USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 738 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 128 HIS : no HE2:sc= -0.254 X(o=-0.52,f=-0.52) USER MOD Set 1.2: A 157 ASN : amide:sc= -0.264 K(o=-0.52,f=-2.4!) USER MOD Set 2.1: A 107 CYS SG : rot -140:sc= 0.651 USER MOD Set 2.2: A 138 SER OG : rot 155:sc= 0.797 USER MOD Set 3.1: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 118 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Set 4.2: A 85 HIS : no HD1:sc= 0 K(o=0,f=-2.2) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0765 X(o=-0.077,f=-0.021) USER MOD Single : A 86 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.011) USER MOD Single : A 87 HIS : no HD1:sc=-0.00792 X(o=-0.0079,f=-0.0079) USER MOD Single : A 88 HIS : no HE2:sc= 0.275 K(o=0.28,f=-1.1) USER MOD Single : A 89 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.059) USER MOD Single : A 90 HIS : no HD1:sc= -0.0483 X(o=-0.048,f=-0.06) USER MOD Single : A 91 HIS : no HD1:sc= -0.0773 X(o=-0.077,f=-0.077) USER MOD Single : A 92 SER OG : rot -53:sc= 0.327 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc=-0.00634 K(o=-0.0063,f=-0.55) USER MOD Single : A 101 MET CE :methyl -170:sc= -0.135 (180deg=-0.206) USER MOD Single : A 106 TYR OH : rot -11:sc= 1.27 USER MOD Single : A 113 SER OG : rot 180:sc= -0.0251 USER MOD Single : A 116 THR OG1 : rot 28:sc= 0.843 USER MOD Single : A 120 GLN : amide:sc= -0.263 K(o=-0.26,f=-1.9!) USER MOD Single : A 129 ASN : amide:sc= 0.0276 K(o=0.028,f=-0.84) USER MOD Single : A 134 CYS SG : rot -21:sc= -0.114 USER MOD Single : A 145 SER OG : rot -170:sc= -0.0328 USER MOD Single : A 146 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.13) USER MOD Single : A 149 TYR OH : rot 161:sc= 0.0812 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0.00358 USER MOD Single : A 158 HIS : no HE2:sc= 0.766 K(o=0.77,f=-2.5!) USER MOD Single : A 160 SER OG : rot 180:sc= 0 USER MOD Single : A 163 SER OG : rot 150:sc= 0 USER MOD Single : A 164 TYR OH : rot -176:sc= 0.784 USER MOD Single : A 167 LYS NZ :NH3+ 156:sc= -0.125 (180deg=-0.414) USER MOD Single : A 176 GLN : amide:sc= -0.979 X(o=-0.98,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 80 15.172 -8.877 2.391 1.00 25.00 N ATOM 2 CA MET A 80 15.692 -9.629 3.561 1.00 25.00 C ATOM 3 C MET A 80 17.119 -10.145 3.375 1.00 25.00 C ATOM 4 O MET A 80 17.538 -10.554 2.310 1.00 25.00 O ATOM 5 CB MET A 80 14.719 -10.790 3.864 1.00 25.00 C ATOM 6 CG MET A 80 14.963 -11.382 5.267 1.00 25.00 C ATOM 7 SD MET A 80 13.781 -12.707 5.672 1.00 25.00 S ATOM 8 CE MET A 80 14.250 -13.059 7.399 1.00 25.00 C ATOM 0 HA MET A 80 15.747 -8.940 4.404 1.00 25.00 H new ATOM 0 HB2 MET A 80 13.692 -10.433 3.793 1.00 25.00 H new ATOM 0 HB3 MET A 80 14.838 -11.571 3.113 1.00 25.00 H new ATOM 0 HG2 MET A 80 15.978 -11.774 5.322 1.00 25.00 H new ATOM 0 HG3 MET A 80 14.887 -10.590 6.012 1.00 25.00 H new ATOM 0 HE1 MET A 80 13.616 -13.853 7.794 1.00 25.00 H new ATOM 0 HE2 MET A 80 15.292 -13.376 7.436 1.00 25.00 H new ATOM 0 HE3 MET A 80 14.123 -12.159 8.001 1.00 25.00 H new ATOM 18 N GLY A 81 17.908 -10.087 4.453 1.00 25.00 N ATOM 19 CA GLY A 81 19.300 -10.512 4.422 1.00 25.00 C ATOM 20 C GLY A 81 20.218 -9.358 4.075 1.00 25.00 C ATOM 21 O GLY A 81 19.766 -8.284 3.688 1.00 25.00 O ATOM 0 H GLY A 81 17.597 -9.746 5.363 1.00 25.00 H new ATOM 0 HA2 GLY A 81 19.579 -10.923 5.392 1.00 25.00 H new ATOM 0 HA3 GLY A 81 19.423 -11.311 3.690 1.00 25.00 H new ATOM 25 N HIS A 82 21.514 -9.572 4.230 1.00 25.00 N ATOM 26 CA HIS A 82 22.504 -8.521 4.002 1.00 25.00 C ATOM 27 C HIS A 82 23.215 -8.735 2.669 1.00 25.00 C ATOM 28 O HIS A 82 24.282 -9.322 2.610 1.00 25.00 O ATOM 29 CB HIS A 82 23.495 -8.504 5.167 1.00 25.00 C ATOM 30 CG HIS A 82 22.832 -8.370 6.503 1.00 25.00 C ATOM 31 ND1 HIS A 82 22.107 -7.275 6.905 1.00 25.00 N ATOM 32 CD2 HIS A 82 22.779 -9.232 7.556 1.00 25.00 C ATOM 33 CE1 HIS A 82 21.654 -7.505 8.134 1.00 25.00 C ATOM 34 NE2 HIS A 82 22.028 -8.688 8.575 1.00 25.00 N ATOM 0 H HIS A 82 21.911 -10.467 4.514 1.00 25.00 H new ATOM 0 HA HIS A 82 22.006 -7.553 3.952 1.00 25.00 H new ATOM 0 HB2 HIS A 82 24.082 -9.423 5.150 1.00 25.00 H new ATOM 0 HB3 HIS A 82 24.193 -7.678 5.030 1.00 25.00 H new ATOM 0 HD2 HIS A 82 23.256 -10.200 7.588 1.00 25.00 H new ATOM 0 HE1 HIS A 82 21.054 -6.808 8.700 1.00 25.00 H new ATOM 0 HE2 HIS A 82 21.809 -9.111 9.477 1.00 25.00 H new ATOM 42 N HIS A 83 22.578 -8.285 1.598 1.00 25.00 N ATOM 43 CA HIS A 83 23.091 -8.471 0.235 1.00 25.00 C ATOM 44 C HIS A 83 23.324 -7.124 -0.466 1.00 25.00 C ATOM 45 O HIS A 83 23.481 -7.058 -1.685 1.00 25.00 O ATOM 46 CB HIS A 83 22.084 -9.308 -0.559 1.00 25.00 C ATOM 47 CG HIS A 83 20.702 -8.732 -0.563 1.00 25.00 C ATOM 48 ND1 HIS A 83 19.676 -9.161 0.248 1.00 25.00 N ATOM 49 CD2 HIS A 83 20.165 -7.726 -1.306 1.00 25.00 C ATOM 50 CE1 HIS A 83 18.605 -8.425 -0.014 1.00 25.00 C ATOM 51 NE2 HIS A 83 18.844 -7.530 -0.951 1.00 25.00 N ATOM 0 H HIS A 83 21.692 -7.781 1.642 1.00 25.00 H new ATOM 0 HA HIS A 83 24.051 -8.984 0.287 1.00 25.00 H new ATOM 0 HB2 HIS A 83 22.433 -9.403 -1.587 1.00 25.00 H new ATOM 0 HB3 HIS A 83 22.049 -10.314 -0.140 1.00 25.00 H new ATOM 0 HD2 HIS A 83 20.693 -7.164 -2.062 1.00 25.00 H new ATOM 0 HE1 HIS A 83 17.652 -8.544 0.480 1.00 25.00 H new ATOM 0 HE2 HIS A 83 18.195 -6.842 -1.332 1.00 25.00 H new ATOM 59 N HIS A 84 23.298 -6.043 0.300 1.00 25.00 N ATOM 60 CA HIS A 84 23.453 -4.701 -0.262 1.00 25.00 C ATOM 61 C HIS A 84 24.927 -4.342 -0.484 1.00 25.00 C ATOM 62 O HIS A 84 25.563 -3.728 0.377 1.00 25.00 O ATOM 63 CB HIS A 84 22.782 -3.667 0.648 1.00 25.00 C ATOM 64 CG HIS A 84 22.799 -2.275 0.093 1.00 25.00 C ATOM 65 ND1 HIS A 84 23.793 -1.358 0.338 1.00 25.00 N ATOM 66 CD2 HIS A 84 21.916 -1.630 -0.716 1.00 25.00 C ATOM 67 CE1 HIS A 84 23.488 -0.233 -0.299 1.00 25.00 C ATOM 68 NE2 HIS A 84 22.358 -0.345 -0.968 1.00 25.00 N ATOM 0 H HIS A 84 23.171 -6.064 1.312 1.00 25.00 H new ATOM 0 HA HIS A 84 22.965 -4.691 -1.236 1.00 25.00 H new ATOM 0 HB2 HIS A 84 21.749 -3.966 0.823 1.00 25.00 H new ATOM 0 HB3 HIS A 84 23.283 -3.669 1.616 1.00 25.00 H new ATOM 0 HD2 HIS A 84 21.004 -2.059 -1.104 1.00 25.00 H new ATOM 0 HE1 HIS A 84 24.091 0.662 -0.272 1.00 25.00 H new ATOM 0 HE2 HIS A 84 21.907 0.364 -1.547 1.00 25.00 H new ATOM 76 N HIS A 85 25.436 -4.703 -1.659 1.00 25.00 N ATOM 77 CA HIS A 85 26.820 -4.429 -2.071 1.00 25.00 C ATOM 78 C HIS A 85 27.848 -5.029 -1.098 1.00 25.00 C ATOM 79 O HIS A 85 27.511 -5.850 -0.255 1.00 25.00 O ATOM 80 CB HIS A 85 27.053 -2.912 -2.250 1.00 25.00 C ATOM 81 CG HIS A 85 26.122 -2.273 -3.233 1.00 25.00 C ATOM 82 ND1 HIS A 85 24.917 -1.702 -2.906 1.00 25.00 N ATOM 83 CD2 HIS A 85 26.242 -2.098 -4.578 1.00 25.00 C ATOM 84 CE1 HIS A 85 24.369 -1.222 -4.017 1.00 25.00 C ATOM 85 NE2 HIS A 85 25.133 -1.439 -5.070 1.00 25.00 N ATOM 0 H HIS A 85 24.895 -5.202 -2.366 1.00 25.00 H new ATOM 0 HA HIS A 85 26.968 -4.918 -3.034 1.00 25.00 H new ATOM 0 HB2 HIS A 85 26.941 -2.420 -1.284 1.00 25.00 H new ATOM 0 HB3 HIS A 85 28.080 -2.747 -2.575 1.00 25.00 H new ATOM 0 HD2 HIS A 85 27.082 -2.427 -5.173 1.00 25.00 H new ATOM 0 HE1 HIS A 85 23.415 -0.716 -4.053 1.00 25.00 H new ATOM 0 HE2 HIS A 85 24.945 -1.177 -6.038 1.00 25.00 H new ATOM 93 N HIS A 86 29.109 -4.646 -1.266 1.00 25.00 N ATOM 94 CA HIS A 86 30.197 -5.151 -0.420 1.00 25.00 C ATOM 95 C HIS A 86 31.172 -4.037 -0.049 1.00 25.00 C ATOM 96 O HIS A 86 31.437 -3.803 1.117 1.00 25.00 O ATOM 97 CB HIS A 86 30.963 -6.267 -1.146 1.00 25.00 C ATOM 98 CG HIS A 86 30.131 -7.479 -1.437 1.00 25.00 C ATOM 99 ND1 HIS A 86 29.686 -7.834 -2.688 1.00 25.00 N ATOM 100 CD2 HIS A 86 29.656 -8.446 -0.605 1.00 25.00 C ATOM 101 CE1 HIS A 86 28.990 -8.962 -2.575 1.00 25.00 C ATOM 102 NE2 HIS A 86 28.942 -9.381 -1.329 1.00 25.00 N ATOM 0 H HIS A 86 29.409 -3.985 -1.982 1.00 25.00 H new ATOM 0 HA HIS A 86 29.748 -5.544 0.492 1.00 25.00 H new ATOM 0 HB2 HIS A 86 31.357 -5.874 -2.083 1.00 25.00 H new ATOM 0 HB3 HIS A 86 31.819 -6.562 -0.539 1.00 25.00 H new ATOM 0 HD2 HIS A 86 29.814 -8.478 0.463 1.00 25.00 H new ATOM 0 HE1 HIS A 86 28.522 -9.471 -3.404 1.00 25.00 H new ATOM 0 HE2 HIS A 86 28.477 -10.217 -0.974 1.00 25.00 H new ATOM 110 N HIS A 87 31.700 -3.352 -1.058 1.00 25.00 N ATOM 111 CA HIS A 87 32.674 -2.276 -0.837 1.00 25.00 C ATOM 112 C HIS A 87 32.412 -1.064 -1.725 1.00 25.00 C ATOM 113 O HIS A 87 32.270 0.043 -1.235 1.00 25.00 O ATOM 114 CB HIS A 87 34.092 -2.790 -1.113 1.00 25.00 C ATOM 115 CG HIS A 87 34.536 -3.863 -0.168 1.00 25.00 C ATOM 116 ND1 HIS A 87 34.766 -5.170 -0.525 1.00 25.00 N ATOM 117 CD2 HIS A 87 34.810 -3.809 1.165 1.00 25.00 C ATOM 118 CE1 HIS A 87 35.148 -5.836 0.561 1.00 25.00 C ATOM 119 NE2 HIS A 87 35.190 -5.056 1.620 1.00 25.00 N ATOM 0 H HIS A 87 31.473 -3.519 -2.038 1.00 25.00 H new ATOM 0 HA HIS A 87 32.572 -1.965 0.203 1.00 25.00 H new ATOM 0 HB2 HIS A 87 34.138 -3.173 -2.132 1.00 25.00 H new ATOM 0 HB3 HIS A 87 34.790 -1.955 -1.055 1.00 25.00 H new ATOM 0 HD2 HIS A 87 34.740 -2.921 1.776 1.00 25.00 H new ATOM 0 HE1 HIS A 87 35.394 -6.888 0.572 1.00 25.00 H new ATOM 0 HE2 HIS A 87 35.448 -5.316 2.572 1.00 25.00 H new ATOM 127 N HIS A 88 32.364 -1.297 -3.037 1.00 25.00 N ATOM 128 CA HIS A 88 32.167 -0.232 -4.038 1.00 25.00 C ATOM 129 C HIS A 88 33.298 0.821 -3.968 1.00 25.00 C ATOM 130 O HIS A 88 33.124 1.983 -4.338 1.00 25.00 O ATOM 131 CB HIS A 88 30.772 0.407 -3.880 1.00 25.00 C ATOM 132 CG HIS A 88 30.190 0.915 -5.163 1.00 25.00 C ATOM 133 ND1 HIS A 88 30.729 1.932 -5.905 1.00 25.00 N ATOM 134 CD2 HIS A 88 29.073 0.536 -5.844 1.00 25.00 C ATOM 135 CE1 HIS A 88 29.961 2.125 -6.972 1.00 25.00 C ATOM 136 NE2 HIS A 88 28.937 1.298 -6.987 1.00 25.00 N ATOM 0 H HIS A 88 32.460 -2.228 -3.442 1.00 25.00 H new ATOM 0 HA HIS A 88 32.215 -0.680 -5.031 1.00 25.00 H new ATOM 0 HB2 HIS A 88 30.092 -0.329 -3.450 1.00 25.00 H new ATOM 0 HB3 HIS A 88 30.839 1.232 -3.171 1.00 25.00 H new ATOM 0 HD1 HIS A 88 31.576 2.453 -5.677 1.00 25.00 H new ATOM 0 HD2 HIS A 88 28.394 -0.245 -5.535 1.00 25.00 H new ATOM 0 HE1 HIS A 88 30.153 2.868 -7.732 1.00 25.00 H new ATOM 144 N HIS A 89 34.467 0.395 -3.509 1.00 25.00 N ATOM 145 CA HIS A 89 35.636 1.270 -3.441 1.00 25.00 C ATOM 146 C HIS A 89 36.389 1.202 -4.766 1.00 25.00 C ATOM 147 O HIS A 89 36.197 0.273 -5.549 1.00 25.00 O ATOM 148 CB HIS A 89 36.599 0.817 -2.332 1.00 25.00 C ATOM 149 CG HIS A 89 35.977 0.734 -0.971 1.00 25.00 C ATOM 150 ND1 HIS A 89 34.885 1.458 -0.560 1.00 25.00 N ATOM 151 CD2 HIS A 89 36.329 -0.010 0.113 1.00 25.00 C ATOM 152 CE1 HIS A 89 34.612 1.125 0.700 1.00 25.00 C ATOM 153 NE2 HIS A 89 35.465 0.232 1.159 1.00 25.00 N ATOM 0 H HIS A 89 34.634 -0.555 -3.176 1.00 25.00 H new ATOM 0 HA HIS A 89 35.290 2.282 -3.232 1.00 25.00 H new ATOM 0 HB2 HIS A 89 37.003 -0.161 -2.594 1.00 25.00 H new ATOM 0 HB3 HIS A 89 37.440 1.509 -2.293 1.00 25.00 H new ATOM 0 HD2 HIS A 89 37.165 -0.692 0.148 1.00 25.00 H new ATOM 0 HE1 HIS A 89 33.794 1.535 1.274 1.00 25.00 H new ATOM 0 HE2 HIS A 89 35.482 -0.189 2.088 1.00 25.00 H new ATOM 161 N HIS A 90 37.326 2.117 -4.945 1.00 25.00 N ATOM 162 CA HIS A 90 38.291 2.047 -6.036 1.00 25.00 C ATOM 163 C HIS A 90 39.608 1.774 -5.320 1.00 25.00 C ATOM 164 O HIS A 90 39.777 2.194 -4.178 1.00 25.00 O ATOM 165 CB HIS A 90 38.340 3.364 -6.820 1.00 0.00 C ATOM 166 CG HIS A 90 38.527 4.574 -5.955 1.00 25.00 C ATOM 167 ND1 HIS A 90 37.498 5.345 -5.468 1.00 25.00 N ATOM 168 CD2 HIS A 90 39.662 5.166 -5.485 1.00 25.00 C ATOM 169 CE1 HIS A 90 38.022 6.333 -4.746 1.00 25.00 C ATOM 170 NE2 HIS A 90 39.339 6.268 -4.720 1.00 25.00 N ATOM 0 H HIS A 90 37.442 2.930 -4.340 1.00 25.00 H new ATOM 0 HA HIS A 90 38.045 1.285 -6.776 1.00 25.00 H new ATOM 0 HB2 HIS A 90 39.154 3.316 -7.543 1.00 0.00 H new ATOM 0 HB3 HIS A 90 37.416 3.473 -7.387 1.00 0.00 H new ATOM 0 HD2 HIS A 90 40.667 4.823 -5.683 1.00 25.00 H new ATOM 0 HE1 HIS A 90 37.441 7.093 -4.244 1.00 25.00 H new ATOM 0 HE2 HIS A 90 39.981 6.897 -4.238 1.00 25.00 H new ATOM 178 N HIS A 91 40.510 1.037 -5.949 1.00 25.00 N ATOM 179 CA HIS A 91 41.774 0.676 -5.314 1.00 25.00 C ATOM 180 C HIS A 91 42.798 0.363 -6.391 1.00 25.00 C ATOM 181 O HIS A 91 42.422 0.110 -7.531 1.00 25.00 O ATOM 182 CB HIS A 91 41.582 -0.543 -4.402 1.00 25.00 C ATOM 183 CG HIS A 91 42.675 -0.715 -3.396 1.00 25.00 C ATOM 184 ND1 HIS A 91 43.642 -1.690 -3.453 1.00 25.00 N ATOM 185 CD2 HIS A 91 42.964 0.004 -2.276 1.00 25.00 C ATOM 186 CE1 HIS A 91 44.453 -1.531 -2.410 1.00 25.00 C ATOM 187 NE2 HIS A 91 44.089 -0.509 -1.663 1.00 25.00 N ATOM 0 H HIS A 91 40.394 0.677 -6.896 1.00 25.00 H new ATOM 0 HA HIS A 91 42.125 1.510 -4.706 1.00 25.00 H new ATOM 0 HB2 HIS A 91 40.630 -0.449 -3.880 1.00 25.00 H new ATOM 0 HB3 HIS A 91 41.521 -1.441 -5.017 1.00 25.00 H new ATOM 0 HD2 HIS A 91 42.396 0.851 -1.920 1.00 25.00 H new ATOM 0 HE1 HIS A 91 45.304 -2.162 -2.202 1.00 25.00 H new ATOM 0 HE2 HIS A 91 44.541 -0.170 -0.814 1.00 25.00 H new ATOM 195 N SER A 92 44.076 0.374 -6.014 1.00 25.00 N ATOM 196 CA SER A 92 45.201 0.090 -6.922 1.00 25.00 C ATOM 197 C SER A 92 45.281 1.090 -8.079 1.00 25.00 C ATOM 198 O SER A 92 45.841 0.803 -9.137 1.00 25.00 O ATOM 199 CB SER A 92 45.130 -1.350 -7.453 1.00 25.00 C ATOM 200 OG SER A 92 46.365 -1.737 -8.024 1.00 25.00 O ATOM 0 H SER A 92 44.369 0.582 -5.059 1.00 25.00 H new ATOM 0 HA SER A 92 46.114 0.200 -6.337 1.00 25.00 H new ATOM 0 HB2 SER A 92 44.871 -2.029 -6.641 1.00 25.00 H new ATOM 0 HB3 SER A 92 44.339 -1.429 -8.199 1.00 25.00 H new ATOM 0 HG SER A 92 46.641 -1.072 -8.689 1.00 25.00 H new ATOM 206 N SER A 93 44.724 2.272 -7.859 1.00 25.00 N ATOM 207 CA SER A 93 44.765 3.343 -8.844 1.00 25.00 C ATOM 208 C SER A 93 46.158 3.968 -8.835 1.00 25.00 C ATOM 209 O SER A 93 46.871 3.868 -7.842 1.00 25.00 O ATOM 210 CB SER A 93 43.723 4.405 -8.491 1.00 25.00 C ATOM 211 OG SER A 93 42.441 3.816 -8.337 1.00 25.00 O ATOM 0 H SER A 93 44.234 2.515 -6.998 1.00 25.00 H new ATOM 0 HA SER A 93 44.545 2.944 -9.834 1.00 25.00 H new ATOM 0 HB2 SER A 93 44.010 4.911 -7.569 1.00 25.00 H new ATOM 0 HB3 SER A 93 43.689 5.163 -9.273 1.00 25.00 H new ATOM 0 HG SER A 93 41.787 4.510 -8.110 1.00 25.00 H new ATOM 217 N GLY A 94 46.523 4.635 -9.920 1.00 25.00 N ATOM 218 CA GLY A 94 47.810 5.313 -9.995 1.00 25.00 C ATOM 219 C GLY A 94 48.555 4.974 -11.264 1.00 25.00 C ATOM 220 O GLY A 94 48.624 5.799 -12.158 1.00 25.00 O ATOM 0 H GLY A 94 45.949 4.722 -10.758 1.00 25.00 H new ATOM 0 HA2 GLY A 94 47.656 6.391 -9.942 1.00 25.00 H new ATOM 0 HA3 GLY A 94 48.417 5.035 -9.133 1.00 25.00 H new ATOM 224 N HIS A 95 49.081 3.753 -11.340 1.00 25.00 N ATOM 225 CA HIS A 95 49.842 3.276 -12.508 1.00 25.00 C ATOM 226 C HIS A 95 50.966 4.258 -12.878 1.00 25.00 C ATOM 227 O HIS A 95 51.098 4.689 -14.019 1.00 25.00 O ATOM 228 CB HIS A 95 48.903 3.027 -13.698 1.00 25.00 C ATOM 229 CG HIS A 95 49.484 2.127 -14.742 1.00 25.00 C ATOM 230 ND1 HIS A 95 49.705 2.495 -16.045 1.00 25.00 N ATOM 231 CD2 HIS A 95 49.906 0.834 -14.666 1.00 25.00 C ATOM 232 CE1 HIS A 95 50.224 1.453 -16.691 1.00 25.00 C ATOM 233 NE2 HIS A 95 50.364 0.411 -15.896 1.00 25.00 N ATOM 0 H HIS A 95 48.995 3.061 -10.596 1.00 25.00 H new ATOM 0 HA HIS A 95 50.312 2.328 -12.244 1.00 25.00 H new ATOM 0 HB2 HIS A 95 47.973 2.592 -13.331 1.00 25.00 H new ATOM 0 HB3 HIS A 95 48.649 3.983 -14.155 1.00 25.00 H new ATOM 0 HD2 HIS A 95 49.885 0.228 -13.772 1.00 25.00 H new ATOM 0 HE1 HIS A 95 50.496 1.461 -17.736 1.00 25.00 H new ATOM 0 HE2 HIS A 95 50.732 -0.509 -16.138 1.00 25.00 H new ATOM 241 N ILE A 96 51.750 4.626 -11.872 1.00 25.00 N ATOM 242 CA ILE A 96 52.841 5.583 -12.051 1.00 25.00 C ATOM 243 C ILE A 96 53.932 5.033 -12.975 1.00 25.00 C ATOM 244 O ILE A 96 54.211 3.834 -12.993 1.00 25.00 O ATOM 245 CB ILE A 96 53.459 6.002 -10.676 1.00 25.00 C ATOM 246 CG1 ILE A 96 54.005 4.784 -9.890 1.00 25.00 C ATOM 247 CG2 ILE A 96 52.390 6.718 -9.814 1.00 25.00 C ATOM 248 CD1 ILE A 96 55.529 4.662 -9.897 1.00 25.00 C ATOM 0 H ILE A 96 51.652 4.276 -10.919 1.00 25.00 H new ATOM 0 HA ILE A 96 52.413 6.467 -12.523 1.00 25.00 H new ATOM 0 HB ILE A 96 54.291 6.674 -10.886 1.00 25.00 H new ATOM 0 HG12 ILE A 96 53.662 4.850 -8.857 1.00 25.00 H new ATOM 0 HG13 ILE A 96 53.577 3.874 -10.311 1.00 25.00 H new ATOM 0 HG21 ILE A 96 52.827 7.007 -8.858 1.00 25.00 H new ATOM 0 HG22 ILE A 96 52.038 7.608 -10.336 1.00 25.00 H new ATOM 0 HG23 ILE A 96 51.551 6.044 -9.640 1.00 25.00 H new ATOM 0 HD11 ILE A 96 55.826 3.783 -9.324 1.00 25.00 H new ATOM 0 HD12 ILE A 96 55.881 4.562 -10.924 1.00 25.00 H new ATOM 0 HD13 ILE A 96 55.967 5.553 -9.448 1.00 25.00 H new ATOM 260 N GLU A 97 54.531 5.929 -13.746 1.00 25.00 N ATOM 261 CA GLU A 97 55.549 5.568 -14.733 1.00 25.00 C ATOM 262 C GLU A 97 56.929 5.421 -14.082 1.00 25.00 C ATOM 263 O GLU A 97 57.827 4.772 -14.621 1.00 25.00 O ATOM 264 CB GLU A 97 55.592 6.650 -15.819 1.00 25.00 C ATOM 265 CG GLU A 97 54.247 6.834 -16.531 1.00 25.00 C ATOM 266 CD GLU A 97 54.262 7.980 -17.529 1.00 25.00 C ATOM 267 OE1 GLU A 97 54.996 7.894 -18.536 1.00 25.00 O ATOM 268 OE2 GLU A 97 53.515 8.960 -17.308 1.00 25.00 O1- ATOM 0 H GLU A 97 54.328 6.928 -13.708 1.00 25.00 H new ATOM 0 HA GLU A 97 55.288 4.605 -15.173 1.00 25.00 H new ATOM 0 HB2 GLU A 97 55.892 7.597 -15.370 1.00 25.00 H new ATOM 0 HB3 GLU A 97 56.354 6.390 -16.554 1.00 25.00 H new ATOM 0 HG2 GLU A 97 53.985 5.911 -17.048 1.00 25.00 H new ATOM 0 HG3 GLU A 97 53.470 7.015 -15.789 1.00 25.00 H new ATOM 275 N GLY A 98 57.081 5.996 -12.897 1.00 25.00 N ATOM 276 CA GLY A 98 58.332 5.891 -12.166 1.00 25.00 C ATOM 277 C GLY A 98 59.399 6.810 -12.725 1.00 25.00 C ATOM 278 O GLY A 98 59.094 7.912 -13.160 1.00 25.00 O ATOM 0 H GLY A 98 56.356 6.537 -12.425 1.00 25.00 H new ATOM 0 HA2 GLY A 98 58.160 6.133 -11.117 1.00 25.00 H new ATOM 0 HA3 GLY A 98 58.687 4.861 -12.202 1.00 25.00 H new ATOM 282 N ARG A 99 60.645 6.341 -12.695 1.00 25.00 N ATOM 283 CA ARG A 99 61.808 7.090 -13.207 1.00 25.00 C ATOM 284 C ARG A 99 61.951 8.500 -12.632 1.00 25.00 C ATOM 285 O ARG A 99 61.872 9.482 -13.350 1.00 25.00 O ATOM 286 CB ARG A 99 61.773 7.180 -14.735 1.00 25.00 C ATOM 287 CG ARG A 99 61.980 5.848 -15.449 1.00 25.00 C ATOM 288 CD ARG A 99 62.059 6.058 -16.963 1.00 25.00 C ATOM 289 NE ARG A 99 63.126 7.013 -17.320 1.00 25.00 N ATOM 290 CZ ARG A 99 64.408 6.718 -17.502 1.00 25.00 C ATOM 291 NH1 ARG A 99 64.872 5.495 -17.406 1.00 25.00 N1+ ATOM 292 NH2 ARG A 99 65.242 7.681 -17.777 1.00 25.00 N ATOM 0 H ARG A 99 60.885 5.426 -12.314 1.00 25.00 H new ATOM 0 HA ARG A 99 62.675 6.519 -12.875 1.00 25.00 H new ATOM 0 HB2 ARG A 99 60.813 7.597 -15.040 1.00 25.00 H new ATOM 0 HB3 ARG A 99 62.543 7.878 -15.064 1.00 25.00 H new ATOM 0 HG2 ARG A 99 62.896 5.376 -15.093 1.00 25.00 H new ATOM 0 HG3 ARG A 99 61.160 5.170 -15.212 1.00 25.00 H new ATOM 0 HD2 ARG A 99 62.244 5.103 -17.455 1.00 25.00 H new ATOM 0 HD3 ARG A 99 61.101 6.426 -17.331 1.00 25.00 H new ATOM 0 HE ARG A 99 62.854 7.989 -17.438 1.00 25.00 H new ATOM 0 HH11 ARG A 99 64.240 4.726 -17.184 1.00 25.00 H new ATOM 0 HH12 ARG A 99 65.865 5.313 -17.554 1.00 25.00 H new ATOM 0 HH21 ARG A 99 64.906 8.641 -17.849 1.00 25.00 H new ATOM 0 HH22 ARG A 99 66.231 7.474 -17.920 1.00 25.00 H new ATOM 306 N HIS A 100 62.257 8.582 -11.348 1.00 25.00 N ATOM 307 CA HIS A 100 62.593 9.852 -10.723 1.00 25.00 C ATOM 308 C HIS A 100 63.708 9.552 -9.732 1.00 25.00 C ATOM 309 O HIS A 100 63.961 8.380 -9.427 1.00 25.00 O ATOM 310 CB HIS A 100 61.384 10.475 -10.013 1.00 25.00 C ATOM 311 CG HIS A 100 61.080 9.853 -8.686 1.00 25.00 C ATOM 312 ND1 HIS A 100 61.585 10.303 -7.492 1.00 25.00 N ATOM 313 CD2 HIS A 100 60.301 8.787 -8.358 1.00 25.00 C ATOM 314 CE1 HIS A 100 61.123 9.524 -6.522 1.00 25.00 C ATOM 315 NE2 HIS A 100 60.333 8.579 -6.992 1.00 25.00 N ATOM 0 H HIS A 100 62.280 7.782 -10.716 1.00 25.00 H new ATOM 0 HA HIS A 100 62.906 10.579 -11.472 1.00 25.00 H new ATOM 0 HB2 HIS A 100 61.566 11.540 -9.872 1.00 25.00 H new ATOM 0 HB3 HIS A 100 60.509 10.383 -10.656 1.00 25.00 H new ATOM 0 HD2 HIS A 100 59.740 8.191 -9.062 1.00 25.00 H new ATOM 0 HE1 HIS A 100 61.364 9.649 -5.477 1.00 25.00 H new ATOM 0 HE2 HIS A 100 59.851 7.853 -6.463 1.00 25.00 H new ATOM 323 N MET A 101 64.354 10.589 -9.229 1.00 25.00 N ATOM 324 CA MET A 101 65.422 10.460 -8.247 1.00 25.00 C ATOM 325 C MET A 101 65.163 11.485 -7.145 1.00 25.00 C ATOM 326 O MET A 101 64.248 12.305 -7.261 1.00 25.00 O ATOM 327 CB MET A 101 66.783 10.683 -8.918 1.00 25.00 C ATOM 328 CG MET A 101 66.973 12.071 -9.490 1.00 25.00 C ATOM 329 SD MET A 101 68.553 12.191 -10.321 1.00 25.00 S ATOM 330 CE MET A 101 68.684 13.953 -10.500 1.00 25.00 C ATOM 0 H MET A 101 64.152 11.554 -9.491 1.00 25.00 H new ATOM 0 HA MET A 101 65.439 9.459 -7.816 1.00 25.00 H new ATOM 0 HB2 MET A 101 67.570 10.492 -8.189 1.00 25.00 H new ATOM 0 HB3 MET A 101 66.905 9.953 -9.718 1.00 25.00 H new ATOM 0 HG2 MET A 101 66.168 12.296 -10.190 1.00 25.00 H new ATOM 0 HG3 MET A 101 66.917 12.811 -8.692 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.523 14.191 -11.154 1.00 25.00 H new ATOM 0 HE2 MET A 101 67.764 14.344 -10.934 1.00 25.00 H new ATOM 0 HE3 MET A 101 68.846 14.407 -9.522 1.00 25.00 H new ATOM 340 N LEU A 102 65.937 11.418 -6.071 1.00 25.00 N ATOM 341 CA LEU A 102 65.760 12.302 -4.917 1.00 25.00 C ATOM 342 C LEU A 102 67.093 12.959 -4.581 1.00 25.00 C ATOM 343 O LEU A 102 68.092 12.267 -4.422 1.00 25.00 O ATOM 344 CB LEU A 102 65.274 11.476 -3.718 1.00 25.00 C ATOM 345 CG LEU A 102 64.914 12.257 -2.441 1.00 25.00 C ATOM 346 CD1 LEU A 102 63.541 12.911 -2.567 1.00 25.00 C ATOM 347 CD2 LEU A 102 64.918 11.319 -1.237 1.00 25.00 C ATOM 0 H LEU A 102 66.704 10.753 -5.971 1.00 25.00 H new ATOM 0 HA LEU A 102 65.024 13.072 -5.148 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.397 10.909 -4.029 1.00 25.00 H new ATOM 0 HB3 LEU A 102 66.049 10.752 -3.467 1.00 25.00 H new ATOM 0 HG LEU A 102 65.661 13.038 -2.302 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.312 13.456 -1.651 1.00 25.00 H new ATOM 0 HD12 LEU A 102 63.543 13.602 -3.410 1.00 25.00 H new ATOM 0 HD13 LEU A 102 62.786 12.142 -2.730 1.00 25.00 H new ATOM 0 HD21 LEU A 102 64.662 11.880 -0.338 1.00 25.00 H new ATOM 0 HD22 LEU A 102 64.186 10.526 -1.391 1.00 25.00 H new ATOM 0 HD23 LEU A 102 65.909 10.880 -1.121 1.00 25.00 H new ATOM 359 N LEU A 103 67.111 14.279 -4.463 1.00 25.00 N ATOM 360 CA LEU A 103 68.330 15.016 -4.117 1.00 25.00 C ATOM 361 C LEU A 103 68.124 15.766 -2.824 1.00 25.00 C ATOM 362 O LEU A 103 67.018 16.198 -2.524 1.00 25.00 O ATOM 363 CB LEU A 103 68.689 16.027 -5.212 1.00 25.00 C ATOM 364 CG LEU A 103 69.233 15.458 -6.527 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.446 16.594 -7.518 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.546 14.736 -6.301 1.00 25.00 C ATOM 0 H LEU A 103 66.291 14.870 -4.602 1.00 25.00 H new ATOM 0 HA LEU A 103 69.140 14.294 -4.014 1.00 25.00 H new ATOM 0 HB2 LEU A 103 67.798 16.613 -5.438 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.430 16.717 -4.808 1.00 25.00 H new ATOM 0 HG LEU A 103 68.509 14.746 -6.923 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.833 16.192 -8.454 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.497 17.097 -7.704 1.00 25.00 H new ATOM 0 HD13 LEU A 103 70.160 17.307 -7.106 1.00 25.00 H new ATOM 0 HD21 LEU A 103 70.912 14.341 -7.249 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.278 15.432 -5.891 1.00 25.00 H new ATOM 0 HD23 LEU A 103 70.394 13.915 -5.600 1.00 25.00 H new ATOM 378 N THR A 104 69.197 15.939 -2.073 1.00 25.00 N ATOM 379 CA THR A 104 69.145 16.659 -0.806 1.00 25.00 C ATOM 380 C THR A 104 69.750 18.044 -1.001 1.00 25.00 C ATOM 381 O THR A 104 70.732 18.211 -1.718 1.00 25.00 O ATOM 382 CB THR A 104 69.918 15.882 0.275 1.00 25.00 C ATOM 383 OG1 THR A 104 69.449 14.532 0.298 1.00 25.00 O ATOM 384 CG2 THR A 104 69.717 16.476 1.661 1.00 25.00 C ATOM 0 H THR A 104 70.123 15.589 -2.318 1.00 25.00 H new ATOM 0 HA THR A 104 68.110 16.758 -0.480 1.00 25.00 H new ATOM 0 HB THR A 104 70.978 15.936 0.027 1.00 25.00 H new ATOM 0 HG1 THR A 104 69.936 14.028 0.983 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.281 15.895 2.391 1.00 25.00 H new ATOM 0 HG22 THR A 104 70.068 17.508 1.669 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.658 16.451 1.918 1.00 25.00 H new ATOM 392 N VAL A 105 69.153 19.040 -0.375 1.00 25.00 N ATOM 393 CA VAL A 105 69.624 20.415 -0.462 1.00 25.00 C ATOM 394 C VAL A 105 69.867 20.905 0.959 1.00 25.00 C ATOM 395 O VAL A 105 68.986 20.818 1.806 1.00 25.00 O ATOM 396 CB VAL A 105 68.555 21.317 -1.125 1.00 25.00 C ATOM 397 CG1 VAL A 105 69.056 22.769 -1.263 1.00 25.00 C ATOM 398 CG2 VAL A 105 68.127 20.760 -2.503 1.00 25.00 C ATOM 0 H VAL A 105 68.326 18.922 0.210 1.00 25.00 H new ATOM 0 HA VAL A 105 70.533 20.457 -1.062 1.00 25.00 H new ATOM 0 HB VAL A 105 67.682 21.319 -0.473 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.283 23.378 -1.732 1.00 25.00 H new ATOM 0 HG12 VAL A 105 69.285 23.170 -0.276 1.00 25.00 H new ATOM 0 HG13 VAL A 105 69.955 22.787 -1.879 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.376 21.416 -2.943 1.00 25.00 H new ATOM 0 HG22 VAL A 105 68.995 20.710 -3.161 1.00 25.00 H new ATOM 0 HG23 VAL A 105 67.709 19.761 -2.378 1.00 25.00 H new ATOM 408 N TYR A 106 71.062 21.409 1.223 1.00 25.00 N ATOM 409 CA TYR A 106 71.404 21.957 2.531 1.00 25.00 C ATOM 410 C TYR A 106 71.515 23.472 2.382 1.00 25.00 C ATOM 411 O TYR A 106 72.428 23.968 1.729 1.00 25.00 O ATOM 412 CB TYR A 106 72.725 21.349 3.010 1.00 25.00 C ATOM 413 CG TYR A 106 72.953 21.479 4.500 1.00 25.00 C ATOM 414 CD1 TYR A 106 73.176 22.736 5.097 1.00 25.00 C ATOM 415 CD2 TYR A 106 72.947 20.337 5.323 1.00 25.00 C ATOM 416 CE1 TYR A 106 73.400 22.848 6.495 1.00 25.00 C ATOM 417 CE2 TYR A 106 73.167 20.445 6.724 1.00 25.00 C ATOM 418 CZ TYR A 106 73.398 21.699 7.293 1.00 25.00 C ATOM 419 OH TYR A 106 73.626 21.794 8.641 1.00 25.00 O ATOM 0 H TYR A 106 71.820 21.451 0.542 1.00 25.00 H new ATOM 0 HA TYR A 106 70.641 21.718 3.272 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.747 20.293 2.739 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.548 21.831 2.483 1.00 25.00 H new ATOM 0 HD1 TYR A 106 73.177 23.625 4.484 1.00 25.00 H new ATOM 0 HD2 TYR A 106 72.773 19.365 4.885 1.00 25.00 H new ATOM 0 HE1 TYR A 106 73.571 23.817 6.940 1.00 25.00 H new ATOM 0 HE2 TYR A 106 73.155 19.561 7.345 1.00 25.00 H new ATOM 0 HH TYR A 106 73.944 22.696 8.856 1.00 25.00 H new ATOM 429 N CYS A 107 70.557 24.205 2.924 1.00 25.00 N ATOM 430 CA CYS A 107 70.533 25.656 2.779 1.00 25.00 C ATOM 431 C CYS A 107 71.135 26.313 4.014 1.00 25.00 C ATOM 432 O CYS A 107 70.607 26.191 5.114 1.00 25.00 O ATOM 433 CB CYS A 107 69.096 26.136 2.581 1.00 25.00 C ATOM 434 SG CYS A 107 68.983 27.905 2.243 1.00 25.00 S ATOM 0 H CYS A 107 69.784 23.822 3.469 1.00 25.00 H new ATOM 0 HA CYS A 107 71.124 25.935 1.906 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.645 25.585 1.756 1.00 25.00 H new ATOM 0 HB3 CYS A 107 68.515 25.905 3.474 1.00 25.00 H new ATOM 0 HG CYS A 107 67.962 28.403 2.875 1.00 25.00 H new ATOM 440 N VAL A 108 72.244 27.013 3.828 1.00 25.00 N ATOM 441 CA VAL A 108 72.965 27.624 4.940 1.00 25.00 C ATOM 442 C VAL A 108 72.651 29.106 5.084 1.00 25.00 C ATOM 443 O VAL A 108 72.950 29.921 4.194 1.00 25.00 O ATOM 444 CB VAL A 108 74.504 27.457 4.777 1.00 25.00 C ATOM 445 CG1 VAL A 108 75.244 28.005 6.016 1.00 25.00 C ATOM 446 CG2 VAL A 108 74.867 25.980 4.581 1.00 25.00 C ATOM 0 H VAL A 108 72.668 27.174 2.914 1.00 25.00 H new ATOM 0 HA VAL A 108 72.630 27.103 5.837 1.00 25.00 H new ATOM 0 HB VAL A 108 74.812 28.022 3.897 1.00 25.00 H new ATOM 0 HG11 VAL A 108 76.319 27.879 5.883 1.00 25.00 H new ATOM 0 HG12 VAL A 108 75.015 29.064 6.138 1.00 25.00 H new ATOM 0 HG13 VAL A 108 74.922 27.460 6.903 1.00 25.00 H new ATOM 0 HG21 VAL A 108 75.947 25.883 4.469 1.00 25.00 H new ATOM 0 HG22 VAL A 108 74.539 25.407 5.448 1.00 25.00 H new ATOM 0 HG23 VAL A 108 74.373 25.600 3.687 1.00 25.00 H new ATOM 456 N ARG A 109 72.110 29.472 6.237 1.00 25.00 N ATOM 457 CA ARG A 109 71.935 30.873 6.612 1.00 25.00 C ATOM 458 C ARG A 109 73.116 31.201 7.501 1.00 25.00 C ATOM 459 O ARG A 109 73.468 30.415 8.358 1.00 25.00 O ATOM 460 CB ARG A 109 70.637 31.057 7.396 1.00 25.00 C ATOM 461 CG ARG A 109 69.415 31.334 6.532 1.00 25.00 C ATOM 462 CD ARG A 109 69.244 32.837 6.308 1.00 25.00 C ATOM 463 NE ARG A 109 68.006 33.146 5.574 1.00 25.00 N ATOM 464 CZ ARG A 109 67.596 34.365 5.240 1.00 25.00 C ATOM 465 NH1 ARG A 109 68.272 35.447 5.552 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 66.478 34.501 4.581 1.00 25.00 N ATOM 0 H ARG A 109 71.780 28.810 6.939 1.00 25.00 H new ATOM 0 HA ARG A 109 71.883 31.519 5.736 1.00 25.00 H new ATOM 0 HB2 ARG A 109 70.453 30.160 7.987 1.00 25.00 H new ATOM 0 HB3 ARG A 109 70.765 31.881 8.098 1.00 25.00 H new ATOM 0 HG2 ARG A 109 69.519 30.827 5.573 1.00 25.00 H new ATOM 0 HG3 ARG A 109 68.524 30.929 7.012 1.00 25.00 H new ATOM 0 HD2 ARG A 109 69.232 33.348 7.271 1.00 25.00 H new ATOM 0 HD3 ARG A 109 70.100 33.221 5.753 1.00 25.00 H new ATOM 0 HE ARG A 109 67.415 32.361 5.300 1.00 25.00 H new ATOM 0 HH11 ARG A 109 69.147 35.370 6.070 1.00 25.00 H new ATOM 0 HH12 ARG A 109 67.922 36.364 5.276 1.00 25.00 H new ATOM 0 HH21 ARG A 109 65.931 33.678 4.329 1.00 25.00 H new ATOM 0 HH22 ARG A 109 66.151 35.431 4.318 1.00 25.00 H new ATOM 480 N ARG A 110 73.727 32.360 7.305 1.00 25.00 N ATOM 481 CA ARG A 110 74.900 32.740 8.103 1.00 25.00 C ATOM 482 C ARG A 110 74.527 33.024 9.562 1.00 25.00 C ATOM 483 O ARG A 110 75.379 33.022 10.436 1.00 25.00 O ATOM 484 CB ARG A 110 75.602 33.949 7.475 1.00 25.00 C ATOM 485 CG ARG A 110 77.038 34.121 7.959 1.00 25.00 C ATOM 486 CD ARG A 110 77.788 35.152 7.134 1.00 25.00 C ATOM 487 NE ARG A 110 79.213 35.178 7.504 1.00 25.00 N ATOM 488 CZ ARG A 110 80.150 35.912 6.914 1.00 25.00 C ATOM 489 NH1 ARG A 110 79.881 36.719 5.916 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 81.381 35.828 7.334 1.00 25.00 N ATOM 0 H ARG A 110 73.441 33.051 6.611 1.00 25.00 H new ATOM 0 HA ARG A 110 75.589 31.896 8.104 1.00 25.00 H new ATOM 0 HB2 ARG A 110 75.600 33.840 6.390 1.00 25.00 H new ATOM 0 HB3 ARG A 110 75.036 34.851 7.706 1.00 25.00 H new ATOM 0 HG2 ARG A 110 77.035 34.424 9.006 1.00 25.00 H new ATOM 0 HG3 ARG A 110 77.557 33.164 7.906 1.00 25.00 H new ATOM 0 HD2 ARG A 110 77.687 34.920 6.074 1.00 25.00 H new ATOM 0 HD3 ARG A 110 77.349 36.138 7.288 1.00 25.00 H new ATOM 0 HE ARG A 110 79.505 34.582 8.279 1.00 25.00 H new ATOM 0 HH11 ARG A 110 78.926 36.799 5.568 1.00 25.00 H new ATOM 0 HH12 ARG A 110 80.627 37.267 5.488 1.00 25.00 H new ATOM 0 HH21 ARG A 110 81.615 35.204 8.107 1.00 25.00 H new ATOM 0 HH22 ARG A 110 82.110 36.386 6.890 1.00 25.00 H new ATOM 504 N ASP A 111 73.241 33.213 9.803 1.00 25.00 N ATOM 505 CA ASP A 111 72.708 33.455 11.148 1.00 25.00 C ATOM 506 C ASP A 111 72.285 32.130 11.819 1.00 25.00 C ATOM 507 O ASP A 111 71.398 32.103 12.662 1.00 25.00 O ATOM 508 CB ASP A 111 71.512 34.409 11.036 1.00 25.00 C ATOM 509 CG ASP A 111 71.213 35.142 12.337 1.00 25.00 C ATOM 510 OD1 ASP A 111 72.163 35.423 13.096 1.00 25.00 O ATOM 511 OD2 ASP A 111 70.044 35.539 12.532 1.00 25.00 O1- ATOM 0 H ASP A 111 72.528 33.204 9.074 1.00 25.00 H new ATOM 0 HA ASP A 111 73.482 33.905 11.771 1.00 25.00 H new ATOM 0 HB2 ASP A 111 71.709 35.139 10.251 1.00 25.00 H new ATOM 0 HB3 ASP A 111 70.631 33.844 10.733 1.00 25.00 H new ATOM 516 N LEU A 112 72.908 31.035 11.378 1.00 25.00 N ATOM 517 CA LEU A 112 72.678 29.664 11.893 1.00 25.00 C ATOM 518 C LEU A 112 71.230 29.178 11.780 1.00 25.00 C ATOM 519 O LEU A 112 70.833 28.205 12.403 1.00 25.00 O ATOM 520 CB LEU A 112 73.161 29.538 13.349 1.00 25.00 C ATOM 521 CG LEU A 112 74.635 29.893 13.614 1.00 25.00 C ATOM 522 CD1 LEU A 112 74.898 29.844 15.120 1.00 25.00 C ATOM 523 CD2 LEU A 112 75.591 28.934 12.888 1.00 25.00 C ATOM 0 H LEU A 112 73.606 31.067 10.635 1.00 25.00 H new ATOM 0 HA LEU A 112 73.267 29.015 11.245 1.00 25.00 H new ATOM 0 HB2 LEU A 112 72.538 30.179 13.972 1.00 25.00 H new ATOM 0 HB3 LEU A 112 72.992 28.512 13.677 1.00 25.00 H new ATOM 0 HG LEU A 112 74.820 30.896 13.230 1.00 25.00 H new ATOM 0 HD11 LEU A 112 75.941 30.094 15.316 1.00 25.00 H new ATOM 0 HD12 LEU A 112 74.251 30.561 15.626 1.00 25.00 H new ATOM 0 HD13 LEU A 112 74.690 28.841 15.493 1.00 25.00 H new ATOM 0 HD21 LEU A 112 76.622 29.218 13.100 1.00 25.00 H new ATOM 0 HD22 LEU A 112 75.417 27.915 13.234 1.00 25.00 H new ATOM 0 HD23 LEU A 112 75.414 28.988 11.814 1.00 25.00 H new ATOM 535 N SER A 113 70.469 29.834 10.922 1.00 25.00 N ATOM 536 CA SER A 113 69.073 29.488 10.645 1.00 25.00 C ATOM 537 C SER A 113 69.001 28.441 9.529 1.00 25.00 C ATOM 538 O SER A 113 68.082 28.426 8.715 1.00 25.00 O ATOM 539 CB SER A 113 68.328 30.749 10.241 1.00 25.00 C ATOM 540 OG SER A 113 69.163 31.885 10.418 1.00 25.00 O ATOM 0 H SER A 113 70.802 30.636 10.386 1.00 25.00 H new ATOM 0 HA SER A 113 68.612 29.064 11.537 1.00 25.00 H new ATOM 0 HB2 SER A 113 68.013 30.677 9.200 1.00 25.00 H new ATOM 0 HB3 SER A 113 67.424 30.855 10.841 1.00 25.00 H new ATOM 0 HG SER A 113 68.676 32.693 10.154 1.00 25.00 H new ATOM 546 N GLU A 114 70.072 27.684 9.409 1.00 25.00 N ATOM 547 CA GLU A 114 70.256 26.738 8.314 1.00 25.00 C ATOM 548 C GLU A 114 69.350 25.513 8.451 1.00 25.00 C ATOM 549 O GLU A 114 68.907 25.162 9.542 1.00 25.00 O ATOM 550 CB GLU A 114 71.731 26.318 8.246 1.00 25.00 C ATOM 551 CG GLU A 114 72.273 25.617 9.483 1.00 25.00 C ATOM 552 CD GLU A 114 73.785 25.473 9.413 1.00 25.00 C ATOM 553 OE1 GLU A 114 74.478 26.515 9.378 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 74.280 24.328 9.323 1.00 25.00 O1- ATOM 0 H GLU A 114 70.848 27.704 10.070 1.00 25.00 H new ATOM 0 HA GLU A 114 69.973 27.235 7.386 1.00 25.00 H new ATOM 0 HB2 GLU A 114 71.863 25.657 7.389 1.00 25.00 H new ATOM 0 HB3 GLU A 114 72.335 27.206 8.060 1.00 25.00 H new ATOM 0 HG2 GLU A 114 71.999 26.182 10.374 1.00 25.00 H new ATOM 0 HG3 GLU A 114 71.815 24.632 9.577 1.00 25.00 H new ATOM 561 N VAL A 115 69.032 24.911 7.314 1.00 25.00 N ATOM 562 CA VAL A 115 68.064 23.819 7.248 1.00 25.00 C ATOM 563 C VAL A 115 68.453 22.927 6.075 1.00 25.00 C ATOM 564 O VAL A 115 69.128 23.379 5.153 1.00 25.00 O ATOM 565 CB VAL A 115 66.605 24.406 7.061 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.443 25.087 5.682 1.00 25.00 C ATOM 567 CG2 VAL A 115 65.520 23.330 7.260 1.00 25.00 C ATOM 0 H VAL A 115 69.435 25.163 6.412 1.00 25.00 H new ATOM 0 HA VAL A 115 68.068 23.236 8.169 1.00 25.00 H new ATOM 0 HB VAL A 115 66.470 25.161 7.835 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.430 25.479 5.586 1.00 25.00 H new ATOM 0 HG12 VAL A 115 67.158 25.905 5.594 1.00 25.00 H new ATOM 0 HG13 VAL A 115 66.626 24.358 4.893 1.00 25.00 H new ATOM 0 HG21 VAL A 115 64.535 23.777 7.123 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.661 22.532 6.531 1.00 25.00 H new ATOM 0 HG23 VAL A 115 65.595 22.920 8.267 1.00 25.00 H new ATOM 577 N THR A 116 68.011 21.682 6.079 1.00 25.00 N ATOM 578 CA THR A 116 68.225 20.800 4.943 1.00 25.00 C ATOM 579 C THR A 116 66.902 20.107 4.657 1.00 25.00 C ATOM 580 O THR A 116 66.082 19.931 5.558 1.00 25.00 O ATOM 581 CB THR A 116 69.388 19.795 5.191 1.00 25.00 C ATOM 582 OG1 THR A 116 69.674 19.082 3.984 1.00 25.00 O ATOM 583 CG2 THR A 116 69.061 18.785 6.281 1.00 25.00 C ATOM 0 H THR A 116 67.502 21.258 6.855 1.00 25.00 H new ATOM 0 HA THR A 116 68.538 21.373 4.071 1.00 25.00 H new ATOM 0 HB THR A 116 70.249 20.379 5.515 1.00 25.00 H new ATOM 0 HG1 THR A 116 69.435 19.637 3.212 1.00 25.00 H new ATOM 0 HG21 THR A 116 69.905 18.108 6.414 1.00 25.00 H new ATOM 0 HG22 THR A 116 68.865 19.310 7.216 1.00 25.00 H new ATOM 0 HG23 THR A 116 68.178 18.213 5.994 1.00 25.00 H new ATOM 591 N PHE A 117 66.676 19.789 3.393 1.00 25.00 N ATOM 592 CA PHE A 117 65.430 19.188 2.940 1.00 25.00 C ATOM 593 C PHE A 117 65.761 18.418 1.671 1.00 25.00 C ATOM 594 O PHE A 117 66.867 18.550 1.152 1.00 25.00 O ATOM 595 CB PHE A 117 64.375 20.274 2.676 1.00 25.00 C ATOM 596 CG PHE A 117 64.847 21.381 1.768 1.00 25.00 C ATOM 597 CD1 PHE A 117 64.711 21.261 0.372 1.00 25.00 C ATOM 598 CD2 PHE A 117 65.406 22.563 2.302 1.00 25.00 C ATOM 599 CE1 PHE A 117 65.122 22.307 -0.493 1.00 25.00 C ATOM 600 CE2 PHE A 117 65.825 23.618 1.447 1.00 25.00 C ATOM 601 CZ PHE A 117 65.678 23.489 0.048 1.00 25.00 C ATOM 0 H PHE A 117 67.355 19.941 2.647 1.00 25.00 H new ATOM 0 HA PHE A 117 65.010 18.523 3.694 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.492 19.809 2.236 1.00 25.00 H new ATOM 0 HB3 PHE A 117 64.067 20.706 3.628 1.00 25.00 H new ATOM 0 HD1 PHE A 117 64.288 20.360 -0.046 1.00 25.00 H new ATOM 0 HD2 PHE A 117 65.516 22.666 3.371 1.00 25.00 H new ATOM 0 HE1 PHE A 117 65.011 22.201 -1.562 1.00 25.00 H new ATOM 0 HE2 PHE A 117 66.255 24.516 1.866 1.00 25.00 H new ATOM 0 HZ PHE A 117 65.989 24.290 -0.606 1.00 25.00 H new ATOM 611 N SER A 118 64.830 17.623 1.168 1.00 25.00 N ATOM 612 CA SER A 118 65.068 16.834 -0.038 1.00 25.00 C ATOM 613 C SER A 118 63.940 17.048 -1.030 1.00 25.00 C ATOM 614 O SER A 118 62.801 17.283 -0.639 1.00 25.00 O ATOM 615 CB SER A 118 65.184 15.349 0.312 1.00 25.00 C ATOM 616 OG SER A 118 66.255 15.120 1.218 1.00 25.00 O ATOM 0 H SER A 118 63.902 17.505 1.573 1.00 25.00 H new ATOM 0 HA SER A 118 66.005 17.160 -0.490 1.00 25.00 H new ATOM 0 HB2 SER A 118 64.250 15.002 0.753 1.00 25.00 H new ATOM 0 HB3 SER A 118 65.342 14.769 -0.597 1.00 25.00 H new ATOM 0 HG SER A 118 66.308 14.164 1.427 1.00 25.00 H new ATOM 622 N LEU A 119 64.276 16.981 -2.308 1.00 25.00 N ATOM 623 CA LEU A 119 63.324 17.210 -3.390 1.00 25.00 C ATOM 624 C LEU A 119 63.442 16.091 -4.400 1.00 25.00 C ATOM 625 O LEU A 119 64.526 15.536 -4.588 1.00 25.00 O ATOM 626 CB LEU A 119 63.631 18.539 -4.087 1.00 25.00 C ATOM 627 CG LEU A 119 63.412 19.814 -3.259 1.00 25.00 C ATOM 628 CD1 LEU A 119 63.920 20.989 -4.066 1.00 25.00 C ATOM 629 CD2 LEU A 119 61.938 20.013 -2.922 1.00 25.00 C ATOM 0 H LEU A 119 65.220 16.766 -2.629 1.00 25.00 H new ATOM 0 HA LEU A 119 62.316 17.242 -2.977 1.00 25.00 H new ATOM 0 HB2 LEU A 119 64.670 18.520 -4.415 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.015 18.604 -4.984 1.00 25.00 H new ATOM 0 HG LEU A 119 63.953 19.729 -2.316 1.00 25.00 H new ATOM 0 HD11 LEU A 119 63.776 21.909 -3.499 1.00 25.00 H new ATOM 0 HD12 LEU A 119 64.981 20.855 -4.276 1.00 25.00 H new ATOM 0 HD13 LEU A 119 63.369 21.051 -5.005 1.00 25.00 H new ATOM 0 HD21 LEU A 119 61.819 20.924 -2.336 1.00 25.00 H new ATOM 0 HD22 LEU A 119 61.362 20.097 -3.844 1.00 25.00 H new ATOM 0 HD23 LEU A 119 61.578 19.161 -2.345 1.00 25.00 H new ATOM 641 N GLN A 120 62.341 15.762 -5.055 1.00 25.00 N ATOM 642 CA GLN A 120 62.332 14.695 -6.053 1.00 25.00 C ATOM 643 C GLN A 120 62.238 15.321 -7.438 1.00 25.00 C ATOM 644 O GLN A 120 61.501 16.288 -7.646 1.00 25.00 O ATOM 645 CB GLN A 120 61.209 13.684 -5.765 1.00 25.00 C ATOM 646 CG GLN A 120 59.778 14.137 -6.106 1.00 25.00 C ATOM 647 CD GLN A 120 59.362 13.790 -7.533 1.00 25.00 C ATOM 648 OE1 GLN A 120 60.125 13.230 -8.299 1.00 25.00 O ATOM 649 NE2 GLN A 120 58.138 14.098 -7.873 1.00 25.00 N ATOM 0 H GLN A 120 61.439 16.217 -4.916 1.00 25.00 H new ATOM 0 HA GLN A 120 63.259 14.124 -6.007 1.00 25.00 H new ATOM 0 HB2 GLN A 120 61.420 12.771 -6.321 1.00 25.00 H new ATOM 0 HB3 GLN A 120 61.243 13.427 -4.706 1.00 25.00 H new ATOM 0 HG2 GLN A 120 59.081 13.673 -5.408 1.00 25.00 H new ATOM 0 HG3 GLN A 120 59.701 15.215 -5.964 1.00 25.00 H new ATOM 0 HE21 GLN A 120 57.526 14.567 -7.205 1.00 25.00 H new ATOM 0 HE22 GLN A 120 57.795 13.869 -8.806 1.00 25.00 H new ATOM 658 N VAL A 121 63.070 14.830 -8.343 1.00 25.00 N ATOM 659 CA VAL A 121 63.243 15.405 -9.683 1.00 25.00 C ATOM 660 C VAL A 121 63.582 14.270 -10.644 1.00 25.00 C ATOM 661 O VAL A 121 63.911 13.176 -10.203 1.00 25.00 O ATOM 662 CB VAL A 121 64.433 16.432 -9.700 1.00 25.00 C ATOM 663 CG1 VAL A 121 64.055 17.729 -8.976 1.00 25.00 C ATOM 664 CG2 VAL A 121 65.694 15.827 -9.044 1.00 25.00 C ATOM 0 H VAL A 121 63.654 14.012 -8.173 1.00 25.00 H new ATOM 0 HA VAL A 121 62.326 15.918 -9.972 1.00 25.00 H new ATOM 0 HB VAL A 121 64.648 16.661 -10.744 1.00 25.00 H new ATOM 0 HG11 VAL A 121 64.897 18.420 -9.004 1.00 25.00 H new ATOM 0 HG12 VAL A 121 63.196 18.184 -9.469 1.00 25.00 H new ATOM 0 HG13 VAL A 121 63.802 17.507 -7.939 1.00 25.00 H new ATOM 0 HG21 VAL A 121 66.503 16.557 -9.068 1.00 25.00 H new ATOM 0 HG22 VAL A 121 65.475 15.563 -8.009 1.00 25.00 H new ATOM 0 HG23 VAL A 121 65.995 14.933 -9.591 1.00 25.00 H new ATOM 674 N ASP A 122 63.552 14.528 -11.940 1.00 25.00 N ATOM 675 CA ASP A 122 64.017 13.544 -12.924 1.00 25.00 C ATOM 676 C ASP A 122 65.528 13.735 -13.114 1.00 25.00 C ATOM 677 O ASP A 122 66.091 14.749 -12.710 1.00 25.00 O ATOM 678 CB ASP A 122 63.303 13.720 -14.270 1.00 25.00 C ATOM 679 CG ASP A 122 63.786 12.716 -15.316 1.00 25.00 C ATOM 680 OD1 ASP A 122 63.944 11.521 -14.977 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 64.220 13.160 -16.388 1.00 25.00 O1- ATOM 0 H ASP A 122 63.214 15.403 -12.342 1.00 25.00 H new ATOM 0 HA ASP A 122 63.794 12.541 -12.560 1.00 25.00 H new ATOM 0 HB2 ASP A 122 62.229 13.605 -14.127 1.00 25.00 H new ATOM 0 HB3 ASP A 122 63.469 14.733 -14.637 1.00 25.00 H new ATOM 686 N ALA A 123 66.177 12.777 -13.756 1.00 25.00 N ATOM 687 CA ALA A 123 67.595 12.872 -14.057 1.00 25.00 C ATOM 688 C ALA A 123 67.867 13.959 -15.115 1.00 25.00 C ATOM 689 O ALA A 123 68.903 14.632 -15.067 1.00 25.00 O ATOM 690 CB ALA A 123 68.096 11.509 -14.551 1.00 25.00 C ATOM 0 H ALA A 123 65.738 11.916 -14.081 1.00 25.00 H new ATOM 0 HA ALA A 123 68.130 13.153 -13.150 1.00 25.00 H new ATOM 0 HB1 ALA A 123 69.160 11.573 -14.779 1.00 25.00 H new ATOM 0 HB2 ALA A 123 67.935 10.760 -13.776 1.00 25.00 H new ATOM 0 HB3 ALA A 123 67.549 11.224 -15.450 1.00 25.00 H new ATOM 696 N ASP A 124 66.958 14.122 -16.071 1.00 25.00 N ATOM 697 CA ASP A 124 67.161 15.073 -17.170 1.00 25.00 C ATOM 698 C ASP A 124 66.607 16.461 -16.837 1.00 25.00 C ATOM 699 O ASP A 124 66.648 17.377 -17.647 1.00 25.00 O ATOM 700 CB ASP A 124 66.517 14.545 -18.459 1.00 25.00 C ATOM 701 CG ASP A 124 67.301 14.943 -19.713 1.00 25.00 C ATOM 702 OD1 ASP A 124 68.535 15.170 -19.611 1.00 25.00 O ATOM 703 OD2 ASP A 124 66.710 14.909 -20.816 1.00 25.00 O1- ATOM 0 H ASP A 124 66.075 13.612 -16.111 1.00 25.00 H new ATOM 0 HA ASP A 124 68.236 15.173 -17.318 1.00 25.00 H new ATOM 0 HB2 ASP A 124 66.448 13.458 -18.408 1.00 25.00 H new ATOM 0 HB3 ASP A 124 65.499 14.926 -18.535 1.00 25.00 H new ATOM 708 N PHE A 125 66.129 16.604 -15.608 1.00 25.00 N ATOM 709 CA PHE A 125 65.590 17.867 -15.101 1.00 25.00 C ATOM 710 C PHE A 125 66.656 18.961 -15.194 1.00 25.00 C ATOM 711 O PHE A 125 67.815 18.748 -14.823 1.00 25.00 O ATOM 712 CB PHE A 125 65.185 17.645 -13.641 1.00 25.00 C ATOM 713 CG PHE A 125 64.113 18.565 -13.135 1.00 25.00 C ATOM 714 CD1 PHE A 125 62.780 18.400 -13.552 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.410 19.556 -12.181 1.00 25.00 C ATOM 716 CE1 PHE A 125 61.748 19.214 -13.025 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.380 20.368 -11.633 1.00 25.00 C ATOM 718 CZ PHE A 125 62.049 20.193 -12.060 1.00 25.00 C ATOM 0 H PHE A 125 66.102 15.845 -14.928 1.00 25.00 H new ATOM 0 HA PHE A 125 64.728 18.182 -15.689 1.00 25.00 H new ATOM 0 HB2 PHE A 125 64.844 16.616 -13.526 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.068 17.760 -13.013 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.540 17.643 -14.284 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.431 19.701 -11.862 1.00 25.00 H new ATOM 0 HE1 PHE A 125 60.731 19.084 -13.363 1.00 25.00 H new ATOM 0 HE2 PHE A 125 63.617 21.117 -10.892 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.262 20.808 -11.648 1.00 25.00 H new ATOM 728 N GLU A 126 66.278 20.117 -15.711 1.00 25.00 N ATOM 729 CA GLU A 126 67.228 21.213 -15.912 1.00 25.00 C ATOM 730 C GLU A 126 67.695 21.793 -14.582 1.00 25.00 C ATOM 731 O GLU A 126 66.919 21.902 -13.629 1.00 25.00 O ATOM 732 CB GLU A 126 66.604 22.357 -16.725 1.00 25.00 C ATOM 733 CG GLU A 126 65.783 21.925 -17.937 1.00 25.00 C ATOM 734 CD GLU A 126 64.363 21.529 -17.551 1.00 25.00 C ATOM 735 OE1 GLU A 126 63.609 22.405 -17.073 1.00 25.00 O ATOM 736 OE2 GLU A 126 64.044 20.332 -17.606 1.00 25.00 O1- ATOM 0 H GLU A 126 65.323 20.327 -16.001 1.00 25.00 H new ATOM 0 HA GLU A 126 68.073 20.788 -16.454 1.00 25.00 H new ATOM 0 HB2 GLU A 126 65.965 22.943 -16.065 1.00 25.00 H new ATOM 0 HB3 GLU A 126 67.402 23.017 -17.064 1.00 25.00 H new ATOM 0 HG2 GLU A 126 65.749 22.739 -18.661 1.00 25.00 H new ATOM 0 HG3 GLU A 126 66.274 21.084 -18.427 1.00 25.00 H new ATOM 743 N LEU A 127 68.935 22.253 -14.532 1.00 25.00 N ATOM 744 CA LEU A 127 69.447 22.913 -13.332 1.00 25.00 C ATOM 745 C LEU A 127 68.662 24.190 -13.058 1.00 25.00 C ATOM 746 O LEU A 127 68.457 24.564 -11.907 1.00 25.00 O ATOM 747 CB LEU A 127 70.906 23.299 -13.513 1.00 25.00 C ATOM 748 CG LEU A 127 71.899 22.920 -12.413 1.00 25.00 C ATOM 749 CD1 LEU A 127 73.224 23.571 -12.773 1.00 25.00 C ATOM 750 CD2 LEU A 127 71.468 23.389 -11.019 1.00 25.00 C ATOM 0 H LEU A 127 69.604 22.185 -15.299 1.00 25.00 H new ATOM 0 HA LEU A 127 69.344 22.214 -12.502 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.255 22.852 -14.444 1.00 25.00 H new ATOM 0 HB3 LEU A 127 70.950 24.380 -13.642 1.00 25.00 H new ATOM 0 HG LEU A 127 71.964 21.833 -12.362 1.00 25.00 H new ATOM 0 HD11 LEU A 127 73.967 23.328 -12.014 1.00 25.00 H new ATOM 0 HD12 LEU A 127 73.560 23.201 -13.741 1.00 25.00 H new ATOM 0 HD13 LEU A 127 73.096 24.652 -12.823 1.00 25.00 H new ATOM 0 HD21 LEU A 127 72.216 23.088 -10.286 1.00 25.00 H new ATOM 0 HD22 LEU A 127 71.372 24.475 -11.014 1.00 25.00 H new ATOM 0 HD23 LEU A 127 70.509 22.939 -10.764 1.00 25.00 H new ATOM 762 N HIS A 128 68.237 24.864 -14.118 1.00 25.00 N ATOM 763 CA HIS A 128 67.453 26.091 -13.979 1.00 25.00 C ATOM 764 C HIS A 128 66.142 25.789 -13.249 1.00 25.00 C ATOM 765 O HIS A 128 65.680 26.561 -12.410 1.00 25.00 O ATOM 766 CB HIS A 128 67.149 26.691 -15.354 1.00 25.00 C ATOM 767 CG HIS A 128 66.738 28.132 -15.304 1.00 25.00 C ATOM 768 ND1 HIS A 128 65.636 28.604 -14.634 1.00 25.00 N ATOM 769 CD2 HIS A 128 67.316 29.236 -15.852 1.00 25.00 C ATOM 770 CE1 HIS A 128 65.584 29.923 -14.790 1.00 25.00 C ATOM 771 NE2 HIS A 128 66.591 30.363 -15.519 1.00 25.00 N ATOM 0 H HIS A 128 68.419 24.586 -15.082 1.00 25.00 H new ATOM 0 HA HIS A 128 68.033 26.811 -13.402 1.00 25.00 H new ATOM 0 HB2 HIS A 128 68.032 26.596 -15.986 1.00 25.00 H new ATOM 0 HB3 HIS A 128 66.355 26.112 -15.826 1.00 25.00 H new ATOM 0 HD1 HIS A 128 64.971 28.039 -14.107 1.00 25.00 H new ATOM 0 HD2 HIS A 128 68.210 29.231 -16.458 1.00 25.00 H new ATOM 0 HE1 HIS A 128 64.814 30.555 -14.372 1.00 25.00 H new ATOM 779 N ASN A 129 65.563 24.641 -13.561 1.00 25.00 N ATOM 780 CA ASN A 129 64.319 24.214 -12.942 1.00 25.00 C ATOM 781 C ASN A 129 64.583 23.778 -11.498 1.00 25.00 C ATOM 782 O ASN A 129 63.864 24.149 -10.578 1.00 25.00 O ATOM 783 CB ASN A 129 63.740 23.058 -13.759 1.00 25.00 C ATOM 784 CG ASN A 129 62.239 23.011 -13.715 1.00 25.00 C ATOM 785 OD1 ASN A 129 61.625 23.358 -12.720 1.00 25.00 O ATOM 786 ND2 ASN A 129 61.640 22.613 -14.802 1.00 25.00 N ATOM 0 H ASN A 129 65.938 23.984 -14.245 1.00 25.00 H new ATOM 0 HA ASN A 129 63.604 25.036 -12.923 1.00 25.00 H new ATOM 0 HB2 ASN A 129 64.066 23.152 -14.795 1.00 25.00 H new ATOM 0 HB3 ASN A 129 64.140 22.116 -13.383 1.00 25.00 H new ATOM 0 HD21 ASN A 129 60.621 22.584 -14.841 1.00 25.00 H new ATOM 0 HD22 ASN A 129 62.190 22.331 -15.613 1.00 25.00 H new ATOM 793 N PHE A 130 65.665 23.041 -11.290 1.00 25.00 N ATOM 794 CA PHE A 130 66.040 22.575 -9.955 1.00 25.00 C ATOM 795 C PHE A 130 66.301 23.726 -8.985 1.00 25.00 C ATOM 796 O PHE A 130 65.842 23.695 -7.844 1.00 25.00 O ATOM 797 CB PHE A 130 67.279 21.687 -10.053 1.00 25.00 C ATOM 798 CG PHE A 130 67.711 21.092 -8.733 1.00 25.00 C ATOM 799 CD1 PHE A 130 66.810 20.337 -7.954 1.00 25.00 C ATOM 800 CD2 PHE A 130 69.027 21.275 -8.265 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.219 19.762 -6.724 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.446 20.706 -7.038 1.00 25.00 C ATOM 803 CZ PHE A 130 68.539 19.946 -6.267 1.00 25.00 C ATOM 0 H PHE A 130 66.304 22.750 -12.030 1.00 25.00 H new ATOM 0 HA PHE A 130 65.199 22.006 -9.559 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.080 20.879 -10.757 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.102 22.272 -10.463 1.00 25.00 H new ATOM 0 HD1 PHE A 130 65.796 20.195 -8.298 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.725 21.856 -8.849 1.00 25.00 H new ATOM 0 HE1 PHE A 130 66.520 19.184 -6.138 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.458 20.853 -6.692 1.00 25.00 H new ATOM 0 HZ PHE A 130 68.856 19.508 -5.332 1.00 25.00 H new ATOM 813 N ARG A 131 67.007 24.761 -9.429 1.00 25.00 N ATOM 814 CA ARG A 131 67.269 25.902 -8.549 1.00 25.00 C ATOM 815 C ARG A 131 65.986 26.659 -8.234 1.00 25.00 C ATOM 816 O ARG A 131 65.864 27.218 -7.155 1.00 25.00 O ATOM 817 CB ARG A 131 68.341 26.856 -9.109 1.00 25.00 C ATOM 818 CG ARG A 131 67.940 27.634 -10.363 1.00 25.00 C ATOM 819 CD ARG A 131 68.930 28.743 -10.681 1.00 25.00 C ATOM 820 NE ARG A 131 70.274 28.229 -10.999 1.00 25.00 N ATOM 821 CZ ARG A 131 71.326 28.985 -11.295 1.00 25.00 C ATOM 822 NH1 ARG A 131 71.256 30.292 -11.341 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 72.471 28.417 -11.546 1.00 25.00 N ATOM 0 H ARG A 131 67.400 24.837 -10.367 1.00 25.00 H new ATOM 0 HA ARG A 131 67.667 25.489 -7.622 1.00 25.00 H new ATOM 0 HB2 ARG A 131 68.610 27.570 -8.330 1.00 25.00 H new ATOM 0 HB3 ARG A 131 69.237 26.277 -9.333 1.00 25.00 H new ATOM 0 HG2 ARG A 131 67.876 26.950 -11.210 1.00 25.00 H new ATOM 0 HG3 ARG A 131 66.947 28.062 -10.223 1.00 25.00 H new ATOM 0 HD2 ARG A 131 68.559 29.325 -11.524 1.00 25.00 H new ATOM 0 HD3 ARG A 131 68.996 29.421 -9.830 1.00 25.00 H new ATOM 0 HE ARG A 131 70.407 27.218 -10.991 1.00 25.00 H new ATOM 0 HH11 ARG A 131 70.372 30.763 -11.146 1.00 25.00 H new ATOM 0 HH12 ARG A 131 72.085 30.839 -11.572 1.00 25.00 H new ATOM 0 HH21 ARG A 131 72.554 27.401 -11.514 1.00 25.00 H new ATOM 0 HH22 ARG A 131 73.285 28.988 -11.774 1.00 25.00 H new ATOM 837 N ALA A 132 65.020 26.656 -9.143 1.00 25.00 N ATOM 838 CA ALA A 132 63.747 27.328 -8.892 1.00 25.00 C ATOM 839 C ALA A 132 62.967 26.527 -7.846 1.00 25.00 C ATOM 840 O ALA A 132 62.367 27.089 -6.938 1.00 25.00 O ATOM 841 CB ALA A 132 62.940 27.446 -10.195 1.00 25.00 C ATOM 0 H ALA A 132 65.090 26.201 -10.053 1.00 25.00 H new ATOM 0 HA ALA A 132 63.928 28.336 -8.518 1.00 25.00 H new ATOM 0 HB1 ALA A 132 61.994 27.949 -9.993 1.00 25.00 H new ATOM 0 HB2 ALA A 132 63.509 28.023 -10.924 1.00 25.00 H new ATOM 0 HB3 ALA A 132 62.744 26.450 -10.593 1.00 25.00 H new ATOM 847 N LEU A 133 63.018 25.208 -7.958 1.00 25.00 N ATOM 848 CA LEU A 133 62.350 24.330 -7.001 1.00 25.00 C ATOM 849 C LEU A 133 62.924 24.518 -5.600 1.00 25.00 C ATOM 850 O LEU A 133 62.180 24.621 -4.633 1.00 25.00 O ATOM 851 CB LEU A 133 62.513 22.864 -7.422 1.00 25.00 C ATOM 852 CG LEU A 133 61.263 22.170 -7.977 1.00 25.00 C ATOM 853 CD1 LEU A 133 60.813 22.781 -9.305 1.00 25.00 C ATOM 854 CD2 LEU A 133 61.567 20.683 -8.168 1.00 25.00 C ATOM 0 H LEU A 133 63.515 24.719 -8.702 1.00 25.00 H new ATOM 0 HA LEU A 133 61.292 24.590 -6.988 1.00 25.00 H new ATOM 0 HB2 LEU A 133 63.297 22.811 -8.177 1.00 25.00 H new ATOM 0 HB3 LEU A 133 62.863 22.298 -6.559 1.00 25.00 H new ATOM 0 HG LEU A 133 60.450 22.306 -7.264 1.00 25.00 H new ATOM 0 HD11 LEU A 133 59.925 22.260 -9.663 1.00 25.00 H new ATOM 0 HD12 LEU A 133 60.581 23.836 -9.160 1.00 25.00 H new ATOM 0 HD13 LEU A 133 61.612 22.683 -10.040 1.00 25.00 H new ATOM 0 HD21 LEU A 133 60.685 20.179 -8.562 1.00 25.00 H new ATOM 0 HD22 LEU A 133 62.394 20.568 -8.868 1.00 25.00 H new ATOM 0 HD23 LEU A 133 61.839 20.241 -7.209 1.00 25.00 H new ATOM 866 N CYS A 134 64.245 24.578 -5.478 1.00 25.00 N ATOM 867 CA CYS A 134 64.842 24.740 -4.154 1.00 25.00 C ATOM 868 C CYS A 134 64.662 26.165 -3.633 1.00 25.00 C ATOM 869 O CYS A 134 64.646 26.374 -2.429 1.00 25.00 O ATOM 870 CB CYS A 134 66.320 24.332 -4.140 1.00 25.00 C ATOM 871 SG CYS A 134 67.453 25.476 -4.957 1.00 25.00 S ATOM 0 H CYS A 134 64.907 24.519 -6.252 1.00 25.00 H new ATOM 0 HA CYS A 134 64.312 24.067 -3.480 1.00 25.00 H new ATOM 0 HB2 CYS A 134 66.636 24.214 -3.104 1.00 25.00 H new ATOM 0 HB3 CYS A 134 66.413 23.355 -4.615 1.00 25.00 H new ATOM 0 HG CYS A 134 66.792 26.216 -5.797 1.00 25.00 H new ATOM 877 N GLU A 135 64.510 27.135 -4.527 1.00 25.00 N ATOM 878 CA GLU A 135 64.249 28.514 -4.111 1.00 25.00 C ATOM 879 C GLU A 135 62.861 28.573 -3.483 1.00 25.00 C ATOM 880 O GLU A 135 62.671 29.158 -2.418 1.00 25.00 O ATOM 881 CB GLU A 135 64.315 29.474 -5.313 1.00 25.00 C ATOM 882 CG GLU A 135 64.226 30.940 -4.918 1.00 25.00 C ATOM 883 CD GLU A 135 64.272 31.905 -6.103 1.00 25.00 C ATOM 884 OE1 GLU A 135 64.321 31.446 -7.266 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 64.348 33.140 -5.861 1.00 25.00 O1- ATOM 0 H GLU A 135 64.562 26.998 -5.536 1.00 25.00 H new ATOM 0 HA GLU A 135 65.008 28.822 -3.392 1.00 25.00 H new ATOM 0 HB2 GLU A 135 65.247 29.306 -5.852 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.502 29.240 -6.001 1.00 25.00 H new ATOM 0 HG2 GLU A 135 63.300 31.102 -4.366 1.00 25.00 H new ATOM 0 HG3 GLU A 135 65.047 31.174 -4.240 1.00 25.00 H new ATOM 892 N LEU A 136 61.906 27.924 -4.136 1.00 25.00 N ATOM 893 CA LEU A 136 60.522 27.894 -3.673 1.00 25.00 C ATOM 894 C LEU A 136 60.405 27.185 -2.327 1.00 25.00 C ATOM 895 O LEU A 136 59.730 27.671 -1.426 1.00 25.00 O ATOM 896 CB LEU A 136 59.650 27.174 -4.714 1.00 25.00 C ATOM 897 CG LEU A 136 58.141 27.097 -4.437 1.00 25.00 C ATOM 898 CD1 LEU A 136 57.490 28.486 -4.439 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.482 26.212 -5.499 1.00 25.00 C ATOM 0 H LEU A 136 62.067 27.405 -4.999 1.00 25.00 H new ATOM 0 HA LEU A 136 60.180 28.921 -3.547 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.792 27.670 -5.674 1.00 25.00 H new ATOM 0 HB3 LEU A 136 60.025 26.156 -4.823 1.00 25.00 H new ATOM 0 HG LEU A 136 57.996 26.669 -3.445 1.00 25.00 H new ATOM 0 HD11 LEU A 136 56.423 28.388 -4.239 1.00 25.00 H new ATOM 0 HD12 LEU A 136 57.948 29.104 -3.667 1.00 25.00 H new ATOM 0 HD13 LEU A 136 57.636 28.955 -5.412 1.00 25.00 H new ATOM 0 HD21 LEU A 136 56.410 26.152 -5.309 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.652 26.641 -6.487 1.00 25.00 H new ATOM 0 HD23 LEU A 136 57.914 25.212 -5.458 1.00 25.00 H new ATOM 911 N GLU A 137 61.069 26.048 -2.197 1.00 25.00 N ATOM 912 CA GLU A 137 61.019 25.266 -0.961 1.00 25.00 C ATOM 913 C GLU A 137 61.720 25.995 0.192 1.00 25.00 C ATOM 914 O GLU A 137 61.235 26.014 1.316 1.00 25.00 O ATOM 915 CB GLU A 137 61.684 23.901 -1.192 1.00 25.00 C ATOM 916 CG GLU A 137 61.428 22.874 -0.082 1.00 25.00 C ATOM 917 CD GLU A 137 59.989 22.367 -0.074 1.00 25.00 C ATOM 918 OE1 GLU A 137 59.513 21.903 -1.135 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 59.346 22.402 0.996 1.00 25.00 O1- ATOM 0 H GLU A 137 61.651 25.641 -2.930 1.00 25.00 H new ATOM 0 HA GLU A 137 59.973 25.129 -0.686 1.00 25.00 H new ATOM 0 HB2 GLU A 137 61.327 23.492 -2.137 1.00 25.00 H new ATOM 0 HB3 GLU A 137 62.759 24.047 -1.294 1.00 25.00 H new ATOM 0 HG2 GLU A 137 62.106 22.030 -0.209 1.00 25.00 H new ATOM 0 HG3 GLU A 137 61.656 23.324 0.884 1.00 25.00 H new ATOM 926 N SER A 138 62.863 26.608 -0.090 1.00 25.00 N ATOM 927 CA SER A 138 63.623 27.303 0.951 1.00 25.00 C ATOM 928 C SER A 138 63.030 28.670 1.295 1.00 25.00 C ATOM 929 O SER A 138 63.292 29.202 2.376 1.00 25.00 O ATOM 930 CB SER A 138 65.076 27.489 0.523 1.00 25.00 C ATOM 931 OG SER A 138 65.835 28.048 1.582 1.00 25.00 O ATOM 0 H SER A 138 63.284 26.641 -1.019 1.00 25.00 H new ATOM 0 HA SER A 138 63.570 26.675 1.840 1.00 25.00 H new ATOM 0 HB2 SER A 138 65.501 26.529 0.230 1.00 25.00 H new ATOM 0 HB3 SER A 138 65.124 28.139 -0.350 1.00 25.00 H new ATOM 0 HG SER A 138 66.777 27.802 1.474 1.00 25.00 H new ATOM 937 N GLY A 139 62.260 29.249 0.382 1.00 25.00 N ATOM 938 CA GLY A 139 61.617 30.529 0.641 1.00 25.00 C ATOM 939 C GLY A 139 62.572 31.703 0.747 1.00 25.00 C ATOM 940 O GLY A 139 62.326 32.638 1.513 1.00 25.00 O ATOM 0 H GLY A 139 62.067 28.855 -0.539 1.00 25.00 H new ATOM 0 HA2 GLY A 139 60.902 30.730 -0.157 1.00 25.00 H new ATOM 0 HA3 GLY A 139 61.048 30.455 1.568 1.00 25.00 H new ATOM 944 N ILE A 140 63.669 31.668 0.000 1.00 25.00 N ATOM 945 CA ILE A 140 64.664 32.747 0.038 1.00 25.00 C ATOM 946 C ILE A 140 64.913 33.294 -1.366 1.00 25.00 C ATOM 947 O ILE A 140 64.784 32.570 -2.334 1.00 25.00 O ATOM 948 CB ILE A 140 66.021 32.260 0.643 1.00 25.00 C ATOM 949 CG1 ILE A 140 66.634 31.112 -0.193 1.00 25.00 C ATOM 950 CG2 ILE A 140 65.821 31.823 2.113 1.00 25.00 C ATOM 951 CD1 ILE A 140 68.088 30.791 0.146 1.00 25.00 C ATOM 0 H ILE A 140 63.897 30.908 -0.640 1.00 25.00 H new ATOM 0 HA ILE A 140 64.260 33.533 0.676 1.00 25.00 H new ATOM 0 HB ILE A 140 66.723 33.093 0.616 1.00 25.00 H new ATOM 0 HG12 ILE A 140 66.033 30.214 -0.049 1.00 25.00 H new ATOM 0 HG13 ILE A 140 66.569 31.373 -1.249 1.00 25.00 H new ATOM 0 HG21 ILE A 140 66.772 31.486 2.525 1.00 25.00 H new ATOM 0 HG22 ILE A 140 65.452 32.667 2.696 1.00 25.00 H new ATOM 0 HG23 ILE A 140 65.098 31.008 2.155 1.00 25.00 H new ATOM 0 HD11 ILE A 140 68.438 29.975 -0.487 1.00 25.00 H new ATOM 0 HD12 ILE A 140 68.705 31.673 -0.026 1.00 25.00 H new ATOM 0 HD13 ILE A 140 68.161 30.495 1.193 1.00 25.00 H new ATOM 963 N PRO A 141 65.276 34.584 -1.496 1.00 25.00 N ATOM 964 CA PRO A 141 65.563 35.037 -2.865 1.00 25.00 C ATOM 965 C PRO A 141 66.854 34.426 -3.422 1.00 25.00 C ATOM 966 O PRO A 141 67.919 34.535 -2.797 1.00 25.00 O ATOM 967 CB PRO A 141 65.738 36.560 -2.699 1.00 25.00 C ATOM 968 CG PRO A 141 65.123 36.878 -1.364 1.00 25.00 C ATOM 969 CD PRO A 141 65.442 35.682 -0.529 1.00 25.00 C ATOM 0 HA PRO A 141 64.778 34.747 -3.563 1.00 25.00 H new ATOM 0 HB2 PRO A 141 66.791 36.842 -2.726 1.00 25.00 H new ATOM 0 HB3 PRO A 141 65.242 37.104 -3.502 1.00 25.00 H new ATOM 0 HG2 PRO A 141 65.544 37.788 -0.936 1.00 25.00 H new ATOM 0 HG3 PRO A 141 64.047 37.033 -1.446 1.00 25.00 H new ATOM 0 HD2 PRO A 141 66.454 35.723 -0.127 1.00 25.00 H new ATOM 0 HD3 PRO A 141 64.766 35.584 0.320 1.00 25.00 H new ATOM 977 N ALA A 142 66.789 33.824 -4.603 1.00 25.00 N ATOM 978 CA ALA A 142 67.975 33.239 -5.232 1.00 25.00 C ATOM 979 C ALA A 142 69.008 34.317 -5.575 1.00 25.00 C ATOM 980 O ALA A 142 70.197 34.041 -5.642 1.00 25.00 O ATOM 981 CB ALA A 142 67.579 32.469 -6.494 1.00 25.00 C ATOM 0 H ALA A 142 65.931 33.726 -5.147 1.00 25.00 H new ATOM 0 HA ALA A 142 68.428 32.549 -4.520 1.00 25.00 H new ATOM 0 HB1 ALA A 142 68.470 32.039 -6.952 1.00 25.00 H new ATOM 0 HB2 ALA A 142 66.885 31.671 -6.230 1.00 25.00 H new ATOM 0 HB3 ALA A 142 67.100 33.148 -7.199 1.00 25.00 H new ATOM 987 N ALA A 143 68.546 35.545 -5.764 1.00 25.00 N ATOM 988 CA ALA A 143 69.432 36.665 -6.086 1.00 25.00 C ATOM 989 C ALA A 143 70.448 36.931 -4.966 1.00 25.00 C ATOM 990 O ALA A 143 71.545 37.416 -5.213 1.00 25.00 O ATOM 991 CB ALA A 143 68.590 37.919 -6.339 1.00 25.00 C ATOM 0 H ALA A 143 67.559 35.796 -5.701 1.00 25.00 H new ATOM 0 HA ALA A 143 69.996 36.406 -6.982 1.00 25.00 H new ATOM 0 HB1 ALA A 143 69.246 38.756 -6.579 1.00 25.00 H new ATOM 0 HB2 ALA A 143 67.911 37.739 -7.173 1.00 25.00 H new ATOM 0 HB3 ALA A 143 68.012 38.156 -5.445 1.00 25.00 H new ATOM 997 N GLU A 144 70.070 36.595 -3.740 1.00 25.00 N ATOM 998 CA GLU A 144 70.908 36.839 -2.567 1.00 25.00 C ATOM 999 C GLU A 144 71.698 35.592 -2.159 1.00 25.00 C ATOM 1000 O GLU A 144 72.207 35.511 -1.042 1.00 25.00 O ATOM 1001 CB GLU A 144 70.021 37.280 -1.395 1.00 25.00 C ATOM 1002 CG GLU A 144 69.249 38.573 -1.654 1.00 25.00 C ATOM 1003 CD GLU A 144 70.166 39.751 -1.952 1.00 25.00 C ATOM 1004 OE1 GLU A 144 71.106 39.995 -1.162 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 69.934 40.441 -2.965 1.00 25.00 O1- ATOM 0 H GLU A 144 69.178 36.147 -3.528 1.00 25.00 H new ATOM 0 HA GLU A 144 71.623 37.620 -2.824 1.00 25.00 H new ATOM 0 HB2 GLU A 144 69.311 36.484 -1.170 1.00 25.00 H new ATOM 0 HB3 GLU A 144 70.644 37.412 -0.510 1.00 25.00 H new ATOM 0 HG2 GLU A 144 68.570 38.425 -2.493 1.00 25.00 H new ATOM 0 HG3 GLU A 144 68.635 38.806 -0.784 1.00 25.00 H new ATOM 1012 N SER A 145 71.763 34.590 -3.027 1.00 25.00 N ATOM 1013 CA SER A 145 72.416 33.329 -2.678 1.00 25.00 C ATOM 1014 C SER A 145 73.079 32.652 -3.875 1.00 25.00 C ATOM 1015 O SER A 145 72.914 33.070 -5.015 1.00 25.00 O ATOM 1016 CB SER A 145 71.378 32.391 -2.062 1.00 25.00 C ATOM 1017 OG SER A 145 70.365 32.076 -2.996 1.00 25.00 O ATOM 0 H SER A 145 71.376 34.622 -3.970 1.00 25.00 H new ATOM 0 HA SER A 145 73.210 33.553 -1.966 1.00 25.00 H new ATOM 0 HB2 SER A 145 71.864 31.476 -1.724 1.00 25.00 H new ATOM 0 HB3 SER A 145 70.935 32.859 -1.183 1.00 25.00 H new ATOM 0 HG SER A 145 69.634 31.608 -2.541 1.00 25.00 H new ATOM 1023 N GLN A 146 73.848 31.603 -3.605 1.00 25.00 N ATOM 1024 CA GLN A 146 74.503 30.814 -4.656 1.00 25.00 C ATOM 1025 C GLN A 146 74.373 29.345 -4.288 1.00 25.00 C ATOM 1026 O GLN A 146 74.303 29.015 -3.115 1.00 25.00 O ATOM 1027 CB GLN A 146 75.985 31.192 -4.767 1.00 25.00 C ATOM 1028 CG GLN A 146 76.224 32.538 -5.449 1.00 25.00 C ATOM 1029 CD GLN A 146 75.854 32.508 -6.920 1.00 25.00 C ATOM 1030 OE1 GLN A 146 76.499 31.835 -7.713 1.00 25.00 O ATOM 1031 NE2 GLN A 146 74.823 33.215 -7.288 1.00 25.00 N ATOM 0 H GLN A 146 74.038 31.272 -2.659 1.00 25.00 H new ATOM 0 HA GLN A 146 74.031 31.012 -5.618 1.00 25.00 H new ATOM 0 HB2 GLN A 146 76.420 31.218 -3.768 1.00 25.00 H new ATOM 0 HB3 GLN A 146 76.509 30.414 -5.323 1.00 25.00 H new ATOM 0 HG2 GLN A 146 75.640 33.308 -4.945 1.00 25.00 H new ATOM 0 HG3 GLN A 146 77.273 32.815 -5.345 1.00 25.00 H new ATOM 0 HE21 GLN A 146 74.309 33.764 -6.599 1.00 25.00 H new ATOM 0 HE22 GLN A 146 74.530 33.219 -8.265 1.00 25.00 H new ATOM 1040 N ILE A 147 74.352 28.466 -5.279 1.00 25.00 N ATOM 1041 CA ILE A 147 74.189 27.029 -5.037 1.00 25.00 C ATOM 1042 C ILE A 147 75.441 26.281 -5.540 1.00 25.00 C ATOM 1043 O ILE A 147 75.986 26.580 -6.614 1.00 25.00 O ATOM 1044 CB ILE A 147 72.837 26.521 -5.657 1.00 25.00 C ATOM 1045 CG1 ILE A 147 72.538 25.083 -5.187 1.00 25.00 C ATOM 1046 CG2 ILE A 147 72.833 26.658 -7.200 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.241 24.480 -5.774 1.00 25.00 C ATOM 0 H ILE A 147 74.446 28.718 -6.263 1.00 25.00 H new ATOM 0 HA ILE A 147 74.114 26.822 -3.970 1.00 25.00 H new ATOM 0 HB ILE A 147 72.028 27.156 -5.295 1.00 25.00 H new ATOM 0 HG12 ILE A 147 73.378 24.443 -5.457 1.00 25.00 H new ATOM 0 HG13 ILE A 147 72.469 25.075 -4.099 1.00 25.00 H new ATOM 0 HG21 ILE A 147 71.883 26.297 -7.595 1.00 25.00 H new ATOM 0 HG22 ILE A 147 72.965 27.705 -7.473 1.00 25.00 H new ATOM 0 HG23 ILE A 147 73.648 26.068 -7.620 1.00 25.00 H new ATOM 0 HD11 ILE A 147 71.105 23.468 -5.393 1.00 25.00 H new ATOM 0 HD12 ILE A 147 70.389 25.095 -5.482 1.00 25.00 H new ATOM 0 HD13 ILE A 147 71.312 24.452 -6.861 1.00 25.00 H new ATOM 1059 N VAL A 148 75.958 25.409 -4.684 1.00 25.00 N ATOM 1060 CA VAL A 148 77.258 24.759 -4.869 1.00 25.00 C ATOM 1061 C VAL A 148 77.118 23.239 -4.741 1.00 25.00 C ATOM 1062 O VAL A 148 76.405 22.754 -3.876 1.00 25.00 O ATOM 1063 CB VAL A 148 78.247 25.281 -3.762 1.00 25.00 C ATOM 1064 CG1 VAL A 148 79.632 24.633 -3.875 1.00 25.00 C ATOM 1065 CG2 VAL A 148 78.393 26.815 -3.856 1.00 25.00 C ATOM 0 H VAL A 148 75.482 25.126 -3.827 1.00 25.00 H new ATOM 0 HA VAL A 148 77.639 24.995 -5.863 1.00 25.00 H new ATOM 0 HB VAL A 148 77.822 25.005 -2.797 1.00 25.00 H new ATOM 0 HG11 VAL A 148 80.281 25.023 -3.091 1.00 25.00 H new ATOM 0 HG12 VAL A 148 79.538 23.553 -3.764 1.00 25.00 H new ATOM 0 HG13 VAL A 148 80.062 24.862 -4.850 1.00 25.00 H new ATOM 0 HG21 VAL A 148 79.080 27.163 -3.085 1.00 25.00 H new ATOM 0 HG22 VAL A 148 78.783 27.084 -4.838 1.00 25.00 H new ATOM 0 HG23 VAL A 148 77.419 27.283 -3.712 1.00 25.00 H new ATOM 1075 N TYR A 149 77.822 22.497 -5.582 1.00 25.00 N ATOM 1076 CA TYR A 149 77.829 21.034 -5.531 1.00 25.00 C ATOM 1077 C TYR A 149 79.251 20.580 -5.813 1.00 25.00 C ATOM 1078 O TYR A 149 79.919 21.172 -6.657 1.00 25.00 O ATOM 1079 CB TYR A 149 76.887 20.484 -6.592 1.00 25.00 C ATOM 1080 CG TYR A 149 77.149 19.048 -6.978 1.00 25.00 C ATOM 1081 CD1 TYR A 149 76.994 17.991 -6.050 1.00 25.00 C ATOM 1082 CD2 TYR A 149 77.554 18.732 -8.289 1.00 25.00 C ATOM 1083 CE1 TYR A 149 77.240 16.642 -6.442 1.00 25.00 C ATOM 1084 CE2 TYR A 149 77.789 17.397 -8.675 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.628 16.365 -7.756 1.00 25.00 C ATOM 1086 OH TYR A 149 77.851 15.080 -8.174 1.00 25.00 O ATOM 0 H TYR A 149 78.406 22.887 -6.321 1.00 25.00 H new ATOM 0 HA TYR A 149 77.498 20.674 -4.557 1.00 25.00 H new ATOM 0 HB2 TYR A 149 75.863 20.568 -6.229 1.00 25.00 H new ATOM 0 HB3 TYR A 149 76.962 21.106 -7.484 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.687 18.207 -5.037 1.00 25.00 H new ATOM 0 HD2 TYR A 149 77.687 19.525 -9.010 1.00 25.00 H new ATOM 0 HE1 TYR A 149 77.127 15.840 -5.728 1.00 25.00 H new ATOM 0 HE2 TYR A 149 78.095 17.175 -9.687 1.00 25.00 H new ATOM 0 HH TYR A 149 77.812 15.043 -9.152 1.00 25.00 H new ATOM 1096 N ALA A 150 79.724 19.580 -5.071 1.00 25.00 N ATOM 1097 CA ALA A 150 81.101 19.076 -5.193 1.00 25.00 C ATOM 1098 C ALA A 150 82.119 20.227 -5.106 1.00 25.00 C ATOM 1099 O ALA A 150 83.065 20.303 -5.889 1.00 25.00 O ATOM 1100 CB ALA A 150 81.263 18.282 -6.509 1.00 25.00 C ATOM 0 H ALA A 150 79.168 19.093 -4.368 1.00 25.00 H new ATOM 0 HA ALA A 150 81.299 18.401 -4.360 1.00 25.00 H new ATOM 0 HB1 ALA A 150 82.286 17.914 -6.588 1.00 25.00 H new ATOM 0 HB2 ALA A 150 80.573 17.439 -6.512 1.00 25.00 H new ATOM 0 HB3 ALA A 150 81.045 18.933 -7.356 1.00 25.00 H new ATOM 1106 N GLU A 151 81.855 21.137 -4.170 1.00 25.00 N ATOM 1107 CA GLU A 151 82.662 22.349 -3.917 1.00 25.00 C ATOM 1108 C GLU A 151 82.781 23.318 -5.115 1.00 25.00 C ATOM 1109 O GLU A 151 83.558 24.269 -5.079 1.00 25.00 O ATOM 1110 CB GLU A 151 84.058 21.980 -3.388 1.00 25.00 C ATOM 1111 CG GLU A 151 84.019 21.165 -2.098 1.00 25.00 C ATOM 1112 CD GLU A 151 85.404 20.976 -1.498 1.00 25.00 C ATOM 1113 OE1 GLU A 151 86.026 21.984 -1.100 1.00 25.00 O ATOM 1114 OE2 GLU A 151 85.865 19.816 -1.413 1.00 25.00 O1- ATOM 0 H GLU A 151 81.053 21.057 -3.544 1.00 25.00 H new ATOM 0 HA GLU A 151 82.107 22.897 -3.155 1.00 25.00 H new ATOM 0 HB2 GLU A 151 84.590 21.413 -4.152 1.00 25.00 H new ATOM 0 HB3 GLU A 151 84.627 22.894 -3.215 1.00 25.00 H new ATOM 0 HG2 GLU A 151 83.376 21.664 -1.374 1.00 25.00 H new ATOM 0 HG3 GLU A 151 83.575 20.190 -2.299 1.00 25.00 H new ATOM 1121 N ARG A 152 81.978 23.112 -6.154 1.00 25.00 N ATOM 1122 CA ARG A 152 81.993 23.978 -7.338 1.00 25.00 C ATOM 1123 C ARG A 152 80.635 24.658 -7.521 1.00 25.00 C ATOM 1124 O ARG A 152 79.595 24.035 -7.302 1.00 25.00 O ATOM 1125 CB ARG A 152 82.310 23.142 -8.578 1.00 25.00 C ATOM 1126 CG ARG A 152 83.688 22.501 -8.531 1.00 25.00 C ATOM 1127 CD ARG A 152 83.871 21.522 -9.665 1.00 25.00 C ATOM 1128 NE ARG A 152 85.138 20.788 -9.511 1.00 25.00 N ATOM 1129 CZ ARG A 152 85.599 19.869 -10.351 1.00 25.00 C ATOM 1130 NH1 ARG A 152 84.953 19.526 -11.439 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 86.737 19.287 -10.090 1.00 25.00 N ATOM 0 H ARG A 152 81.303 22.349 -6.204 1.00 25.00 H new ATOM 0 HA ARG A 152 82.757 24.744 -7.201 1.00 25.00 H new ATOM 0 HB2 ARG A 152 81.557 22.362 -8.685 1.00 25.00 H new ATOM 0 HB3 ARG A 152 82.241 23.775 -9.463 1.00 25.00 H new ATOM 0 HG2 ARG A 152 84.454 23.274 -8.587 1.00 25.00 H new ATOM 0 HG3 ARG A 152 83.822 21.988 -7.579 1.00 25.00 H new ATOM 0 HD2 ARG A 152 83.037 20.820 -9.686 1.00 25.00 H new ATOM 0 HD3 ARG A 152 83.865 22.053 -10.617 1.00 25.00 H new ATOM 0 HE ARG A 152 85.708 21.003 -8.693 1.00 25.00 H new ATOM 0 HH11 ARG A 152 84.063 19.970 -11.665 1.00 25.00 H new ATOM 0 HH12 ARG A 152 85.340 18.815 -12.059 1.00 25.00 H new ATOM 0 HH21 ARG A 152 87.259 19.540 -9.251 1.00 25.00 H new ATOM 0 HH22 ARG A 152 87.105 18.579 -10.725 1.00 25.00 H new ATOM 1145 N PRO A 153 80.620 25.945 -7.906 1.00 25.00 N ATOM 1146 CA PRO A 153 79.296 26.537 -8.099 1.00 25.00 C ATOM 1147 C PRO A 153 78.599 25.976 -9.337 1.00 25.00 C ATOM 1148 O PRO A 153 79.229 25.699 -10.360 1.00 25.00 O ATOM 1149 CB PRO A 153 79.607 28.028 -8.249 1.00 25.00 C ATOM 1150 CG PRO A 153 80.967 28.054 -8.852 1.00 25.00 C ATOM 1151 CD PRO A 153 81.695 26.912 -8.194 1.00 25.00 C ATOM 0 HA PRO A 153 78.609 26.324 -7.280 1.00 25.00 H new ATOM 0 HB2 PRO A 153 78.878 28.525 -8.888 1.00 25.00 H new ATOM 0 HB3 PRO A 153 79.588 28.538 -7.286 1.00 25.00 H new ATOM 0 HG2 PRO A 153 80.924 27.926 -9.934 1.00 25.00 H new ATOM 0 HG3 PRO A 153 81.467 29.004 -8.663 1.00 25.00 H new ATOM 0 HD2 PRO A 153 82.453 26.486 -8.851 1.00 25.00 H new ATOM 0 HD3 PRO A 153 82.204 27.230 -7.284 1.00 25.00 H new ATOM 1159 N LEU A 154 77.294 25.807 -9.229 1.00 25.00 N ATOM 1160 CA LEU A 154 76.474 25.249 -10.307 1.00 25.00 C ATOM 1161 C LEU A 154 76.057 26.364 -11.276 1.00 0.00 C ATOM 1162 O LEU A 154 74.888 26.745 -11.348 1.00 25.00 O ATOM 1163 CB LEU A 154 75.243 24.583 -9.692 1.00 25.00 C ATOM 1164 CG LEU A 154 75.497 23.259 -8.948 1.00 25.00 C ATOM 1165 CD1 LEU A 154 74.417 23.040 -7.898 1.00 25.00 C ATOM 1166 CD2 LEU A 154 75.514 22.079 -9.910 1.00 25.00 C ATOM 0 H LEU A 154 76.764 26.051 -8.392 1.00 25.00 H new ATOM 0 HA LEU A 154 77.045 24.508 -10.866 1.00 25.00 H new ATOM 0 HB2 LEU A 154 74.783 25.285 -8.997 1.00 25.00 H new ATOM 0 HB3 LEU A 154 74.519 24.399 -10.486 1.00 25.00 H new ATOM 0 HG LEU A 154 76.473 23.326 -8.467 1.00 25.00 H new ATOM 0 HD11 LEU A 154 74.603 22.102 -7.375 1.00 25.00 H new ATOM 0 HD12 LEU A 154 74.432 23.863 -7.183 1.00 25.00 H new ATOM 0 HD13 LEU A 154 73.442 22.999 -8.383 1.00 25.00 H new ATOM 0 HD21 LEU A 154 75.696 21.159 -9.354 1.00 25.00 H new ATOM 0 HD22 LEU A 154 74.553 22.011 -10.420 1.00 25.00 H new ATOM 0 HD23 LEU A 154 76.306 22.221 -10.646 1.00 25.00 H new ATOM 1178 N THR A 155 77.037 26.932 -11.961 1.00 25.00 N ATOM 1179 CA THR A 155 76.815 28.101 -12.813 1.00 25.00 C ATOM 1180 C THR A 155 76.072 27.829 -14.120 1.00 25.00 C ATOM 1181 O THR A 155 75.225 28.624 -14.525 1.00 25.00 O ATOM 1182 CB THR A 155 78.166 28.741 -13.193 1.00 25.00 C ATOM 1183 OG1 THR A 155 79.034 27.734 -13.722 1.00 25.00 O ATOM 1184 CG2 THR A 155 78.847 29.341 -11.980 1.00 25.00 C ATOM 0 H THR A 155 78.002 26.603 -11.946 1.00 25.00 H new ATOM 0 HA THR A 155 76.186 28.754 -12.209 1.00 25.00 H new ATOM 0 HB THR A 155 77.971 29.523 -13.926 1.00 25.00 H new ATOM 0 HG1 THR A 155 79.893 28.138 -13.966 1.00 25.00 H new ATOM 0 HG21 THR A 155 79.797 29.785 -12.278 1.00 25.00 H new ATOM 0 HG22 THR A 155 78.207 30.110 -11.547 1.00 25.00 H new ATOM 0 HG23 THR A 155 79.027 28.561 -11.241 1.00 25.00 H new ATOM 1192 N ASP A 156 76.408 26.740 -14.801 1.00 25.00 N ATOM 1193 CA ASP A 156 75.824 26.453 -16.114 1.00 25.00 C ATOM 1194 C ASP A 156 74.458 25.788 -15.950 1.00 25.00 C ATOM 1195 O ASP A 156 74.338 24.569 -15.825 1.00 25.00 O ATOM 1196 CB ASP A 156 76.764 25.583 -16.949 1.00 25.00 C ATOM 1197 CG ASP A 156 76.343 25.513 -18.405 1.00 25.00 C ATOM 1198 OD1 ASP A 156 75.237 25.985 -18.743 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 77.139 24.995 -19.222 1.00 25.00 O1- ATOM 0 H ASP A 156 77.076 26.043 -14.473 1.00 25.00 H new ATOM 0 HA ASP A 156 75.685 27.394 -16.646 1.00 25.00 H new ATOM 0 HB2 ASP A 156 77.777 25.981 -16.885 1.00 25.00 H new ATOM 0 HB3 ASP A 156 76.790 24.576 -16.532 1.00 25.00 H new ATOM 1204 N ASN A 157 73.441 26.631 -15.874 1.00 25.00 N ATOM 1205 CA ASN A 157 72.084 26.205 -15.545 1.00 25.00 C ATOM 1206 C ASN A 157 71.358 25.442 -16.653 1.00 25.00 C ATOM 1207 O ASN A 157 70.294 24.872 -16.420 1.00 25.00 O ATOM 1208 CB ASN A 157 71.246 27.435 -15.173 1.00 25.00 C ATOM 1209 CG ASN A 157 70.907 28.291 -16.377 1.00 25.00 C ATOM 1210 OD1 ASN A 157 69.979 28.007 -17.099 1.00 25.00 O ATOM 1211 ND2 ASN A 157 71.657 29.338 -16.586 1.00 25.00 N ATOM 0 H ASN A 157 73.530 27.634 -16.039 1.00 25.00 H new ATOM 0 HA ASN A 157 72.192 25.507 -14.714 1.00 25.00 H new ATOM 0 HB2 ASN A 157 70.324 27.110 -14.691 1.00 25.00 H new ATOM 0 HB3 ASN A 157 71.792 28.036 -14.446 1.00 25.00 H new ATOM 0 HD21 ASN A 157 71.469 29.949 -17.381 1.00 25.00 H new ATOM 0 HD22 ASN A 157 72.431 29.545 -15.955 1.00 25.00 H new ATOM 1218 N HIS A 158 71.916 25.458 -17.853 1.00 25.00 N ATOM 1219 CA HIS A 158 71.252 24.878 -19.019 1.00 25.00 C ATOM 1220 C HIS A 158 71.405 23.363 -19.090 1.00 25.00 C ATOM 1221 O HIS A 158 70.842 22.706 -19.957 1.00 25.00 O ATOM 1222 CB HIS A 158 71.838 25.499 -20.286 1.00 25.00 C ATOM 1223 CG HIS A 158 72.024 26.981 -20.191 1.00 25.00 C ATOM 1224 ND1 HIS A 158 73.227 27.592 -19.941 1.00 25.00 N ATOM 1225 CD2 HIS A 158 71.127 28.000 -20.305 1.00 25.00 C ATOM 1226 CE1 HIS A 158 73.032 28.905 -19.917 1.00 25.00 C ATOM 1227 NE2 HIS A 158 71.769 29.215 -20.126 1.00 25.00 N ATOM 0 H HIS A 158 72.830 25.867 -18.050 1.00 25.00 H new ATOM 0 HA HIS A 158 70.187 25.094 -18.930 1.00 25.00 H new ATOM 0 HB2 HIS A 158 72.800 25.033 -20.499 1.00 25.00 H new ATOM 0 HB3 HIS A 158 71.182 25.276 -21.128 1.00 25.00 H new ATOM 0 HD1 HIS A 158 74.119 27.118 -19.798 1.00 25.00 H new ATOM 0 HD2 HIS A 158 70.073 27.879 -20.505 1.00 25.00 H new ATOM 0 HE1 HIS A 158 73.814 29.631 -19.747 1.00 25.00 H new ATOM 1235 N ARG A 159 72.213 22.810 -18.196 1.00 25.00 N ATOM 1236 CA ARG A 159 72.481 21.373 -18.190 1.00 25.00 C ATOM 1237 C ARG A 159 71.493 20.647 -17.306 1.00 25.00 C ATOM 1238 O ARG A 159 70.957 21.224 -16.362 1.00 25.00 O ATOM 1239 CB ARG A 159 73.884 21.104 -17.661 1.00 25.00 C ATOM 1240 CG ARG A 159 74.960 21.774 -18.460 1.00 25.00 C ATOM 1241 CD ARG A 159 76.327 21.372 -17.962 1.00 25.00 C ATOM 1242 NE ARG A 159 77.344 22.301 -18.470 1.00 25.00 N ATOM 1243 CZ ARG A 159 78.650 22.187 -18.308 1.00 25.00 C ATOM 1244 NH1 ARG A 159 79.196 21.177 -17.673 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 79.415 23.121 -18.792 1.00 25.00 N ATOM 0 H ARG A 159 72.696 23.332 -17.465 1.00 25.00 H new ATOM 0 HA ARG A 159 72.388 21.013 -19.215 1.00 25.00 H new ATOM 0 HB2 ARG A 159 73.945 21.443 -16.627 1.00 25.00 H new ATOM 0 HB3 ARG A 159 74.062 20.029 -17.655 1.00 25.00 H new ATOM 0 HG2 ARG A 159 74.858 21.507 -19.512 1.00 25.00 H new ATOM 0 HG3 ARG A 159 74.848 22.856 -18.394 1.00 25.00 H new ATOM 0 HD2 ARG A 159 76.339 21.369 -16.872 1.00 25.00 H new ATOM 0 HD3 ARG A 159 76.556 20.357 -18.286 1.00 25.00 H new ATOM 0 HE ARG A 159 77.011 23.109 -18.997 1.00 25.00 H new ATOM 0 HH11 ARG A 159 78.607 20.442 -17.282 1.00 25.00 H new ATOM 0 HH12 ARG A 159 80.210 21.127 -17.570 1.00 25.00 H new ATOM 0 HH21 ARG A 159 79.003 23.915 -19.282 1.00 25.00 H new ATOM 0 HH22 ARG A 159 80.427 23.059 -18.682 1.00 25.00 H new ATOM 1259 N SER A 160 71.327 19.364 -17.565 1.00 25.00 N ATOM 1260 CA SER A 160 70.521 18.512 -16.709 1.00 25.00 C ATOM 1261 C SER A 160 71.341 18.114 -15.488 1.00 25.00 C ATOM 1262 O SER A 160 72.570 18.226 -15.487 1.00 25.00 O ATOM 1263 CB SER A 160 70.081 17.263 -17.466 1.00 25.00 C ATOM 1264 OG SER A 160 71.195 16.532 -17.953 1.00 25.00 O ATOM 0 H SER A 160 71.741 18.886 -18.365 1.00 25.00 H new ATOM 0 HA SER A 160 69.631 19.057 -16.394 1.00 25.00 H new ATOM 0 HB2 SER A 160 69.487 16.628 -16.809 1.00 25.00 H new ATOM 0 HB3 SER A 160 69.439 17.548 -18.299 1.00 25.00 H new ATOM 0 HG SER A 160 70.881 15.737 -18.432 1.00 25.00 H new ATOM 1270 N LEU A 161 70.677 17.637 -14.448 1.00 25.00 N ATOM 1271 CA LEU A 161 71.359 17.232 -13.214 1.00 25.00 C ATOM 1272 C LEU A 161 72.227 15.986 -13.459 1.00 25.00 C ATOM 1273 O LEU A 161 73.325 15.828 -12.878 1.00 25.00 O ATOM 1274 CB LEU A 161 70.305 16.971 -12.131 1.00 25.00 C ATOM 1275 CG LEU A 161 69.412 18.191 -11.820 1.00 25.00 C ATOM 1276 CD1 LEU A 161 68.228 17.758 -10.991 1.00 25.00 C ATOM 1277 CD2 LEU A 161 70.170 19.310 -11.098 1.00 25.00 C ATOM 0 H LEU A 161 69.664 17.518 -14.427 1.00 25.00 H new ATOM 0 HA LEU A 161 72.024 18.029 -12.881 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.672 16.141 -12.446 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.808 16.659 -11.216 1.00 25.00 H new ATOM 0 HG LEU A 161 69.076 18.596 -12.775 1.00 25.00 H new ATOM 0 HD11 LEU A 161 67.600 18.622 -10.774 1.00 25.00 H new ATOM 0 HD12 LEU A 161 67.648 17.018 -11.543 1.00 25.00 H new ATOM 0 HD13 LEU A 161 68.579 17.320 -10.056 1.00 25.00 H new ATOM 0 HD21 LEU A 161 69.493 20.142 -10.905 1.00 25.00 H new ATOM 0 HD22 LEU A 161 70.561 18.933 -10.153 1.00 25.00 H new ATOM 0 HD23 LEU A 161 70.996 19.652 -11.722 1.00 25.00 H new ATOM 1289 N ALA A 162 71.791 15.157 -14.398 1.00 25.00 N ATOM 1290 CA ALA A 162 72.548 13.980 -14.826 1.00 25.00 C ATOM 1291 C ALA A 162 73.912 14.381 -15.397 1.00 25.00 C ATOM 1292 O ALA A 162 74.882 13.639 -15.273 1.00 25.00 O ATOM 1293 CB ALA A 162 71.750 13.201 -15.874 1.00 25.00 C ATOM 0 H ALA A 162 70.904 15.278 -14.886 1.00 25.00 H new ATOM 0 HA ALA A 162 72.717 13.346 -13.955 1.00 25.00 H new ATOM 0 HB1 ALA A 162 72.319 12.326 -16.188 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.801 12.881 -15.445 1.00 25.00 H new ATOM 0 HB3 ALA A 162 71.561 13.840 -16.737 1.00 25.00 H new ATOM 1299 N SER A 163 73.994 15.565 -15.987 1.00 25.00 N ATOM 1300 CA SER A 163 75.257 16.064 -16.542 1.00 25.00 C ATOM 1301 C SER A 163 76.279 16.329 -15.436 1.00 25.00 C ATOM 1302 O SER A 163 77.485 16.251 -15.667 1.00 25.00 O ATOM 1303 CB SER A 163 75.015 17.350 -17.336 1.00 25.00 C ATOM 1304 OG SER A 163 76.197 17.784 -17.993 1.00 25.00 O ATOM 0 H SER A 163 73.205 16.202 -16.097 1.00 25.00 H new ATOM 0 HA SER A 163 75.656 15.297 -17.206 1.00 25.00 H new ATOM 0 HB2 SER A 163 74.229 17.182 -18.072 1.00 25.00 H new ATOM 0 HB3 SER A 163 74.662 18.133 -16.665 1.00 25.00 H new ATOM 0 HG SER A 163 75.958 18.258 -18.817 1.00 25.00 H new ATOM 1310 N TYR A 164 75.801 16.601 -14.226 1.00 25.00 N ATOM 1311 CA TYR A 164 76.691 16.823 -13.084 1.00 25.00 C ATOM 1312 C TYR A 164 76.877 15.519 -12.318 1.00 25.00 C ATOM 1313 O TYR A 164 77.642 15.446 -11.357 1.00 25.00 O ATOM 1314 CB TYR A 164 76.102 17.892 -12.163 1.00 25.00 C ATOM 1315 CG TYR A 164 76.146 19.269 -12.776 1.00 25.00 C ATOM 1316 CD1 TYR A 164 77.309 20.061 -12.676 1.00 25.00 C ATOM 1317 CD2 TYR A 164 75.040 19.788 -13.478 1.00 25.00 C ATOM 1318 CE1 TYR A 164 77.365 21.350 -13.263 1.00 25.00 C ATOM 1319 CE2 TYR A 164 75.093 21.074 -14.063 1.00 25.00 C ATOM 1320 CZ TYR A 164 76.253 21.847 -13.947 1.00 25.00 C ATOM 1321 OH TYR A 164 76.321 23.101 -14.496 1.00 25.00 O ATOM 0 H TYR A 164 74.807 16.674 -14.008 1.00 25.00 H new ATOM 0 HA TYR A 164 77.660 17.166 -13.446 1.00 25.00 H new ATOM 0 HB2 TYR A 164 75.069 17.635 -11.927 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.651 17.899 -11.222 1.00 25.00 H new ATOM 0 HD1 TYR A 164 78.169 19.680 -12.145 1.00 25.00 H new ATOM 0 HD2 TYR A 164 74.141 19.196 -13.570 1.00 25.00 H new ATOM 0 HE1 TYR A 164 78.263 21.945 -13.182 1.00 25.00 H new ATOM 0 HE2 TYR A 164 74.238 21.459 -14.599 1.00 25.00 H new ATOM 0 HH TYR A 164 75.453 23.335 -14.885 1.00 25.00 H new ATOM 1331 N GLY A 165 76.165 14.489 -12.751 1.00 25.00 N ATOM 1332 CA GLY A 165 76.217 13.203 -12.083 1.00 25.00 C ATOM 1333 C GLY A 165 75.470 13.239 -10.768 1.00 25.00 C ATOM 1334 O GLY A 165 75.764 12.444 -9.865 1.00 25.00 O ATOM 0 H GLY A 165 75.546 14.521 -13.561 1.00 25.00 H new ATOM 0 HA2 GLY A 165 75.786 12.437 -12.728 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.256 12.924 -11.907 1.00 25.00 H new ATOM 1338 N LEU A 166 74.515 14.157 -10.651 1.00 25.00 N ATOM 1339 CA LEU A 166 73.762 14.318 -9.407 1.00 25.00 C ATOM 1340 C LEU A 166 72.780 13.168 -9.227 1.00 25.00 C ATOM 1341 O LEU A 166 71.626 13.260 -9.609 1.00 25.00 O ATOM 1342 CB LEU A 166 73.019 15.658 -9.420 1.00 25.00 C ATOM 1343 CG LEU A 166 73.859 16.850 -8.955 1.00 25.00 C ATOM 1344 CD1 LEU A 166 73.245 18.158 -9.413 1.00 25.00 C ATOM 1345 CD2 LEU A 166 73.971 16.839 -7.434 1.00 25.00 C ATOM 0 H LEU A 166 74.244 14.798 -11.396 1.00 25.00 H new ATOM 0 HA LEU A 166 74.458 14.307 -8.569 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.663 15.852 -10.432 1.00 25.00 H new ATOM 0 HB3 LEU A 166 72.139 15.578 -8.782 1.00 25.00 H new ATOM 0 HG LEU A 166 74.852 16.763 -9.396 1.00 25.00 H new ATOM 0 HD11 LEU A 166 73.861 18.989 -9.070 1.00 25.00 H new ATOM 0 HD12 LEU A 166 73.190 18.173 -10.502 1.00 25.00 H new ATOM 0 HD13 LEU A 166 72.242 18.254 -8.998 1.00 25.00 H new ATOM 0 HD21 LEU A 166 74.570 17.689 -7.107 1.00 25.00 H new ATOM 0 HD22 LEU A 166 72.975 16.906 -6.995 1.00 25.00 H new ATOM 0 HD23 LEU A 166 74.448 15.914 -7.111 1.00 25.00 H new ATOM 1357 N LYS A 167 73.279 12.065 -8.698 1.00 25.00 N ATOM 1358 CA LYS A 167 72.468 10.856 -8.479 1.00 25.00 C ATOM 1359 C LYS A 167 71.598 10.955 -7.236 1.00 25.00 C ATOM 1360 O LYS A 167 71.788 11.819 -6.383 1.00 25.00 O ATOM 1361 CB LYS A 167 73.377 9.636 -8.334 1.00 25.00 C ATOM 1362 CG LYS A 167 74.174 9.348 -9.581 1.00 25.00 C ATOM 1363 CD LYS A 167 75.229 8.291 -9.324 1.00 25.00 C ATOM 1364 CE LYS A 167 76.328 8.381 -10.372 1.00 25.00 C ATOM 1365 NZ LYS A 167 77.094 9.680 -10.214 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.252 11.971 -8.406 1.00 25.00 H new ATOM 0 HA LYS A 167 71.816 10.756 -9.347 1.00 25.00 H new ATOM 0 HB2 LYS A 167 74.061 9.796 -7.500 1.00 25.00 H new ATOM 0 HB3 LYS A 167 72.771 8.765 -8.087 1.00 25.00 H new ATOM 0 HG2 LYS A 167 73.505 9.013 -10.374 1.00 25.00 H new ATOM 0 HG3 LYS A 167 74.650 10.264 -9.931 1.00 25.00 H new ATOM 0 HD2 LYS A 167 75.653 8.425 -8.329 1.00 25.00 H new ATOM 0 HD3 LYS A 167 74.775 7.300 -9.347 1.00 25.00 H new ATOM 0 HE2 LYS A 167 77.007 7.535 -10.271 1.00 25.00 H new ATOM 0 HE3 LYS A 167 75.894 8.325 -11.370 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 78.046 9.573 -10.619 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 76.590 10.443 -10.710 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 77.172 9.916 -9.204 1.00 25.00 H new ATOM 1379 N ASP A 168 70.682 10.012 -7.116 1.00 25.00 N ATOM 1380 CA ASP A 168 69.825 9.912 -5.951 1.00 25.00 C ATOM 1381 C ASP A 168 70.668 9.796 -4.686 1.00 25.00 C ATOM 1382 O ASP A 168 71.603 9.001 -4.601 1.00 25.00 O ATOM 1383 CB ASP A 168 68.874 8.710 -6.073 1.00 25.00 C ATOM 1384 CG ASP A 168 69.600 7.400 -6.410 1.00 25.00 C ATOM 1385 OD1 ASP A 168 70.210 7.303 -7.510 1.00 25.00 O ATOM 1386 OD2 ASP A 168 69.458 6.435 -5.631 1.00 25.00 O1- ATOM 0 H ASP A 168 70.512 9.296 -7.822 1.00 25.00 H new ATOM 0 HA ASP A 168 69.222 10.818 -5.890 1.00 25.00 H new ATOM 0 HB2 ASP A 168 68.331 8.587 -5.136 1.00 25.00 H new ATOM 0 HB3 ASP A 168 68.133 8.917 -6.845 1.00 25.00 H new ATOM 1391 N GLY A 169 70.345 10.643 -3.722 1.00 25.00 N ATOM 1392 CA GLY A 169 71.048 10.669 -2.453 1.00 25.00 C ATOM 1393 C GLY A 169 72.145 11.711 -2.381 1.00 25.00 C ATOM 1394 O GLY A 169 72.660 11.969 -1.294 1.00 25.00 O ATOM 0 H GLY A 169 69.592 11.327 -3.798 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.330 10.856 -1.655 1.00 25.00 H new ATOM 0 HA3 GLY A 169 71.481 9.686 -2.268 1.00 25.00 H new ATOM 1398 N ASP A 170 72.514 12.319 -3.501 1.00 25.00 N ATOM 1399 CA ASP A 170 73.565 13.341 -3.479 1.00 25.00 C ATOM 1400 C ASP A 170 73.056 14.642 -2.839 1.00 25.00 C ATOM 1401 O ASP A 170 71.838 14.869 -2.733 1.00 25.00 O ATOM 1402 CB ASP A 170 74.101 13.603 -4.886 1.00 25.00 C ATOM 1403 CG ASP A 170 75.598 13.843 -4.898 1.00 25.00 C ATOM 1404 OD1 ASP A 170 76.127 14.441 -3.933 1.00 25.00 O ATOM 1405 OD2 ASP A 170 76.259 13.406 -5.864 1.00 25.00 O1- ATOM 0 H ASP A 170 72.114 12.132 -4.420 1.00 25.00 H new ATOM 0 HA ASP A 170 74.385 12.963 -2.868 1.00 25.00 H new ATOM 0 HB2 ASP A 170 73.867 12.752 -5.525 1.00 25.00 H new ATOM 0 HB3 ASP A 170 73.593 14.469 -5.310 1.00 25.00 H new ATOM 1410 N VAL A 171 73.983 15.472 -2.377 1.00 25.00 N ATOM 1411 CA VAL A 171 73.654 16.684 -1.619 1.00 25.00 C ATOM 1412 C VAL A 171 74.228 17.939 -2.283 1.00 25.00 C ATOM 1413 O VAL A 171 75.408 17.979 -2.644 1.00 25.00 O ATOM 1414 CB VAL A 171 74.225 16.600 -0.159 1.00 25.00 C ATOM 1415 CG1 VAL A 171 73.687 17.760 0.711 1.00 25.00 C ATOM 1416 CG2 VAL A 171 73.868 15.251 0.495 1.00 25.00 C ATOM 0 H VAL A 171 74.984 15.329 -2.514 1.00 25.00 H new ATOM 0 HA VAL A 171 72.566 16.752 -1.596 1.00 25.00 H new ATOM 0 HB VAL A 171 75.310 16.683 -0.224 1.00 25.00 H new ATOM 0 HG11 VAL A 171 74.097 17.680 1.718 1.00 25.00 H new ATOM 0 HG12 VAL A 171 73.985 18.712 0.272 1.00 25.00 H new ATOM 0 HG13 VAL A 171 72.599 17.706 0.757 1.00 25.00 H new ATOM 0 HG21 VAL A 171 74.275 15.218 1.506 1.00 25.00 H new ATOM 0 HG22 VAL A 171 72.784 15.142 0.536 1.00 25.00 H new ATOM 0 HG23 VAL A 171 74.292 14.438 -0.094 1.00 25.00 H new ATOM 1426 N VAL A 172 73.422 18.989 -2.388 1.00 25.00 N ATOM 1427 CA VAL A 172 73.914 20.276 -2.879 1.00 25.00 C ATOM 1428 C VAL A 172 73.820 21.263 -1.723 1.00 25.00 C ATOM 1429 O VAL A 172 73.026 21.072 -0.805 1.00 25.00 O ATOM 1430 CB VAL A 172 73.127 20.774 -4.130 1.00 25.00 C ATOM 1431 CG1 VAL A 172 73.205 19.737 -5.252 1.00 25.00 C ATOM 1432 CG2 VAL A 172 71.669 21.043 -3.794 1.00 25.00 C ATOM 0 H VAL A 172 72.432 18.978 -2.143 1.00 25.00 H new ATOM 0 HA VAL A 172 74.947 20.176 -3.214 1.00 25.00 H new ATOM 0 HB VAL A 172 73.586 21.706 -4.459 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.652 20.097 -6.119 1.00 25.00 H new ATOM 0 HG12 VAL A 172 74.247 19.577 -5.528 1.00 25.00 H new ATOM 0 HG13 VAL A 172 72.772 18.797 -4.910 1.00 25.00 H new ATOM 0 HG21 VAL A 172 71.148 21.389 -4.687 1.00 25.00 H new ATOM 0 HG22 VAL A 172 71.203 20.126 -3.434 1.00 25.00 H new ATOM 0 HG23 VAL A 172 71.609 21.808 -3.020 1.00 25.00 H new ATOM 1442 N ILE A 173 74.652 22.292 -1.738 1.00 25.00 N ATOM 1443 CA ILE A 173 74.706 23.255 -0.644 1.00 25.00 C ATOM 1444 C ILE A 173 74.337 24.629 -1.173 1.00 25.00 C ATOM 1445 O ILE A 173 75.034 25.212 -2.006 1.00 25.00 O ATOM 1446 CB ILE A 173 76.113 23.302 0.033 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.523 21.887 0.507 1.00 25.00 C ATOM 1448 CG2 ILE A 173 76.091 24.282 1.244 1.00 25.00 C ATOM 1449 CD1 ILE A 173 77.961 21.782 1.049 1.00 25.00 C ATOM 0 H ILE A 173 75.303 22.484 -2.499 1.00 25.00 H new ATOM 0 HA ILE A 173 73.994 22.940 0.119 1.00 25.00 H new ATOM 0 HB ILE A 173 76.842 23.656 -0.696 1.00 25.00 H new ATOM 0 HG12 ILE A 173 75.831 21.565 1.285 1.00 25.00 H new ATOM 0 HG13 ILE A 173 76.411 21.193 -0.326 1.00 25.00 H new ATOM 0 HG21 ILE A 173 77.076 24.308 1.709 1.00 25.00 H new ATOM 0 HG22 ILE A 173 75.827 25.281 0.899 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.355 23.943 1.973 1.00 25.00 H new ATOM 0 HD11 ILE A 173 78.160 20.756 1.357 1.00 25.00 H new ATOM 0 HD12 ILE A 173 78.666 22.069 0.269 1.00 25.00 H new ATOM 0 HD13 ILE A 173 78.077 22.447 1.905 1.00 25.00 H new ATOM 1461 N LEU A 174 73.228 25.145 -0.680 1.00 25.00 N ATOM 1462 CA LEU A 174 72.753 26.469 -1.036 1.00 25.00 C ATOM 1463 C LEU A 174 73.349 27.406 0.011 1.00 25.00 C ATOM 1464 O LEU A 174 73.230 27.167 1.205 1.00 25.00 O ATOM 1465 CB LEU A 174 71.223 26.477 -1.009 1.00 25.00 C ATOM 1466 CG LEU A 174 70.509 27.354 -2.047 1.00 25.00 C ATOM 1467 CD1 LEU A 174 69.004 27.131 -1.937 1.00 25.00 C ATOM 1468 CD2 LEU A 174 70.827 28.828 -1.848 1.00 25.00 C ATOM 0 H LEU A 174 72.627 24.655 -0.017 1.00 25.00 H new ATOM 0 HA LEU A 174 73.051 26.779 -2.038 1.00 25.00 H new ATOM 0 HB2 LEU A 174 70.877 25.451 -1.138 1.00 25.00 H new ATOM 0 HB3 LEU A 174 70.904 26.799 -0.018 1.00 25.00 H new ATOM 0 HG LEU A 174 70.861 27.070 -3.039 1.00 25.00 H new ATOM 0 HD11 LEU A 174 68.490 27.751 -2.671 1.00 25.00 H new ATOM 0 HD12 LEU A 174 68.777 26.082 -2.125 1.00 25.00 H new ATOM 0 HD13 LEU A 174 68.668 27.401 -0.936 1.00 25.00 H new ATOM 0 HD21 LEU A 174 70.304 29.418 -2.601 1.00 25.00 H new ATOM 0 HD22 LEU A 174 70.504 29.139 -0.855 1.00 25.00 H new ATOM 0 HD23 LEU A 174 71.901 28.985 -1.946 1.00 25.00 H new ATOM 1480 N ARG A 175 74.065 28.424 -0.430 1.00 25.00 N ATOM 1481 CA ARG A 175 74.796 29.308 0.480 1.00 25.00 C ATOM 1482 C ARG A 175 74.232 30.713 0.453 1.00 25.00 C ATOM 1483 O ARG A 175 74.365 31.433 -0.534 1.00 25.00 O ATOM 1484 CB ARG A 175 76.274 29.342 0.090 1.00 25.00 C ATOM 1485 CG ARG A 175 76.964 27.980 0.200 1.00 25.00 C ATOM 1486 CD ARG A 175 78.431 28.051 -0.211 1.00 25.00 C ATOM 1487 NE ARG A 175 79.219 28.914 0.689 1.00 25.00 N ATOM 1488 CZ ARG A 175 79.919 29.982 0.320 1.00 25.00 C ATOM 1489 NH1 ARG A 175 79.990 30.386 -0.924 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 80.569 30.657 1.230 1.00 25.00 N ATOM 0 H ARG A 175 74.160 28.666 -1.416 1.00 25.00 H new ATOM 0 HA ARG A 175 74.689 28.916 1.491 1.00 25.00 H new ATOM 0 HB2 ARG A 175 76.364 29.705 -0.934 1.00 25.00 H new ATOM 0 HB3 ARG A 175 76.794 30.057 0.728 1.00 25.00 H new ATOM 0 HG2 ARG A 175 76.891 27.618 1.226 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.445 27.258 -0.430 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.855 27.047 -0.213 1.00 25.00 H new ATOM 0 HD3 ARG A 175 78.503 28.430 -1.231 1.00 25.00 H new ATOM 0 HE ARG A 175 79.227 28.670 1.679 1.00 25.00 H new ATOM 0 HH11 ARG A 175 79.496 29.875 -1.655 1.00 25.00 H new ATOM 0 HH12 ARG A 175 80.540 31.212 -1.161 1.00 25.00 H new ATOM 0 HH21 ARG A 175 80.534 30.362 2.206 1.00 25.00 H new ATOM 0 HH22 ARG A 175 81.111 31.479 0.965 1.00 25.00 H new ATOM 1504 N GLN A 176 73.629 31.097 1.577 1.00 25.00 N ATOM 1505 CA GLN A 176 73.102 32.450 1.787 1.00 25.00 C ATOM 1506 C GLN A 176 73.755 33.129 3.000 1.00 25.00 C ATOM 1507 O GLN A 176 74.421 34.138 2.928 1.00 25.00 O ATOM 1508 CB GLN A 176 71.566 32.439 1.894 1.00 25.00 C ATOM 1509 CG GLN A 176 71.030 33.877 1.800 1.00 25.00 C ATOM 1510 CD GLN A 176 69.534 33.888 1.719 1.00 25.00 C ATOM 1511 OE1 GLN A 176 68.822 33.503 2.609 1.00 25.00 O ATOM 1512 NE2 GLN A 176 69.023 34.349 0.596 1.00 25.00 N ATOM 1513 OXT GLN A 176 73.588 32.570 4.049 1.00 25.00 O ATOM 0 H GLN A 176 73.490 30.476 2.374 1.00 25.00 H new ATOM 0 HA GLN A 176 73.362 33.045 0.912 1.00 25.00 H new ATOM 0 HB2 GLN A 176 71.141 31.829 1.097 1.00 25.00 H new ATOM 0 HB3 GLN A 176 71.261 31.988 2.838 1.00 25.00 H new ATOM 0 HG2 GLN A 176 71.355 34.448 2.670 1.00 25.00 H new ATOM 0 HG3 GLN A 176 71.449 34.368 0.922 1.00 25.00 H new ATOM 0 HE21 GLN A 176 69.639 34.672 -0.150 1.00 25.00 H new ATOM 0 HE22 GLN A 176 68.011 34.383 0.472 1.00 25.00 H new TER 1523 GLN A 176