245 1.00 0.78 S ATOM 2670 CE MET A 185 14.611 -0.129 5.661 1.00 0.53 C ATOM 2671 OXT MET A 185 19.582 3.784 7.992 1.00 0.71 O ATOM 0 H MET A 185 16.193 3.112 8.846 1.00 0.30 H new ATOM 0 HA MET A 185 18.163 1.085 9.013 1.00 0.44 H new ATOM 0 HB2 MET A 185 17.022 2.871 6.880 1.00 0.58 H new ATOM 0 HB3 MET A 185 18.525 2.052 6.506 1.00 0.58 H new ATOM 0 HG2 MET A 185 17.543 -0.141 6.997 1.00 0.48 H new ATOM 0 HG3 MET A 185 16.093 0.593 7.651 1.00 0.48 H new ATOM 0 HE1 MET A 185 14.242 -0.656 4.781 1.00 0.53 H new ATOM 0 HE2 MET A 185 14.805 -0.846 6.459 1.00 0.53 H new ATOM 0 HE3 MET A 185 13.862 0.590 5.994 1.00 0.53 H new