USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 801 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 91 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 96 SER OG : rot 180:sc= -0.165 USER MOD Set 2.1: A 64 GLN :FLIP amide:sc= -2.98! C(o=-10!,f=-7.9!) USER MOD Set 2.2: A 74 SER OG : rot -63:sc= 0.545 USER MOD Set 2.3: A 76 GLN : amide:sc= -5.41! C(o=-7.9!,f=-10!) USER MOD Set 3.1: A 32 CYS SG : rot -10:sc= -1.13! USER MOD Set 3.2: A 35 CYS SG : rot 180:sc= 0.641 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 55:sc= 1.21 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 15 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.1) USER MOD Single : A 17 GLN : amide:sc= 0.206 X(o=0.21,f=-0.071) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0356 X(o=-0.036,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.483 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.26) USER MOD Single : A 63 THR OG1 : rot -148:sc= 0.0812 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.0595 K(o=-0.059,f=-1.9!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot -23:sc= 0.238 USER MOD Single : A 78 THR OG1 : rot -72:sc= -0.792 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 93:sc= 0.685 USER MOD Single : A 105 THR OG1 : rot 105:sc= 0.763 USER MOD ----------------------------------------------------------------- ATOM 49 N VAL A 5 -3.796 2.787 -10.881 1.00 54.20 N ATOM 50 CA VAL A 5 -4.512 3.608 -11.851 1.00 3.13 C ATOM 51 C VAL A 5 -5.825 4.124 -11.272 1.00 64.41 C ATOM 52 O VAL A 5 -6.531 3.401 -10.570 1.00 64.41 O ATOM 53 CB VAL A 5 -4.806 2.823 -13.143 1.00 21.34 C ATOM 54 CG1 VAL A 5 -5.695 3.636 -14.071 1.00 70.41 C ATOM 55 CG2 VAL A 5 -3.509 2.435 -13.837 1.00 11.01 C ATOM 0 HA VAL A 5 -3.866 4.453 -12.088 1.00 3.13 H new ATOM 0 HB VAL A 5 -5.338 1.909 -12.879 1.00 21.34 H new ATOM 0 HG11 VAL A 5 -5.892 3.065 -14.979 1.00 70.41 H new ATOM 0 HG12 VAL A 5 -6.637 3.858 -13.570 1.00 70.41 H new ATOM 0 HG13 VAL A 5 -5.194 4.568 -14.330 1.00 70.41 H new ATOM 0 HG21 VAL A 5 -3.735 1.881 -14.748 1.00 11.01 H new ATOM 0 HG22 VAL A 5 -2.948 3.335 -14.089 1.00 11.01 H new ATOM 0 HG23 VAL A 5 -2.913 1.811 -13.171 1.00 11.01 H new ATOM 65 N GLU A 6 -6.145 5.378 -11.573 1.00 13.24 N ATOM 66 CA GLU A 6 -7.374 5.990 -11.081 1.00 52.44 C ATOM 67 C GLU A 6 -8.228 6.501 -12.239 1.00 2.44 C ATOM 68 O GLU A 6 -7.737 7.137 -13.172 1.00 1.02 O ATOM 69 CB GLU A 6 -7.051 7.140 -10.125 1.00 43.33 C ATOM 70 CG GLU A 6 -7.245 6.787 -8.660 1.00 74.04 C ATOM 71 CD GLU A 6 -5.945 6.427 -7.969 1.00 64.33 C ATOM 72 OE1 GLU A 6 -5.913 5.394 -7.268 1.00 24.04 O ATOM 73 OE2 GLU A 6 -4.959 7.177 -8.130 1.00 34.24 O ATOM 0 H GLU A 6 -5.572 5.989 -12.154 1.00 13.24 H new ATOM 0 HA GLU A 6 -7.939 5.229 -10.543 1.00 52.44 H new ATOM 0 HB2 GLU A 6 -6.018 7.452 -10.281 1.00 43.33 H new ATOM 0 HB3 GLU A 6 -7.682 7.994 -10.371 1.00 43.33 H new ATOM 0 HG2 GLU A 6 -7.704 7.631 -8.145 1.00 74.04 H new ATOM 0 HG3 GLU A 6 -7.938 5.949 -8.581 1.00 74.04 H new ATOM 80 N PRO A 7 -9.537 6.217 -12.178 1.00 12.21 N ATOM 81 CA PRO A 7 -10.487 6.638 -13.212 1.00 13.11 C ATOM 82 C PRO A 7 -10.715 8.146 -13.211 1.00 65.12 C ATOM 83 O PRO A 7 -10.633 8.795 -12.168 1.00 44.33 O ATOM 84 CB PRO A 7 -11.775 5.903 -12.831 1.00 2.11 C ATOM 85 CG PRO A 7 -11.656 5.667 -11.365 1.00 35.12 C ATOM 86 CD PRO A 7 -10.191 5.464 -11.095 1.00 72.50 C ATOM 0 HA PRO A 7 -10.127 6.405 -14.214 1.00 13.11 H new ATOM 0 HB2 PRO A 7 -12.656 6.500 -13.066 1.00 2.11 H new ATOM 0 HB3 PRO A 7 -11.872 4.964 -13.377 1.00 2.11 H new ATOM 0 HG2 PRO A 7 -12.043 6.516 -10.801 1.00 35.12 H new ATOM 0 HG3 PRO A 7 -12.233 4.793 -11.062 1.00 35.12 H new ATOM 0 HD2 PRO A 7 -9.907 5.843 -10.113 1.00 72.50 H new ATOM 0 HD3 PRO A 7 -9.920 4.408 -11.119 1.00 72.50 H new ATOM 94 N TYR A 8 -11.001 8.697 -14.385 1.00 64.25 N ATOM 95 CA TYR A 8 -11.238 10.129 -14.520 1.00 41.12 C ATOM 96 C TYR A 8 -11.749 10.722 -13.211 1.00 13.21 C ATOM 97 O TYR A 8 -12.647 10.170 -12.575 1.00 52.12 O ATOM 98 CB TYR A 8 -12.243 10.398 -15.642 1.00 20.44 C ATOM 99 CG TYR A 8 -13.384 9.407 -15.682 1.00 34.23 C ATOM 100 CD1 TYR A 8 -13.424 8.401 -16.640 1.00 1.30 C ATOM 101 CD2 TYR A 8 -14.424 9.476 -14.762 1.00 43.42 C ATOM 102 CE1 TYR A 8 -14.465 7.494 -16.681 1.00 51.20 C ATOM 103 CE2 TYR A 8 -15.468 8.573 -14.795 1.00 20.22 C ATOM 104 CZ TYR A 8 -15.484 7.584 -15.756 1.00 73.31 C ATOM 105 OH TYR A 8 -16.524 6.683 -15.793 1.00 24.52 O ATOM 0 H TYR A 8 -11.074 8.173 -15.257 1.00 64.25 H new ATOM 0 HA TYR A 8 -10.290 10.606 -14.769 1.00 41.12 H new ATOM 0 HB2 TYR A 8 -12.649 11.402 -15.522 1.00 20.44 H new ATOM 0 HB3 TYR A 8 -11.721 10.378 -16.599 1.00 20.44 H new ATOM 0 HD1 TYR A 8 -12.627 8.327 -17.365 1.00 1.30 H new ATOM 0 HD2 TYR A 8 -14.415 10.249 -14.008 1.00 43.42 H new ATOM 0 HE1 TYR A 8 -14.481 6.719 -17.433 1.00 51.20 H new ATOM 0 HE2 TYR A 8 -16.268 8.641 -14.072 1.00 20.22 H new ATOM 0 HH TYR A 8 -17.157 6.884 -15.073 1.00 24.52 H new ATOM 115 N SER A 9 -11.171 11.851 -12.815 1.00 2.35 N ATOM 116 CA SER A 9 -11.565 12.519 -11.580 1.00 5.44 C ATOM 117 C SER A 9 -10.726 13.773 -11.349 1.00 22.33 C ATOM 118 O SER A 9 -9.668 13.718 -10.721 1.00 12.31 O ATOM 119 CB SER A 9 -11.418 11.568 -10.391 1.00 23.42 C ATOM 120 OG SER A 9 -12.647 10.929 -10.094 1.00 74.21 O ATOM 0 H SER A 9 -10.428 12.323 -13.331 1.00 2.35 H new ATOM 0 HA SER A 9 -12.610 12.814 -11.673 1.00 5.44 H new ATOM 0 HB2 SER A 9 -10.659 10.818 -10.613 1.00 23.42 H new ATOM 0 HB3 SER A 9 -11.073 12.122 -9.518 1.00 23.42 H new ATOM 0 HG SER A 9 -12.987 10.483 -10.898 1.00 74.21 H new ATOM 126 N ASP A 10 -11.206 14.901 -11.861 1.00 22.51 N ATOM 127 CA ASP A 10 -10.502 16.169 -11.711 1.00 30.14 C ATOM 128 C ASP A 10 -10.255 16.482 -10.238 1.00 65.12 C ATOM 129 O ASP A 10 -9.322 17.209 -9.896 1.00 73.32 O ATOM 130 CB ASP A 10 -11.302 17.300 -12.358 1.00 11.42 C ATOM 131 CG ASP A 10 -12.538 17.666 -11.559 1.00 61.12 C ATOM 132 OD1 ASP A 10 -13.615 17.098 -11.838 1.00 64.41 O ATOM 133 OD2 ASP A 10 -12.428 18.520 -10.655 1.00 31.32 O ATOM 0 H ASP A 10 -12.080 14.963 -12.384 1.00 22.51 H new ATOM 0 HA ASP A 10 -9.538 16.083 -12.213 1.00 30.14 H new ATOM 0 HB2 ASP A 10 -10.666 18.179 -12.460 1.00 11.42 H new ATOM 0 HB3 ASP A 10 -11.598 17.002 -13.364 1.00 11.42 H new ATOM 138 N ALA A 11 -11.097 15.929 -9.371 1.00 65.13 N ATOM 139 CA ALA A 11 -10.969 16.148 -7.936 1.00 4.20 C ATOM 140 C ALA A 11 -9.929 15.213 -7.328 1.00 64.03 C ATOM 141 O ALA A 11 -9.441 15.446 -6.223 1.00 13.04 O ATOM 142 CB ALA A 11 -12.314 15.960 -7.251 1.00 53.44 C ATOM 0 H ALA A 11 -11.875 15.326 -9.638 1.00 65.13 H new ATOM 0 HA ALA A 11 -10.634 17.173 -7.779 1.00 4.20 H new ATOM 0 HB1 ALA A 11 -12.203 16.127 -6.180 1.00 53.44 H new ATOM 0 HB2 ALA A 11 -13.032 16.673 -7.657 1.00 53.44 H new ATOM 0 HB3 ALA A 11 -12.672 14.945 -7.425 1.00 53.44 H new ATOM 148 N ALA A 12 -9.594 14.154 -8.058 1.00 21.21 N ATOM 149 CA ALA A 12 -8.611 13.184 -7.591 1.00 2.32 C ATOM 150 C ALA A 12 -7.197 13.607 -7.976 1.00 31.20 C ATOM 151 O ALA A 12 -6.251 13.413 -7.213 1.00 22.14 O ATOM 152 CB ALA A 12 -8.923 11.805 -8.151 1.00 64.45 C ATOM 0 H ALA A 12 -9.989 13.946 -8.975 1.00 21.21 H new ATOM 0 HA ALA A 12 -8.666 13.143 -6.503 1.00 2.32 H new ATOM 0 HB1 ALA A 12 -8.181 11.091 -7.794 1.00 64.45 H new ATOM 0 HB2 ALA A 12 -9.914 11.494 -7.821 1.00 64.45 H new ATOM 0 HB3 ALA A 12 -8.898 11.840 -9.240 1.00 64.45 H new ATOM 158 N PHE A 13 -7.060 14.184 -9.165 1.00 14.41 N ATOM 159 CA PHE A 13 -5.761 14.633 -9.652 1.00 72.12 C ATOM 160 C PHE A 13 -5.031 15.445 -8.586 1.00 73.12 C ATOM 161 O PHE A 13 -3.805 15.396 -8.483 1.00 11.42 O ATOM 162 CB PHE A 13 -5.930 15.471 -10.921 1.00 52.00 C ATOM 163 CG PHE A 13 -4.675 16.179 -11.344 1.00 24.43 C ATOM 164 CD1 PHE A 13 -3.458 15.516 -11.346 1.00 4.53 C ATOM 165 CD2 PHE A 13 -4.711 17.506 -11.739 1.00 13.34 C ATOM 166 CE1 PHE A 13 -2.300 16.165 -11.734 1.00 72.54 C ATOM 167 CE2 PHE A 13 -3.557 18.159 -12.129 1.00 15.42 C ATOM 168 CZ PHE A 13 -2.350 17.488 -12.126 1.00 13.15 C ATOM 0 H PHE A 13 -7.833 14.352 -9.809 1.00 14.41 H new ATOM 0 HA PHE A 13 -5.164 13.751 -9.884 1.00 72.12 H new ATOM 0 HB2 PHE A 13 -6.263 14.824 -11.732 1.00 52.00 H new ATOM 0 HB3 PHE A 13 -6.716 16.208 -10.758 1.00 52.00 H new ATOM 0 HD1 PHE A 13 -3.413 14.481 -11.041 1.00 4.53 H new ATOM 0 HD2 PHE A 13 -5.652 18.037 -11.742 1.00 13.34 H new ATOM 0 HE1 PHE A 13 -1.358 15.638 -11.730 1.00 72.54 H new ATOM 0 HE2 PHE A 13 -3.599 19.194 -12.436 1.00 15.42 H new ATOM 0 HZ PHE A 13 -1.447 17.997 -12.430 1.00 13.15 H new ATOM 178 N THR A 14 -5.794 16.192 -7.795 1.00 12.54 N ATOM 179 CA THR A 14 -5.222 17.017 -6.738 1.00 23.33 C ATOM 180 C THR A 14 -4.963 16.196 -5.480 1.00 21.25 C ATOM 181 O THR A 14 -3.946 16.374 -4.810 1.00 64.14 O ATOM 182 CB THR A 14 -6.144 18.199 -6.385 1.00 74.40 C ATOM 183 OG1 THR A 14 -7.511 17.771 -6.387 1.00 60.12 O ATOM 184 CG2 THR A 14 -5.963 19.340 -7.374 1.00 55.21 C ATOM 0 H THR A 14 -6.810 16.243 -7.866 1.00 12.54 H new ATOM 0 HA THR A 14 -4.277 17.405 -7.117 1.00 23.33 H new ATOM 0 HB THR A 14 -5.877 18.556 -5.390 1.00 74.40 H new ATOM 0 HG1 THR A 14 -8.091 18.528 -6.160 1.00 60.12 H new ATOM 0 HG21 THR A 14 -6.624 20.163 -7.104 1.00 55.21 H new ATOM 0 HG22 THR A 14 -4.928 19.682 -7.349 1.00 55.21 H new ATOM 0 HG23 THR A 14 -6.206 18.993 -8.378 1.00 55.21 H new ATOM 192 N GLN A 15 -5.889 15.297 -5.164 1.00 74.53 N ATOM 193 CA GLN A 15 -5.760 14.448 -3.985 1.00 50.24 C ATOM 194 C GLN A 15 -4.583 13.489 -4.131 1.00 52.24 C ATOM 195 O GLN A 15 -3.992 13.062 -3.140 1.00 62.35 O ATOM 196 CB GLN A 15 -7.050 13.660 -3.754 1.00 72.34 C ATOM 197 CG GLN A 15 -8.297 14.529 -3.725 1.00 33.53 C ATOM 198 CD GLN A 15 -8.923 14.605 -2.346 1.00 25.12 C ATOM 199 OE1 GLN A 15 -8.247 14.417 -1.334 1.00 4.43 O ATOM 200 NE2 GLN A 15 -10.220 14.882 -2.298 1.00 74.35 N ATOM 0 H GLN A 15 -6.737 15.137 -5.708 1.00 74.53 H new ATOM 0 HA GLN A 15 -5.577 15.091 -3.124 1.00 50.24 H new ATOM 0 HB2 GLN A 15 -7.156 12.913 -4.541 1.00 72.34 H new ATOM 0 HB3 GLN A 15 -6.972 13.120 -2.811 1.00 72.34 H new ATOM 0 HG2 GLN A 15 -8.043 15.534 -4.060 1.00 33.53 H new ATOM 0 HG3 GLN A 15 -9.028 14.133 -4.430 1.00 33.53 H new ATOM 0 HE21 GLN A 15 -10.742 15.031 -3.162 1.00 74.35 H new ATOM 0 HE22 GLN A 15 -10.695 14.946 -1.398 1.00 74.35 H new ATOM 209 N ALA A 16 -4.249 13.155 -5.374 1.00 11.15 N ATOM 210 CA ALA A 16 -3.142 12.248 -5.649 1.00 61.10 C ATOM 211 C ALA A 16 -1.800 12.941 -5.442 1.00 44.33 C ATOM 212 O ALA A 16 -0.823 12.312 -5.037 1.00 4.41 O ATOM 213 CB ALA A 16 -3.245 11.705 -7.067 1.00 21.35 C ATOM 0 H ALA A 16 -4.729 13.499 -6.205 1.00 11.15 H new ATOM 0 HA ALA A 16 -3.203 11.416 -4.947 1.00 61.10 H new ATOM 0 HB1 ALA A 16 -2.412 11.029 -7.259 1.00 21.35 H new ATOM 0 HB2 ALA A 16 -4.185 11.165 -7.182 1.00 21.35 H new ATOM 0 HB3 ALA A 16 -3.212 12.532 -7.777 1.00 21.35 H new ATOM 219 N GLN A 17 -1.760 14.239 -5.724 1.00 42.55 N ATOM 220 CA GLN A 17 -0.536 15.017 -5.570 1.00 61.04 C ATOM 221 C GLN A 17 -0.418 15.571 -4.155 1.00 3.35 C ATOM 222 O GLN A 17 0.681 15.855 -3.678 1.00 51.45 O ATOM 223 CB GLN A 17 -0.503 16.162 -6.584 1.00 14.43 C ATOM 224 CG GLN A 17 -1.700 17.095 -6.487 1.00 33.42 C ATOM 225 CD GLN A 17 -1.642 18.225 -7.495 1.00 14.42 C ATOM 226 OE1 GLN A 17 -1.106 19.297 -7.212 1.00 52.34 O ATOM 227 NE2 GLN A 17 -2.196 17.992 -8.679 1.00 43.01 N ATOM 0 H GLN A 17 -2.561 14.774 -6.060 1.00 42.55 H new ATOM 0 HA GLN A 17 0.311 14.355 -5.753 1.00 61.04 H new ATOM 0 HB2 GLN A 17 0.410 16.739 -6.438 1.00 14.43 H new ATOM 0 HB3 GLN A 17 -0.459 15.744 -7.590 1.00 14.43 H new ATOM 0 HG2 GLN A 17 -2.615 16.523 -6.640 1.00 33.42 H new ATOM 0 HG3 GLN A 17 -1.750 17.512 -5.481 1.00 33.42 H new ATOM 0 HE21 GLN A 17 -2.629 17.089 -8.870 1.00 43.01 H new ATOM 0 HE22 GLN A 17 -2.188 18.716 -9.397 1.00 43.01 H new ATOM 236 N ALA A 18 -1.557 15.723 -3.487 1.00 23.12 N ATOM 237 CA ALA A 18 -1.581 16.242 -2.125 1.00 25.32 C ATOM 238 C ALA A 18 -1.315 15.134 -1.111 1.00 2.32 C ATOM 239 O ALA A 18 -1.375 15.359 0.098 1.00 63.10 O ATOM 240 CB ALA A 18 -2.916 16.913 -1.839 1.00 21.52 C ATOM 0 H ALA A 18 -2.475 15.494 -3.867 1.00 23.12 H new ATOM 0 HA ALA A 18 -0.787 16.983 -2.031 1.00 25.32 H new ATOM 0 HB1 ALA A 18 -2.920 17.296 -0.818 1.00 21.52 H new ATOM 0 HB2 ALA A 18 -3.066 17.737 -2.536 1.00 21.52 H new ATOM 0 HB3 ALA A 18 -3.721 16.187 -1.957 1.00 21.52 H new ATOM 246 N SER A 19 -1.022 13.938 -1.611 1.00 3.11 N ATOM 247 CA SER A 19 -0.751 12.794 -0.748 1.00 53.11 C ATOM 248 C SER A 19 0.748 12.524 -0.658 1.00 74.11 C ATOM 249 O SER A 19 1.213 11.841 0.253 1.00 1.34 O ATOM 250 CB SER A 19 -1.475 11.552 -1.271 1.00 64.31 C ATOM 251 OG SER A 19 -1.774 10.654 -0.216 1.00 63.24 O ATOM 0 H SER A 19 -0.966 13.736 -2.609 1.00 3.11 H new ATOM 0 HA SER A 19 -1.120 13.027 0.251 1.00 53.11 H new ATOM 0 HB2 SER A 19 -2.396 11.848 -1.773 1.00 64.31 H new ATOM 0 HB3 SER A 19 -0.854 11.051 -2.014 1.00 64.31 H new ATOM 0 HG SER A 19 -2.238 9.869 -0.576 1.00 63.24 H new ATOM 257 N GLY A 20 1.499 13.065 -1.612 1.00 53.45 N ATOM 258 CA GLY A 20 2.937 12.872 -1.624 1.00 31.11 C ATOM 259 C GLY A 20 3.339 11.549 -2.245 1.00 30.12 C ATOM 260 O GLY A 20 4.367 10.975 -1.887 1.00 32.51 O ATOM 0 H GLY A 20 1.137 13.634 -2.377 1.00 53.45 H new ATOM 0 HA2 GLY A 20 3.405 13.686 -2.177 1.00 31.11 H new ATOM 0 HA3 GLY A 20 3.316 12.921 -0.603 1.00 31.11 H new ATOM 264 N ALA A 21 2.526 11.063 -3.177 1.00 51.11 N ATOM 265 CA ALA A 21 2.803 9.800 -3.849 1.00 74.41 C ATOM 266 C ALA A 21 2.865 9.985 -5.362 1.00 24.55 C ATOM 267 O ALA A 21 2.358 10.961 -5.913 1.00 51.13 O ATOM 268 CB ALA A 21 1.747 8.766 -3.485 1.00 61.02 C ATOM 0 H ALA A 21 1.670 11.525 -3.484 1.00 51.11 H new ATOM 0 HA ALA A 21 3.777 9.444 -3.512 1.00 74.41 H new ATOM 0 HB1 ALA A 21 1.966 7.827 -3.994 1.00 61.02 H new ATOM 0 HB2 ALA A 21 1.753 8.604 -2.407 1.00 61.02 H new ATOM 0 HB3 ALA A 21 0.765 9.125 -3.793 1.00 61.02 H new ATOM 274 N PRO A 22 3.503 9.026 -6.050 1.00 22.03 N ATOM 275 CA PRO A 22 3.648 9.061 -7.508 1.00 54.30 C ATOM 276 C PRO A 22 2.323 8.833 -8.227 1.00 74.34 C ATOM 277 O PRO A 22 1.595 7.887 -7.923 1.00 53.55 O ATOM 278 CB PRO A 22 4.618 7.913 -7.796 1.00 73.14 C ATOM 279 CG PRO A 22 4.446 6.975 -6.651 1.00 40.53 C ATOM 280 CD PRO A 22 4.132 7.834 -5.457 1.00 62.41 C ATOM 0 HA PRO A 22 3.999 10.031 -7.860 1.00 54.30 H new ATOM 0 HB2 PRO A 22 4.386 7.427 -8.744 1.00 73.14 H new ATOM 0 HB3 PRO A 22 5.645 8.271 -7.864 1.00 73.14 H new ATOM 0 HG2 PRO A 22 3.641 6.266 -6.845 1.00 40.53 H new ATOM 0 HG3 PRO A 22 5.352 6.391 -6.485 1.00 40.53 H new ATOM 0 HD2 PRO A 22 3.460 7.328 -4.764 1.00 62.41 H new ATOM 0 HD3 PRO A 22 5.032 8.090 -4.899 1.00 62.41 H new ATOM 288 N VAL A 23 2.015 9.704 -9.183 1.00 64.12 N ATOM 289 CA VAL A 23 0.778 9.596 -9.947 1.00 63.22 C ATOM 290 C VAL A 23 0.915 10.262 -11.312 1.00 21.13 C ATOM 291 O VAL A 23 1.321 11.421 -11.411 1.00 74.23 O ATOM 292 CB VAL A 23 -0.404 10.233 -9.194 1.00 34.35 C ATOM 293 CG1 VAL A 23 -1.096 9.201 -8.316 1.00 32.03 C ATOM 294 CG2 VAL A 23 0.068 11.418 -8.366 1.00 3.23 C ATOM 0 H VAL A 23 2.606 10.493 -9.447 1.00 64.12 H new ATOM 0 HA VAL A 23 0.582 8.532 -10.083 1.00 63.22 H new ATOM 0 HB VAL A 23 -1.126 10.595 -9.926 1.00 34.35 H new ATOM 0 HG11 VAL A 23 -1.929 9.669 -7.791 1.00 32.03 H new ATOM 0 HG12 VAL A 23 -1.470 8.387 -8.937 1.00 32.03 H new ATOM 0 HG13 VAL A 23 -0.386 8.806 -7.590 1.00 32.03 H new ATOM 0 HG21 VAL A 23 -0.781 11.856 -7.841 1.00 3.23 H new ATOM 0 HG22 VAL A 23 0.810 11.083 -7.641 1.00 3.23 H new ATOM 0 HG23 VAL A 23 0.514 12.166 -9.022 1.00 3.23 H new ATOM 304 N LEU A 24 0.574 9.523 -12.361 1.00 60.24 N ATOM 305 CA LEU A 24 0.658 10.042 -13.722 1.00 71.33 C ATOM 306 C LEU A 24 -0.716 10.472 -14.227 1.00 2.14 C ATOM 307 O LEU A 24 -1.738 9.917 -13.824 1.00 54.40 O ATOM 308 CB LEU A 24 1.249 8.984 -14.657 1.00 14.52 C ATOM 309 CG LEU A 24 2.012 9.514 -15.872 1.00 34.53 C ATOM 310 CD1 LEU A 24 3.254 8.675 -16.129 1.00 31.34 C ATOM 311 CD2 LEU A 24 1.113 9.530 -17.100 1.00 24.30 C ATOM 0 H LEU A 24 0.237 8.563 -12.296 1.00 60.24 H new ATOM 0 HA LEU A 24 1.311 10.915 -13.712 1.00 71.33 H new ATOM 0 HB2 LEU A 24 1.922 8.351 -14.078 1.00 14.52 H new ATOM 0 HB3 LEU A 24 0.438 8.347 -15.011 1.00 14.52 H new ATOM 0 HG LEU A 24 2.326 10.537 -15.663 1.00 34.53 H new ATOM 0 HD11 LEU A 24 3.784 9.067 -16.997 1.00 31.34 H new ATOM 0 HD12 LEU A 24 3.907 8.714 -15.257 1.00 31.34 H new ATOM 0 HD13 LEU A 24 2.962 7.642 -16.318 1.00 31.34 H new ATOM 0 HD21 LEU A 24 1.672 9.910 -17.955 1.00 24.30 H new ATOM 0 HD22 LEU A 24 0.769 8.518 -17.312 1.00 24.30 H new ATOM 0 HD23 LEU A 24 0.254 10.174 -16.913 1.00 24.30 H new ATOM 323 N VAL A 25 -0.732 11.463 -15.112 1.00 44.50 N ATOM 324 CA VAL A 25 -1.979 11.966 -15.674 1.00 52.45 C ATOM 325 C VAL A 25 -1.999 11.813 -17.191 1.00 53.42 C ATOM 326 O VAL A 25 -1.045 12.184 -17.875 1.00 54.15 O ATOM 327 CB VAL A 25 -2.200 13.448 -15.316 1.00 5.01 C ATOM 328 CG1 VAL A 25 -3.444 13.985 -16.006 1.00 41.33 C ATOM 329 CG2 VAL A 25 -2.299 13.622 -13.808 1.00 34.30 C ATOM 0 H VAL A 25 0.105 11.934 -15.455 1.00 44.50 H new ATOM 0 HA VAL A 25 -2.783 11.372 -15.240 1.00 52.45 H new ATOM 0 HB VAL A 25 -1.343 14.021 -15.670 1.00 5.01 H new ATOM 0 HG11 VAL A 25 -3.583 15.033 -15.741 1.00 41.33 H new ATOM 0 HG12 VAL A 25 -3.328 13.896 -17.086 1.00 41.33 H new ATOM 0 HG13 VAL A 25 -4.314 13.411 -15.686 1.00 41.33 H new ATOM 0 HG21 VAL A 25 -2.455 14.675 -13.573 1.00 34.30 H new ATOM 0 HG22 VAL A 25 -3.137 13.037 -13.429 1.00 34.30 H new ATOM 0 HG23 VAL A 25 -1.376 13.279 -13.341 1.00 34.30 H new ATOM 339 N ASP A 26 -3.092 11.266 -17.710 1.00 75.44 N ATOM 340 CA ASP A 26 -3.238 11.065 -19.147 1.00 74.34 C ATOM 341 C ASP A 26 -4.685 11.279 -19.582 1.00 21.10 C ATOM 342 O ASP A 26 -5.574 10.509 -19.218 1.00 61.14 O ATOM 343 CB ASP A 26 -2.779 9.659 -19.537 1.00 22.24 C ATOM 344 CG ASP A 26 -1.659 9.678 -20.559 1.00 32.13 C ATOM 345 OD1 ASP A 26 -1.626 10.613 -21.386 1.00 10.55 O ATOM 346 OD2 ASP A 26 -0.816 8.758 -20.531 1.00 63.32 O ATOM 0 H ASP A 26 -3.890 10.954 -17.157 1.00 75.44 H new ATOM 0 HA ASP A 26 -2.612 11.798 -19.656 1.00 74.34 H new ATOM 0 HB2 ASP A 26 -2.444 9.129 -18.645 1.00 22.24 H new ATOM 0 HB3 ASP A 26 -3.625 9.102 -19.940 1.00 22.24 H new ATOM 351 N VAL A 27 -4.914 12.331 -20.361 1.00 43.15 N ATOM 352 CA VAL A 27 -6.252 12.647 -20.846 1.00 11.12 C ATOM 353 C VAL A 27 -6.488 12.059 -22.232 1.00 71.52 C ATOM 354 O VAL A 27 -5.712 12.294 -23.158 1.00 41.25 O ATOM 355 CB VAL A 27 -6.485 14.169 -20.900 1.00 23.23 C ATOM 356 CG1 VAL A 27 -7.972 14.484 -20.842 1.00 4.21 C ATOM 357 CG2 VAL A 27 -5.740 14.862 -19.769 1.00 21.44 C ATOM 0 H VAL A 27 -4.190 12.979 -20.670 1.00 43.15 H new ATOM 0 HA VAL A 27 -6.956 12.204 -20.142 1.00 11.12 H new ATOM 0 HB VAL A 27 -6.095 14.546 -21.846 1.00 23.23 H new ATOM 0 HG11 VAL A 27 -8.117 15.564 -20.881 1.00 4.21 H new ATOM 0 HG12 VAL A 27 -8.476 14.019 -21.690 1.00 4.21 H new ATOM 0 HG13 VAL A 27 -8.390 14.095 -19.914 1.00 4.21 H new ATOM 0 HG21 VAL A 27 -5.916 15.936 -19.822 1.00 21.44 H new ATOM 0 HG22 VAL A 27 -6.098 14.483 -18.812 1.00 21.44 H new ATOM 0 HG23 VAL A 27 -4.672 14.664 -19.862 1.00 21.44 H new ATOM 367 N TYR A 28 -7.564 11.292 -22.368 1.00 14.12 N ATOM 368 CA TYR A 28 -7.902 10.667 -23.641 1.00 53.53 C ATOM 369 C TYR A 28 -9.267 11.139 -24.135 1.00 3.55 C ATOM 370 O TYR A 28 -10.093 11.610 -23.353 1.00 42.13 O ATOM 371 CB TYR A 28 -7.896 9.144 -23.504 1.00 15.15 C ATOM 372 CG TYR A 28 -6.511 8.540 -23.520 1.00 65.12 C ATOM 373 CD1 TYR A 28 -5.543 8.946 -22.609 1.00 14.12 C ATOM 374 CD2 TYR A 28 -6.168 7.564 -24.448 1.00 24.14 C ATOM 375 CE1 TYR A 28 -4.276 8.398 -22.621 1.00 24.44 C ATOM 376 CE2 TYR A 28 -4.903 7.009 -24.466 1.00 22.22 C ATOM 377 CZ TYR A 28 -3.960 7.429 -23.551 1.00 33.04 C ATOM 378 OH TYR A 28 -2.699 6.879 -23.566 1.00 42.54 O ATOM 0 H TYR A 28 -8.217 11.088 -21.612 1.00 14.12 H new ATOM 0 HA TYR A 28 -7.149 10.962 -24.372 1.00 53.53 H new ATOM 0 HB2 TYR A 28 -8.392 8.869 -22.573 1.00 15.15 H new ATOM 0 HB3 TYR A 28 -8.481 8.712 -24.316 1.00 15.15 H new ATOM 0 HD1 TYR A 28 -5.786 9.704 -21.879 1.00 14.12 H new ATOM 0 HD2 TYR A 28 -6.903 7.234 -25.167 1.00 24.14 H new ATOM 0 HE1 TYR A 28 -3.536 8.726 -21.906 1.00 24.44 H new ATOM 0 HE2 TYR A 28 -4.654 6.250 -25.193 1.00 22.22 H new ATOM 0 HH TYR A 28 -2.642 6.211 -24.281 1.00 42.54 H new ATOM 388 N ALA A 29 -9.495 11.009 -25.437 1.00 52.02 N ATOM 389 CA ALA A 29 -10.759 11.419 -26.036 1.00 13.01 C ATOM 390 C ALA A 29 -11.362 10.294 -26.870 1.00 33.30 C ATOM 391 O ALA A 29 -10.729 9.260 -27.086 1.00 1.32 O ATOM 392 CB ALA A 29 -10.560 12.663 -26.889 1.00 73.24 C ATOM 0 H ALA A 29 -8.821 10.623 -26.098 1.00 52.02 H new ATOM 0 HA ALA A 29 -11.456 11.652 -25.231 1.00 13.01 H new ATOM 0 HB1 ALA A 29 -11.512 12.958 -27.330 1.00 73.24 H new ATOM 0 HB2 ALA A 29 -10.182 13.474 -26.267 1.00 73.24 H new ATOM 0 HB3 ALA A 29 -9.843 12.450 -27.682 1.00 73.24 H new ATOM 398 N ASP A 30 -12.589 10.501 -27.336 1.00 30.15 N ATOM 399 CA ASP A 30 -13.278 9.503 -28.147 1.00 4.54 C ATOM 400 C ASP A 30 -12.452 9.139 -29.377 1.00 10.24 C ATOM 401 O ASP A 30 -12.496 8.004 -29.852 1.00 1.44 O ATOM 402 CB ASP A 30 -14.651 10.023 -28.574 1.00 71.24 C ATOM 403 CG ASP A 30 -15.786 9.194 -28.006 1.00 72.24 C ATOM 404 OD1 ASP A 30 -16.790 8.992 -28.722 1.00 1.11 O ATOM 405 OD2 ASP A 30 -15.671 8.746 -26.847 1.00 25.14 O ATOM 0 H ASP A 30 -13.127 11.351 -27.166 1.00 30.15 H new ATOM 0 HA ASP A 30 -13.410 8.606 -27.542 1.00 4.54 H new ATOM 0 HB2 ASP A 30 -14.762 11.057 -28.248 1.00 71.24 H new ATOM 0 HB3 ASP A 30 -14.714 10.023 -29.662 1.00 71.24 H new ATOM 410 N TRP A 31 -11.702 10.109 -29.887 1.00 62.32 N ATOM 411 CA TRP A 31 -10.867 9.890 -31.063 1.00 40.01 C ATOM 412 C TRP A 31 -10.010 11.116 -31.358 1.00 53.31 C ATOM 413 O TRP A 31 -10.043 11.656 -32.465 1.00 22.22 O ATOM 414 CB TRP A 31 -11.737 9.556 -32.276 1.00 45.23 C ATOM 415 CG TRP A 31 -10.981 8.883 -33.382 1.00 23.24 C ATOM 416 CD1 TRP A 31 -10.535 7.592 -33.402 1.00 2.13 C ATOM 417 CD2 TRP A 31 -10.581 9.467 -34.626 1.00 70.01 C ATOM 418 NE1 TRP A 31 -9.882 7.339 -34.584 1.00 21.31 N ATOM 419 CE2 TRP A 31 -9.897 8.472 -35.353 1.00 13.44 C ATOM 420 CE3 TRP A 31 -10.736 10.732 -35.198 1.00 42.35 C ATOM 421 CZ2 TRP A 31 -9.370 8.707 -36.620 1.00 22.34 C ATOM 422 CZ3 TRP A 31 -10.211 10.963 -36.456 1.00 14.41 C ATOM 423 CH2 TRP A 31 -9.536 9.955 -37.156 1.00 21.33 C ATOM 0 H TRP A 31 -11.655 11.054 -29.506 1.00 62.32 H new ATOM 0 HA TRP A 31 -10.205 9.049 -30.857 1.00 40.01 H new ATOM 0 HB2 TRP A 31 -12.556 8.910 -31.960 1.00 45.23 H new ATOM 0 HB3 TRP A 31 -12.184 10.474 -32.657 1.00 45.23 H new ATOM 0 HD1 TRP A 31 -10.675 6.876 -32.606 1.00 2.13 H new ATOM 0 HE1 TRP A 31 -9.455 6.451 -34.846 1.00 21.31 H new ATOM 0 HE3 TRP A 31 -11.257 11.515 -34.667 1.00 42.35 H new ATOM 0 HZ2 TRP A 31 -8.848 7.931 -37.161 1.00 22.34 H new ATOM 0 HZ3 TRP A 31 -10.323 11.938 -36.907 1.00 14.41 H new ATOM 0 HH2 TRP A 31 -9.139 10.167 -38.138 1.00 21.33 H new ATOM 434 N CYS A 32 -9.245 11.551 -30.363 1.00 52.22 N ATOM 435 CA CYS A 32 -8.380 12.715 -30.517 1.00 3.21 C ATOM 436 C CYS A 32 -7.028 12.315 -31.100 1.00 75.21 C ATOM 437 O CYS A 32 -6.589 11.171 -30.984 1.00 60.40 O ATOM 438 CB CYS A 32 -8.181 13.411 -29.169 1.00 72.43 C ATOM 439 SG CYS A 32 -7.392 12.376 -27.914 1.00 0.11 S ATOM 0 H CYS A 32 -9.206 11.115 -29.442 1.00 52.22 H new ATOM 0 HA CYS A 32 -8.863 13.406 -31.207 1.00 3.21 H new ATOM 0 HB2 CYS A 32 -7.576 14.305 -29.320 1.00 72.43 H new ATOM 0 HB3 CYS A 32 -9.151 13.741 -28.796 1.00 72.43 H new ATOM 0 HG CYS A 32 -7.324 11.150 -28.342 1.00 0.11 H new ATOM 445 N PRO A 33 -6.353 13.278 -31.745 1.00 30.04 N ATOM 446 CA PRO A 33 -5.042 13.049 -32.360 1.00 54.41 C ATOM 447 C PRO A 33 -3.944 12.837 -31.324 1.00 33.13 C ATOM 448 O PRO A 33 -2.808 12.509 -31.666 1.00 74.34 O ATOM 449 CB PRO A 33 -4.791 14.337 -33.149 1.00 15.23 C ATOM 450 CG PRO A 33 -5.600 15.374 -32.448 1.00 41.00 C ATOM 451 CD PRO A 33 -6.817 14.664 -31.921 1.00 44.44 C ATOM 0 HA PRO A 33 -5.031 12.148 -32.973 1.00 54.41 H new ATOM 0 HB2 PRO A 33 -3.733 14.598 -33.155 1.00 15.23 H new ATOM 0 HB3 PRO A 33 -5.099 14.231 -34.189 1.00 15.23 H new ATOM 0 HG2 PRO A 33 -5.032 15.829 -31.637 1.00 41.00 H new ATOM 0 HG3 PRO A 33 -5.881 16.176 -33.130 1.00 41.00 H new ATOM 0 HD2 PRO A 33 -7.159 15.096 -30.980 1.00 44.44 H new ATOM 0 HD3 PRO A 33 -7.651 14.723 -32.620 1.00 44.44 H new ATOM 459 N VAL A 34 -4.290 13.026 -30.054 1.00 74.42 N ATOM 460 CA VAL A 34 -3.334 12.853 -28.967 1.00 72.13 C ATOM 461 C VAL A 34 -3.126 11.377 -28.648 1.00 21.20 C ATOM 462 O VAL A 34 -2.009 10.864 -28.733 1.00 51.41 O ATOM 463 CB VAL A 34 -3.796 13.582 -27.692 1.00 12.51 C ATOM 464 CG1 VAL A 34 -2.673 13.630 -26.667 1.00 72.11 C ATOM 465 CG2 VAL A 34 -4.283 14.984 -28.027 1.00 43.32 C ATOM 0 H VAL A 34 -5.226 13.299 -29.753 1.00 74.42 H new ATOM 0 HA VAL A 34 -2.392 13.286 -29.303 1.00 72.13 H new ATOM 0 HB VAL A 34 -4.628 13.027 -27.258 1.00 12.51 H new ATOM 0 HG11 VAL A 34 -3.018 14.149 -25.773 1.00 72.11 H new ATOM 0 HG12 VAL A 34 -2.376 12.615 -26.405 1.00 72.11 H new ATOM 0 HG13 VAL A 34 -1.819 14.161 -27.088 1.00 72.11 H new ATOM 0 HG21 VAL A 34 -4.606 15.485 -27.114 1.00 43.32 H new ATOM 0 HG22 VAL A 34 -3.472 15.551 -28.485 1.00 43.32 H new ATOM 0 HG23 VAL A 34 -5.120 14.922 -28.722 1.00 43.32 H new ATOM 475 N CYS A 35 -4.207 10.698 -28.281 1.00 13.51 N ATOM 476 CA CYS A 35 -4.144 9.280 -27.948 1.00 64.32 C ATOM 477 C CYS A 35 -3.902 8.439 -29.197 1.00 61.44 C ATOM 478 O CYS A 35 -3.384 7.324 -29.119 1.00 2.54 O ATOM 479 CB CYS A 35 -5.437 8.837 -27.263 1.00 21.33 C ATOM 480 SG CYS A 35 -6.886 8.844 -28.344 1.00 43.44 S ATOM 0 H CYS A 35 -5.138 11.107 -28.207 1.00 13.51 H new ATOM 0 HA CYS A 35 -3.309 9.130 -27.263 1.00 64.32 H new ATOM 0 HB2 CYS A 35 -5.299 7.832 -26.865 1.00 21.33 H new ATOM 0 HB3 CYS A 35 -5.628 9.492 -26.413 1.00 21.33 H new ATOM 0 HG CYS A 35 -7.929 8.453 -27.674 1.00 43.44 H new ATOM 486 N LYS A 36 -4.282 8.979 -30.350 1.00 71.54 N ATOM 487 CA LYS A 36 -4.108 8.279 -31.618 1.00 22.13 C ATOM 488 C LYS A 36 -2.662 8.371 -32.096 1.00 32.14 C ATOM 489 O LYS A 36 -2.135 7.432 -32.692 1.00 61.22 O ATOM 490 CB LYS A 36 -5.045 8.861 -32.678 1.00 42.23 C ATOM 491 CG LYS A 36 -4.810 8.301 -34.071 1.00 10.44 C ATOM 492 CD LYS A 36 -3.899 9.202 -34.888 1.00 1.15 C ATOM 493 CE LYS A 36 -4.274 9.185 -36.361 1.00 61.05 C ATOM 494 NZ LYS A 36 -3.313 8.383 -37.169 1.00 34.01 N ATOM 0 H LYS A 36 -4.713 9.900 -30.433 1.00 71.54 H new ATOM 0 HA LYS A 36 -4.354 7.229 -31.462 1.00 22.13 H new ATOM 0 HB2 LYS A 36 -6.077 8.665 -32.386 1.00 42.23 H new ATOM 0 HB3 LYS A 36 -4.922 9.944 -32.705 1.00 42.23 H new ATOM 0 HG2 LYS A 36 -4.368 7.308 -33.995 1.00 10.44 H new ATOM 0 HG3 LYS A 36 -5.765 8.186 -34.584 1.00 10.44 H new ATOM 0 HD2 LYS A 36 -3.958 10.222 -34.508 1.00 1.15 H new ATOM 0 HD3 LYS A 36 -2.865 8.878 -34.771 1.00 1.15 H new ATOM 0 HE2 LYS A 36 -5.277 8.774 -36.476 1.00 61.05 H new ATOM 0 HE3 LYS A 36 -4.303 10.207 -36.740 1.00 61.05 H new ATOM 0 HZ1 LYS A 36 -3.603 8.396 -38.168 1.00 34.01 H new ATOM 0 HZ2 LYS A 36 -2.360 8.790 -37.080 1.00 34.01 H new ATOM 0 HZ3 LYS A 36 -3.304 7.402 -36.824 1.00 34.01 H new ATOM 508 N ARG A 37 -2.027 9.507 -31.828 1.00 65.05 N ATOM 509 CA ARG A 37 -0.642 9.721 -32.231 1.00 63.43 C ATOM 510 C ARG A 37 0.320 9.253 -31.142 1.00 55.23 C ATOM 511 O ARG A 37 1.483 8.957 -31.414 1.00 74.00 O ATOM 512 CB ARG A 37 -0.400 11.200 -32.539 1.00 72.52 C ATOM 513 CG ARG A 37 0.993 11.491 -33.071 1.00 44.14 C ATOM 514 CD ARG A 37 1.906 12.028 -31.980 1.00 34.05 C ATOM 515 NE ARG A 37 3.317 11.881 -32.324 1.00 61.31 N ATOM 516 CZ ARG A 37 3.964 12.704 -33.141 1.00 51.33 C ATOM 517 NH1 ARG A 37 3.329 13.729 -33.694 1.00 61.55 N ATOM 518 NH2 ARG A 37 5.249 12.505 -33.406 1.00 73.43 N ATOM 0 H ARG A 37 -2.449 10.293 -31.334 1.00 65.05 H new ATOM 0 HA ARG A 37 -0.458 9.135 -33.131 1.00 63.43 H new ATOM 0 HB2 ARG A 37 -1.136 11.535 -33.270 1.00 72.52 H new ATOM 0 HB3 ARG A 37 -0.562 11.783 -31.632 1.00 72.52 H new ATOM 0 HG2 ARG A 37 1.421 10.580 -33.489 1.00 44.14 H new ATOM 0 HG3 ARG A 37 0.929 12.216 -33.883 1.00 44.14 H new ATOM 0 HD2 ARG A 37 1.683 13.081 -31.807 1.00 34.05 H new ATOM 0 HD3 ARG A 37 1.704 11.502 -31.047 1.00 34.05 H new ATOM 0 HE ARG A 37 3.834 11.103 -31.914 1.00 61.31 H new ATOM 0 HH11 ARG A 37 2.342 13.886 -33.492 1.00 61.55 H new ATOM 0 HH12 ARG A 37 3.828 14.360 -34.321 1.00 61.55 H new ATOM 0 HH21 ARG A 37 5.741 11.719 -32.982 1.00 73.43 H new ATOM 0 HH22 ARG A 37 5.744 13.138 -34.034 1.00 73.43 H new ATOM 532 N GLN A 38 -0.175 9.191 -29.910 1.00 74.54 N ATOM 533 CA GLN A 38 0.640 8.760 -28.781 1.00 4.51 C ATOM 534 C GLN A 38 0.710 7.239 -28.708 1.00 35.34 C ATOM 535 O GLN A 38 1.617 6.679 -28.094 1.00 30.34 O ATOM 536 CB GLN A 38 0.076 9.321 -27.474 1.00 71.33 C ATOM 537 CG GLN A 38 0.793 8.812 -26.234 1.00 41.22 C ATOM 538 CD GLN A 38 1.076 9.913 -25.231 1.00 11.00 C ATOM 539 OE1 GLN A 38 0.551 9.904 -24.117 1.00 73.23 O ATOM 540 NE2 GLN A 38 1.910 10.870 -25.621 1.00 70.20 N ATOM 0 H GLN A 38 -1.136 9.434 -29.669 1.00 74.54 H new ATOM 0 HA GLN A 38 1.650 9.144 -28.927 1.00 4.51 H new ATOM 0 HB2 GLN A 38 0.138 10.409 -27.499 1.00 71.33 H new ATOM 0 HB3 GLN A 38 -0.981 9.064 -27.404 1.00 71.33 H new ATOM 0 HG2 GLN A 38 0.187 8.040 -25.759 1.00 41.22 H new ATOM 0 HG3 GLN A 38 1.732 8.344 -26.528 1.00 41.22 H new ATOM 0 HE21 GLN A 38 2.323 10.838 -26.553 1.00 70.20 H new ATOM 0 HE22 GLN A 38 2.138 11.637 -24.988 1.00 70.20 H new ATOM 549 N GLU A 39 -0.256 6.576 -29.338 1.00 4.24 N ATOM 550 CA GLU A 39 -0.304 5.119 -29.342 1.00 23.21 C ATOM 551 C GLU A 39 0.995 4.533 -29.888 1.00 42.22 C ATOM 552 O GLU A 39 1.343 3.389 -29.597 1.00 63.32 O ATOM 553 CB GLU A 39 -1.488 4.628 -30.177 1.00 32.12 C ATOM 554 CG GLU A 39 -1.275 4.764 -31.675 1.00 64.21 C ATOM 555 CD GLU A 39 -2.567 4.656 -32.461 1.00 12.43 C ATOM 556 OE1 GLU A 39 -2.498 4.423 -33.686 1.00 14.32 O ATOM 557 OE2 GLU A 39 -3.647 4.806 -31.851 1.00 63.43 O ATOM 0 H GLU A 39 -1.015 7.025 -29.851 1.00 4.24 H new ATOM 0 HA GLU A 39 -0.430 4.783 -28.313 1.00 23.21 H new ATOM 0 HB2 GLU A 39 -1.680 3.582 -29.939 1.00 32.12 H new ATOM 0 HB3 GLU A 39 -2.379 5.188 -29.893 1.00 32.12 H new ATOM 0 HG2 GLU A 39 -0.806 5.725 -31.885 1.00 64.21 H new ATOM 0 HG3 GLU A 39 -0.584 3.991 -32.011 1.00 64.21 H new ATOM 564 N ARG A 40 1.707 5.326 -30.682 1.00 42.41 N ATOM 565 CA ARG A 40 2.966 4.887 -31.271 1.00 24.10 C ATOM 566 C ARG A 40 4.110 5.017 -30.269 1.00 32.31 C ATOM 567 O ARG A 40 5.042 4.214 -30.270 1.00 30.53 O ATOM 568 CB ARG A 40 3.279 5.703 -32.526 1.00 42.24 C ATOM 569 CG ARG A 40 4.709 5.544 -33.015 1.00 45.35 C ATOM 570 CD ARG A 40 5.590 6.692 -32.546 1.00 14.03 C ATOM 571 NE ARG A 40 6.713 6.926 -33.450 1.00 15.14 N ATOM 572 CZ ARG A 40 7.796 6.158 -33.490 1.00 53.21 C ATOM 573 NH1 ARG A 40 7.901 5.112 -32.682 1.00 45.23 N ATOM 574 NH2 ARG A 40 8.776 6.436 -34.340 1.00 72.25 N ATOM 0 H ARG A 40 1.433 6.276 -30.932 1.00 42.41 H new ATOM 0 HA ARG A 40 2.863 3.837 -31.545 1.00 24.10 H new ATOM 0 HB2 ARG A 40 2.597 5.405 -33.322 1.00 42.24 H new ATOM 0 HB3 ARG A 40 3.089 6.757 -32.321 1.00 42.24 H new ATOM 0 HG2 ARG A 40 5.116 4.600 -32.652 1.00 45.35 H new ATOM 0 HG3 ARG A 40 4.719 5.498 -34.104 1.00 45.35 H new ATOM 0 HD2 ARG A 40 4.992 7.600 -32.469 1.00 14.03 H new ATOM 0 HD3 ARG A 40 5.968 6.474 -31.547 1.00 14.03 H new ATOM 0 HE ARG A 40 6.663 7.723 -34.085 1.00 15.14 H new ATOM 0 HH11 ARG A 40 7.149 4.895 -32.028 1.00 45.23 H new ATOM 0 HH12 ARG A 40 8.734 4.524 -32.715 1.00 45.23 H new ATOM 0 HH21 ARG A 40 8.698 7.240 -34.963 1.00 72.25 H new ATOM 0 HH22 ARG A 40 9.607 5.846 -34.370 1.00 72.25 H new ATOM 588 N GLU A 41 4.030 6.034 -29.416 1.00 63.34 N ATOM 589 CA GLU A 41 5.059 6.269 -28.411 1.00 25.45 C ATOM 590 C GLU A 41 4.831 5.391 -27.183 1.00 61.02 C ATOM 591 O GLU A 41 5.632 5.393 -26.247 1.00 73.50 O ATOM 592 CB GLU A 41 5.077 7.743 -28.001 1.00 35.21 C ATOM 593 CG GLU A 41 5.748 8.650 -29.018 1.00 62.54 C ATOM 594 CD GLU A 41 7.244 8.764 -28.800 1.00 64.00 C ATOM 595 OE1 GLU A 41 7.651 9.207 -27.706 1.00 3.44 O ATOM 596 OE2 GLU A 41 8.008 8.411 -29.723 1.00 30.34 O ATOM 0 H GLU A 41 3.264 6.707 -29.401 1.00 63.34 H new ATOM 0 HA GLU A 41 6.023 6.010 -28.848 1.00 25.45 H new ATOM 0 HB2 GLU A 41 4.052 8.081 -27.846 1.00 35.21 H new ATOM 0 HB3 GLU A 41 5.592 7.839 -27.045 1.00 35.21 H new ATOM 0 HG2 GLU A 41 5.559 8.268 -30.021 1.00 62.54 H new ATOM 0 HG3 GLU A 41 5.300 9.642 -28.966 1.00 62.54 H new ATOM 603 N LEU A 42 3.734 4.643 -27.194 1.00 75.24 N ATOM 604 CA LEU A 42 3.398 3.760 -26.083 1.00 20.14 C ATOM 605 C LEU A 42 4.509 2.744 -25.840 1.00 22.51 C ATOM 606 O LEU A 42 4.575 2.119 -24.780 1.00 53.32 O ATOM 607 CB LEU A 42 2.080 3.035 -26.361 1.00 1.10 C ATOM 608 CG LEU A 42 2.197 1.576 -26.802 1.00 31.42 C ATOM 609 CD1 LEU A 42 0.822 0.930 -26.879 1.00 62.24 C ATOM 610 CD2 LEU A 42 2.910 1.479 -28.143 1.00 21.14 C ATOM 0 H LEU A 42 3.061 4.630 -27.961 1.00 75.24 H new ATOM 0 HA LEU A 42 3.287 4.371 -25.187 1.00 20.14 H new ATOM 0 HB2 LEU A 42 1.470 3.073 -25.458 1.00 1.10 H new ATOM 0 HB3 LEU A 42 1.542 3.585 -27.133 1.00 1.10 H new ATOM 0 HG LEU A 42 2.787 1.039 -26.060 1.00 31.42 H new ATOM 0 HD11 LEU A 42 0.925 -0.108 -27.194 1.00 62.24 H new ATOM 0 HD12 LEU A 42 0.348 0.966 -25.898 1.00 62.24 H new ATOM 0 HD13 LEU A 42 0.207 1.469 -27.600 1.00 62.24 H new ATOM 0 HD21 LEU A 42 2.984 0.433 -28.441 1.00 21.14 H new ATOM 0 HD22 LEU A 42 2.347 2.032 -28.895 1.00 21.14 H new ATOM 0 HD23 LEU A 42 3.910 1.903 -28.055 1.00 21.14 H new ATOM 622 N THR A 43 5.384 2.583 -26.828 1.00 52.03 N ATOM 623 CA THR A 43 6.493 1.644 -26.722 1.00 60.32 C ATOM 624 C THR A 43 7.655 2.251 -25.945 1.00 22.12 C ATOM 625 O THR A 43 8.036 1.773 -24.876 1.00 71.41 O ATOM 626 CB THR A 43 6.993 1.206 -28.112 1.00 31.42 C ATOM 627 OG1 THR A 43 6.308 1.940 -29.133 1.00 30.33 O ATOM 628 CG2 THR A 43 6.775 -0.286 -28.320 1.00 5.52 C ATOM 0 H THR A 43 5.345 3.092 -27.711 1.00 52.03 H new ATOM 0 HA THR A 43 6.118 0.771 -26.187 1.00 60.32 H new ATOM 0 HB THR A 43 8.062 1.413 -28.171 1.00 31.42 H new ATOM 0 HG1 THR A 43 6.633 1.657 -30.013 1.00 30.33 H new ATOM 0 HG21 THR A 43 7.136 -0.572 -29.308 1.00 5.52 H new ATOM 0 HG22 THR A 43 7.321 -0.843 -27.559 1.00 5.52 H new ATOM 0 HG23 THR A 43 5.712 -0.513 -28.242 1.00 5.52 H new ATOM 636 N PRO A 44 8.234 3.331 -26.491 1.00 72.41 N ATOM 637 CA PRO A 44 9.361 4.027 -25.864 1.00 11.30 C ATOM 638 C PRO A 44 8.951 4.767 -24.595 1.00 44.42 C ATOM 639 O PRO A 44 9.776 5.011 -23.713 1.00 34.23 O ATOM 640 CB PRO A 44 9.808 5.019 -26.941 1.00 3.03 C ATOM 641 CG PRO A 44 8.593 5.252 -27.770 1.00 33.11 C ATOM 642 CD PRO A 44 7.832 3.955 -27.763 1.00 31.12 C ATOM 0 HA PRO A 44 10.144 3.336 -25.550 1.00 11.30 H new ATOM 0 HB2 PRO A 44 10.169 5.947 -26.499 1.00 3.03 H new ATOM 0 HB3 PRO A 44 10.623 4.613 -27.539 1.00 3.03 H new ATOM 0 HG2 PRO A 44 7.989 6.061 -27.359 1.00 33.11 H new ATOM 0 HG3 PRO A 44 8.863 5.541 -28.786 1.00 33.11 H new ATOM 0 HD2 PRO A 44 6.756 4.120 -27.807 1.00 31.12 H new ATOM 0 HD3 PRO A 44 8.094 3.331 -28.617 1.00 31.12 H new ATOM 650 N LEU A 45 7.674 5.123 -24.509 1.00 63.33 N ATOM 651 CA LEU A 45 7.155 5.835 -23.347 1.00 51.20 C ATOM 652 C LEU A 45 6.953 4.885 -22.171 1.00 71.22 C ATOM 653 O LEU A 45 6.981 5.300 -21.012 1.00 74.53 O ATOM 654 CB LEU A 45 5.833 6.523 -23.694 1.00 65.04 C ATOM 655 CG LEU A 45 5.161 7.296 -22.560 1.00 12.42 C ATOM 656 CD1 LEU A 45 4.735 8.677 -23.034 1.00 53.02 C ATOM 657 CD2 LEU A 45 3.966 6.523 -22.022 1.00 73.33 C ATOM 0 H LEU A 45 6.979 4.930 -25.230 1.00 63.33 H new ATOM 0 HA LEU A 45 7.886 6.590 -23.059 1.00 51.20 H new ATOM 0 HB2 LEU A 45 6.011 7.211 -24.520 1.00 65.04 H new ATOM 0 HB3 LEU A 45 5.136 5.766 -24.054 1.00 65.04 H new ATOM 0 HG LEU A 45 5.883 7.418 -21.752 1.00 12.42 H new ATOM 0 HD11 LEU A 45 4.258 9.213 -22.213 1.00 53.02 H new ATOM 0 HD12 LEU A 45 5.611 9.233 -23.370 1.00 53.02 H new ATOM 0 HD13 LEU A 45 4.030 8.577 -23.859 1.00 53.02 H new ATOM 0 HD21 LEU A 45 3.500 7.089 -21.215 1.00 73.33 H new ATOM 0 HD22 LEU A 45 3.242 6.369 -22.822 1.00 73.33 H new ATOM 0 HD23 LEU A 45 4.299 5.557 -21.643 1.00 73.33 H new ATOM 669 N PHE A 46 6.752 3.607 -22.477 1.00 54.44 N ATOM 670 CA PHE A 46 6.546 2.597 -21.446 1.00 3.20 C ATOM 671 C PHE A 46 7.728 1.634 -21.385 1.00 4.21 C ATOM 672 O PHE A 46 7.756 0.720 -20.561 1.00 41.15 O ATOM 673 CB PHE A 46 5.255 1.821 -21.712 1.00 71.03 C ATOM 674 CG PHE A 46 5.483 0.376 -22.053 1.00 3.12 C ATOM 675 CD1 PHE A 46 5.205 -0.619 -21.130 1.00 23.30 C ATOM 676 CD2 PHE A 46 5.977 0.013 -23.296 1.00 13.22 C ATOM 677 CE1 PHE A 46 5.414 -1.950 -21.440 1.00 40.02 C ATOM 678 CE2 PHE A 46 6.187 -1.316 -23.612 1.00 10.32 C ATOM 679 CZ PHE A 46 5.907 -2.298 -22.683 1.00 35.44 C ATOM 0 H PHE A 46 6.727 3.247 -23.431 1.00 54.44 H new ATOM 0 HA PHE A 46 6.464 3.106 -20.486 1.00 3.20 H new ATOM 0 HB2 PHE A 46 4.616 1.882 -20.831 1.00 71.03 H new ATOM 0 HB3 PHE A 46 4.716 2.298 -22.530 1.00 71.03 H new ATOM 0 HD1 PHE A 46 4.820 -0.352 -20.157 1.00 23.30 H new ATOM 0 HD2 PHE A 46 6.200 0.777 -24.026 1.00 13.22 H new ATOM 0 HE1 PHE A 46 5.192 -2.716 -20.712 1.00 40.02 H new ATOM 0 HE2 PHE A 46 6.570 -1.586 -24.585 1.00 10.32 H new ATOM 0 HZ PHE A 46 6.073 -3.337 -22.927 1.00 35.44 H new ATOM 689 N ALA A 47 8.703 1.847 -22.263 1.00 72.53 N ATOM 690 CA ALA A 47 9.888 0.999 -22.309 1.00 40.31 C ATOM 691 C ALA A 47 10.657 1.059 -20.994 1.00 0.43 C ATOM 692 O ALA A 47 11.498 0.205 -20.717 1.00 30.30 O ATOM 693 CB ALA A 47 10.786 1.410 -23.467 1.00 31.12 C ATOM 0 H ALA A 47 8.696 2.599 -22.952 1.00 72.53 H new ATOM 0 HA ALA A 47 9.563 -0.030 -22.463 1.00 40.31 H new ATOM 0 HB1 ALA A 47 11.667 0.769 -23.490 1.00 31.12 H new ATOM 0 HB2 ALA A 47 10.240 1.309 -24.405 1.00 31.12 H new ATOM 0 HB3 ALA A 47 11.095 2.447 -23.337 1.00 31.12 H new ATOM 699 N GLN A 48 10.363 2.075 -20.188 1.00 22.43 N ATOM 700 CA GLN A 48 11.029 2.246 -18.902 1.00 30.12 C ATOM 701 C GLN A 48 10.102 1.861 -17.753 1.00 63.44 C ATOM 702 O GLN A 48 8.886 2.038 -17.819 1.00 12.22 O ATOM 703 CB GLN A 48 11.495 3.693 -18.734 1.00 14.24 C ATOM 704 CG GLN A 48 12.156 4.268 -19.976 1.00 33.00 C ATOM 705 CD GLN A 48 13.416 3.521 -20.365 1.00 61.20 C ATOM 706 OE1 GLN A 48 13.521 2.990 -21.471 1.00 53.43 O ATOM 707 NE2 GLN A 48 14.382 3.475 -19.455 1.00 42.22 N ATOM 0 H GLN A 48 9.669 2.791 -20.403 1.00 22.43 H new ATOM 0 HA GLN A 48 11.897 1.587 -18.880 1.00 30.12 H new ATOM 0 HB2 GLN A 48 10.639 4.313 -18.468 1.00 14.24 H new ATOM 0 HB3 GLN A 48 12.197 3.745 -17.902 1.00 14.24 H new ATOM 0 HG2 GLN A 48 11.450 4.238 -20.806 1.00 33.00 H new ATOM 0 HG3 GLN A 48 12.399 5.316 -19.802 1.00 33.00 H new ATOM 0 HE21 GLN A 48 14.253 3.929 -18.551 1.00 42.22 H new ATOM 0 HE22 GLN A 48 15.253 2.986 -19.660 1.00 42.22 H new ATOM 716 N PRO A 49 10.689 1.320 -16.675 1.00 72.11 N ATOM 717 CA PRO A 49 9.934 0.898 -15.491 1.00 50.33 C ATOM 718 C PRO A 49 9.369 2.081 -14.712 1.00 42.23 C ATOM 719 O PRO A 49 9.794 2.357 -13.591 1.00 14.43 O ATOM 720 CB PRO A 49 10.976 0.154 -14.653 1.00 1.24 C ATOM 721 CG PRO A 49 12.283 0.732 -15.073 1.00 3.12 C ATOM 722 CD PRO A 49 12.134 1.079 -16.528 1.00 61.13 C ATOM 0 HA PRO A 49 9.067 0.292 -15.755 1.00 50.33 H new ATOM 0 HB2 PRO A 49 10.803 0.299 -13.587 1.00 1.24 H new ATOM 0 HB3 PRO A 49 10.940 -0.920 -14.838 1.00 1.24 H new ATOM 0 HG2 PRO A 49 12.526 1.616 -14.484 1.00 3.12 H new ATOM 0 HG3 PRO A 49 13.092 0.017 -14.923 1.00 3.12 H new ATOM 0 HD2 PRO A 49 12.717 1.961 -16.793 1.00 61.13 H new ATOM 0 HD3 PRO A 49 12.474 0.267 -17.171 1.00 61.13 H new ATOM 730 N ALA A 50 8.410 2.776 -15.314 1.00 54.32 N ATOM 731 CA ALA A 50 7.785 3.928 -14.675 1.00 41.03 C ATOM 732 C ALA A 50 6.481 3.535 -13.989 1.00 40.24 C ATOM 733 O ALA A 50 6.204 3.967 -12.871 1.00 14.20 O ATOM 734 CB ALA A 50 7.536 5.028 -15.697 1.00 20.40 C ATOM 0 H ALA A 50 8.049 2.562 -16.243 1.00 54.32 H new ATOM 0 HA ALA A 50 8.467 4.304 -13.912 1.00 41.03 H new ATOM 0 HB1 ALA A 50 7.069 5.882 -15.206 1.00 20.40 H new ATOM 0 HB2 ALA A 50 8.484 5.337 -16.138 1.00 20.40 H new ATOM 0 HB3 ALA A 50 6.876 4.654 -16.480 1.00 20.40 H new ATOM 740 N GLN A 51 5.685 2.715 -14.668 1.00 12.05 N ATOM 741 CA GLN A 51 4.409 2.266 -14.123 1.00 21.13 C ATOM 742 C GLN A 51 4.621 1.239 -13.015 1.00 44.21 C ATOM 743 O GLN A 51 3.673 0.830 -12.345 1.00 62.40 O ATOM 744 CB GLN A 51 3.540 1.667 -15.230 1.00 21.11 C ATOM 745 CG GLN A 51 2.053 1.684 -14.913 1.00 25.00 C ATOM 746 CD GLN A 51 1.305 0.537 -15.563 1.00 51.22 C ATOM 747 OE1 GLN A 51 1.447 -0.618 -15.163 1.00 33.45 O ATOM 748 NE2 GLN A 51 0.502 0.851 -16.573 1.00 13.20 N ATOM 0 H GLN A 51 5.901 2.349 -15.595 1.00 12.05 H new ATOM 0 HA GLN A 51 3.899 3.131 -13.699 1.00 21.13 H new ATOM 0 HB2 GLN A 51 3.712 2.219 -16.154 1.00 21.11 H new ATOM 0 HB3 GLN A 51 3.853 0.638 -15.410 1.00 21.11 H new ATOM 0 HG2 GLN A 51 1.915 1.637 -13.833 1.00 25.00 H new ATOM 0 HG3 GLN A 51 1.625 2.629 -15.248 1.00 25.00 H new ATOM 0 HE21 GLN A 51 0.414 1.822 -16.872 1.00 13.20 H new ATOM 0 HE22 GLN A 51 -0.027 0.121 -17.050 1.00 13.20 H new ATOM 757 N ARG A 52 5.871 0.827 -12.829 1.00 0.25 N ATOM 758 CA ARG A 52 6.207 -0.153 -11.803 1.00 62.11 C ATOM 759 C ARG A 52 6.340 0.513 -10.437 1.00 2.12 C ATOM 760 O ARG A 52 6.095 -0.111 -9.404 1.00 42.03 O ATOM 761 CB ARG A 52 7.510 -0.871 -12.161 1.00 72.02 C ATOM 762 CG ARG A 52 7.915 -1.935 -11.155 1.00 22.33 C ATOM 763 CD ARG A 52 9.397 -2.264 -11.257 1.00 55.52 C ATOM 764 NE ARG A 52 9.653 -3.346 -12.203 1.00 61.31 N ATOM 765 CZ ARG A 52 10.815 -3.985 -12.292 1.00 14.32 C ATOM 766 NH1 ARG A 52 11.821 -3.651 -11.496 1.00 11.03 N ATOM 767 NH2 ARG A 52 10.971 -4.960 -13.178 1.00 50.21 N ATOM 0 H ARG A 52 6.667 1.156 -13.375 1.00 0.25 H new ATOM 0 HA ARG A 52 5.399 -0.883 -11.755 1.00 62.11 H new ATOM 0 HB2 ARG A 52 7.403 -1.333 -13.142 1.00 72.02 H new ATOM 0 HB3 ARG A 52 8.310 -0.135 -12.241 1.00 72.02 H new ATOM 0 HG2 ARG A 52 7.687 -1.590 -10.147 1.00 22.33 H new ATOM 0 HG3 ARG A 52 7.328 -2.838 -11.323 1.00 22.33 H new ATOM 0 HD2 ARG A 52 9.945 -1.374 -11.567 1.00 55.52 H new ATOM 0 HD3 ARG A 52 9.775 -2.545 -10.274 1.00 55.52 H new ATOM 0 HE ARG A 52 8.899 -3.627 -12.830 1.00 61.31 H new ATOM 0 HH11 ARG A 52 11.704 -2.902 -10.813 1.00 11.03 H new ATOM 0 HH12 ARG A 52 12.712 -4.143 -11.566 1.00 11.03 H new ATOM 0 HH21 ARG A 52 10.199 -5.220 -13.792 1.00 50.21 H new ATOM 0 HH22 ARG A 52 11.863 -5.450 -13.246 1.00 50.21 H new ATOM 781 N ASP A 53 6.730 1.783 -10.439 1.00 51.12 N ATOM 782 CA ASP A 53 6.895 2.535 -9.200 1.00 61.54 C ATOM 783 C ASP A 53 6.082 3.825 -9.235 1.00 34.43 C ATOM 784 O ASP A 53 6.163 4.647 -8.321 1.00 42.14 O ATOM 785 CB ASP A 53 8.372 2.855 -8.966 1.00 63.50 C ATOM 786 CG ASP A 53 8.995 1.969 -7.904 1.00 40.53 C ATOM 787 OD1 ASP A 53 9.143 0.755 -8.156 1.00 31.13 O ATOM 788 OD2 ASP A 53 9.335 2.491 -6.822 1.00 44.44 O ATOM 0 H ASP A 53 6.938 2.314 -11.285 1.00 51.12 H new ATOM 0 HA ASP A 53 6.530 1.919 -8.378 1.00 61.54 H new ATOM 0 HB2 ASP A 53 8.919 2.736 -9.901 1.00 63.50 H new ATOM 0 HB3 ASP A 53 8.472 3.899 -8.669 1.00 63.50 H new ATOM 793 N LEU A 54 5.298 3.996 -10.294 1.00 23.22 N ATOM 794 CA LEU A 54 4.470 5.187 -10.448 1.00 60.33 C ATOM 795 C LEU A 54 3.080 4.821 -10.958 1.00 72.22 C ATOM 796 O LEU A 54 2.931 3.945 -11.811 1.00 1.13 O ATOM 797 CB LEU A 54 5.135 6.173 -11.410 1.00 0.21 C ATOM 798 CG LEU A 54 4.671 7.627 -11.308 1.00 32.43 C ATOM 799 CD1 LEU A 54 5.772 8.499 -10.724 1.00 75.31 C ATOM 800 CD2 LEU A 54 4.243 8.147 -12.672 1.00 74.11 C ATOM 0 H LEU A 54 5.218 3.325 -11.058 1.00 23.22 H new ATOM 0 HA LEU A 54 4.366 5.657 -9.470 1.00 60.33 H new ATOM 0 HB2 LEU A 54 6.212 6.144 -11.242 1.00 0.21 H new ATOM 0 HB3 LEU A 54 4.962 5.828 -12.429 1.00 0.21 H new ATOM 0 HG LEU A 54 3.811 7.668 -10.640 1.00 32.43 H new ATOM 0 HD11 LEU A 54 5.424 9.530 -10.659 1.00 75.31 H new ATOM 0 HD12 LEU A 54 6.031 8.140 -9.728 1.00 75.31 H new ATOM 0 HD13 LEU A 54 6.652 8.453 -11.366 1.00 75.31 H new ATOM 0 HD21 LEU A 54 3.916 9.183 -12.580 1.00 74.11 H new ATOM 0 HD22 LEU A 54 5.084 8.092 -13.363 1.00 74.11 H new ATOM 0 HD23 LEU A 54 3.421 7.539 -13.052 1.00 74.11 H new ATOM 812 N ARG A 55 2.065 5.498 -10.432 1.00 11.40 N ATOM 813 CA ARG A 55 0.687 5.245 -10.835 1.00 13.35 C ATOM 814 C ARG A 55 0.347 6.001 -12.116 1.00 62.42 C ATOM 815 O ARG A 55 1.147 6.794 -12.612 1.00 1.30 O ATOM 816 CB ARG A 55 -0.276 5.654 -9.719 1.00 14.35 C ATOM 817 CG ARG A 55 0.137 5.155 -8.344 1.00 4.43 C ATOM 818 CD ARG A 55 -0.714 5.775 -7.247 1.00 2.33 C ATOM 819 NE ARG A 55 -0.611 5.037 -5.991 1.00 73.40 N ATOM 820 CZ ARG A 55 0.477 5.030 -5.229 1.00 33.10 C ATOM 821 NH1 ARG A 55 1.549 5.719 -5.593 1.00 2.20 N ATOM 822 NH2 ARG A 55 0.493 4.333 -4.100 1.00 1.11 N ATOM 0 H ARG A 55 2.171 6.226 -9.726 1.00 11.40 H new ATOM 0 HA ARG A 55 0.581 4.177 -11.025 1.00 13.35 H new ATOM 0 HB2 ARG A 55 -0.349 6.741 -9.695 1.00 14.35 H new ATOM 0 HB3 ARG A 55 -1.270 5.273 -9.951 1.00 14.35 H new ATOM 0 HG2 ARG A 55 0.045 4.069 -8.307 1.00 4.43 H new ATOM 0 HG3 ARG A 55 1.186 5.392 -8.170 1.00 4.43 H new ATOM 0 HD2 ARG A 55 -0.403 6.808 -7.087 1.00 2.33 H new ATOM 0 HD3 ARG A 55 -1.755 5.801 -7.567 1.00 2.33 H new ATOM 0 HE ARG A 55 -1.419 4.497 -5.682 1.00 73.40 H new ATOM 0 HH11 ARG A 55 1.540 6.256 -6.460 1.00 2.20 H new ATOM 0 HH12 ARG A 55 2.383 5.712 -5.006 1.00 2.20 H new ATOM 0 HH21 ARG A 55 -0.331 3.802 -3.817 1.00 1.11 H new ATOM 0 HH22 ARG A 55 1.329 4.328 -3.515 1.00 1.11 H new ATOM 836 N VAL A 56 -0.844 5.747 -12.648 1.00 54.52 N ATOM 837 CA VAL A 56 -1.290 6.403 -13.872 1.00 13.54 C ATOM 838 C VAL A 56 -2.812 6.479 -13.932 1.00 22.25 C ATOM 839 O VAL A 56 -3.489 5.461 -14.077 1.00 53.12 O ATOM 840 CB VAL A 56 -0.774 5.669 -15.123 1.00 20.52 C ATOM 841 CG1 VAL A 56 -1.145 4.194 -15.068 1.00 12.53 C ATOM 842 CG2 VAL A 56 -1.321 6.318 -16.385 1.00 61.32 C ATOM 0 H VAL A 56 -1.518 5.092 -12.251 1.00 54.52 H new ATOM 0 HA VAL A 56 -0.879 7.412 -13.857 1.00 13.54 H new ATOM 0 HB VAL A 56 0.313 5.745 -15.145 1.00 20.52 H new ATOM 0 HG11 VAL A 56 -0.772 3.691 -15.960 1.00 12.53 H new ATOM 0 HG12 VAL A 56 -0.700 3.740 -14.183 1.00 12.53 H new ATOM 0 HG13 VAL A 56 -2.229 4.093 -15.021 1.00 12.53 H new ATOM 0 HG21 VAL A 56 -0.946 5.786 -17.259 1.00 61.32 H new ATOM 0 HG22 VAL A 56 -2.410 6.275 -16.374 1.00 61.32 H new ATOM 0 HG23 VAL A 56 -1.000 7.359 -16.428 1.00 61.32 H new ATOM 852 N PHE A 57 -3.344 7.691 -13.819 1.00 4.43 N ATOM 853 CA PHE A 57 -4.786 7.900 -13.860 1.00 12.44 C ATOM 854 C PHE A 57 -5.210 8.510 -15.193 1.00 20.32 C ATOM 855 O PHE A 57 -4.615 9.480 -15.662 1.00 53.14 O ATOM 856 CB PHE A 57 -5.224 8.809 -12.709 1.00 32.42 C ATOM 857 CG PHE A 57 -5.798 10.119 -13.165 1.00 14.52 C ATOM 858 CD1 PHE A 57 -4.975 11.212 -13.387 1.00 73.55 C ATOM 859 CD2 PHE A 57 -7.161 10.260 -13.370 1.00 75.33 C ATOM 860 CE1 PHE A 57 -5.500 12.419 -13.808 1.00 14.24 C ATOM 861 CE2 PHE A 57 -7.692 11.465 -13.791 1.00 32.53 C ATOM 862 CZ PHE A 57 -6.861 12.546 -14.008 1.00 61.14 C ATOM 0 H PHE A 57 -2.798 8.544 -13.698 1.00 4.43 H new ATOM 0 HA PHE A 57 -5.271 6.930 -13.753 1.00 12.44 H new ATOM 0 HB2 PHE A 57 -5.967 8.286 -12.106 1.00 32.42 H new ATOM 0 HB3 PHE A 57 -4.368 9.002 -12.063 1.00 32.42 H new ATOM 0 HD1 PHE A 57 -3.911 11.119 -13.229 1.00 73.55 H new ATOM 0 HD2 PHE A 57 -7.816 9.419 -13.199 1.00 75.33 H new ATOM 0 HE1 PHE A 57 -4.847 13.262 -13.980 1.00 14.24 H new ATOM 0 HE2 PHE A 57 -8.756 11.561 -13.950 1.00 32.53 H new ATOM 0 HZ PHE A 57 -7.274 13.489 -14.334 1.00 61.14 H new ATOM 872 N LYS A 58 -6.242 7.933 -15.799 1.00 31.43 N ATOM 873 CA LYS A 58 -6.748 8.417 -17.078 1.00 1.14 C ATOM 874 C LYS A 58 -7.984 9.289 -16.879 1.00 23.21 C ATOM 875 O LYS A 58 -8.863 8.964 -16.080 1.00 43.33 O ATOM 876 CB LYS A 58 -7.083 7.240 -17.996 1.00 35.32 C ATOM 877 CG LYS A 58 -6.431 7.330 -19.364 1.00 43.33 C ATOM 878 CD LYS A 58 -6.455 5.992 -20.084 1.00 13.15 C ATOM 879 CE LYS A 58 -7.513 5.966 -21.176 1.00 42.15 C ATOM 880 NZ LYS A 58 -8.279 4.689 -21.176 1.00 51.35 N ATOM 0 H LYS A 58 -6.745 7.129 -15.424 1.00 31.43 H new ATOM 0 HA LYS A 58 -5.969 9.022 -17.543 1.00 1.14 H new ATOM 0 HB2 LYS A 58 -6.770 6.314 -17.514 1.00 35.32 H new ATOM 0 HB3 LYS A 58 -8.164 7.184 -18.121 1.00 35.32 H new ATOM 0 HG2 LYS A 58 -6.948 8.077 -19.966 1.00 43.33 H new ATOM 0 HG3 LYS A 58 -5.400 7.667 -19.255 1.00 43.33 H new ATOM 0 HD2 LYS A 58 -5.476 5.795 -20.520 1.00 13.15 H new ATOM 0 HD3 LYS A 58 -6.651 5.195 -19.367 1.00 13.15 H new ATOM 0 HE2 LYS A 58 -8.199 6.801 -21.037 1.00 42.15 H new ATOM 0 HE3 LYS A 58 -7.037 6.104 -22.147 1.00 42.15 H new ATOM 0 HZ1 LYS A 58 -8.990 4.711 -21.935 1.00 51.35 H new ATOM 0 HZ2 LYS A 58 -7.628 3.894 -21.334 1.00 51.35 H new ATOM 0 HZ3 LYS A 58 -8.755 4.570 -20.259 1.00 51.35 H new ATOM 894 N VAL A 59 -8.045 10.396 -17.611 1.00 53.34 N ATOM 895 CA VAL A 59 -9.175 11.313 -17.517 1.00 41.34 C ATOM 896 C VAL A 59 -9.791 11.568 -18.888 1.00 53.33 C ATOM 897 O VAL A 59 -9.126 12.062 -19.797 1.00 44.31 O ATOM 898 CB VAL A 59 -8.755 12.659 -16.897 1.00 51.21 C ATOM 899 CG1 VAL A 59 -7.406 13.102 -17.444 1.00 33.34 C ATOM 900 CG2 VAL A 59 -9.817 13.718 -17.154 1.00 21.12 C ATOM 0 H VAL A 59 -7.325 10.680 -18.276 1.00 53.34 H new ATOM 0 HA VAL A 59 -9.915 10.839 -16.872 1.00 41.34 H new ATOM 0 HB VAL A 59 -8.658 12.528 -15.819 1.00 51.21 H new ATOM 0 HG11 VAL A 59 -7.126 14.055 -16.994 1.00 33.34 H new ATOM 0 HG12 VAL A 59 -6.652 12.352 -17.204 1.00 33.34 H new ATOM 0 HG13 VAL A 59 -7.472 13.217 -18.526 1.00 33.34 H new ATOM 0 HG21 VAL A 59 -9.504 14.663 -16.709 1.00 21.12 H new ATOM 0 HG22 VAL A 59 -9.948 13.849 -18.228 1.00 21.12 H new ATOM 0 HG23 VAL A 59 -10.761 13.402 -16.709 1.00 21.12 H new ATOM 910 N ASN A 60 -11.068 11.228 -19.029 1.00 74.13 N ATOM 911 CA ASN A 60 -11.776 11.420 -20.290 1.00 62.11 C ATOM 912 C ASN A 60 -12.480 12.773 -20.318 1.00 41.12 C ATOM 913 O ASN A 60 -12.874 13.302 -19.278 1.00 73.54 O ATOM 914 CB ASN A 60 -12.794 10.298 -20.504 1.00 0.14 C ATOM 915 CG ASN A 60 -12.835 9.820 -21.942 1.00 43.33 C ATOM 916 OD1 ASN A 60 -13.701 10.225 -22.718 1.00 61.40 O ATOM 917 ND2 ASN A 60 -11.895 8.955 -22.305 1.00 31.31 N ATOM 0 H ASN A 60 -11.634 10.818 -18.286 1.00 74.13 H new ATOM 0 HA ASN A 60 -11.043 11.395 -21.097 1.00 62.11 H new ATOM 0 HB2 ASN A 60 -12.548 9.459 -19.852 1.00 0.14 H new ATOM 0 HB3 ASN A 60 -13.784 10.649 -20.213 1.00 0.14 H new ATOM 0 HD21 ASN A 60 -11.871 8.599 -23.261 1.00 31.31 H new ATOM 0 HD22 ASN A 60 -11.197 8.647 -21.628 1.00 31.31 H new ATOM 924 N PHE A 61 -12.635 13.329 -21.515 1.00 62.44 N ATOM 925 CA PHE A 61 -13.291 14.620 -21.680 1.00 11.43 C ATOM 926 C PHE A 61 -14.701 14.592 -21.097 1.00 51.12 C ATOM 927 O PHE A 61 -15.304 15.637 -20.852 1.00 11.01 O ATOM 928 CB PHE A 61 -13.346 15.004 -23.160 1.00 73.30 C ATOM 929 CG PHE A 61 -14.356 14.217 -23.946 1.00 21.33 C ATOM 930 CD1 PHE A 61 -14.061 12.940 -24.395 1.00 71.31 C ATOM 931 CD2 PHE A 61 -15.600 14.754 -24.235 1.00 43.34 C ATOM 932 CE1 PHE A 61 -14.988 12.213 -25.118 1.00 71.41 C ATOM 933 CE2 PHE A 61 -16.531 14.032 -24.958 1.00 23.15 C ATOM 934 CZ PHE A 61 -16.224 12.760 -25.400 1.00 51.15 C ATOM 0 H PHE A 61 -12.315 12.905 -22.386 1.00 62.44 H new ATOM 0 HA PHE A 61 -12.708 15.367 -21.140 1.00 11.43 H new ATOM 0 HB2 PHE A 61 -13.579 16.065 -23.243 1.00 73.30 H new ATOM 0 HB3 PHE A 61 -12.360 14.859 -23.602 1.00 73.30 H new ATOM 0 HD1 PHE A 61 -13.096 12.508 -24.178 1.00 71.31 H new ATOM 0 HD2 PHE A 61 -15.845 15.748 -23.891 1.00 43.34 H new ATOM 0 HE1 PHE A 61 -14.746 11.218 -25.462 1.00 71.41 H new ATOM 0 HE2 PHE A 61 -17.497 14.462 -25.177 1.00 23.15 H new ATOM 0 HZ PHE A 61 -16.950 12.194 -25.965 1.00 51.15 H new ATOM 944 N ASP A 62 -15.220 13.389 -20.879 1.00 74.00 N ATOM 945 CA ASP A 62 -16.559 13.223 -20.325 1.00 11.00 C ATOM 946 C ASP A 62 -16.599 13.652 -18.862 1.00 24.04 C ATOM 947 O ASP A 62 -17.669 13.892 -18.302 1.00 0.41 O ATOM 948 CB ASP A 62 -17.011 11.768 -20.455 1.00 73.32 C ATOM 949 CG ASP A 62 -16.971 11.275 -21.888 1.00 64.23 C ATOM 950 OD1 ASP A 62 -17.603 11.915 -22.754 1.00 72.14 O ATOM 951 OD2 ASP A 62 -16.305 10.250 -22.144 1.00 35.41 O ATOM 0 H ASP A 62 -14.734 12.514 -21.077 1.00 74.00 H new ATOM 0 HA ASP A 62 -17.240 13.859 -20.890 1.00 11.00 H new ATOM 0 HB2 ASP A 62 -16.372 11.136 -19.838 1.00 73.32 H new ATOM 0 HB3 ASP A 62 -18.025 11.670 -20.068 1.00 73.32 H new ATOM 956 N THR A 63 -15.424 13.745 -18.245 1.00 52.14 N ATOM 957 CA THR A 63 -15.324 14.142 -16.847 1.00 12.52 C ATOM 958 C THR A 63 -14.823 15.576 -16.717 1.00 50.21 C ATOM 959 O THR A 63 -15.292 16.332 -15.866 1.00 63.14 O ATOM 960 CB THR A 63 -14.383 13.209 -16.063 1.00 64.44 C ATOM 961 OG1 THR A 63 -14.717 11.842 -16.328 1.00 21.43 O ATOM 962 CG2 THR A 63 -14.473 13.478 -14.569 1.00 12.30 C ATOM 0 H THR A 63 -14.529 13.550 -18.693 1.00 52.14 H new ATOM 0 HA THR A 63 -16.327 14.070 -16.426 1.00 12.52 H new ATOM 0 HB THR A 63 -13.361 13.403 -16.389 1.00 64.44 H new ATOM 0 HG1 THR A 63 -14.532 11.300 -15.533 1.00 21.43 H new ATOM 0 HG21 THR A 63 -13.799 12.806 -14.037 1.00 12.30 H new ATOM 0 HG22 THR A 63 -14.189 14.511 -14.368 1.00 12.30 H new ATOM 0 HG23 THR A 63 -15.495 13.310 -14.230 1.00 12.30 H new ATOM 970 N GLN A 64 -13.869 15.944 -17.566 1.00 62.22 N ATOM 971 CA GLN A 64 -13.305 17.288 -17.545 1.00 44.12 C ATOM 972 C GLN A 64 -14.030 18.198 -18.531 1.00 45.14 C ATOM 973 O GLN A 64 -13.493 19.220 -18.959 1.00 51.43 O ATOM 974 CB GLN A 64 -11.812 17.243 -17.877 1.00 71.11 C ATOM 975 CG GLN A 64 -11.507 16.605 -19.223 1.00 31.54 C ATOM 976 CD GLN A 64 -10.168 17.040 -19.785 1.00 73.20 C ATOM 977 OE1 GLN A 64 -10.203 17.871 -20.820 1.00 53.21 O flip ATOM 978 NE2 GLN A 64 -9.114 16.633 -19.295 1.00 3.32 N flip ATOM 0 H GLN A 64 -13.471 15.330 -18.277 1.00 62.22 H new ATOM 0 HA GLN A 64 -13.435 17.693 -16.542 1.00 44.12 H new ATOM 0 HB2 GLN A 64 -11.415 18.258 -17.867 1.00 71.11 H new ATOM 0 HB3 GLN A 64 -11.291 16.690 -17.096 1.00 71.11 H new ATOM 0 HG2 GLN A 64 -11.517 15.520 -19.117 1.00 31.54 H new ATOM 0 HG3 GLN A 64 -12.295 16.864 -19.930 1.00 31.54 H new ATOM 0 HE21 GLN A 64 -9.134 15.995 -18.499 1.00 3.32 H new ATOM 0 HE22 GLN A 64 -8.221 16.934 -19.685 1.00 3.32 H new ATOM 987 N LYS A 65 -15.252 17.820 -18.889 1.00 70.11 N ATOM 988 CA LYS A 65 -16.052 18.601 -19.824 1.00 53.53 C ATOM 989 C LYS A 65 -16.252 20.025 -19.313 1.00 25.42 C ATOM 990 O LYS A 65 -16.648 20.914 -20.065 1.00 10.54 O ATOM 991 CB LYS A 65 -17.411 17.933 -20.047 1.00 40.41 C ATOM 992 CG LYS A 65 -18.341 18.032 -18.850 1.00 40.44 C ATOM 993 CD LYS A 65 -19.603 17.212 -19.056 1.00 33.23 C ATOM 994 CE LYS A 65 -20.490 17.813 -20.135 1.00 43.44 C ATOM 995 NZ LYS A 65 -21.586 16.887 -20.533 1.00 65.13 N ATOM 0 H LYS A 65 -15.710 16.976 -18.545 1.00 70.11 H new ATOM 0 HA LYS A 65 -15.516 18.646 -20.772 1.00 53.53 H new ATOM 0 HB2 LYS A 65 -17.894 18.390 -20.911 1.00 40.41 H new ATOM 0 HB3 LYS A 65 -17.254 16.882 -20.289 1.00 40.41 H new ATOM 0 HG2 LYS A 65 -17.823 17.686 -17.956 1.00 40.44 H new ATOM 0 HG3 LYS A 65 -18.607 19.075 -18.680 1.00 40.44 H new ATOM 0 HD2 LYS A 65 -19.334 16.192 -19.331 1.00 33.23 H new ATOM 0 HD3 LYS A 65 -20.157 17.154 -18.119 1.00 33.23 H new ATOM 0 HE2 LYS A 65 -20.918 18.748 -19.774 1.00 43.44 H new ATOM 0 HE3 LYS A 65 -19.885 18.056 -21.009 1.00 43.44 H new ATOM 0 HZ1 LYS A 65 -22.168 17.334 -21.270 1.00 65.13 H new ATOM 0 HZ2 LYS A 65 -21.178 16.004 -20.902 1.00 65.13 H new ATOM 0 HZ3 LYS A 65 -22.179 16.675 -19.705 1.00 65.13 H new ATOM 1009 N ALA A 66 -15.972 20.232 -18.030 1.00 55.01 N ATOM 1010 CA ALA A 66 -16.118 21.548 -17.420 1.00 22.32 C ATOM 1011 C ALA A 66 -14.881 22.406 -17.664 1.00 72.12 C ATOM 1012 O ALA A 66 -14.864 23.593 -17.340 1.00 60.11 O ATOM 1013 CB ALA A 66 -16.381 21.411 -15.927 1.00 52.05 C ATOM 0 H ALA A 66 -15.643 19.506 -17.394 1.00 55.01 H new ATOM 0 HA ALA A 66 -16.970 22.044 -17.884 1.00 22.32 H new ATOM 0 HB1 ALA A 66 -16.488 22.401 -15.484 1.00 52.05 H new ATOM 0 HB2 ALA A 66 -17.297 20.842 -15.770 1.00 52.05 H new ATOM 0 HB3 ALA A 66 -15.546 20.891 -15.457 1.00 52.05 H new ATOM 1019 N ALA A 67 -13.848 21.797 -18.237 1.00 40.11 N ATOM 1020 CA ALA A 67 -12.608 22.506 -18.526 1.00 3.32 C ATOM 1021 C ALA A 67 -12.691 23.235 -19.863 1.00 4.44 C ATOM 1022 O ALA A 67 -12.426 24.436 -19.944 1.00 75.22 O ATOM 1023 CB ALA A 67 -11.433 21.539 -18.522 1.00 74.22 C ATOM 0 H ALA A 67 -13.846 20.814 -18.510 1.00 40.11 H new ATOM 0 HA ALA A 67 -12.454 23.250 -17.745 1.00 3.32 H new ATOM 0 HB1 ALA A 67 -10.514 22.083 -18.739 1.00 74.22 H new ATOM 0 HB2 ALA A 67 -11.353 21.068 -17.542 1.00 74.22 H new ATOM 0 HB3 ALA A 67 -11.590 20.773 -19.281 1.00 74.22 H new ATOM 1029 N LEU A 68 -13.058 22.504 -20.908 1.00 71.54 N ATOM 1030 CA LEU A 68 -13.175 23.081 -22.243 1.00 73.21 C ATOM 1031 C LEU A 68 -14.507 23.805 -22.408 1.00 15.20 C ATOM 1032 O LEU A 68 -14.681 24.602 -23.330 1.00 31.32 O ATOM 1033 CB LEU A 68 -13.040 21.989 -23.306 1.00 53.20 C ATOM 1034 CG LEU A 68 -13.671 20.638 -22.965 1.00 4.52 C ATOM 1035 CD1 LEU A 68 -12.775 19.856 -22.017 1.00 70.54 C ATOM 1036 CD2 LEU A 68 -15.052 20.833 -22.357 1.00 72.12 C ATOM 0 H LEU A 68 -13.280 21.510 -20.858 1.00 71.54 H new ATOM 0 HA LEU A 68 -12.370 23.805 -22.371 1.00 73.21 H new ATOM 0 HB2 LEU A 68 -13.487 22.353 -24.231 1.00 53.20 H new ATOM 0 HB3 LEU A 68 -11.980 21.832 -23.505 1.00 53.20 H new ATOM 0 HG LEU A 68 -13.779 20.065 -23.886 1.00 4.52 H new ATOM 0 HD11 LEU A 68 -13.239 18.898 -21.785 1.00 70.54 H new ATOM 0 HD12 LEU A 68 -11.807 19.686 -22.489 1.00 70.54 H new ATOM 0 HD13 LEU A 68 -12.635 20.424 -21.097 1.00 70.54 H new ATOM 0 HD21 LEU A 68 -15.486 19.861 -22.121 1.00 72.12 H new ATOM 0 HD22 LEU A 68 -14.968 21.424 -21.445 1.00 72.12 H new ATOM 0 HD23 LEU A 68 -15.693 21.353 -23.069 1.00 72.12 H new ATOM 1048 N GLN A 69 -15.444 23.524 -21.507 1.00 45.02 N ATOM 1049 CA GLN A 69 -16.759 24.150 -21.553 1.00 15.42 C ATOM 1050 C GLN A 69 -16.758 25.476 -20.799 1.00 3.12 C ATOM 1051 O GLN A 69 -17.551 26.369 -21.095 1.00 4.52 O ATOM 1052 CB GLN A 69 -17.814 23.214 -20.960 1.00 0.21 C ATOM 1053 CG GLN A 69 -19.226 23.774 -21.017 1.00 50.35 C ATOM 1054 CD GLN A 69 -20.233 22.765 -21.533 1.00 14.33 C ATOM 1055 OE1 GLN A 69 -20.197 22.375 -22.700 1.00 30.01 O ATOM 1056 NE2 GLN A 69 -21.140 22.337 -20.663 1.00 35.24 N ATOM 0 H GLN A 69 -15.316 22.867 -20.737 1.00 45.02 H new ATOM 0 HA GLN A 69 -17.003 24.347 -22.597 1.00 15.42 H new ATOM 0 HB2 GLN A 69 -17.787 22.265 -21.495 1.00 0.21 H new ATOM 0 HB3 GLN A 69 -17.558 23.003 -19.922 1.00 0.21 H new ATOM 0 HG2 GLN A 69 -19.523 24.102 -20.021 1.00 50.35 H new ATOM 0 HG3 GLN A 69 -19.238 24.655 -21.659 1.00 50.35 H new ATOM 0 HE21 GLN A 69 -21.133 22.687 -19.705 1.00 35.24 H new ATOM 0 HE22 GLN A 69 -21.844 21.658 -20.953 1.00 35.24 H new ATOM 1065 N GLN A 70 -15.862 25.596 -19.824 1.00 34.52 N ATOM 1066 CA GLN A 70 -15.759 26.812 -19.027 1.00 52.30 C ATOM 1067 C GLN A 70 -14.702 27.750 -19.600 1.00 3.10 C ATOM 1068 O GLN A 70 -14.871 28.970 -19.596 1.00 60.42 O ATOM 1069 CB GLN A 70 -15.421 26.469 -17.575 1.00 41.22 C ATOM 1070 CG GLN A 70 -15.457 27.669 -16.642 1.00 72.13 C ATOM 1071 CD GLN A 70 -14.609 27.470 -15.402 1.00 24.40 C ATOM 1072 OE1 GLN A 70 -13.951 26.440 -15.244 1.00 52.43 O ATOM 1073 NE2 GLN A 70 -14.618 28.456 -14.513 1.00 32.10 N ATOM 0 H GLN A 70 -15.197 24.866 -19.568 1.00 34.52 H new ATOM 0 HA GLN A 70 -16.723 27.319 -19.057 1.00 52.30 H new ATOM 0 HB2 GLN A 70 -16.124 25.718 -17.215 1.00 41.22 H new ATOM 0 HB3 GLN A 70 -14.428 26.020 -17.538 1.00 41.22 H new ATOM 0 HG2 GLN A 70 -15.108 28.552 -17.178 1.00 72.13 H new ATOM 0 HG3 GLN A 70 -16.488 27.863 -16.345 1.00 72.13 H new ATOM 0 HE21 GLN A 70 -15.177 29.292 -14.684 1.00 32.10 H new ATOM 0 HE22 GLN A 70 -14.066 28.378 -13.659 1.00 32.10 H new ATOM 1082 N PHE A 71 -13.610 27.173 -20.092 1.00 13.12 N ATOM 1083 CA PHE A 71 -12.524 27.958 -20.667 1.00 70.42 C ATOM 1084 C PHE A 71 -12.594 27.948 -22.191 1.00 74.05 C ATOM 1085 O PHE A 71 -11.809 28.617 -22.864 1.00 33.50 O ATOM 1086 CB PHE A 71 -11.172 27.412 -20.204 1.00 64.24 C ATOM 1087 CG PHE A 71 -10.038 28.378 -20.397 1.00 64.33 C ATOM 1088 CD1 PHE A 71 -9.026 28.107 -21.305 1.00 32.12 C ATOM 1089 CD2 PHE A 71 -9.983 29.556 -19.671 1.00 2.23 C ATOM 1090 CE1 PHE A 71 -7.981 28.994 -21.485 1.00 74.30 C ATOM 1091 CE2 PHE A 71 -8.941 30.447 -19.847 1.00 22.10 C ATOM 1092 CZ PHE A 71 -7.938 30.165 -20.754 1.00 73.23 C ATOM 0 H PHE A 71 -13.454 26.165 -20.104 1.00 13.12 H new ATOM 0 HA PHE A 71 -12.630 28.987 -20.323 1.00 70.42 H new ATOM 0 HB2 PHE A 71 -11.238 27.148 -19.149 1.00 64.24 H new ATOM 0 HB3 PHE A 71 -10.954 26.494 -20.750 1.00 64.24 H new ATOM 0 HD1 PHE A 71 -9.054 27.192 -21.878 1.00 32.12 H new ATOM 0 HD2 PHE A 71 -10.763 29.781 -18.959 1.00 2.23 H new ATOM 0 HE1 PHE A 71 -7.199 28.772 -22.196 1.00 74.30 H new ATOM 0 HE2 PHE A 71 -8.911 31.363 -19.276 1.00 22.10 H new ATOM 0 HZ PHE A 71 -7.122 30.859 -20.891 1.00 73.23 H new ATOM 1102 N ARG A 72 -13.540 27.185 -22.729 1.00 71.43 N ATOM 1103 CA ARG A 72 -13.713 27.086 -24.174 1.00 24.24 C ATOM 1104 C ARG A 72 -12.495 26.435 -24.823 1.00 43.33 C ATOM 1105 O ARG A 72 -12.339 26.465 -26.044 1.00 40.21 O ATOM 1106 CB ARG A 72 -13.946 28.472 -24.777 1.00 13.02 C ATOM 1107 CG ARG A 72 -14.947 29.313 -24.001 1.00 74.24 C ATOM 1108 CD ARG A 72 -16.047 29.846 -24.907 1.00 5.22 C ATOM 1109 NE ARG A 72 -15.537 30.815 -25.873 1.00 52.44 N ATOM 1110 CZ ARG A 72 -16.192 31.170 -26.973 1.00 53.31 C ATOM 1111 NH1 ARG A 72 -17.376 30.639 -27.244 1.00 74.10 N ATOM 1112 NH2 ARG A 72 -15.663 32.059 -27.804 1.00 52.13 N ATOM 0 H ARG A 72 -14.199 26.626 -22.186 1.00 71.43 H new ATOM 0 HA ARG A 72 -14.585 26.462 -24.369 1.00 24.24 H new ATOM 0 HB2 ARG A 72 -12.996 29.004 -24.823 1.00 13.02 H new ATOM 0 HB3 ARG A 72 -14.297 28.358 -25.803 1.00 13.02 H new ATOM 0 HG2 ARG A 72 -15.388 28.713 -23.205 1.00 74.24 H new ATOM 0 HG3 ARG A 72 -14.431 30.146 -23.524 1.00 74.24 H new ATOM 0 HD2 ARG A 72 -16.514 29.016 -25.438 1.00 5.22 H new ATOM 0 HD3 ARG A 72 -16.823 30.313 -24.300 1.00 5.22 H new ATOM 0 HE ARG A 72 -14.628 31.243 -25.693 1.00 52.44 H new ATOM 0 HH11 ARG A 72 -17.786 29.956 -26.607 1.00 74.10 H new ATOM 0 HH12 ARG A 72 -17.877 30.913 -28.089 1.00 74.10 H new ATOM 0 HH21 ARG A 72 -14.753 32.471 -27.599 1.00 52.13 H new ATOM 0 HH22 ARG A 72 -16.167 32.331 -28.648 1.00 52.13 H new ATOM 1126 N VAL A 73 -11.633 25.848 -23.999 1.00 12.24 N ATOM 1127 CA VAL A 73 -10.430 25.190 -24.492 1.00 45.03 C ATOM 1128 C VAL A 73 -9.863 24.230 -23.453 1.00 24.33 C ATOM 1129 O VAL A 73 -9.661 24.599 -22.296 1.00 14.11 O ATOM 1130 CB VAL A 73 -9.345 26.215 -24.873 1.00 52.42 C ATOM 1131 CG1 VAL A 73 -7.960 25.603 -24.738 1.00 64.44 C ATOM 1132 CG2 VAL A 73 -9.574 26.732 -26.286 1.00 23.13 C ATOM 0 H VAL A 73 -11.746 25.815 -22.986 1.00 12.24 H new ATOM 0 HA VAL A 73 -10.719 24.630 -25.381 1.00 45.03 H new ATOM 0 HB VAL A 73 -9.410 27.059 -24.186 1.00 52.42 H new ATOM 0 HG11 VAL A 73 -7.207 26.342 -25.012 1.00 64.44 H new ATOM 0 HG12 VAL A 73 -7.801 25.287 -23.707 1.00 64.44 H new ATOM 0 HG13 VAL A 73 -7.878 24.740 -25.399 1.00 64.44 H new ATOM 0 HG21 VAL A 73 -8.799 27.455 -26.539 1.00 23.13 H new ATOM 0 HG22 VAL A 73 -9.537 25.899 -26.989 1.00 23.13 H new ATOM 0 HG23 VAL A 73 -10.551 27.212 -26.344 1.00 23.13 H new ATOM 1142 N SER A 74 -9.606 22.995 -23.873 1.00 54.11 N ATOM 1143 CA SER A 74 -9.065 21.979 -22.978 1.00 13.55 C ATOM 1144 C SER A 74 -9.126 20.598 -23.623 1.00 12.24 C ATOM 1145 O SER A 74 -10.057 19.830 -23.381 1.00 42.02 O ATOM 1146 CB SER A 74 -9.836 21.972 -21.656 1.00 3.02 C ATOM 1147 OG SER A 74 -9.700 20.727 -20.993 1.00 70.45 O ATOM 0 H SER A 74 -9.764 22.674 -24.828 1.00 54.11 H new ATOM 0 HA SER A 74 -8.021 22.222 -22.781 1.00 13.55 H new ATOM 0 HB2 SER A 74 -9.469 22.772 -21.013 1.00 3.02 H new ATOM 0 HB3 SER A 74 -10.890 22.174 -21.845 1.00 3.02 H new ATOM 0 HG SER A 74 -10.091 20.018 -21.545 1.00 70.45 H new ATOM 1153 N GLN A 75 -8.127 20.291 -24.444 1.00 33.03 N ATOM 1154 CA GLN A 75 -8.067 19.003 -25.124 1.00 73.14 C ATOM 1155 C GLN A 75 -7.664 17.895 -24.158 1.00 20.54 C ATOM 1156 O GLN A 75 -7.651 18.093 -22.943 1.00 65.21 O ATOM 1157 CB GLN A 75 -7.079 19.064 -26.290 1.00 64.11 C ATOM 1158 CG GLN A 75 -7.617 18.458 -27.576 1.00 44.34 C ATOM 1159 CD GLN A 75 -7.431 19.370 -28.773 1.00 40.31 C ATOM 1160 OE1 GLN A 75 -6.369 19.388 -29.396 1.00 2.33 O ATOM 1161 NE2 GLN A 75 -8.466 20.134 -29.102 1.00 13.22 N ATOM 0 H GLN A 75 -7.349 20.916 -24.654 1.00 33.03 H new ATOM 0 HA GLN A 75 -9.061 18.778 -25.510 1.00 73.14 H new ATOM 0 HB2 GLN A 75 -6.810 20.104 -26.473 1.00 64.11 H new ATOM 0 HB3 GLN A 75 -6.164 18.543 -26.008 1.00 64.11 H new ATOM 0 HG2 GLN A 75 -7.114 17.510 -27.765 1.00 44.34 H new ATOM 0 HG3 GLN A 75 -8.677 18.237 -27.453 1.00 44.34 H new ATOM 0 HE21 GLN A 75 -9.328 20.087 -28.558 1.00 13.22 H new ATOM 0 HE22 GLN A 75 -8.399 20.768 -29.899 1.00 13.22 H new ATOM 1170 N GLN A 76 -7.337 16.729 -24.705 1.00 63.52 N ATOM 1171 CA GLN A 76 -6.934 15.589 -23.890 1.00 72.50 C ATOM 1172 C GLN A 76 -5.485 15.204 -24.169 1.00 41.32 C ATOM 1173 O GLN A 76 -5.214 14.198 -24.825 1.00 14.13 O ATOM 1174 CB GLN A 76 -7.851 14.394 -24.158 1.00 15.03 C ATOM 1175 CG GLN A 76 -9.278 14.788 -24.503 1.00 54.23 C ATOM 1176 CD GLN A 76 -9.992 15.467 -23.351 1.00 4.52 C ATOM 1177 OE1 GLN A 76 -10.305 14.836 -22.341 1.00 4.52 O ATOM 1178 NE2 GLN A 76 -10.253 16.761 -23.496 1.00 4.41 N ATOM 0 H GLN A 76 -7.343 16.549 -25.709 1.00 63.52 H new ATOM 0 HA GLN A 76 -7.019 15.877 -22.842 1.00 72.50 H new ATOM 0 HB2 GLN A 76 -7.437 13.806 -24.977 1.00 15.03 H new ATOM 0 HB3 GLN A 76 -7.863 13.751 -23.278 1.00 15.03 H new ATOM 0 HG2 GLN A 76 -9.268 15.457 -25.364 1.00 54.23 H new ATOM 0 HG3 GLN A 76 -9.835 13.899 -24.797 1.00 54.23 H new ATOM 0 HE21 GLN A 76 -9.976 17.245 -24.350 1.00 4.41 H new ATOM 0 HE22 GLN A 76 -10.731 17.271 -22.753 1.00 4.41 H new ATOM 1187 N SER A 77 -4.556 16.013 -23.668 1.00 34.43 N ATOM 1188 CA SER A 77 -3.134 15.760 -23.867 1.00 32.52 C ATOM 1189 C SER A 77 -2.327 16.210 -22.653 1.00 51.10 C ATOM 1190 O SER A 77 -1.103 16.329 -22.715 1.00 41.22 O ATOM 1191 CB SER A 77 -2.637 16.481 -25.121 1.00 2.23 C ATOM 1192 OG SER A 77 -1.243 16.298 -25.295 1.00 65.24 O ATOM 0 H SER A 77 -4.763 16.849 -23.121 1.00 34.43 H new ATOM 0 HA SER A 77 -2.995 14.687 -23.995 1.00 32.52 H new ATOM 0 HB2 SER A 77 -3.168 16.105 -25.995 1.00 2.23 H new ATOM 0 HB3 SER A 77 -2.861 17.545 -25.045 1.00 2.23 H new ATOM 0 HG SER A 77 -0.831 16.085 -24.432 1.00 65.24 H new ATOM 1198 N THR A 78 -3.022 16.460 -21.548 1.00 32.25 N ATOM 1199 CA THR A 78 -2.372 16.898 -20.319 1.00 14.41 C ATOM 1200 C THR A 78 -1.659 15.740 -19.631 1.00 11.45 C ATOM 1201 O THR A 78 -2.244 14.678 -19.415 1.00 65.32 O ATOM 1202 CB THR A 78 -3.385 17.518 -19.338 1.00 54.41 C ATOM 1203 OG1 THR A 78 -3.768 18.823 -19.789 1.00 35.53 O ATOM 1204 CG2 THR A 78 -2.796 17.613 -17.939 1.00 21.41 C ATOM 0 H THR A 78 -4.035 16.367 -21.479 1.00 32.25 H new ATOM 0 HA THR A 78 -1.640 17.655 -20.601 1.00 14.41 H new ATOM 0 HB THR A 78 -4.263 16.873 -19.302 1.00 54.41 H new ATOM 0 HG1 THR A 78 -3.023 19.446 -19.657 1.00 35.53 H new ATOM 0 HG21 THR A 78 -3.530 18.054 -17.264 1.00 21.41 H new ATOM 0 HG22 THR A 78 -2.532 16.616 -17.587 1.00 21.41 H new ATOM 0 HG23 THR A 78 -1.903 18.238 -17.962 1.00 21.41 H new ATOM 1212 N LEU A 79 -0.394 15.952 -19.286 1.00 64.14 N ATOM 1213 CA LEU A 79 0.400 14.925 -18.621 1.00 21.14 C ATOM 1214 C LEU A 79 1.371 15.548 -17.623 1.00 41.41 C ATOM 1215 O LEU A 79 2.279 16.288 -18.005 1.00 32.21 O ATOM 1216 CB LEU A 79 1.171 14.100 -19.652 1.00 61.44 C ATOM 1217 CG LEU A 79 2.501 13.510 -19.182 1.00 31.52 C ATOM 1218 CD1 LEU A 79 2.315 12.747 -17.879 1.00 5.30 C ATOM 1219 CD2 LEU A 79 3.091 12.604 -20.253 1.00 20.54 C ATOM 0 H LEU A 79 0.104 16.826 -19.456 1.00 64.14 H new ATOM 0 HA LEU A 79 -0.281 14.270 -18.077 1.00 21.14 H new ATOM 0 HB2 LEU A 79 0.532 13.283 -19.985 1.00 61.44 H new ATOM 0 HB3 LEU A 79 1.363 14.729 -20.521 1.00 61.44 H new ATOM 0 HG LEU A 79 3.197 14.329 -19.004 1.00 31.52 H new ATOM 0 HD11 LEU A 79 3.272 12.334 -17.559 1.00 5.30 H new ATOM 0 HD12 LEU A 79 1.937 13.423 -17.112 1.00 5.30 H new ATOM 0 HD13 LEU A 79 1.602 11.936 -18.031 1.00 5.30 H new ATOM 0 HD21 LEU A 79 4.037 12.193 -19.901 1.00 20.54 H new ATOM 0 HD22 LEU A 79 2.398 11.790 -20.463 1.00 20.54 H new ATOM 0 HD23 LEU A 79 3.261 13.179 -21.163 1.00 20.54 H new ATOM 1231 N ILE A 80 1.175 15.244 -16.345 1.00 32.32 N ATOM 1232 CA ILE A 80 2.035 15.772 -15.293 1.00 62.33 C ATOM 1233 C ILE A 80 1.973 14.901 -14.043 1.00 64.53 C ATOM 1234 O ILE A 80 0.921 14.767 -13.418 1.00 32.14 O ATOM 1235 CB ILE A 80 1.647 17.214 -14.920 1.00 12.44 C ATOM 1236 CG1 ILE A 80 2.395 17.657 -13.660 1.00 53.13 C ATOM 1237 CG2 ILE A 80 0.143 17.322 -14.715 1.00 22.03 C ATOM 1238 CD1 ILE A 80 2.099 19.083 -13.252 1.00 0.30 C ATOM 0 H ILE A 80 0.428 14.634 -16.013 1.00 32.32 H new ATOM 0 HA ILE A 80 3.052 15.768 -15.685 1.00 62.33 H new ATOM 0 HB ILE A 80 1.931 17.874 -15.740 1.00 12.44 H new ATOM 0 HG12 ILE A 80 2.133 16.991 -12.838 1.00 53.13 H new ATOM 0 HG13 ILE A 80 3.467 17.550 -13.827 1.00 53.13 H new ATOM 0 HG21 ILE A 80 -0.116 18.348 -14.452 1.00 22.03 H new ATOM 0 HG22 ILE A 80 -0.371 17.043 -15.635 1.00 22.03 H new ATOM 0 HG23 ILE A 80 -0.164 16.653 -13.911 1.00 22.03 H new ATOM 0 HD11 ILE A 80 2.663 19.328 -12.352 1.00 0.30 H new ATOM 0 HD12 ILE A 80 2.388 19.759 -14.057 1.00 0.30 H new ATOM 0 HD13 ILE A 80 1.033 19.191 -13.053 1.00 0.30 H new ATOM 1250 N LEU A 81 3.108 14.311 -13.683 1.00 70.23 N ATOM 1251 CA LEU A 81 3.184 13.453 -12.506 1.00 4.13 C ATOM 1252 C LEU A 81 3.821 14.193 -11.334 1.00 21.14 C ATOM 1253 O LEU A 81 4.679 15.055 -11.523 1.00 44.21 O ATOM 1254 CB LEU A 81 3.986 12.189 -12.822 1.00 42.41 C ATOM 1255 CG LEU A 81 5.464 12.217 -12.431 1.00 21.30 C ATOM 1256 CD1 LEU A 81 5.649 11.711 -11.009 1.00 24.22 C ATOM 1257 CD2 LEU A 81 6.289 11.389 -13.405 1.00 61.53 C ATOM 0 H LEU A 81 3.988 14.411 -14.189 1.00 70.23 H new ATOM 0 HA LEU A 81 2.169 13.171 -12.226 1.00 4.13 H new ATOM 0 HB2 LEU A 81 3.513 11.347 -12.317 1.00 42.41 H new ATOM 0 HB3 LEU A 81 3.918 11.998 -13.893 1.00 42.41 H new ATOM 0 HG LEU A 81 5.813 13.249 -12.476 1.00 21.30 H new ATOM 0 HD11 LEU A 81 6.707 11.738 -10.748 1.00 24.22 H new ATOM 0 HD12 LEU A 81 5.089 12.345 -10.321 1.00 24.22 H new ATOM 0 HD13 LEU A 81 5.284 10.687 -10.937 1.00 24.22 H new ATOM 0 HD21 LEU A 81 7.338 11.420 -13.111 1.00 61.53 H new ATOM 0 HD22 LEU A 81 5.939 10.357 -13.392 1.00 61.53 H new ATOM 0 HD23 LEU A 81 6.181 11.796 -14.410 1.00 61.53 H new ATOM 1269 N TYR A 82 3.397 13.849 -10.123 1.00 33.21 N ATOM 1270 CA TYR A 82 3.925 14.480 -8.920 1.00 1.34 C ATOM 1271 C TYR A 82 4.641 13.461 -8.039 1.00 23.00 C ATOM 1272 O TYR A 82 4.088 12.412 -7.708 1.00 52.14 O ATOM 1273 CB TYR A 82 2.797 15.148 -8.132 1.00 1.53 C ATOM 1274 CG TYR A 82 2.339 16.462 -8.725 1.00 61.52 C ATOM 1275 CD1 TYR A 82 1.671 16.500 -9.943 1.00 45.33 C ATOM 1276 CD2 TYR A 82 2.575 17.663 -8.069 1.00 14.20 C ATOM 1277 CE1 TYR A 82 1.252 17.698 -10.490 1.00 33.50 C ATOM 1278 CE2 TYR A 82 2.157 18.865 -8.607 1.00 62.14 C ATOM 1279 CZ TYR A 82 1.496 18.877 -9.818 1.00 64.00 C ATOM 1280 OH TYR A 82 1.080 20.072 -10.358 1.00 42.14 O ATOM 0 H TYR A 82 2.689 13.136 -9.949 1.00 33.21 H new ATOM 0 HA TYR A 82 4.645 15.239 -9.225 1.00 1.34 H new ATOM 0 HB2 TYR A 82 1.948 14.467 -8.081 1.00 1.53 H new ATOM 0 HB3 TYR A 82 3.131 15.318 -7.109 1.00 1.53 H new ATOM 0 HD1 TYR A 82 1.476 15.578 -10.471 1.00 45.33 H new ATOM 0 HD2 TYR A 82 3.094 17.657 -7.122 1.00 14.20 H new ATOM 0 HE1 TYR A 82 0.736 17.711 -11.439 1.00 33.50 H new ATOM 0 HE2 TYR A 82 2.347 19.790 -8.083 1.00 62.14 H new ATOM 0 HH TYR A 82 1.329 20.806 -9.759 1.00 42.14 H new ATOM 1290 N ARG A 83 5.876 13.778 -7.662 1.00 73.02 N ATOM 1291 CA ARG A 83 6.669 12.891 -6.820 1.00 62.34 C ATOM 1292 C ARG A 83 6.847 13.481 -5.424 1.00 73.34 C ATOM 1293 O ARG A 83 7.711 14.328 -5.203 1.00 54.14 O ATOM 1294 CB ARG A 83 8.037 12.638 -7.457 1.00 22.34 C ATOM 1295 CG ARG A 83 8.506 11.196 -7.340 1.00 53.54 C ATOM 1296 CD ARG A 83 9.265 10.960 -6.044 1.00 42.33 C ATOM 1297 NE ARG A 83 10.709 11.090 -6.224 1.00 54.33 N ATOM 1298 CZ ARG A 83 11.599 10.738 -5.303 1.00 73.45 C ATOM 1299 NH1 ARG A 83 11.195 10.236 -4.145 1.00 22.35 N ATOM 1300 NH2 ARG A 83 12.896 10.886 -5.541 1.00 53.33 N ATOM 0 H ARG A 83 6.348 14.642 -7.927 1.00 73.02 H new ATOM 0 HA ARG A 83 6.137 11.944 -6.730 1.00 62.34 H new ATOM 0 HB2 ARG A 83 7.994 12.913 -8.511 1.00 22.34 H new ATOM 0 HB3 ARG A 83 8.773 13.290 -6.987 1.00 22.34 H new ATOM 0 HG2 ARG A 83 7.646 10.528 -7.386 1.00 53.54 H new ATOM 0 HG3 ARG A 83 9.146 10.951 -8.187 1.00 53.54 H new ATOM 0 HD2 ARG A 83 8.928 11.673 -5.291 1.00 42.33 H new ATOM 0 HD3 ARG A 83 9.035 9.964 -5.665 1.00 42.33 H new ATOM 0 HE ARG A 83 11.053 11.472 -7.105 1.00 54.33 H new ATOM 0 HH11 ARG A 83 10.199 10.119 -3.960 1.00 22.35 H new ATOM 0 HH12 ARG A 83 11.880 9.966 -3.439 1.00 22.35 H new ATOM 0 HH21 ARG A 83 13.210 11.270 -6.432 1.00 53.33 H new ATOM 0 HH22 ARG A 83 13.579 10.615 -4.833 1.00 53.33 H new ATOM 1314 N ASN A 84 6.022 13.026 -4.486 1.00 41.33 N ATOM 1315 CA ASN A 84 6.087 13.510 -3.112 1.00 23.21 C ATOM 1316 C ASN A 84 5.679 14.978 -3.032 1.00 31.42 C ATOM 1317 O ASN A 84 6.383 15.797 -2.444 1.00 12.54 O ATOM 1318 CB ASN A 84 7.500 13.331 -2.553 1.00 21.33 C ATOM 1319 CG ASN A 84 7.501 13.059 -1.061 1.00 22.32 C ATOM 1320 OD1 ASN A 84 7.071 11.996 -0.612 1.00 14.30 O ATOM 1321 ND2 ASN A 84 7.986 14.021 -0.285 1.00 25.35 N ATOM 0 H ASN A 84 5.301 12.324 -4.652 1.00 41.33 H new ATOM 0 HA ASN A 84 5.389 12.924 -2.514 1.00 23.21 H new ATOM 0 HB2 ASN A 84 7.991 12.507 -3.070 1.00 21.33 H new ATOM 0 HB3 ASN A 84 8.085 14.228 -2.756 1.00 21.33 H new ATOM 0 HD21 ASN A 84 8.013 13.895 0.727 1.00 25.35 H new ATOM 0 HD22 ASN A 84 8.332 14.886 -0.701 1.00 25.35 H new ATOM 1328 N GLY A 85 4.535 15.302 -3.628 1.00 22.34 N ATOM 1329 CA GLY A 85 4.052 16.670 -3.612 1.00 2.02 C ATOM 1330 C GLY A 85 4.943 17.609 -4.401 1.00 23.41 C ATOM 1331 O GLY A 85 5.045 18.793 -4.081 1.00 73.34 O ATOM 0 H GLY A 85 3.935 14.641 -4.121 1.00 22.34 H new ATOM 0 HA2 GLY A 85 3.043 16.701 -4.023 1.00 2.02 H new ATOM 0 HA3 GLY A 85 3.987 17.017 -2.581 1.00 2.02 H new ATOM 1335 N GLN A 86 5.592 17.078 -5.433 1.00 13.40 N ATOM 1336 CA GLN A 86 6.481 17.877 -6.268 1.00 12.40 C ATOM 1337 C GLN A 86 6.256 17.577 -7.746 1.00 73.41 C ATOM 1338 O GLN A 86 6.287 16.420 -8.165 1.00 32.01 O ATOM 1339 CB GLN A 86 7.940 17.610 -5.897 1.00 65.43 C ATOM 1340 CG GLN A 86 8.498 18.587 -4.875 1.00 33.10 C ATOM 1341 CD GLN A 86 9.927 18.269 -4.483 1.00 2.14 C ATOM 1342 OE1 GLN A 86 10.861 18.972 -4.871 1.00 74.11 O ATOM 1343 NE2 GLN A 86 10.106 17.205 -3.708 1.00 2.50 N ATOM 0 H GLN A 86 5.519 16.099 -5.710 1.00 13.40 H new ATOM 0 HA GLN A 86 6.256 18.929 -6.092 1.00 12.40 H new ATOM 0 HB2 GLN A 86 8.026 16.597 -5.503 1.00 65.43 H new ATOM 0 HB3 GLN A 86 8.549 17.654 -6.800 1.00 65.43 H new ATOM 0 HG2 GLN A 86 8.453 19.597 -5.282 1.00 33.10 H new ATOM 0 HG3 GLN A 86 7.870 18.574 -3.985 1.00 33.10 H new ATOM 0 HE21 GLN A 86 9.304 16.651 -3.410 1.00 2.50 H new ATOM 0 HE22 GLN A 86 11.046 16.943 -3.411 1.00 2.50 H new ATOM 1352 N GLU A 87 6.029 18.626 -8.531 1.00 31.53 N ATOM 1353 CA GLU A 87 5.797 18.472 -9.962 1.00 64.02 C ATOM 1354 C GLU A 87 7.112 18.254 -10.706 1.00 21.14 C ATOM 1355 O GLU A 87 7.950 19.152 -10.784 1.00 41.35 O ATOM 1356 CB GLU A 87 5.081 19.704 -10.521 1.00 23.55 C ATOM 1357 CG GLU A 87 5.779 21.013 -10.194 1.00 52.30 C ATOM 1358 CD GLU A 87 4.852 22.021 -9.541 1.00 24.41 C ATOM 1359 OE1 GLU A 87 4.618 21.905 -8.320 1.00 1.44 O ATOM 1360 OE2 GLU A 87 4.362 22.923 -10.250 1.00 53.44 O ATOM 0 H GLU A 87 6.001 19.590 -8.200 1.00 31.53 H new ATOM 0 HA GLU A 87 5.166 17.596 -10.109 1.00 64.02 H new ATOM 0 HB2 GLU A 87 4.999 19.606 -11.603 1.00 23.55 H new ATOM 0 HB3 GLU A 87 4.066 19.735 -10.126 1.00 23.55 H new ATOM 0 HG2 GLU A 87 6.621 20.816 -9.530 1.00 52.30 H new ATOM 0 HG3 GLU A 87 6.188 21.441 -11.109 1.00 52.30 H new ATOM 1367 N VAL A 88 7.286 17.053 -11.249 1.00 54.32 N ATOM 1368 CA VAL A 88 8.497 16.716 -11.987 1.00 22.02 C ATOM 1369 C VAL A 88 8.458 17.288 -13.399 1.00 50.33 C ATOM 1370 O VAL A 88 9.242 18.173 -13.744 1.00 32.04 O ATOM 1371 CB VAL A 88 8.699 15.191 -12.068 1.00 13.11 C ATOM 1372 CG1 VAL A 88 10.037 14.863 -12.712 1.00 71.31 C ATOM 1373 CG2 VAL A 88 8.596 14.566 -10.685 1.00 11.32 C ATOM 0 H VAL A 88 6.603 16.297 -11.191 1.00 54.32 H new ATOM 0 HA VAL A 88 9.332 17.157 -11.443 1.00 22.02 H new ATOM 0 HB VAL A 88 7.910 14.770 -12.691 1.00 13.11 H new ATOM 0 HG11 VAL A 88 10.162 13.781 -12.761 1.00 71.31 H new ATOM 0 HG12 VAL A 88 10.067 15.277 -13.720 1.00 71.31 H new ATOM 0 HG13 VAL A 88 10.842 15.295 -12.118 1.00 71.31 H new ATOM 0 HG21 VAL A 88 8.741 13.488 -10.761 1.00 11.32 H new ATOM 0 HG22 VAL A 88 9.362 14.990 -10.036 1.00 11.32 H new ATOM 0 HG23 VAL A 88 7.611 14.771 -10.266 1.00 11.32 H new ATOM 1383 N ARG A 89 7.540 16.778 -14.213 1.00 71.34 N ATOM 1384 CA ARG A 89 7.399 17.238 -15.590 1.00 34.54 C ATOM 1385 C ARG A 89 5.932 17.483 -15.933 1.00 2.32 C ATOM 1386 O ARG A 89 5.037 16.880 -15.342 1.00 14.14 O ATOM 1387 CB ARG A 89 7.995 16.212 -16.556 1.00 53.41 C ATOM 1388 CG ARG A 89 9.352 16.615 -17.110 1.00 32.32 C ATOM 1389 CD ARG A 89 10.474 16.261 -16.146 1.00 53.01 C ATOM 1390 NE ARG A 89 11.791 16.527 -16.718 1.00 71.43 N ATOM 1391 CZ ARG A 89 12.895 16.655 -15.992 1.00 5.23 C ATOM 1392 NH1 ARG A 89 12.842 16.543 -14.672 1.00 35.53 N ATOM 1393 NH2 ARG A 89 14.057 16.896 -16.586 1.00 3.35 N ATOM 0 H ARG A 89 6.883 16.046 -13.943 1.00 71.34 H new ATOM 0 HA ARG A 89 7.940 18.179 -15.690 1.00 34.54 H new ATOM 0 HB2 ARG A 89 8.091 15.255 -16.043 1.00 53.41 H new ATOM 0 HB3 ARG A 89 7.304 16.061 -17.385 1.00 53.41 H new ATOM 0 HG2 ARG A 89 9.520 16.116 -18.064 1.00 32.32 H new ATOM 0 HG3 ARG A 89 9.363 17.687 -17.305 1.00 32.32 H new ATOM 0 HD2 ARG A 89 10.356 16.834 -15.226 1.00 53.01 H new ATOM 0 HD3 ARG A 89 10.402 15.207 -15.877 1.00 53.01 H new ATOM 0 HE ARG A 89 11.867 16.620 -17.731 1.00 71.43 H new ATOM 0 HH11 ARG A 89 11.951 16.358 -14.211 1.00 35.53 H new ATOM 0 HH12 ARG A 89 13.692 16.642 -14.117 1.00 35.53 H new ATOM 0 HH21 ARG A 89 14.102 16.983 -17.601 1.00 3.35 H new ATOM 0 HH22 ARG A 89 14.905 16.994 -16.027 1.00 3.35 H new ATOM 1407 N ARG A 90 5.695 18.373 -16.891 1.00 43.21 N ATOM 1408 CA ARG A 90 4.338 18.700 -17.312 1.00 1.14 C ATOM 1409 C ARG A 90 4.333 19.297 -18.716 1.00 31.30 C ATOM 1410 O ARG A 90 5.130 20.182 -19.028 1.00 75.32 O ATOM 1411 CB ARG A 90 3.699 19.681 -16.327 1.00 34.31 C ATOM 1412 CG ARG A 90 2.340 20.194 -16.774 1.00 75.42 C ATOM 1413 CD ARG A 90 2.338 21.706 -16.928 1.00 42.45 C ATOM 1414 NE ARG A 90 2.105 22.386 -15.657 1.00 54.01 N ATOM 1415 CZ ARG A 90 2.409 23.660 -15.438 1.00 42.31 C ATOM 1416 NH1 ARG A 90 2.956 24.390 -16.401 1.00 22.52 N ATOM 1417 NH2 ARG A 90 2.166 24.208 -14.254 1.00 61.21 N ATOM 0 H ARG A 90 6.425 18.881 -17.390 1.00 43.21 H new ATOM 0 HA ARG A 90 3.756 17.778 -17.326 1.00 1.14 H new ATOM 0 HB2 ARG A 90 3.593 19.193 -15.358 1.00 34.31 H new ATOM 0 HB3 ARG A 90 4.369 20.529 -16.185 1.00 34.31 H new ATOM 0 HG2 ARG A 90 2.069 19.730 -17.723 1.00 75.42 H new ATOM 0 HG3 ARG A 90 1.582 19.900 -16.048 1.00 75.42 H new ATOM 0 HD2 ARG A 90 3.293 22.029 -17.342 1.00 42.45 H new ATOM 0 HD3 ARG A 90 1.567 21.997 -17.641 1.00 42.45 H new ATOM 0 HE ARG A 90 1.686 21.853 -14.895 1.00 54.01 H new ATOM 0 HH11 ARG A 90 3.144 23.973 -17.313 1.00 22.52 H new ATOM 0 HH12 ARG A 90 3.188 25.368 -16.230 1.00 22.52 H new ATOM 0 HH21 ARG A 90 1.745 23.650 -13.511 1.00 61.21 H new ATOM 0 HH22 ARG A 90 2.400 25.187 -14.087 1.00 61.21 H new ATOM 1431 N SER A 91 3.430 18.805 -19.559 1.00 1.42 N ATOM 1432 CA SER A 91 3.324 19.287 -20.931 1.00 71.32 C ATOM 1433 C SER A 91 1.988 18.882 -21.547 1.00 62.31 C ATOM 1434 O SER A 91 1.611 17.710 -21.522 1.00 33.21 O ATOM 1435 CB SER A 91 4.475 18.739 -21.777 1.00 23.24 C ATOM 1436 OG SER A 91 5.261 19.790 -22.311 1.00 2.25 O ATOM 0 H SER A 91 2.762 18.074 -19.316 1.00 1.42 H new ATOM 0 HA SER A 91 3.382 20.375 -20.913 1.00 71.32 H new ATOM 0 HB2 SER A 91 5.100 18.087 -21.167 1.00 23.24 H new ATOM 0 HB3 SER A 91 4.076 18.130 -22.589 1.00 23.24 H new ATOM 0 HG SER A 91 5.991 19.413 -22.846 1.00 2.25 H new ATOM 1442 N ILE A 92 1.278 19.859 -22.099 1.00 52.42 N ATOM 1443 CA ILE A 92 -0.015 19.606 -22.723 1.00 30.54 C ATOM 1444 C ILE A 92 -0.013 20.035 -24.186 1.00 35.51 C ATOM 1445 O ILE A 92 0.614 21.027 -24.552 1.00 42.21 O ATOM 1446 CB ILE A 92 -1.150 20.341 -21.985 1.00 63.30 C ATOM 1447 CG1 ILE A 92 -2.511 19.894 -22.523 1.00 24.21 C ATOM 1448 CG2 ILE A 92 -0.986 21.846 -22.128 1.00 50.40 C ATOM 1449 CD1 ILE A 92 -3.029 20.760 -23.650 1.00 20.33 C ATOM 0 H ILE A 92 1.576 20.834 -22.127 1.00 52.42 H new ATOM 0 HA ILE A 92 -0.190 18.532 -22.663 1.00 30.54 H new ATOM 0 HB ILE A 92 -1.099 20.088 -20.926 1.00 63.30 H new ATOM 0 HG12 ILE A 92 -2.434 18.864 -22.873 1.00 24.21 H new ATOM 0 HG13 ILE A 92 -3.235 19.901 -21.708 1.00 24.21 H new ATOM 0 HG21 ILE A 92 -1.795 22.352 -21.601 1.00 50.40 H new ATOM 0 HG22 ILE A 92 -0.030 22.150 -21.702 1.00 50.40 H new ATOM 0 HG23 ILE A 92 -1.015 22.117 -23.184 1.00 50.40 H new ATOM 0 HD11 ILE A 92 -3.997 20.385 -23.982 1.00 20.33 H new ATOM 0 HD12 ILE A 92 -3.138 21.786 -23.300 1.00 20.33 H new ATOM 0 HD13 ILE A 92 -2.325 20.734 -24.482 1.00 20.33 H new ATOM 1461 N GLY A 93 -0.723 19.279 -25.019 1.00 41.33 N ATOM 1462 CA GLY A 93 -0.792 19.598 -26.433 1.00 44.24 C ATOM 1463 C GLY A 93 -0.799 18.360 -27.307 1.00 61.33 C ATOM 1464 O GLY A 93 -1.730 18.145 -28.083 1.00 11.45 O ATOM 0 H GLY A 93 -1.251 18.452 -24.740 1.00 41.33 H new ATOM 0 HA2 GLY A 93 -1.692 20.181 -26.627 1.00 44.24 H new ATOM 0 HA3 GLY A 93 0.058 20.225 -26.703 1.00 44.24 H new ATOM 1468 N GLU A 94 0.243 17.543 -27.183 1.00 41.52 N ATOM 1469 CA GLU A 94 0.353 16.321 -27.971 1.00 3.32 C ATOM 1470 C GLU A 94 1.535 15.477 -27.503 1.00 30.14 C ATOM 1471 O GLU A 94 1.359 14.458 -26.834 1.00 22.14 O ATOM 1472 CB GLU A 94 0.509 16.657 -29.455 1.00 51.25 C ATOM 1473 CG GLU A 94 1.099 18.034 -29.709 1.00 40.24 C ATOM 1474 CD GLU A 94 1.837 18.118 -31.031 1.00 60.14 C ATOM 1475 OE1 GLU A 94 2.805 18.903 -31.121 1.00 75.43 O ATOM 1476 OE2 GLU A 94 1.447 17.400 -31.976 1.00 24.34 O ATOM 0 H GLU A 94 1.022 17.705 -26.545 1.00 41.52 H new ATOM 0 HA GLU A 94 -0.562 15.745 -27.830 1.00 3.32 H new ATOM 0 HB2 GLU A 94 1.145 15.906 -29.924 1.00 51.25 H new ATOM 0 HB3 GLU A 94 -0.466 16.594 -29.937 1.00 51.25 H new ATOM 0 HG2 GLU A 94 0.300 18.775 -29.695 1.00 40.24 H new ATOM 0 HG3 GLU A 94 1.783 18.287 -28.899 1.00 40.24 H new ATOM 1483 N THR A 95 2.741 15.908 -27.859 1.00 61.25 N ATOM 1484 CA THR A 95 3.952 15.192 -27.478 1.00 40.04 C ATOM 1485 C THR A 95 5.140 16.141 -27.367 1.00 53.22 C ATOM 1486 O THR A 95 5.259 17.094 -28.137 1.00 63.03 O ATOM 1487 CB THR A 95 4.290 14.081 -28.491 1.00 1.25 C ATOM 1488 OG1 THR A 95 3.092 13.602 -29.110 1.00 74.05 O ATOM 1489 CG2 THR A 95 5.010 12.928 -27.808 1.00 1.01 C ATOM 0 H THR A 95 2.905 16.750 -28.411 1.00 61.25 H new ATOM 0 HA THR A 95 3.759 14.740 -26.505 1.00 40.04 H new ATOM 0 HB THR A 95 4.948 14.501 -29.252 1.00 1.25 H new ATOM 0 HG1 THR A 95 3.315 12.897 -29.753 1.00 74.05 H new ATOM 0 HG21 THR A 95 5.239 12.156 -28.542 1.00 1.01 H new ATOM 0 HG22 THR A 95 5.936 13.290 -27.362 1.00 1.01 H new ATOM 0 HG23 THR A 95 4.372 12.511 -27.029 1.00 1.01 H new ATOM 1497 N SER A 96 6.016 15.874 -26.404 1.00 44.44 N ATOM 1498 CA SER A 96 7.194 16.707 -26.191 1.00 1.33 C ATOM 1499 C SER A 96 8.196 16.008 -25.277 1.00 34.14 C ATOM 1500 O SER A 96 7.870 15.052 -24.572 1.00 53.30 O ATOM 1501 CB SER A 96 6.790 18.054 -25.587 1.00 72.15 C ATOM 1502 OG SER A 96 5.424 18.055 -25.211 1.00 73.50 O ATOM 0 H SER A 96 5.933 15.088 -25.759 1.00 44.44 H new ATOM 0 HA SER A 96 7.667 16.877 -27.158 1.00 1.33 H new ATOM 0 HB2 SER A 96 7.410 18.266 -24.716 1.00 72.15 H new ATOM 0 HB3 SER A 96 6.972 18.849 -26.310 1.00 72.15 H new ATOM 0 HG SER A 96 5.191 18.926 -24.827 1.00 73.50 H new ATOM 1508 N PRO A 97 9.445 16.495 -25.288 1.00 24.45 N ATOM 1509 CA PRO A 97 10.521 15.932 -24.465 1.00 50.43 C ATOM 1510 C PRO A 97 10.321 16.211 -22.980 1.00 32.25 C ATOM 1511 O PRO A 97 10.892 15.530 -22.128 1.00 63.21 O ATOM 1512 CB PRO A 97 11.772 16.649 -24.980 1.00 21.23 C ATOM 1513 CG PRO A 97 11.268 17.932 -25.545 1.00 65.21 C ATOM 1514 CD PRO A 97 9.905 17.631 -26.103 1.00 13.51 C ATOM 0 HA PRO A 97 10.571 14.846 -24.546 1.00 50.43 H new ATOM 0 HB2 PRO A 97 12.487 16.824 -24.176 1.00 21.23 H new ATOM 0 HB3 PRO A 97 12.284 16.057 -25.738 1.00 21.23 H new ATOM 0 HG2 PRO A 97 11.213 18.702 -24.776 1.00 65.21 H new ATOM 0 HG3 PRO A 97 11.935 18.305 -26.323 1.00 65.21 H new ATOM 0 HD2 PRO A 97 9.236 18.487 -26.013 1.00 13.51 H new ATOM 0 HD3 PRO A 97 9.952 17.373 -27.161 1.00 13.51 H new ATOM 1522 N SER A 98 9.505 17.215 -22.675 1.00 5.50 N ATOM 1523 CA SER A 98 9.233 17.586 -21.291 1.00 74.12 C ATOM 1524 C SER A 98 8.020 16.831 -20.756 1.00 15.10 C ATOM 1525 O SER A 98 7.820 16.733 -19.546 1.00 0.54 O ATOM 1526 CB SER A 98 8.998 19.094 -21.181 1.00 64.34 C ATOM 1527 OG SER A 98 9.858 19.674 -20.216 1.00 12.24 O ATOM 0 H SER A 98 9.021 17.786 -23.368 1.00 5.50 H new ATOM 0 HA SER A 98 10.102 17.317 -20.691 1.00 74.12 H new ATOM 0 HB2 SER A 98 9.165 19.563 -22.151 1.00 64.34 H new ATOM 0 HB3 SER A 98 7.960 19.285 -20.909 1.00 64.34 H new ATOM 0 HG SER A 98 9.690 20.638 -20.165 1.00 12.24 H new ATOM 1533 N ALA A 99 7.212 16.299 -21.668 1.00 21.14 N ATOM 1534 CA ALA A 99 6.020 15.551 -21.289 1.00 13.13 C ATOM 1535 C ALA A 99 6.347 14.081 -21.049 1.00 54.03 C ATOM 1536 O ALA A 99 5.803 13.454 -20.139 1.00 63.31 O ATOM 1537 CB ALA A 99 4.948 15.688 -22.360 1.00 63.13 C ATOM 0 H ALA A 99 7.362 16.372 -22.674 1.00 21.14 H new ATOM 0 HA ALA A 99 5.641 15.968 -20.356 1.00 13.13 H new ATOM 0 HB1 ALA A 99 4.063 15.124 -22.064 1.00 63.13 H new ATOM 0 HB2 ALA A 99 4.685 16.739 -22.479 1.00 63.13 H new ATOM 0 HB3 ALA A 99 5.326 15.299 -23.305 1.00 63.13 H new ATOM 1543 N LEU A 100 7.236 13.536 -21.872 1.00 4.33 N ATOM 1544 CA LEU A 100 7.636 12.138 -21.750 1.00 14.43 C ATOM 1545 C LEU A 100 8.711 11.970 -20.681 1.00 40.42 C ATOM 1546 O LEU A 100 8.909 10.877 -20.152 1.00 62.33 O ATOM 1547 CB LEU A 100 8.148 11.615 -23.092 1.00 45.15 C ATOM 1548 CG LEU A 100 8.868 10.266 -23.057 1.00 13.24 C ATOM 1549 CD1 LEU A 100 7.885 9.145 -22.757 1.00 31.01 C ATOM 1550 CD2 LEU A 100 9.587 10.010 -24.373 1.00 74.12 C ATOM 0 H LEU A 100 7.694 14.041 -22.631 1.00 4.33 H new ATOM 0 HA LEU A 100 6.761 11.560 -21.452 1.00 14.43 H new ATOM 0 HB2 LEU A 100 7.302 11.535 -23.775 1.00 45.15 H new ATOM 0 HB3 LEU A 100 8.828 12.356 -23.512 1.00 45.15 H new ATOM 0 HG LEU A 100 9.611 10.293 -22.260 1.00 13.24 H new ATOM 0 HD11 LEU A 100 8.415 8.193 -22.736 1.00 31.01 H new ATOM 0 HD12 LEU A 100 7.417 9.321 -21.789 1.00 31.01 H new ATOM 0 HD13 LEU A 100 7.118 9.117 -23.531 1.00 31.01 H new ATOM 0 HD21 LEU A 100 10.093 9.046 -24.329 1.00 74.12 H new ATOM 0 HD22 LEU A 100 8.863 10.003 -25.188 1.00 74.12 H new ATOM 0 HD23 LEU A 100 10.320 10.798 -24.546 1.00 74.12 H new ATOM 1562 N SER A 101 9.401 13.062 -20.367 1.00 64.10 N ATOM 1563 CA SER A 101 10.458 13.035 -19.362 1.00 40.34 C ATOM 1564 C SER A 101 9.921 12.541 -18.022 1.00 43.15 C ATOM 1565 O SER A 101 10.683 12.103 -17.160 1.00 35.12 O ATOM 1566 CB SER A 101 11.069 14.428 -19.197 1.00 43.04 C ATOM 1567 OG SER A 101 12.301 14.530 -19.891 1.00 54.03 O ATOM 0 H SER A 101 9.247 13.976 -20.794 1.00 64.10 H new ATOM 0 HA SER A 101 11.230 12.345 -19.701 1.00 40.34 H new ATOM 0 HB2 SER A 101 10.374 15.180 -19.571 1.00 43.04 H new ATOM 0 HB3 SER A 101 11.226 14.637 -18.139 1.00 43.04 H new ATOM 0 HG SER A 101 12.141 14.880 -20.792 1.00 54.03 H new ATOM 1573 N ASP A 102 8.605 12.615 -17.856 1.00 4.30 N ATOM 1574 CA ASP A 102 7.965 12.175 -16.622 1.00 72.01 C ATOM 1575 C ASP A 102 7.636 10.687 -16.682 1.00 33.41 C ATOM 1576 O ASP A 102 7.515 10.025 -15.651 1.00 23.14 O ATOM 1577 CB ASP A 102 6.691 12.982 -16.368 1.00 33.13 C ATOM 1578 CG ASP A 102 5.450 12.285 -16.890 1.00 71.21 C ATOM 1579 OD1 ASP A 102 4.504 12.085 -16.099 1.00 70.13 O ATOM 1580 OD2 ASP A 102 5.424 11.940 -18.090 1.00 24.12 O ATOM 0 H ASP A 102 7.961 12.975 -18.560 1.00 4.30 H new ATOM 0 HA ASP A 102 8.661 12.342 -15.800 1.00 72.01 H new ATOM 0 HB2 ASP A 102 6.583 13.157 -15.298 1.00 33.13 H new ATOM 0 HB3 ASP A 102 6.782 13.959 -16.843 1.00 33.13 H new ATOM 1585 N PHE A 103 7.490 10.166 -17.896 1.00 42.30 N ATOM 1586 CA PHE A 103 7.173 8.756 -18.091 1.00 13.45 C ATOM 1587 C PHE A 103 8.444 7.914 -18.140 1.00 43.32 C ATOM 1588 O PHE A 103 8.426 6.722 -17.830 1.00 52.34 O ATOM 1589 CB PHE A 103 6.371 8.565 -19.379 1.00 55.54 C ATOM 1590 CG PHE A 103 5.090 7.807 -19.181 1.00 74.54 C ATOM 1591 CD1 PHE A 103 5.109 6.482 -18.776 1.00 24.22 C ATOM 1592 CD2 PHE A 103 3.866 8.418 -19.401 1.00 73.35 C ATOM 1593 CE1 PHE A 103 3.932 5.781 -18.592 1.00 65.43 C ATOM 1594 CE2 PHE A 103 2.686 7.722 -19.219 1.00 73.32 C ATOM 1595 CZ PHE A 103 2.719 6.401 -18.815 1.00 41.33 C ATOM 0 H PHE A 103 7.586 10.700 -18.760 1.00 42.30 H new ATOM 0 HA PHE A 103 6.572 8.425 -17.244 1.00 13.45 H new ATOM 0 HB2 PHE A 103 6.143 9.543 -19.804 1.00 55.54 H new ATOM 0 HB3 PHE A 103 6.988 8.037 -20.106 1.00 55.54 H new ATOM 0 HD1 PHE A 103 6.055 5.991 -18.602 1.00 24.22 H new ATOM 0 HD2 PHE A 103 3.834 9.450 -19.718 1.00 73.35 H new ATOM 0 HE1 PHE A 103 3.961 4.749 -18.274 1.00 65.43 H new ATOM 0 HE2 PHE A 103 1.738 8.210 -19.392 1.00 73.32 H new ATOM 0 HZ PHE A 103 1.798 5.855 -18.674 1.00 41.33 H new ATOM 1605 N LEU A 104 9.547 8.542 -18.532 1.00 43.24 N ATOM 1606 CA LEU A 104 10.829 7.852 -18.624 1.00 22.13 C ATOM 1607 C LEU A 104 11.659 8.075 -17.364 1.00 10.35 C ATOM 1608 O LEU A 104 12.665 7.401 -17.141 1.00 43.03 O ATOM 1609 CB LEU A 104 11.604 8.335 -19.851 1.00 25.31 C ATOM 1610 CG LEU A 104 12.165 9.755 -19.775 1.00 10.35 C ATOM 1611 CD1 LEU A 104 13.585 9.740 -19.232 1.00 5.24 C ATOM 1612 CD2 LEU A 104 12.122 10.420 -21.143 1.00 21.22 C ATOM 0 H LEU A 104 9.579 9.528 -18.791 1.00 43.24 H new ATOM 0 HA LEU A 104 10.633 6.784 -18.723 1.00 22.13 H new ATOM 0 HB2 LEU A 104 12.432 7.648 -20.027 1.00 25.31 H new ATOM 0 HB3 LEU A 104 10.947 8.271 -20.719 1.00 25.31 H new ATOM 0 HG LEU A 104 11.543 10.334 -19.092 1.00 10.35 H new ATOM 0 HD11 LEU A 104 13.967 10.760 -19.185 1.00 5.24 H new ATOM 0 HD12 LEU A 104 13.588 9.305 -18.232 1.00 5.24 H new ATOM 0 HD13 LEU A 104 14.219 9.144 -19.888 1.00 5.24 H new ATOM 0 HD21 LEU A 104 12.525 11.430 -21.069 1.00 21.22 H new ATOM 0 HD22 LEU A 104 12.719 9.841 -21.848 1.00 21.22 H new ATOM 0 HD23 LEU A 104 11.091 10.466 -21.493 1.00 21.22 H new ATOM 1624 N THR A 105 11.229 9.026 -16.539 1.00 24.41 N ATOM 1625 CA THR A 105 11.931 9.337 -15.300 1.00 44.54 C ATOM 1626 C THR A 105 10.993 9.257 -14.101 1.00 64.44 C ATOM 1627 O THR A 105 11.390 9.539 -12.971 1.00 2.22 O ATOM 1628 CB THR A 105 12.562 10.742 -15.350 1.00 62.25 C ATOM 1629 OG1 THR A 105 12.948 11.058 -16.693 1.00 31.02 O ATOM 1630 CG2 THR A 105 13.775 10.823 -14.436 1.00 65.14 C ATOM 0 H THR A 105 10.398 9.593 -16.707 1.00 24.41 H new ATOM 0 HA THR A 105 12.721 8.594 -15.190 1.00 44.54 H new ATOM 0 HB THR A 105 11.820 11.462 -15.007 1.00 62.25 H new ATOM 0 HG1 THR A 105 12.316 11.704 -17.072 1.00 31.02 H new ATOM 0 HG21 THR A 105 14.204 11.824 -14.488 1.00 65.14 H new ATOM 0 HG22 THR A 105 13.473 10.610 -13.411 1.00 65.14 H new ATOM 0 HG23 THR A 105 14.519 10.093 -14.754 1.00 65.14 H new ATOM 1638 N ARG A 106 9.748 8.869 -14.355 1.00 71.25 N ATOM 1639 CA ARG A 106 8.753 8.751 -13.296 1.00 42.31 C ATOM 1640 C ARG A 106 8.871 9.909 -12.309 1.00 24.44 C ATOM 1641 O ARG A 106 8.418 9.813 -11.168 1.00 72.21 O ATOM 1642 CB ARG A 106 8.916 7.420 -12.560 1.00 54.11 C ATOM 1643 CG ARG A 106 10.117 7.381 -11.630 1.00 1.21 C ATOM 1644 CD ARG A 106 10.135 6.109 -10.797 1.00 4.45 C ATOM 1645 NE ARG A 106 11.041 6.215 -9.656 1.00 2.42 N ATOM 1646 CZ ARG A 106 11.549 5.165 -9.020 1.00 53.22 C ATOM 1647 NH1 ARG A 106 11.241 3.937 -9.412 1.00 71.43 N ATOM 1648 NH2 ARG A 106 12.366 5.343 -7.990 1.00 63.24 N ATOM 0 H ARG A 106 9.404 8.631 -15.285 1.00 71.25 H new ATOM 0 HA ARG A 106 7.765 8.786 -13.754 1.00 42.31 H new ATOM 0 HB2 ARG A 106 8.013 7.221 -11.982 1.00 54.11 H new ATOM 0 HB3 ARG A 106 9.008 6.618 -13.293 1.00 54.11 H new ATOM 0 HG2 ARG A 106 11.034 7.447 -12.215 1.00 1.21 H new ATOM 0 HG3 ARG A 106 10.096 8.249 -10.971 1.00 1.21 H new ATOM 0 HD2 ARG A 106 9.127 5.894 -10.441 1.00 4.45 H new ATOM 0 HD3 ARG A 106 10.437 5.270 -11.423 1.00 4.45 H new ATOM 0 HE ARG A 106 11.298 7.147 -9.330 1.00 2.42 H new ATOM 0 HH11 ARG A 106 10.613 3.797 -10.203 1.00 71.43 H new ATOM 0 HH12 ARG A 106 11.632 3.132 -8.922 1.00 71.43 H new ATOM 0 HH21 ARG A 106 12.605 6.287 -7.686 1.00 63.24 H new ATOM 0 HH22 ARG A 106 12.755 4.536 -7.503 1.00 63.24 H new