USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 686 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 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 THR OG1 : rot 47:sc= 0.885 USER MOD Single : A 1 MET CE :methyl -156:sc= -0.301 (180deg=-1.54!) USER MOD Single : A 2 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.68) USER MOD Single : A 3 HIS : no HD1:sc= -0.0927 X(o=-0.093,f=-0.093) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -1 SER N :NH3+ -135:sc= 0.372 (180deg=0.0142) USER MOD Single : A -1 SER OG : rot 180:sc= 0.113 USER MOD Single : A 33 ASN : amide:sc= -3.21 K(o=-3.2,f=-12!) USER MOD Single : A 43 LYS NZ :NH3+ -108:sc= -1.44 (180deg=-1.93) USER MOD Single : A 62 SER OG : rot 180:sc= 0.536 USER MOD Single : A 65 HIS : no HE2:sc= -7.23! C(o=-7.2!,f=-11!) USER MOD Single : A 68 SER OG : rot 150:sc= -0.638 USER MOD Single : A 71 SER OG : rot -60:sc= 0.319 USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= -0.419 (180deg=-0.819) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -1 7.830 -12.179 -3.634 1.00 0.00 N ATOM 2 CA SER A -1 8.809 -11.514 -2.726 1.00 0.00 C ATOM 3 C SER A -1 8.184 -11.344 -1.341 1.00 0.00 C ATOM 4 O SER A -1 7.023 -11.637 -1.132 1.00 0.00 O ATOM 5 CB SER A -1 9.178 -10.142 -3.292 1.00 0.00 C ATOM 6 OG SER A -1 8.039 -9.575 -3.926 1.00 0.00 O ATOM 0 H1 SER A -1 8.310 -12.926 -4.175 1.00 0.00 H new ATOM 0 H2 SER A -1 7.063 -12.598 -3.070 1.00 0.00 H new ATOM 0 H3 SER A -1 7.433 -11.477 -4.291 1.00 0.00 H new ATOM 0 HA SER A -1 9.707 -12.127 -2.646 1.00 0.00 H new ATOM 0 HB2 SER A -1 9.527 -9.488 -2.493 1.00 0.00 H new ATOM 0 HB3 SER A -1 9.996 -10.238 -4.006 1.00 0.00 H new ATOM 0 HG SER A -1 8.271 -8.695 -4.289 1.00 0.00 H new ATOM 14 N GLU A 0 8.944 -10.872 -0.390 1.00 0.00 N ATOM 15 CA GLU A 0 8.391 -10.685 0.981 1.00 0.00 C ATOM 16 C GLU A 0 7.243 -9.673 0.934 1.00 0.00 C ATOM 17 O GLU A 0 6.287 -9.770 1.678 1.00 0.00 O ATOM 18 CB GLU A 0 9.493 -10.166 1.908 1.00 0.00 C ATOM 19 CG GLU A 0 10.588 -11.226 2.042 1.00 0.00 C ATOM 20 CD GLU A 0 11.656 -10.735 3.021 1.00 0.00 C ATOM 21 OE1 GLU A 0 11.596 -9.578 3.403 1.00 0.00 O ATOM 22 OE2 GLU A 0 12.517 -11.526 3.371 1.00 0.00 O ATOM 0 H GLU A 0 9.923 -10.608 -0.503 1.00 0.00 H new ATOM 0 HA GLU A 0 8.019 -11.638 1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 0 9.913 -9.242 1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 0 9.078 -9.931 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 0 10.160 -12.164 2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 0 11.036 -11.426 1.069 1.00 0.00 H new ATOM 29 N MET A 1 7.330 -8.704 0.065 1.00 0.00 N ATOM 30 CA MET A 1 6.245 -7.688 -0.030 1.00 0.00 C ATOM 31 C MET A 1 4.919 -8.385 -0.335 1.00 0.00 C ATOM 32 O MET A 1 3.873 -7.959 0.108 1.00 0.00 O ATOM 33 CB MET A 1 6.565 -6.711 -1.160 1.00 0.00 C ATOM 34 CG MET A 1 7.859 -5.960 -0.850 1.00 0.00 C ATOM 35 SD MET A 1 7.675 -5.033 0.694 1.00 0.00 S ATOM 36 CE MET A 1 6.337 -3.943 0.147 1.00 0.00 C ATOM 0 H MET A 1 8.106 -8.572 -0.584 1.00 0.00 H new ATOM 0 HA MET A 1 6.169 -7.150 0.915 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.665 -7.251 -2.102 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.745 -6.004 -1.284 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.687 -6.663 -0.766 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.100 -5.280 -1.667 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.341 -3.033 0.746 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.482 -3.687 -0.903 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.381 -4.452 0.268 1.00 0.00 H new ATOM 46 N GLN A 2 4.965 -9.447 -1.096 1.00 0.00 N ATOM 47 CA GLN A 2 3.719 -10.190 -1.451 1.00 0.00 C ATOM 48 C GLN A 2 3.057 -9.530 -2.666 1.00 0.00 C ATOM 49 O GLN A 2 1.982 -8.971 -2.574 1.00 0.00 O ATOM 50 CB GLN A 2 2.747 -10.190 -0.265 1.00 0.00 C ATOM 51 CG GLN A 2 1.877 -11.447 -0.315 1.00 0.00 C ATOM 52 CD GLN A 2 2.719 -12.664 0.073 1.00 0.00 C ATOM 53 OE1 GLN A 2 3.415 -12.644 1.069 1.00 0.00 O ATOM 54 NE2 GLN A 2 2.683 -13.732 -0.676 1.00 0.00 N ATOM 0 H GLN A 2 5.822 -9.835 -1.491 1.00 0.00 H new ATOM 0 HA GLN A 2 3.976 -11.221 -1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 2 3.302 -10.156 0.673 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.119 -9.299 -0.296 1.00 0.00 H new ATOM 0 HG2 GLN A 2 1.031 -11.344 0.365 1.00 0.00 H new ATOM 0 HG3 GLN A 2 1.467 -11.579 -1.316 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.099 -13.749 -1.512 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.239 -14.550 -0.425 1.00 0.00 H new ATOM 63 N HIS A 3 3.695 -9.597 -3.805 1.00 0.00 N ATOM 64 CA HIS A 3 3.118 -8.987 -5.041 1.00 0.00 C ATOM 65 C HIS A 3 2.989 -7.471 -4.875 1.00 0.00 C ATOM 66 O HIS A 3 1.964 -6.892 -5.177 1.00 0.00 O ATOM 67 CB HIS A 3 1.738 -9.590 -5.319 1.00 0.00 C ATOM 68 CG HIS A 3 1.807 -11.087 -5.187 1.00 0.00 C ATOM 69 ND1 HIS A 3 2.519 -11.876 -6.079 1.00 0.00 N ATOM 70 CD2 HIS A 3 1.259 -11.954 -4.273 1.00 0.00 C ATOM 71 CE1 HIS A 3 2.382 -13.157 -5.687 1.00 0.00 C ATOM 72 NE2 HIS A 3 1.624 -13.256 -4.593 1.00 0.00 N ATOM 0 H HIS A 3 4.599 -10.052 -3.934 1.00 0.00 H new ATOM 0 HA HIS A 3 3.783 -9.196 -5.878 1.00 0.00 H new ATOM 0 HB2 HIS A 3 1.006 -9.186 -4.620 1.00 0.00 H new ATOM 0 HB3 HIS A 3 1.406 -9.318 -6.321 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.640 -11.668 -3.435 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.829 -13.999 -6.194 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.367 -14.109 -4.096 1.00 0.00 H new ATOM 81 N ALA A 4 4.019 -6.818 -4.406 1.00 0.00 N ATOM 82 CA ALA A 4 3.942 -5.339 -4.233 1.00 0.00 C ATOM 83 C ALA A 4 3.724 -4.676 -5.596 1.00 0.00 C ATOM 84 O ALA A 4 2.990 -3.715 -5.723 1.00 0.00 O ATOM 85 CB ALA A 4 5.251 -4.823 -3.634 1.00 0.00 C ATOM 0 H ALA A 4 4.906 -7.243 -4.136 1.00 0.00 H new ATOM 0 HA ALA A 4 3.113 -5.099 -3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.192 -3.742 -3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.417 -5.292 -2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.078 -5.066 -4.302 1.00 0.00 H new ATOM 91 N SER A 5 4.363 -5.182 -6.615 1.00 0.00 N ATOM 92 CA SER A 5 4.204 -4.582 -7.970 1.00 0.00 C ATOM 93 C SER A 5 2.740 -4.647 -8.405 1.00 0.00 C ATOM 94 O SER A 5 2.236 -3.746 -9.045 1.00 0.00 O ATOM 95 CB SER A 5 5.065 -5.356 -8.971 1.00 0.00 C ATOM 96 OG SER A 5 6.410 -5.379 -8.512 1.00 0.00 O ATOM 0 H SER A 5 4.989 -5.986 -6.568 1.00 0.00 H new ATOM 0 HA SER A 5 4.520 -3.539 -7.938 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.689 -6.373 -9.082 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.012 -4.887 -9.954 1.00 0.00 H new ATOM 0 HG SER A 5 6.965 -5.875 -9.149 1.00 0.00 H new ATOM 102 N VAL A 6 2.052 -5.701 -8.069 1.00 0.00 N ATOM 103 CA VAL A 6 0.623 -5.810 -8.476 1.00 0.00 C ATOM 104 C VAL A 6 -0.180 -4.679 -7.843 1.00 0.00 C ATOM 105 O VAL A 6 -0.994 -4.047 -8.484 1.00 0.00 O ATOM 106 CB VAL A 6 0.056 -7.148 -8.010 1.00 0.00 C ATOM 107 CG1 VAL A 6 -1.467 -7.139 -8.169 1.00 0.00 C ATOM 108 CG2 VAL A 6 0.650 -8.277 -8.856 1.00 0.00 C ATOM 0 H VAL A 6 2.415 -6.489 -7.532 1.00 0.00 H new ATOM 0 HA VAL A 6 0.556 -5.742 -9.562 1.00 0.00 H new ATOM 0 HB VAL A 6 0.312 -7.306 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.873 -8.094 -7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.891 -6.335 -7.567 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.723 -6.981 -9.217 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.245 -9.233 -8.523 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.394 -8.120 -9.904 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.734 -8.284 -8.744 1.00 0.00 H new ATOM 118 N ILE A 7 0.037 -4.424 -6.588 1.00 0.00 N ATOM 119 CA ILE A 7 -0.720 -3.341 -5.905 1.00 0.00 C ATOM 120 C ILE A 7 -0.464 -2.002 -6.602 1.00 0.00 C ATOM 121 O ILE A 7 -1.380 -1.268 -6.915 1.00 0.00 O ATOM 122 CB ILE A 7 -0.259 -3.250 -4.453 1.00 0.00 C ATOM 123 CG1 ILE A 7 -0.538 -4.581 -3.751 1.00 0.00 C ATOM 124 CG2 ILE A 7 -1.019 -2.128 -3.746 1.00 0.00 C ATOM 125 CD1 ILE A 7 0.121 -4.574 -2.372 1.00 0.00 C ATOM 0 H ILE A 7 0.708 -4.920 -6.002 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.786 -3.566 -5.945 1.00 0.00 H new ATOM 0 HB ILE A 7 0.810 -3.037 -4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.613 -4.735 -3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.151 -5.408 -4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.690 -2.063 -2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.822 -1.182 -4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.088 -2.338 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.076 -5.521 -1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.197 -4.440 -2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.287 -3.756 -1.778 1.00 0.00 H new ATOM 137 N ALA A 8 0.777 -1.674 -6.830 1.00 0.00 N ATOM 138 CA ALA A 8 1.101 -0.375 -7.488 1.00 0.00 C ATOM 139 C ALA A 8 0.537 -0.322 -8.914 1.00 0.00 C ATOM 140 O ALA A 8 -0.003 0.680 -9.337 1.00 0.00 O ATOM 141 CB ALA A 8 2.620 -0.206 -7.539 1.00 0.00 C ATOM 0 H ALA A 8 1.584 -2.250 -6.589 1.00 0.00 H new ATOM 0 HA ALA A 8 0.648 0.430 -6.909 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.865 0.742 -8.019 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.021 -0.214 -6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.058 -1.025 -8.109 1.00 0.00 H new ATOM 147 N GLN A 9 0.681 -1.376 -9.672 1.00 0.00 N ATOM 148 CA GLN A 9 0.173 -1.351 -11.076 1.00 0.00 C ATOM 149 C GLN A 9 -1.359 -1.329 -11.113 1.00 0.00 C ATOM 150 O GLN A 9 -1.957 -0.572 -11.851 1.00 0.00 O ATOM 151 CB GLN A 9 0.676 -2.589 -11.818 1.00 0.00 C ATOM 152 CG GLN A 9 2.200 -2.528 -11.941 1.00 0.00 C ATOM 153 CD GLN A 9 2.695 -3.724 -12.754 1.00 0.00 C ATOM 154 OE1 GLN A 9 2.687 -3.694 -13.969 1.00 0.00 O ATOM 155 NE2 GLN A 9 3.124 -4.787 -12.131 1.00 0.00 N ATOM 0 H GLN A 9 1.125 -2.248 -9.383 1.00 0.00 H new ATOM 0 HA GLN A 9 0.542 -0.445 -11.556 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.380 -3.492 -11.283 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.223 -2.642 -12.808 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.499 -1.598 -12.424 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.656 -2.534 -10.951 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.131 -4.813 -11.111 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.453 -5.592 -12.664 1.00 0.00 H new ATOM 164 N PHE A 10 -2.001 -2.157 -10.340 1.00 0.00 N ATOM 165 CA PHE A 10 -3.494 -2.182 -10.359 1.00 0.00 C ATOM 166 C PHE A 10 -4.060 -0.904 -9.735 1.00 0.00 C ATOM 167 O PHE A 10 -4.952 -0.284 -10.278 1.00 0.00 O ATOM 168 CB PHE A 10 -3.997 -3.413 -9.599 1.00 0.00 C ATOM 169 CG PHE A 10 -4.938 -2.994 -8.498 1.00 0.00 C ATOM 170 CD1 PHE A 10 -4.424 -2.560 -7.274 1.00 0.00 C ATOM 171 CD2 PHE A 10 -6.323 -3.055 -8.694 1.00 0.00 C ATOM 172 CE1 PHE A 10 -5.290 -2.185 -6.243 1.00 0.00 C ATOM 173 CE2 PHE A 10 -7.192 -2.676 -7.664 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.675 -2.241 -6.438 1.00 0.00 C ATOM 0 H PHE A 10 -1.562 -2.816 -9.697 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.834 -2.236 -11.393 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.506 -4.090 -10.285 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.153 -3.960 -9.178 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.355 -2.514 -7.124 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -6.721 -3.394 -9.639 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.891 -1.852 -5.296 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -8.261 -2.719 -7.815 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.345 -1.949 -5.643 1.00 0.00 H new ATOM 184 N VAL A 11 -3.559 -0.506 -8.599 1.00 0.00 N ATOM 185 CA VAL A 11 -4.086 0.730 -7.952 1.00 0.00 C ATOM 186 C VAL A 11 -3.851 1.933 -8.868 1.00 0.00 C ATOM 187 O VAL A 11 -4.683 2.811 -8.981 1.00 0.00 O ATOM 188 CB VAL A 11 -3.377 0.955 -6.615 1.00 0.00 C ATOM 189 CG1 VAL A 11 -1.972 1.501 -6.863 1.00 0.00 C ATOM 190 CG2 VAL A 11 -4.173 1.962 -5.781 1.00 0.00 C ATOM 0 H VAL A 11 -2.811 -0.980 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.156 0.615 -7.777 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.308 0.008 -6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.470 1.660 -5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.403 0.786 -7.457 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.039 2.447 -7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.669 2.124 -4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.242 2.907 -6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.175 1.573 -5.601 1.00 0.00 H new ATOM 200 N VAL A 12 -2.724 1.982 -9.526 1.00 0.00 N ATOM 201 CA VAL A 12 -2.442 3.132 -10.432 1.00 0.00 C ATOM 202 C VAL A 12 -3.459 3.154 -11.574 1.00 0.00 C ATOM 203 O VAL A 12 -3.968 4.194 -11.942 1.00 0.00 O ATOM 204 CB VAL A 12 -1.038 2.994 -11.014 1.00 0.00 C ATOM 205 CG1 VAL A 12 -0.849 4.021 -12.133 1.00 0.00 C ATOM 206 CG2 VAL A 12 -0.005 3.244 -9.913 1.00 0.00 C ATOM 0 H VAL A 12 -1.988 1.277 -9.475 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.514 4.059 -9.863 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.906 1.989 -11.416 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.153 3.924 -12.550 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.587 3.846 -12.916 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.979 5.026 -11.731 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.999 3.146 -10.327 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.136 4.249 -9.513 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.141 2.515 -9.114 1.00 0.00 H new ATOM 216 N GLU A 13 -3.753 2.019 -12.146 1.00 0.00 N ATOM 217 CA GLU A 13 -4.727 1.989 -13.267 1.00 0.00 C ATOM 218 C GLU A 13 -6.109 2.430 -12.778 1.00 0.00 C ATOM 219 O GLU A 13 -6.826 3.129 -13.467 1.00 0.00 O ATOM 220 CB GLU A 13 -4.811 0.572 -13.827 1.00 0.00 C ATOM 221 CG GLU A 13 -3.507 0.228 -14.542 1.00 0.00 C ATOM 222 CD GLU A 13 -3.605 -1.178 -15.137 1.00 0.00 C ATOM 223 OE1 GLU A 13 -4.570 -1.861 -14.837 1.00 0.00 O ATOM 224 OE2 GLU A 13 -2.713 -1.548 -15.882 1.00 0.00 O ATOM 0 H GLU A 13 -3.361 1.114 -11.885 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.394 2.673 -14.047 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.994 -0.139 -13.021 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.649 0.492 -14.519 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.310 0.955 -15.330 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.672 0.281 -13.843 1.00 0.00 H new ATOM 231 N GLU A 14 -6.490 2.029 -11.598 1.00 0.00 N ATOM 232 CA GLU A 14 -7.829 2.428 -11.076 1.00 0.00 C ATOM 233 C GLU A 14 -7.841 3.924 -10.755 1.00 0.00 C ATOM 234 O GLU A 14 -8.795 4.622 -11.036 1.00 0.00 O ATOM 235 CB GLU A 14 -8.135 1.633 -9.804 1.00 0.00 C ATOM 236 CG GLU A 14 -9.557 1.946 -9.334 1.00 0.00 C ATOM 237 CD GLU A 14 -9.832 1.217 -8.017 1.00 0.00 C ATOM 238 OE1 GLU A 14 -8.931 0.552 -7.533 1.00 0.00 O ATOM 239 OE2 GLU A 14 -10.936 1.337 -7.515 1.00 0.00 O ATOM 0 H GLU A 14 -5.935 1.444 -10.973 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.585 2.219 -11.833 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.031 0.565 -9.996 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.419 1.887 -9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.678 3.021 -9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.278 1.636 -10.091 1.00 0.00 H new ATOM 246 N PHE A 15 -6.793 4.420 -10.157 1.00 0.00 N ATOM 247 CA PHE A 15 -6.749 5.868 -9.806 1.00 0.00 C ATOM 248 C PHE A 15 -6.294 6.700 -11.007 1.00 0.00 C ATOM 249 O PHE A 15 -6.932 7.665 -11.378 1.00 0.00 O ATOM 250 CB PHE A 15 -5.779 6.076 -8.640 1.00 0.00 C ATOM 251 CG PHE A 15 -5.818 7.520 -8.200 1.00 0.00 C ATOM 252 CD1 PHE A 15 -6.871 7.979 -7.399 1.00 0.00 C ATOM 253 CD2 PHE A 15 -4.801 8.396 -8.591 1.00 0.00 C ATOM 254 CE1 PHE A 15 -6.905 9.318 -6.990 1.00 0.00 C ATOM 255 CE2 PHE A 15 -4.835 9.735 -8.183 1.00 0.00 C ATOM 256 CZ PHE A 15 -5.887 10.196 -7.382 1.00 0.00 C ATOM 0 H PHE A 15 -5.965 3.885 -9.896 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.749 6.192 -9.519 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.049 5.425 -7.809 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.768 5.805 -8.942 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.656 7.301 -7.097 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.989 8.040 -9.208 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.716 9.673 -6.372 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.050 10.412 -8.486 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.913 11.229 -7.067 1.00 0.00 H new ATOM 266 N LEU A 16 -5.186 6.346 -11.604 1.00 0.00 N ATOM 267 CA LEU A 16 -4.679 7.129 -12.766 1.00 0.00 C ATOM 268 C LEU A 16 -4.499 6.215 -13.986 1.00 0.00 C ATOM 269 O LEU A 16 -3.399 5.796 -14.287 1.00 0.00 O ATOM 270 CB LEU A 16 -3.328 7.733 -12.393 1.00 0.00 C ATOM 271 CG LEU A 16 -3.539 9.145 -11.852 1.00 0.00 C ATOM 272 CD1 LEU A 16 -2.275 9.609 -11.124 1.00 0.00 C ATOM 273 CD2 LEU A 16 -3.836 10.099 -13.013 1.00 0.00 C ATOM 0 H LEU A 16 -4.611 5.547 -11.336 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.395 7.913 -13.014 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.834 7.114 -11.644 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.675 7.759 -13.265 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.379 9.144 -11.157 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.427 10.617 -10.738 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.062 8.932 -10.297 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.435 9.609 -11.818 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.987 11.107 -12.626 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.996 10.099 -13.708 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.737 9.771 -13.532 1.00 0.00 H new ATOM 285 N PRO A 17 -5.563 5.909 -14.691 1.00 0.00 N ATOM 286 CA PRO A 17 -5.489 5.034 -15.897 1.00 0.00 C ATOM 287 C PRO A 17 -4.720 5.688 -17.048 1.00 0.00 C ATOM 288 O PRO A 17 -4.327 5.035 -17.994 1.00 0.00 O ATOM 289 CB PRO A 17 -6.949 4.792 -16.290 1.00 0.00 C ATOM 290 CG PRO A 17 -7.744 5.868 -15.624 1.00 0.00 C ATOM 291 CD PRO A 17 -6.943 6.354 -14.419 1.00 0.00 C ATOM 0 HA PRO A 17 -4.949 4.112 -15.681 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.072 4.830 -17.372 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.281 3.806 -15.966 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.932 6.689 -16.316 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.716 5.487 -15.310 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.998 7.438 -14.316 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.323 5.926 -13.491 1.00 0.00 H new ATOM 299 N ASP A 18 -4.509 6.975 -16.983 1.00 0.00 N ATOM 300 CA ASP A 18 -3.778 7.665 -18.077 1.00 0.00 C ATOM 301 C ASP A 18 -2.290 7.791 -17.730 1.00 0.00 C ATOM 302 O ASP A 18 -1.541 8.445 -18.428 1.00 0.00 O ATOM 303 CB ASP A 18 -4.372 9.056 -18.273 1.00 0.00 C ATOM 304 CG ASP A 18 -5.792 8.932 -18.828 1.00 0.00 C ATOM 305 OD1 ASP A 18 -6.155 7.842 -19.236 1.00 0.00 O ATOM 306 OD2 ASP A 18 -6.493 9.932 -18.838 1.00 0.00 O ATOM 0 H ASP A 18 -4.813 7.577 -16.217 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.876 7.083 -18.993 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.387 9.593 -17.325 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.752 9.634 -18.958 1.00 0.00 H new ATOM 311 N VAL A 19 -1.856 7.178 -16.658 1.00 0.00 N ATOM 312 CA VAL A 19 -0.414 7.273 -16.274 1.00 0.00 C ATOM 313 C VAL A 19 0.212 5.879 -16.260 1.00 0.00 C ATOM 314 O VAL A 19 -0.362 4.933 -15.757 1.00 0.00 O ATOM 315 CB VAL A 19 -0.298 7.889 -14.880 1.00 0.00 C ATOM 316 CG1 VAL A 19 1.174 8.167 -14.566 1.00 0.00 C ATOM 317 CG2 VAL A 19 -1.087 9.199 -14.831 1.00 0.00 C ATOM 0 H VAL A 19 -2.436 6.617 -16.033 1.00 0.00 H new ATOM 0 HA VAL A 19 0.108 7.898 -16.999 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.702 7.195 -14.143 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.257 8.606 -13.572 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.736 7.233 -14.598 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.579 8.860 -15.304 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.003 9.637 -13.836 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.685 9.894 -15.568 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.136 9.001 -15.053 1.00 0.00 H new ATOM 327 N ALA A 20 1.392 5.745 -16.801 1.00 0.00 N ATOM 328 CA ALA A 20 2.063 4.415 -16.811 1.00 0.00 C ATOM 329 C ALA A 20 2.650 4.140 -15.415 1.00 0.00 C ATOM 330 O ALA A 20 3.501 4.874 -14.956 1.00 0.00 O ATOM 331 CB ALA A 20 3.198 4.433 -17.838 1.00 0.00 C ATOM 0 H ALA A 20 1.921 6.500 -17.237 1.00 0.00 H new ATOM 0 HA ALA A 20 1.344 3.638 -17.071 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.693 3.462 -17.850 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.791 4.645 -18.827 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.919 5.205 -17.570 1.00 0.00 H new ATOM 337 N PRO A 21 2.218 3.099 -14.735 1.00 0.00 N ATOM 338 CA PRO A 21 2.746 2.772 -13.377 1.00 0.00 C ATOM 339 C PRO A 21 4.276 2.727 -13.346 1.00 0.00 C ATOM 340 O PRO A 21 4.892 2.934 -12.320 1.00 0.00 O ATOM 341 CB PRO A 21 2.180 1.384 -13.075 1.00 0.00 C ATOM 342 CG PRO A 21 0.978 1.233 -13.947 1.00 0.00 C ATOM 343 CD PRO A 21 1.187 2.134 -15.164 1.00 0.00 C ATOM 0 HA PRO A 21 2.456 3.529 -12.648 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.916 0.608 -13.286 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.913 1.292 -12.022 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.853 0.195 -14.254 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.074 1.517 -13.409 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.516 1.561 -16.031 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.264 2.639 -15.447 1.00 0.00 H new ATOM 351 N ALA A 22 4.894 2.454 -14.461 1.00 0.00 N ATOM 352 CA ALA A 22 6.383 2.393 -14.492 1.00 0.00 C ATOM 353 C ALA A 22 6.963 3.777 -14.192 1.00 0.00 C ATOM 354 O ALA A 22 8.063 3.902 -13.690 1.00 0.00 O ATOM 355 CB ALA A 22 6.846 1.934 -15.876 1.00 0.00 C ATOM 0 H ALA A 22 4.433 2.270 -15.352 1.00 0.00 H new ATOM 0 HA ALA A 22 6.731 1.686 -13.739 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.935 1.889 -15.899 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.438 0.946 -16.087 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.496 2.640 -16.629 1.00 0.00 H new ATOM 361 N ASP A 23 6.239 4.818 -14.498 1.00 0.00 N ATOM 362 CA ASP A 23 6.763 6.188 -14.232 1.00 0.00 C ATOM 363 C ASP A 23 6.410 6.611 -12.804 1.00 0.00 C ATOM 364 O ASP A 23 6.620 7.743 -12.417 1.00 0.00 O ATOM 365 CB ASP A 23 6.154 7.176 -15.233 1.00 0.00 C ATOM 366 CG ASP A 23 4.641 7.278 -15.019 1.00 0.00 C ATOM 367 OD1 ASP A 23 4.177 6.848 -13.977 1.00 0.00 O ATOM 368 OD2 ASP A 23 3.972 7.790 -15.902 1.00 0.00 O ATOM 0 H ASP A 23 5.311 4.780 -14.919 1.00 0.00 H new ATOM 0 HA ASP A 23 7.847 6.186 -14.344 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.613 8.157 -15.112 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.364 6.849 -16.252 1.00 0.00 H new ATOM 373 N VAL A 24 5.879 5.711 -12.017 1.00 0.00 N ATOM 374 CA VAL A 24 5.518 6.070 -10.613 1.00 0.00 C ATOM 375 C VAL A 24 6.465 5.362 -9.648 1.00 0.00 C ATOM 376 O VAL A 24 6.695 4.174 -9.751 1.00 0.00 O ATOM 377 CB VAL A 24 4.091 5.611 -10.313 1.00 0.00 C ATOM 378 CG1 VAL A 24 3.639 6.195 -8.974 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.155 6.089 -11.424 1.00 0.00 C ATOM 0 H VAL A 24 5.680 4.747 -12.284 1.00 0.00 H new ATOM 0 HA VAL A 24 5.595 7.151 -10.493 1.00 0.00 H new ATOM 0 HB VAL A 24 4.063 4.523 -10.262 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.622 5.868 -8.759 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.305 5.850 -8.183 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.668 7.283 -9.024 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.138 5.761 -11.209 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.181 7.177 -11.479 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.478 5.670 -12.377 1.00 0.00 H new ATOM 389 N ASP A 25 7.007 6.075 -8.701 1.00 0.00 N ATOM 390 CA ASP A 25 7.923 5.423 -7.730 1.00 0.00 C ATOM 391 C ASP A 25 7.105 4.896 -6.551 1.00 0.00 C ATOM 392 O ASP A 25 6.456 5.647 -5.850 1.00 0.00 O ATOM 393 CB ASP A 25 8.944 6.445 -7.227 1.00 0.00 C ATOM 394 CG ASP A 25 9.980 5.743 -6.348 1.00 0.00 C ATOM 395 OD1 ASP A 25 9.901 4.533 -6.222 1.00 0.00 O ATOM 396 OD2 ASP A 25 10.838 6.429 -5.816 1.00 0.00 O ATOM 0 H ASP A 25 6.856 7.074 -8.559 1.00 0.00 H new ATOM 0 HA ASP A 25 8.447 4.598 -8.213 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.436 6.929 -8.071 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.441 7.228 -6.660 1.00 0.00 H new ATOM 401 N VAL A 26 7.135 3.614 -6.317 1.00 0.00 N ATOM 402 CA VAL A 26 6.365 3.050 -5.179 1.00 0.00 C ATOM 403 C VAL A 26 7.088 3.391 -3.873 1.00 0.00 C ATOM 404 O VAL A 26 6.696 2.975 -2.802 1.00 0.00 O ATOM 405 CB VAL A 26 6.275 1.533 -5.349 1.00 0.00 C ATOM 406 CG1 VAL A 26 7.648 0.980 -5.736 1.00 0.00 C ATOM 407 CG2 VAL A 26 5.826 0.894 -4.039 1.00 0.00 C ATOM 0 H VAL A 26 7.660 2.934 -6.866 1.00 0.00 H new ATOM 0 HA VAL A 26 5.360 3.470 -5.153 1.00 0.00 H new ATOM 0 HB VAL A 26 5.553 1.302 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.584 -0.101 -5.857 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.971 1.432 -6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.369 1.215 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.763 -0.187 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.546 1.127 -3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.847 1.285 -3.760 1.00 0.00 H new ATOM 417 N ASP A 27 8.141 4.161 -3.956 1.00 0.00 N ATOM 418 CA ASP A 27 8.889 4.541 -2.729 1.00 0.00 C ATOM 419 C ASP A 27 8.443 5.934 -2.277 1.00 0.00 C ATOM 420 O ASP A 27 8.964 6.486 -1.328 1.00 0.00 O ATOM 421 CB ASP A 27 10.384 4.559 -3.040 1.00 0.00 C ATOM 422 CG ASP A 27 10.867 3.133 -3.310 1.00 0.00 C ATOM 423 OD1 ASP A 27 10.115 2.212 -3.037 1.00 0.00 O ATOM 424 OD2 ASP A 27 11.982 2.986 -3.783 1.00 0.00 O ATOM 0 H ASP A 27 8.514 4.543 -4.825 1.00 0.00 H new ATOM 0 HA ASP A 27 8.690 3.821 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.578 5.190 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.935 4.989 -2.203 1.00 0.00 H new ATOM 429 N LEU A 28 7.485 6.506 -2.953 1.00 0.00 N ATOM 430 CA LEU A 28 7.005 7.863 -2.567 1.00 0.00 C ATOM 431 C LEU A 28 5.744 7.731 -1.715 1.00 0.00 C ATOM 432 O LEU A 28 4.848 6.974 -2.030 1.00 0.00 O ATOM 433 CB LEU A 28 6.688 8.668 -3.828 1.00 0.00 C ATOM 434 CG LEU A 28 6.292 10.096 -3.444 1.00 0.00 C ATOM 435 CD1 LEU A 28 7.507 10.838 -2.881 1.00 0.00 C ATOM 436 CD2 LEU A 28 5.780 10.830 -4.685 1.00 0.00 C ATOM 0 H LEU A 28 7.013 6.092 -3.757 1.00 0.00 H new ATOM 0 HA LEU A 28 7.778 8.375 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.556 8.686 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.878 8.192 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 28 5.509 10.062 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.219 11.854 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.875 10.316 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.293 10.873 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.497 11.847 -4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.566 10.860 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.912 10.306 -5.085 1.00 0.00 H new ATOM 448 N ASP A 29 5.667 8.457 -0.635 1.00 0.00 N ATOM 449 CA ASP A 29 4.463 8.361 0.233 1.00 0.00 C ATOM 450 C ASP A 29 3.243 8.890 -0.532 1.00 0.00 C ATOM 451 O ASP A 29 3.332 9.842 -1.281 1.00 0.00 O ATOM 452 CB ASP A 29 4.679 9.189 1.502 1.00 0.00 C ATOM 453 CG ASP A 29 5.840 8.599 2.304 1.00 0.00 C ATOM 454 OD1 ASP A 29 6.207 7.467 2.032 1.00 0.00 O ATOM 455 OD2 ASP A 29 6.343 9.290 3.174 1.00 0.00 O ATOM 0 H ASP A 29 6.383 9.110 -0.317 1.00 0.00 H new ATOM 0 HA ASP A 29 4.293 7.321 0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.893 10.225 1.241 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.771 9.193 2.105 1.00 0.00 H new ATOM 460 N LEU A 30 2.109 8.269 -0.356 1.00 0.00 N ATOM 461 CA LEU A 30 0.881 8.717 -1.076 1.00 0.00 C ATOM 462 C LEU A 30 0.388 10.054 -0.523 1.00 0.00 C ATOM 463 O LEU A 30 -0.162 10.868 -1.236 1.00 0.00 O ATOM 464 CB LEU A 30 -0.221 7.673 -0.893 1.00 0.00 C ATOM 465 CG LEU A 30 0.209 6.343 -1.508 1.00 0.00 C ATOM 466 CD1 LEU A 30 -0.906 5.313 -1.306 1.00 0.00 C ATOM 467 CD2 LEU A 30 0.459 6.530 -3.007 1.00 0.00 C ATOM 0 H LEU A 30 1.979 7.466 0.259 1.00 0.00 H new ATOM 0 HA LEU A 30 1.123 8.836 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.434 7.540 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.142 8.019 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 30 1.124 5.997 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.605 4.361 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.090 5.181 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.817 5.663 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.766 5.581 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.457 6.873 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.246 7.269 -3.155 1.00 0.00 H new ATOM 479 N VAL A 31 0.558 10.278 0.747 1.00 0.00 N ATOM 480 CA VAL A 31 0.074 11.547 1.351 1.00 0.00 C ATOM 481 C VAL A 31 0.632 12.744 0.580 1.00 0.00 C ATOM 482 O VAL A 31 -0.091 13.654 0.222 1.00 0.00 O ATOM 483 CB VAL A 31 0.550 11.608 2.796 1.00 0.00 C ATOM 484 CG1 VAL A 31 0.061 10.367 3.542 1.00 0.00 C ATOM 485 CG2 VAL A 31 2.076 11.651 2.823 1.00 0.00 C ATOM 0 H VAL A 31 1.013 9.635 1.395 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.015 11.581 1.309 1.00 0.00 H new ATOM 0 HB VAL A 31 0.152 12.502 3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.400 10.408 4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.028 10.334 3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.462 9.473 3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.421 11.695 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.474 10.756 2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.425 12.534 2.287 1.00 0.00 H new ATOM 495 N ASP A 32 1.904 12.748 0.312 1.00 0.00 N ATOM 496 CA ASP A 32 2.499 13.883 -0.446 1.00 0.00 C ATOM 497 C ASP A 32 1.838 13.951 -1.821 1.00 0.00 C ATOM 498 O ASP A 32 1.631 15.012 -2.377 1.00 0.00 O ATOM 499 CB ASP A 32 4.004 13.659 -0.610 1.00 0.00 C ATOM 500 CG ASP A 32 4.684 13.741 0.757 1.00 0.00 C ATOM 501 OD1 ASP A 32 4.037 14.184 1.692 1.00 0.00 O ATOM 502 OD2 ASP A 32 5.839 13.360 0.846 1.00 0.00 O ATOM 0 H ASP A 32 2.559 12.015 0.584 1.00 0.00 H new ATOM 0 HA ASP A 32 2.336 14.817 0.092 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.190 12.685 -1.063 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.423 14.408 -1.282 1.00 0.00 H new ATOM 507 N ASN A 33 1.512 12.816 -2.370 1.00 0.00 N ATOM 508 CA ASN A 33 0.867 12.784 -3.709 1.00 0.00 C ATOM 509 C ASN A 33 -0.568 13.311 -3.615 1.00 0.00 C ATOM 510 O ASN A 33 -1.069 13.938 -4.528 1.00 0.00 O ATOM 511 CB ASN A 33 0.846 11.343 -4.209 1.00 0.00 C ATOM 512 CG ASN A 33 2.275 10.877 -4.492 1.00 0.00 C ATOM 513 OD1 ASN A 33 3.177 11.683 -4.612 1.00 0.00 O ATOM 514 ND2 ASN A 33 2.522 9.600 -4.607 1.00 0.00 N ATOM 0 H ASN A 33 1.666 11.902 -1.944 1.00 0.00 H new ATOM 0 HA ASN A 33 1.429 13.414 -4.399 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.382 10.696 -3.464 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.243 11.270 -5.114 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.471 9.279 -4.797 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.766 8.923 -4.506 1.00 0.00 H new ATOM 521 N GLY A 34 -1.234 13.057 -2.524 1.00 0.00 N ATOM 522 CA GLY A 34 -2.638 13.539 -2.379 1.00 0.00 C ATOM 523 C GLY A 34 -3.586 12.514 -2.997 1.00 0.00 C ATOM 524 O GLY A 34 -4.780 12.725 -3.081 1.00 0.00 O ATOM 0 H GLY A 34 -0.869 12.537 -1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.878 13.686 -1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.756 14.505 -2.871 1.00 0.00 H new ATOM 528 N VAL A 35 -3.062 11.401 -3.424 1.00 0.00 N ATOM 529 CA VAL A 35 -3.925 10.353 -4.031 1.00 0.00 C ATOM 530 C VAL A 35 -4.949 9.894 -2.996 1.00 0.00 C ATOM 531 O VAL A 35 -6.071 9.560 -3.321 1.00 0.00 O ATOM 532 CB VAL A 35 -3.062 9.164 -4.452 1.00 0.00 C ATOM 533 CG1 VAL A 35 -3.963 8.019 -4.920 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.138 9.583 -5.597 1.00 0.00 C ATOM 0 H VAL A 35 -2.069 11.171 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.436 10.756 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.463 8.833 -3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.347 7.171 -5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.622 7.719 -4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.562 8.351 -5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.523 8.735 -5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.737 9.915 -6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.495 10.399 -5.266 1.00 0.00 H new ATOM 544 N ILE A 36 -4.565 9.867 -1.751 1.00 0.00 N ATOM 545 CA ILE A 36 -5.507 9.421 -0.690 1.00 0.00 C ATOM 546 C ILE A 36 -6.659 10.413 -0.553 1.00 0.00 C ATOM 547 O ILE A 36 -6.569 11.398 0.152 1.00 0.00 O ATOM 548 CB ILE A 36 -4.763 9.325 0.639 1.00 0.00 C ATOM 549 CG1 ILE A 36 -3.698 8.242 0.543 1.00 0.00 C ATOM 550 CG2 ILE A 36 -5.741 8.959 1.750 1.00 0.00 C ATOM 551 CD1 ILE A 36 -2.854 8.251 1.815 1.00 0.00 C ATOM 0 H ILE A 36 -3.637 10.135 -1.423 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.910 8.445 -0.962 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.299 10.286 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.166 7.267 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.066 8.414 -0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.206 8.891 2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.513 9.725 1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.204 7.998 1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.090 7.476 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.376 9.224 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.493 8.059 2.677 1.00 0.00 H new ATOM 563 N ASP A 37 -7.748 10.143 -1.209 1.00 0.00 N ATOM 564 CA ASP A 37 -8.926 11.035 -1.116 1.00 0.00 C ATOM 565 C ASP A 37 -9.949 10.382 -0.187 1.00 0.00 C ATOM 566 O ASP A 37 -9.818 9.230 0.174 1.00 0.00 O ATOM 567 CB ASP A 37 -9.534 11.211 -2.507 1.00 0.00 C ATOM 568 CG ASP A 37 -8.569 11.999 -3.392 1.00 0.00 C ATOM 569 OD1 ASP A 37 -7.619 12.549 -2.857 1.00 0.00 O ATOM 570 OD2 ASP A 37 -8.793 12.040 -4.590 1.00 0.00 O ATOM 0 H ASP A 37 -7.871 9.331 -1.813 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.636 12.011 -0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.738 10.237 -2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.487 11.735 -2.435 1.00 0.00 H new ATOM 575 N ALA A 38 -10.967 11.092 0.200 1.00 0.00 N ATOM 576 CA ALA A 38 -11.982 10.477 1.099 1.00 0.00 C ATOM 577 C ALA A 38 -12.496 9.212 0.423 1.00 0.00 C ATOM 578 O ALA A 38 -12.528 8.143 1.004 1.00 0.00 O ATOM 579 CB ALA A 38 -13.139 11.455 1.318 1.00 0.00 C ATOM 0 H ALA A 38 -11.141 12.062 -0.063 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.541 10.240 2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.880 11.001 1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.761 12.370 1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.602 11.691 0.360 1.00 0.00 H new ATOM 585 N LEU A 39 -12.853 9.322 -0.823 1.00 0.00 N ATOM 586 CA LEU A 39 -13.314 8.130 -1.572 1.00 0.00 C ATOM 587 C LEU A 39 -12.094 7.254 -1.807 1.00 0.00 C ATOM 588 O LEU A 39 -12.170 6.043 -1.849 1.00 0.00 O ATOM 589 CB LEU A 39 -13.917 8.557 -2.910 1.00 0.00 C ATOM 590 CG LEU A 39 -15.232 9.295 -2.667 1.00 0.00 C ATOM 591 CD1 LEU A 39 -14.959 10.641 -1.993 1.00 0.00 C ATOM 592 CD2 LEU A 39 -15.936 9.530 -4.006 1.00 0.00 C ATOM 0 H LEU A 39 -12.844 10.192 -1.356 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.079 7.590 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.220 9.202 -3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.089 7.683 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 39 -15.867 8.692 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.902 11.161 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.459 10.475 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.321 11.247 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.875 10.057 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.296 10.129 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -16.139 8.571 -4.484 1.00 0.00 H new ATOM 604 N GLY A 40 -10.959 7.881 -1.956 1.00 0.00 N ATOM 605 CA GLY A 40 -9.705 7.123 -2.184 1.00 0.00 C ATOM 606 C GLY A 40 -9.474 6.172 -1.013 1.00 0.00 C ATOM 607 O GLY A 40 -9.203 5.002 -1.193 1.00 0.00 O ATOM 0 H GLY A 40 -10.850 8.895 -1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.769 6.562 -3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.864 7.809 -2.282 1.00 0.00 H new ATOM 611 N LEU A 41 -9.590 6.664 0.187 1.00 0.00 N ATOM 612 CA LEU A 41 -9.394 5.793 1.371 1.00 0.00 C ATOM 613 C LEU A 41 -10.464 4.703 1.375 1.00 0.00 C ATOM 614 O LEU A 41 -10.201 3.557 1.685 1.00 0.00 O ATOM 615 CB LEU A 41 -9.515 6.645 2.636 1.00 0.00 C ATOM 616 CG LEU A 41 -9.181 5.804 3.865 1.00 0.00 C ATOM 617 CD1 LEU A 41 -8.391 6.658 4.855 1.00 0.00 C ATOM 618 CD2 LEU A 41 -10.479 5.333 4.524 1.00 0.00 C ATOM 0 H LEU A 41 -9.813 7.637 0.397 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.409 5.328 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.840 7.499 2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.526 7.043 2.721 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.588 4.939 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.149 6.064 5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.470 7.002 4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.990 7.519 5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.244 4.732 5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.070 6.199 4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.050 4.732 3.816 1.00 0.00 H new ATOM 630 N LEU A 42 -11.674 5.051 1.031 1.00 0.00 N ATOM 631 CA LEU A 42 -12.759 4.032 1.015 1.00 0.00 C ATOM 632 C LEU A 42 -12.389 2.918 0.036 1.00 0.00 C ATOM 633 O LEU A 42 -12.509 1.746 0.334 1.00 0.00 O ATOM 634 CB LEU A 42 -14.058 4.700 0.550 1.00 0.00 C ATOM 635 CG LEU A 42 -15.194 3.675 0.512 1.00 0.00 C ATOM 636 CD1 LEU A 42 -16.011 3.765 1.801 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.094 3.965 -0.690 1.00 0.00 C ATOM 0 H LEU A 42 -11.956 5.993 0.761 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.891 3.613 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.317 5.517 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.918 5.136 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.778 2.672 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.819 3.034 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -15.366 3.559 2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -16.431 4.766 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.905 3.237 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.510 4.968 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.509 3.896 -1.607 1.00 0.00 H new ATOM 649 N LYS A 43 -11.942 3.278 -1.127 1.00 0.00 N ATOM 650 CA LYS A 43 -11.563 2.251 -2.130 1.00 0.00 C ATOM 651 C LYS A 43 -10.418 1.396 -1.582 1.00 0.00 C ATOM 652 O LYS A 43 -10.325 0.216 -1.854 1.00 0.00 O ATOM 653 CB LYS A 43 -11.113 2.938 -3.417 1.00 0.00 C ATOM 654 CG LYS A 43 -12.302 3.648 -4.067 1.00 0.00 C ATOM 655 CD LYS A 43 -11.872 4.235 -5.414 1.00 0.00 C ATOM 656 CE LYS A 43 -13.029 5.032 -6.018 1.00 0.00 C ATOM 657 NZ LYS A 43 -13.289 6.240 -5.184 1.00 0.00 N ATOM 0 H LYS A 43 -11.821 4.245 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.423 1.614 -2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.323 3.657 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.695 2.203 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.124 2.947 -4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.668 4.440 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.003 4.880 -5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.574 3.435 -6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.787 5.327 -7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.924 4.412 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.179 6.115 -4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.507 6.372 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.363 7.076 -5.798 1.00 0.00 H new ATOM 671 N VAL A 44 -9.540 1.989 -0.819 1.00 0.00 N ATOM 672 CA VAL A 44 -8.395 1.220 -0.261 1.00 0.00 C ATOM 673 C VAL A 44 -8.908 0.086 0.624 1.00 0.00 C ATOM 674 O VAL A 44 -8.466 -1.041 0.525 1.00 0.00 O ATOM 675 CB VAL A 44 -7.513 2.153 0.572 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.446 1.332 1.298 1.00 0.00 C ATOM 677 CG2 VAL A 44 -6.831 3.165 -0.352 1.00 0.00 C ATOM 0 H VAL A 44 -9.568 2.975 -0.559 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.815 0.799 -1.082 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.128 2.679 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.817 1.996 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.928 0.607 1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.831 0.807 0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.202 3.831 0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.216 2.636 -1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.589 3.750 -0.874 1.00 0.00 H new ATOM 687 N ILE A 45 -9.831 0.376 1.494 1.00 0.00 N ATOM 688 CA ILE A 45 -10.370 -0.676 2.398 1.00 0.00 C ATOM 689 C ILE A 45 -11.178 -1.723 1.618 1.00 0.00 C ATOM 690 O ILE A 45 -11.172 -2.889 1.952 1.00 0.00 O ATOM 691 CB ILE A 45 -11.271 -0.019 3.443 1.00 0.00 C ATOM 692 CG1 ILE A 45 -10.425 0.432 4.638 1.00 0.00 C ATOM 693 CG2 ILE A 45 -12.323 -1.020 3.912 1.00 0.00 C ATOM 694 CD1 ILE A 45 -9.450 1.524 4.197 1.00 0.00 C ATOM 0 H ILE A 45 -10.239 1.303 1.619 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.532 -1.182 2.878 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.766 0.846 3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.071 0.807 5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.876 -0.416 5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.965 -0.551 4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.926 -1.339 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.830 -1.887 4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.850 1.842 5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.795 1.134 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.009 2.375 3.809 1.00 0.00 H new ATOM 706 N ALA A 46 -11.903 -1.316 0.609 1.00 0.00 N ATOM 707 CA ALA A 46 -12.741 -2.295 -0.152 1.00 0.00 C ATOM 708 C ALA A 46 -11.880 -3.302 -0.929 1.00 0.00 C ATOM 709 O ALA A 46 -12.101 -4.497 -0.865 1.00 0.00 O ATOM 710 CB ALA A 46 -13.629 -1.533 -1.136 1.00 0.00 C ATOM 0 H ALA A 46 -11.952 -0.352 0.278 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.345 -2.851 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.243 -2.240 -1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.274 -0.846 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.004 -0.969 -1.828 1.00 0.00 H new ATOM 716 N TRP A 47 -10.911 -2.846 -1.674 1.00 0.00 N ATOM 717 CA TRP A 47 -10.077 -3.808 -2.453 1.00 0.00 C ATOM 718 C TRP A 47 -9.053 -4.477 -1.537 1.00 0.00 C ATOM 719 O TRP A 47 -8.815 -5.666 -1.620 1.00 0.00 O ATOM 720 CB TRP A 47 -9.353 -3.070 -3.582 1.00 0.00 C ATOM 721 CG TRP A 47 -7.882 -3.318 -3.479 1.00 0.00 C ATOM 722 CD1 TRP A 47 -7.271 -4.506 -3.688 1.00 0.00 C ATOM 723 CD2 TRP A 47 -6.832 -2.373 -3.150 1.00 0.00 C ATOM 724 NE1 TRP A 47 -5.911 -4.349 -3.487 1.00 0.00 N ATOM 725 CE2 TRP A 47 -5.591 -3.048 -3.155 1.00 0.00 C ATOM 726 CE3 TRP A 47 -6.844 -1.009 -2.845 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -4.398 -2.385 -2.864 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -5.649 -0.332 -2.552 1.00 0.00 C ATOM 729 CH2 TRP A 47 -4.427 -1.019 -2.560 1.00 0.00 C ATOM 0 H TRP A 47 -10.662 -1.862 -1.778 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.726 -4.573 -2.879 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -9.723 -3.411 -4.549 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.557 -2.001 -3.521 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.763 -5.426 -3.966 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.229 -5.102 -3.574 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.780 -0.471 -2.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.461 -2.921 -2.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.672 0.722 -2.320 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.510 -0.496 -2.332 1.00 0.00 H new ATOM 740 N LEU A 48 -8.436 -3.724 -0.674 1.00 0.00 N ATOM 741 CA LEU A 48 -7.415 -4.316 0.234 1.00 0.00 C ATOM 742 C LEU A 48 -8.035 -5.414 1.101 1.00 0.00 C ATOM 743 O LEU A 48 -7.442 -6.452 1.317 1.00 0.00 O ATOM 744 CB LEU A 48 -6.852 -3.215 1.138 1.00 0.00 C ATOM 745 CG LEU A 48 -5.786 -3.800 2.065 1.00 0.00 C ATOM 746 CD1 LEU A 48 -4.642 -2.796 2.223 1.00 0.00 C ATOM 747 CD2 LEU A 48 -6.399 -4.086 3.443 1.00 0.00 C ATOM 0 H LEU A 48 -8.594 -2.723 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.619 -4.755 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.422 -2.418 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.654 -2.770 1.727 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.406 -4.727 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.881 -3.212 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.202 -2.590 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.027 -1.870 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.637 -4.503 4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.780 -3.159 3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.216 -4.800 3.337 1.00 0.00 H new ATOM 759 N GLU A 49 -9.214 -5.194 1.610 1.00 0.00 N ATOM 760 CA GLU A 49 -9.853 -6.224 2.470 1.00 0.00 C ATOM 761 C GLU A 49 -10.320 -7.403 1.613 1.00 0.00 C ATOM 762 O GLU A 49 -10.266 -8.544 2.025 1.00 0.00 O ATOM 763 CB GLU A 49 -11.042 -5.585 3.192 1.00 0.00 C ATOM 764 CG GLU A 49 -12.221 -5.459 2.239 1.00 0.00 C ATOM 765 CD GLU A 49 -13.337 -4.655 2.908 1.00 0.00 C ATOM 766 OE1 GLU A 49 -13.192 -4.333 4.075 1.00 0.00 O ATOM 767 OE2 GLU A 49 -14.321 -4.376 2.241 1.00 0.00 O ATOM 0 H GLU A 49 -9.762 -4.345 1.467 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.137 -6.597 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.323 -6.190 4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.763 -4.602 3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.907 -4.968 1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.586 -6.448 1.964 1.00 0.00 H new ATOM 774 N ASP A 50 -10.791 -7.131 0.428 1.00 0.00 N ATOM 775 CA ASP A 50 -11.282 -8.227 -0.457 1.00 0.00 C ATOM 776 C ASP A 50 -10.160 -9.222 -0.785 1.00 0.00 C ATOM 777 O ASP A 50 -10.384 -10.414 -0.863 1.00 0.00 O ATOM 778 CB ASP A 50 -11.798 -7.615 -1.756 1.00 0.00 C ATOM 779 CG ASP A 50 -12.488 -8.694 -2.592 1.00 0.00 C ATOM 780 OD1 ASP A 50 -12.625 -9.800 -2.099 1.00 0.00 O ATOM 781 OD2 ASP A 50 -12.869 -8.393 -3.712 1.00 0.00 O ATOM 0 H ASP A 50 -10.858 -6.193 0.032 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.076 -8.763 0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.497 -6.808 -1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.972 -7.178 -2.317 1.00 0.00 H new ATOM 786 N ARG A 51 -8.971 -8.745 -1.015 1.00 0.00 N ATOM 787 CA ARG A 51 -7.851 -9.661 -1.381 1.00 0.00 C ATOM 788 C ARG A 51 -7.515 -10.656 -0.263 1.00 0.00 C ATOM 789 O ARG A 51 -7.203 -11.799 -0.534 1.00 0.00 O ATOM 790 CB ARG A 51 -6.615 -8.832 -1.710 1.00 0.00 C ATOM 791 CG ARG A 51 -6.830 -8.122 -3.045 1.00 0.00 C ATOM 792 CD ARG A 51 -5.562 -7.364 -3.438 1.00 0.00 C ATOM 793 NE ARG A 51 -5.794 -6.641 -4.720 1.00 0.00 N ATOM 794 CZ ARG A 51 -5.750 -7.290 -5.852 1.00 0.00 C ATOM 795 NH1 ARG A 51 -5.500 -8.571 -5.860 1.00 0.00 N ATOM 796 NH2 ARG A 51 -5.953 -6.658 -6.976 1.00 0.00 N ATOM 0 H ARG A 51 -8.723 -7.757 -0.966 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.170 -10.242 -2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.431 -8.102 -0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.735 -9.473 -1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.085 -8.848 -3.817 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.669 -7.431 -2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.290 -6.658 -2.654 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.729 -8.058 -3.545 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.987 -5.639 -4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.339 -9.065 -4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.466 -9.078 -6.744 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.146 -5.656 -6.970 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.918 -7.166 -7.860 1.00 0.00 H new ATOM 810 N PHE A 52 -7.546 -10.251 0.977 1.00 0.00 N ATOM 811 CA PHE A 52 -7.192 -11.205 2.063 1.00 0.00 C ATOM 812 C PHE A 52 -8.454 -11.781 2.707 1.00 0.00 C ATOM 813 O PHE A 52 -8.390 -12.688 3.512 1.00 0.00 O ATOM 814 CB PHE A 52 -6.342 -10.474 3.103 1.00 0.00 C ATOM 815 CG PHE A 52 -4.996 -10.164 2.492 1.00 0.00 C ATOM 816 CD1 PHE A 52 -4.825 -9.004 1.728 1.00 0.00 C ATOM 817 CD2 PHE A 52 -3.924 -11.046 2.679 1.00 0.00 C ATOM 818 CE1 PHE A 52 -3.580 -8.724 1.151 1.00 0.00 C ATOM 819 CE2 PHE A 52 -2.680 -10.765 2.101 1.00 0.00 C ATOM 820 CZ PHE A 52 -2.507 -9.604 1.338 1.00 0.00 C ATOM 0 H PHE A 52 -7.798 -9.311 1.282 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.624 -12.037 1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.836 -9.554 3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.220 -11.091 3.994 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.653 -8.325 1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.057 -11.941 3.268 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.447 -7.829 0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.853 -11.445 2.244 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.547 -9.387 0.894 1.00 0.00 H new ATOM 830 N GLY A 53 -9.604 -11.276 2.356 1.00 0.00 N ATOM 831 CA GLY A 53 -10.857 -11.814 2.947 1.00 0.00 C ATOM 832 C GLY A 53 -10.920 -11.418 4.415 1.00 0.00 C ATOM 833 O GLY A 53 -11.472 -12.123 5.236 1.00 0.00 O ATOM 0 H GLY A 53 -9.728 -10.516 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.723 -11.423 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.885 -12.899 2.848 1.00 0.00 H new ATOM 837 N ILE A 54 -10.350 -10.295 4.751 1.00 0.00 N ATOM 838 CA ILE A 54 -10.365 -9.852 6.169 1.00 0.00 C ATOM 839 C ILE A 54 -11.347 -8.693 6.332 1.00 0.00 C ATOM 840 O ILE A 54 -11.617 -7.963 5.404 1.00 0.00 O ATOM 841 CB ILE A 54 -8.959 -9.404 6.563 1.00 0.00 C ATOM 842 CG1 ILE A 54 -8.523 -8.250 5.657 1.00 0.00 C ATOM 843 CG2 ILE A 54 -7.989 -10.577 6.405 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.109 -7.809 6.035 1.00 0.00 C ATOM 0 H ILE A 54 -9.875 -9.666 4.104 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.679 -10.674 6.812 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.957 -9.071 7.601 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.551 -8.563 4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.215 -7.414 5.757 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.985 -10.259 6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.303 -11.398 7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.987 -10.910 5.367 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.799 -6.987 5.389 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.096 -7.479 7.074 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.422 -8.646 5.912 1.00 0.00 H new ATOM 856 N ALA A 55 -11.894 -8.524 7.505 1.00 0.00 N ATOM 857 CA ALA A 55 -12.868 -7.415 7.716 1.00 0.00 C ATOM 858 C ALA A 55 -12.160 -6.226 8.367 1.00 0.00 C ATOM 859 O ALA A 55 -11.410 -6.376 9.311 1.00 0.00 O ATOM 860 CB ALA A 55 -13.998 -7.896 8.629 1.00 0.00 C ATOM 0 H ALA A 55 -11.710 -9.104 8.324 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.280 -7.109 6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.711 -7.086 8.784 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.505 -8.742 8.165 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.584 -8.203 9.589 1.00 0.00 H new ATOM 866 N ALA A 56 -12.394 -5.043 7.869 1.00 0.00 N ATOM 867 CA ALA A 56 -11.738 -3.843 8.458 1.00 0.00 C ATOM 868 C ALA A 56 -12.252 -3.625 9.883 1.00 0.00 C ATOM 869 O ALA A 56 -11.554 -3.115 10.732 1.00 0.00 O ATOM 870 CB ALA A 56 -12.066 -2.615 7.606 1.00 0.00 C ATOM 0 H ALA A 56 -13.012 -4.856 7.079 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.659 -3.994 8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.587 -1.735 8.036 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.700 -2.768 6.591 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.145 -2.465 7.584 1.00 0.00 H new ATOM 876 N ASP A 57 -13.469 -4.006 10.149 1.00 0.00 N ATOM 877 CA ASP A 57 -14.033 -3.818 11.513 1.00 0.00 C ATOM 878 C ASP A 57 -13.160 -4.530 12.550 1.00 0.00 C ATOM 879 O ASP A 57 -13.014 -4.078 13.668 1.00 0.00 O ATOM 880 CB ASP A 57 -15.445 -4.397 11.554 1.00 0.00 C ATOM 881 CG ASP A 57 -16.371 -3.552 10.679 1.00 0.00 C ATOM 882 OD1 ASP A 57 -15.958 -2.475 10.279 1.00 0.00 O ATOM 883 OD2 ASP A 57 -17.478 -3.995 10.422 1.00 0.00 O ATOM 0 H ASP A 57 -14.100 -4.442 9.477 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.060 -2.754 11.746 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.436 -5.428 11.202 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.813 -4.414 12.580 1.00 0.00 H new ATOM 888 N ASP A 58 -12.589 -5.647 12.193 1.00 0.00 N ATOM 889 CA ASP A 58 -11.739 -6.395 13.165 1.00 0.00 C ATOM 890 C ASP A 58 -10.637 -5.487 13.720 1.00 0.00 C ATOM 891 O ASP A 58 -10.308 -5.547 14.888 1.00 0.00 O ATOM 892 CB ASP A 58 -11.103 -7.593 12.464 1.00 0.00 C ATOM 893 CG ASP A 58 -12.187 -8.610 12.103 1.00 0.00 C ATOM 894 OD1 ASP A 58 -13.296 -8.461 12.588 1.00 0.00 O ATOM 895 OD2 ASP A 58 -11.890 -9.520 11.346 1.00 0.00 O ATOM 0 H ASP A 58 -12.673 -6.075 11.271 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.364 -6.736 13.990 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.582 -7.266 11.564 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.359 -8.054 13.113 1.00 0.00 H new ATOM 900 N VAL A 59 -10.059 -4.657 12.895 1.00 0.00 N ATOM 901 CA VAL A 59 -8.975 -3.758 13.372 1.00 0.00 C ATOM 902 C VAL A 59 -9.282 -2.315 12.966 1.00 0.00 C ATOM 903 O VAL A 59 -10.013 -2.065 12.032 1.00 0.00 O ATOM 904 CB VAL A 59 -7.664 -4.194 12.730 1.00 0.00 C ATOM 905 CG1 VAL A 59 -7.315 -5.611 13.186 1.00 0.00 C ATOM 906 CG2 VAL A 59 -7.813 -4.174 11.207 1.00 0.00 C ATOM 0 H VAL A 59 -10.294 -4.564 11.907 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.900 -3.814 14.458 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.870 -3.511 13.030 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.377 -5.921 12.725 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.210 -5.629 14.271 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.109 -6.295 12.887 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.876 -4.486 10.746 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.609 -4.857 10.910 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.061 -3.165 10.879 1.00 0.00 H new ATOM 916 N GLU A 60 -8.724 -1.359 13.657 1.00 0.00 N ATOM 917 CA GLU A 60 -8.986 0.063 13.298 1.00 0.00 C ATOM 918 C GLU A 60 -7.849 0.575 12.412 1.00 0.00 C ATOM 919 O GLU A 60 -6.687 0.437 12.737 1.00 0.00 O ATOM 920 CB GLU A 60 -9.063 0.907 14.571 1.00 0.00 C ATOM 921 CG GLU A 60 -9.472 2.333 14.215 1.00 0.00 C ATOM 922 CD GLU A 60 -9.447 3.203 15.472 1.00 0.00 C ATOM 923 OE1 GLU A 60 -9.100 2.685 16.521 1.00 0.00 O ATOM 924 OE2 GLU A 60 -9.775 4.373 15.366 1.00 0.00 O ATOM 0 H GLU A 60 -8.100 -1.500 14.452 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.931 0.137 12.760 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.784 0.473 15.264 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.097 0.910 15.076 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.794 2.740 13.465 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.470 2.337 13.777 1.00 0.00 H new ATOM 931 N LEU A 61 -8.173 1.160 11.291 1.00 0.00 N ATOM 932 CA LEU A 61 -7.117 1.674 10.387 1.00 0.00 C ATOM 933 C LEU A 61 -6.987 3.189 10.551 1.00 0.00 C ATOM 934 O LEU A 61 -7.970 3.903 10.590 1.00 0.00 O ATOM 935 CB LEU A 61 -7.501 1.351 8.944 1.00 0.00 C ATOM 936 CG LEU A 61 -7.749 -0.149 8.801 1.00 0.00 C ATOM 937 CD1 LEU A 61 -8.041 -0.481 7.336 1.00 0.00 C ATOM 938 CD2 LEU A 61 -6.509 -0.920 9.259 1.00 0.00 C ATOM 0 H LEU A 61 -9.129 1.302 10.965 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.164 1.205 10.633 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.396 1.906 8.663 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.706 1.664 8.267 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.602 -0.434 9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.218 -1.552 7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.925 0.066 7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.188 -0.194 6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.688 -1.990 9.156 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.655 -0.634 8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.300 -0.686 10.303 1.00 0.00 H new ATOM 950 N SER A 62 -5.782 3.684 10.635 1.00 0.00 N ATOM 951 CA SER A 62 -5.582 5.150 10.782 1.00 0.00 C ATOM 952 C SER A 62 -4.985 5.699 9.485 1.00 0.00 C ATOM 953 O SER A 62 -4.357 4.980 8.734 1.00 0.00 O ATOM 954 CB SER A 62 -4.623 5.421 11.941 1.00 0.00 C ATOM 955 OG SER A 62 -3.630 6.349 11.522 1.00 0.00 O ATOM 0 H SER A 62 -4.925 3.132 10.608 1.00 0.00 H new ATOM 0 HA SER A 62 -6.536 5.636 10.986 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.170 5.818 12.796 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.155 4.492 12.266 1.00 0.00 H new ATOM 0 HG SER A 62 -3.014 6.526 12.263 1.00 0.00 H new ATOM 961 N PRO A 63 -5.174 6.962 9.226 1.00 0.00 N ATOM 962 CA PRO A 63 -4.641 7.613 7.998 1.00 0.00 C ATOM 963 C PRO A 63 -3.122 7.455 7.886 1.00 0.00 C ATOM 964 O PRO A 63 -2.557 7.508 6.812 1.00 0.00 O ATOM 965 CB PRO A 63 -5.017 9.093 8.155 1.00 0.00 C ATOM 966 CG PRO A 63 -5.423 9.268 9.583 1.00 0.00 C ATOM 967 CD PRO A 63 -5.909 7.907 10.070 1.00 0.00 C ATOM 0 HA PRO A 63 -5.053 7.165 7.094 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.174 9.738 7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.832 9.362 7.482 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.583 9.617 10.184 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.211 10.015 9.672 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.689 7.757 11.127 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.987 7.799 9.950 1.00 0.00 H new ATOM 975 N GLU A 64 -2.459 7.255 8.993 1.00 0.00 N ATOM 976 CA GLU A 64 -0.985 7.086 8.967 1.00 0.00 C ATOM 977 C GLU A 64 -0.646 5.756 8.310 1.00 0.00 C ATOM 978 O GLU A 64 0.392 5.601 7.702 1.00 0.00 O ATOM 979 CB GLU A 64 -0.452 7.102 10.396 1.00 0.00 C ATOM 980 CG GLU A 64 -0.774 8.441 11.046 1.00 0.00 C ATOM 981 CD GLU A 64 -0.159 8.493 12.446 1.00 0.00 C ATOM 982 OE1 GLU A 64 0.319 7.466 12.900 1.00 0.00 O ATOM 983 OE2 GLU A 64 -0.176 9.558 13.041 1.00 0.00 O ATOM 0 H GLU A 64 -2.882 7.202 9.919 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.529 7.898 8.401 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.899 6.291 10.971 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.625 6.936 10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.384 9.256 10.436 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.854 8.577 11.107 1.00 0.00 H new ATOM 990 N HIS A 65 -1.514 4.795 8.425 1.00 0.00 N ATOM 991 CA HIS A 65 -1.238 3.474 7.807 1.00 0.00 C ATOM 992 C HIS A 65 -1.218 3.631 6.289 1.00 0.00 C ATOM 993 O HIS A 65 -0.703 2.797 5.570 1.00 0.00 O ATOM 994 CB HIS A 65 -2.328 2.482 8.213 1.00 0.00 C ATOM 995 CG HIS A 65 -2.323 1.314 7.266 1.00 0.00 C ATOM 996 ND1 HIS A 65 -3.496 0.760 6.771 1.00 0.00 N ATOM 997 CD2 HIS A 65 -1.300 0.589 6.708 1.00 0.00 C ATOM 998 CE1 HIS A 65 -3.152 -0.251 5.953 1.00 0.00 C ATOM 999 NE2 HIS A 65 -1.828 -0.395 5.881 1.00 0.00 N ATOM 0 H HIS A 65 -2.403 4.867 8.920 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.273 3.099 8.148 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.159 2.137 9.233 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.302 2.971 8.199 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -4.445 1.064 6.988 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.248 0.757 6.884 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.860 -0.869 5.421 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.769 4.705 5.799 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.782 4.938 4.332 1.00 0.00 C ATOM 1010 C PHE A 66 -0.560 5.777 3.961 1.00 0.00 C ATOM 1011 O PHE A 66 -0.472 6.338 2.887 1.00 0.00 O ATOM 1012 CB PHE A 66 -3.060 5.687 3.954 1.00 0.00 C ATOM 1013 CG PHE A 66 -4.260 4.907 4.433 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.558 4.854 5.799 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -5.075 4.236 3.513 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.671 4.131 6.247 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -6.186 3.513 3.960 1.00 0.00 C ATOM 1018 CZ PHE A 66 -6.485 3.462 5.327 1.00 0.00 C ATOM 0 H PHE A 66 -2.213 5.435 6.356 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.752 3.989 3.797 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.057 6.681 4.401 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.109 5.823 2.874 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.929 5.371 6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.846 4.277 2.458 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.900 4.090 7.302 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.813 2.994 3.250 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.344 2.906 5.671 1.00 0.00 H new ATOM 1028 N ARG A 67 0.375 5.867 4.860 1.00 0.00 N ATOM 1029 CA ARG A 67 1.602 6.666 4.610 1.00 0.00 C ATOM 1030 C ARG A 67 2.205 6.325 3.243 1.00 0.00 C ATOM 1031 O ARG A 67 2.694 7.191 2.545 1.00 0.00 O ATOM 1032 CB ARG A 67 2.608 6.343 5.715 1.00 0.00 C ATOM 1033 CG ARG A 67 2.947 4.853 5.667 1.00 0.00 C ATOM 1034 CD ARG A 67 3.067 4.307 7.091 1.00 0.00 C ATOM 1035 NE ARG A 67 3.850 3.038 7.078 1.00 0.00 N ATOM 1036 CZ ARG A 67 3.864 2.272 8.135 1.00 0.00 C ATOM 1037 NH1 ARG A 67 3.216 2.632 9.209 1.00 0.00 N ATOM 1038 NH2 ARG A 67 4.527 1.149 8.120 1.00 0.00 N ATOM 0 H ARG A 67 0.340 5.413 5.773 1.00 0.00 H new ATOM 0 HA ARG A 67 1.356 7.728 4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.512 6.938 5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.192 6.602 6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.173 4.311 5.123 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.882 4.700 5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.556 5.041 7.732 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.076 4.130 7.508 1.00 0.00 H new ATOM 0 HE ARG A 67 4.374 2.769 6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.699 3.511 9.222 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.226 2.034 10.035 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.036 0.868 7.282 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.537 0.552 8.947 1.00 0.00 H new ATOM 1052 N SER A 68 2.186 5.080 2.848 1.00 0.00 N ATOM 1053 CA SER A 68 2.775 4.723 1.522 1.00 0.00 C ATOM 1054 C SER A 68 2.200 3.394 1.024 1.00 0.00 C ATOM 1055 O SER A 68 1.844 2.531 1.800 1.00 0.00 O ATOM 1056 CB SER A 68 4.292 4.601 1.659 1.00 0.00 C ATOM 1057 OG SER A 68 4.862 4.365 0.379 1.00 0.00 O ATOM 0 H SER A 68 1.793 4.302 3.378 1.00 0.00 H new ATOM 0 HA SER A 68 2.529 5.505 0.803 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.704 5.513 2.091 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.543 3.786 2.337 1.00 0.00 H new ATOM 0 HG SER A 68 5.764 4.746 0.347 1.00 0.00 H new ATOM 1063 N ILE A 69 2.113 3.224 -0.270 1.00 0.00 N ATOM 1064 CA ILE A 69 1.569 1.951 -0.826 1.00 0.00 C ATOM 1065 C ILE A 69 2.404 0.780 -0.313 1.00 0.00 C ATOM 1066 O ILE A 69 1.885 -0.253 0.066 1.00 0.00 O ATOM 1067 CB ILE A 69 1.649 1.981 -2.356 1.00 0.00 C ATOM 1068 CG1 ILE A 69 1.681 3.427 -2.845 1.00 0.00 C ATOM 1069 CG2 ILE A 69 0.427 1.279 -2.943 1.00 0.00 C ATOM 1070 CD1 ILE A 69 3.124 3.934 -2.844 1.00 0.00 C ATOM 0 H ILE A 69 2.396 3.914 -0.966 1.00 0.00 H new ATOM 0 HA ILE A 69 0.531 1.837 -0.514 1.00 0.00 H new ATOM 0 HB ILE A 69 2.557 1.470 -2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.262 3.492 -3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.064 4.054 -2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.483 1.300 -4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.402 0.244 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.478 1.791 -2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.147 4.966 -3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.527 3.884 -1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.728 3.314 -3.506 1.00 0.00 H new ATOM 1082 N ARG A 70 3.698 0.934 -0.302 1.00 0.00 N ATOM 1083 CA ARG A 70 4.578 -0.162 0.181 1.00 0.00 C ATOM 1084 C ARG A 70 4.198 -0.520 1.616 1.00 0.00 C ATOM 1085 O ARG A 70 4.151 -1.677 1.987 1.00 0.00 O ATOM 1086 CB ARG A 70 6.033 0.309 0.129 1.00 0.00 C ATOM 1087 CG ARG A 70 6.182 1.580 0.970 1.00 0.00 C ATOM 1088 CD ARG A 70 7.365 2.404 0.454 1.00 0.00 C ATOM 1089 NE ARG A 70 8.632 1.654 0.676 1.00 0.00 N ATOM 1090 CZ ARG A 70 9.278 1.776 1.804 1.00 0.00 C ATOM 1091 NH1 ARG A 70 8.809 2.545 2.748 1.00 0.00 N ATOM 1092 NH2 ARG A 70 10.393 1.123 1.989 1.00 0.00 N ATOM 0 H ARG A 70 4.185 1.776 -0.608 1.00 0.00 H new ATOM 0 HA ARG A 70 4.459 -1.043 -0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.694 -0.471 0.507 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.328 0.504 -0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.267 2.170 0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.337 1.319 2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.238 2.616 -0.608 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.404 3.364 0.969 1.00 0.00 H new ATOM 0 HE ARG A 70 8.996 1.043 -0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.936 3.053 2.606 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.316 2.639 3.628 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.758 0.519 1.253 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.899 1.217 2.870 1.00 0.00 H new ATOM 1106 N SER A 71 3.914 0.461 2.425 1.00 0.00 N ATOM 1107 CA SER A 71 3.527 0.176 3.831 1.00 0.00 C ATOM 1108 C SER A 71 2.184 -0.555 3.853 1.00 0.00 C ATOM 1109 O SER A 71 1.940 -1.400 4.690 1.00 0.00 O ATOM 1110 CB SER A 71 3.400 1.494 4.591 1.00 0.00 C ATOM 1111 OG SER A 71 2.280 2.216 4.097 1.00 0.00 O ATOM 0 H SER A 71 3.934 1.449 2.172 1.00 0.00 H new ATOM 0 HA SER A 71 4.286 -0.449 4.301 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.282 1.302 5.657 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.309 2.084 4.472 1.00 0.00 H new ATOM 0 HG SER A 71 2.404 2.400 3.142 1.00 0.00 H new ATOM 1117 N ILE A 72 1.307 -0.237 2.937 1.00 0.00 N ATOM 1118 CA ILE A 72 -0.014 -0.912 2.906 1.00 0.00 C ATOM 1119 C ILE A 72 0.179 -2.416 2.718 1.00 0.00 C ATOM 1120 O ILE A 72 -0.355 -3.217 3.458 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.837 -0.347 1.750 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -1.143 1.130 2.013 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -2.142 -1.123 1.628 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.831 1.737 0.788 1.00 0.00 C ATOM 0 H ILE A 72 1.453 0.463 2.210 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.537 -0.737 3.846 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.271 -0.440 0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.784 1.229 2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.221 1.670 2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.729 -0.720 0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.924 -2.174 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.708 -1.031 2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.048 2.788 0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.174 1.652 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.761 1.204 0.592 1.00 0.00 H new ATOM 1136 N ASP A 73 0.941 -2.809 1.734 1.00 0.00 N ATOM 1137 CA ASP A 73 1.164 -4.263 1.511 1.00 0.00 C ATOM 1138 C ASP A 73 1.799 -4.866 2.763 1.00 0.00 C ATOM 1139 O ASP A 73 1.445 -5.943 3.200 1.00 0.00 O ATOM 1140 CB ASP A 73 2.110 -4.457 0.326 1.00 0.00 C ATOM 1141 CG ASP A 73 2.050 -5.912 -0.145 1.00 0.00 C ATOM 1142 OD1 ASP A 73 1.246 -6.655 0.395 1.00 0.00 O ATOM 1143 OD2 ASP A 73 2.808 -6.257 -1.036 1.00 0.00 O ATOM 0 H ASP A 73 1.416 -2.189 1.078 1.00 0.00 H new ATOM 0 HA ASP A 73 0.213 -4.753 1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.831 -3.789 -0.489 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.129 -4.199 0.615 1.00 0.00 H new ATOM 1148 N ALA A 74 2.738 -4.170 3.338 1.00 0.00 N ATOM 1149 CA ALA A 74 3.412 -4.682 4.561 1.00 0.00 C ATOM 1150 C ALA A 74 2.424 -4.729 5.726 1.00 0.00 C ATOM 1151 O ALA A 74 2.464 -5.619 6.548 1.00 0.00 O ATOM 1152 CB ALA A 74 4.578 -3.758 4.913 1.00 0.00 C ATOM 0 H ALA A 74 3.069 -3.263 3.011 1.00 0.00 H new ATOM 0 HA ALA A 74 3.782 -5.690 4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.077 -4.127 5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.287 -3.736 4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.202 -2.751 5.096 1.00 0.00 H new ATOM 1158 N PHE A 75 1.546 -3.772 5.816 1.00 0.00 N ATOM 1159 CA PHE A 75 0.569 -3.772 6.940 1.00 0.00 C ATOM 1160 C PHE A 75 -0.297 -5.031 6.870 1.00 0.00 C ATOM 1161 O PHE A 75 -0.471 -5.732 7.847 1.00 0.00 O ATOM 1162 CB PHE A 75 -0.326 -2.540 6.839 1.00 0.00 C ATOM 1163 CG PHE A 75 -1.207 -2.455 8.063 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -0.725 -1.855 9.232 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -2.505 -2.976 8.028 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -1.542 -1.776 10.366 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -3.323 -2.898 9.161 1.00 0.00 C ATOM 1168 CZ PHE A 75 -2.841 -2.298 10.331 1.00 0.00 C ATOM 0 H PHE A 75 1.462 -2.992 5.164 1.00 0.00 H new ATOM 0 HA PHE A 75 1.111 -3.755 7.886 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.284 -1.641 6.754 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.939 -2.596 5.940 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.277 -1.453 9.259 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.876 -3.439 7.126 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.170 -1.312 11.268 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.325 -3.300 9.133 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.471 -2.238 11.206 1.00 0.00 H new ATOM 1178 N VAL A 76 -0.851 -5.319 5.723 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.711 -6.522 5.591 1.00 0.00 C ATOM 1180 C VAL A 76 -0.858 -7.788 5.715 1.00 0.00 C ATOM 1181 O VAL A 76 -1.181 -8.694 6.459 1.00 0.00 O ATOM 1182 CB VAL A 76 -2.379 -6.497 4.222 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -3.340 -7.674 4.107 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -3.150 -5.187 4.055 1.00 0.00 C ATOM 0 H VAL A 76 -0.742 -4.769 4.871 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.465 -6.522 6.378 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.620 -6.571 3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.819 -7.658 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.789 -8.607 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.100 -7.600 4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.628 -5.169 3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.911 -5.111 4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.461 -4.346 4.138 1.00 0.00 H new ATOM 1194 N VAL A 77 0.230 -7.858 4.996 1.00 0.00 N ATOM 1195 CA VAL A 77 1.098 -9.058 5.078 1.00 0.00 C ATOM 1196 C VAL A 77 1.778 -9.092 6.445 1.00 0.00 C ATOM 1197 O VAL A 77 1.892 -10.125 7.074 1.00 0.00 O ATOM 1198 CB VAL A 77 2.154 -8.980 3.976 1.00 0.00 C ATOM 1199 CG1 VAL A 77 3.133 -10.138 4.130 1.00 0.00 C ATOM 1200 CG2 VAL A 77 1.471 -9.068 2.610 1.00 0.00 C ATOM 0 H VAL A 77 0.552 -7.132 4.356 1.00 0.00 H new ATOM 0 HA VAL A 77 0.503 -9.962 4.950 1.00 0.00 H new ATOM 0 HB VAL A 77 2.693 -8.035 4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.887 -10.084 3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.618 -10.077 5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.595 -11.082 4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.223 -9.012 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.933 -10.013 2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.769 -8.241 2.500 1.00 0.00 H new ATOM 1210 N GLY A 78 2.231 -7.960 6.902 1.00 0.00 N ATOM 1211 CA GLY A 78 2.911 -7.896 8.224 1.00 0.00 C ATOM 1212 C GLY A 78 1.953 -8.355 9.325 1.00 0.00 C ATOM 1213 O GLY A 78 2.340 -9.030 10.258 1.00 0.00 O ATOM 0 H GLY A 78 2.159 -7.068 6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.800 -8.527 8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.245 -6.878 8.422 1.00 0.00 H new ATOM 1217 N ALA A 79 0.706 -7.982 9.233 1.00 0.00 N ATOM 1218 CA ALA A 79 -0.273 -8.387 10.282 1.00 0.00 C ATOM 1219 C ALA A 79 -0.517 -9.896 10.224 1.00 0.00 C ATOM 1220 O ALA A 79 -0.611 -10.557 11.240 1.00 0.00 O ATOM 1221 CB ALA A 79 -1.595 -7.650 10.053 1.00 0.00 C ATOM 0 H ALA A 79 0.323 -7.414 8.477 1.00 0.00 H new ATOM 0 HA ALA A 79 0.130 -8.130 11.262 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.313 -7.944 10.819 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.426 -6.575 10.108 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.988 -7.906 9.069 1.00 0.00 H new ATOM 1227 N THR A 80 -0.625 -10.447 9.048 1.00 0.00 N ATOM 1228 CA THR A 80 -0.868 -11.911 8.932 1.00 0.00 C ATOM 1229 C THR A 80 0.454 -12.661 9.063 1.00 0.00 C ATOM 1230 O THR A 80 0.499 -13.785 9.524 1.00 0.00 O ATOM 1231 CB THR A 80 -1.501 -12.216 7.572 1.00 0.00 C ATOM 1232 OG1 THR A 80 -0.563 -11.937 6.542 1.00 0.00 O ATOM 1233 CG2 THR A 80 -2.746 -11.347 7.378 1.00 0.00 C ATOM 0 H THR A 80 -0.555 -9.947 8.162 1.00 0.00 H new ATOM 0 HA THR A 80 -1.543 -12.231 9.726 1.00 0.00 H new ATOM 0 HB THR A 80 -1.785 -13.268 7.532 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.966 -12.133 5.671 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.195 -11.566 6.409 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.466 -11.561 8.168 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.465 -10.295 7.418 1.00 0.00 H new ATOM 1241 N THR A 81 1.529 -12.048 8.657 1.00 0.00 N ATOM 1242 CA THR A 81 2.849 -12.717 8.746 1.00 0.00 C ATOM 1243 C THR A 81 3.873 -11.748 9.348 1.00 0.00 C ATOM 1244 O THR A 81 3.733 -10.551 9.237 1.00 0.00 O ATOM 1245 CB THR A 81 3.292 -13.126 7.345 1.00 0.00 C ATOM 1246 OG1 THR A 81 2.640 -12.306 6.386 1.00 0.00 O ATOM 1247 CG2 THR A 81 2.927 -14.590 7.100 1.00 0.00 C ATOM 0 H THR A 81 1.547 -11.106 8.265 1.00 0.00 H new ATOM 0 HA THR A 81 2.775 -13.600 9.381 1.00 0.00 H new ATOM 0 HB THR A 81 4.371 -13.003 7.254 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.703 -11.368 6.661 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.244 -14.881 6.099 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.428 -15.218 7.836 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.848 -14.716 7.190 1.00 0.00 H new ATOM 1255 N PRO A 82 4.897 -12.262 9.978 1.00 0.00 N ATOM 1256 CA PRO A 82 5.959 -11.415 10.599 1.00 0.00 C ATOM 1257 C PRO A 82 6.700 -10.573 9.543 1.00 0.00 C ATOM 1258 O PRO A 82 7.415 -11.111 8.721 1.00 0.00 O ATOM 1259 CB PRO A 82 6.920 -12.426 11.238 1.00 0.00 C ATOM 1260 CG PRO A 82 6.620 -13.741 10.595 1.00 0.00 C ATOM 1261 CD PRO A 82 5.158 -13.694 10.164 1.00 0.00 C ATOM 0 HA PRO A 82 5.545 -10.705 11.315 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.958 -12.138 11.071 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.773 -12.476 12.317 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.271 -13.910 9.737 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.792 -14.561 11.292 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.994 -14.254 9.243 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.503 -14.126 10.921 1.00 0.00 H new ATOM 1269 N PRO A 83 6.529 -9.268 9.545 1.00 0.00 N ATOM 1270 CA PRO A 83 7.193 -8.381 8.550 1.00 0.00 C ATOM 1271 C PRO A 83 8.674 -8.150 8.848 1.00 0.00 C ATOM 1272 O PRO A 83 9.109 -8.188 9.982 1.00 0.00 O ATOM 1273 CB PRO A 83 6.427 -7.066 8.649 1.00 0.00 C ATOM 1274 CG PRO A 83 5.824 -7.045 10.016 1.00 0.00 C ATOM 1275 CD PRO A 83 5.696 -8.497 10.485 1.00 0.00 C ATOM 0 HA PRO A 83 7.171 -8.828 7.556 1.00 0.00 H new ATOM 0 HB2 PRO A 83 7.092 -6.215 8.502 1.00 0.00 H new ATOM 0 HB3 PRO A 83 5.656 -7.004 7.881 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.450 -6.474 10.702 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.848 -6.561 9.997 1.00 0.00 H new ATOM 0 HD2 PRO A 83 6.045 -8.614 11.511 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.659 -8.831 10.461 1.00 0.00 H new ATOM 1283 N VAL A 84 9.445 -7.897 7.831 1.00 0.00 N ATOM 1284 CA VAL A 84 10.899 -7.647 8.034 1.00 0.00 C ATOM 1285 C VAL A 84 11.171 -6.145 7.910 1.00 0.00 C ATOM 1286 O VAL A 84 10.733 -5.506 6.974 1.00 0.00 O ATOM 1287 CB VAL A 84 11.703 -8.401 6.974 1.00 0.00 C ATOM 1288 CG1 VAL A 84 13.197 -8.224 7.243 1.00 0.00 C ATOM 1289 CG2 VAL A 84 11.348 -9.889 7.031 1.00 0.00 C ATOM 0 H VAL A 84 9.130 -7.852 6.862 1.00 0.00 H new ATOM 0 HA VAL A 84 11.196 -7.995 9.024 1.00 0.00 H new ATOM 0 HB VAL A 84 11.464 -8.006 5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 84 13.769 -8.762 6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.451 -7.165 7.204 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.438 -8.619 8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 84 11.920 -10.429 6.276 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.588 -10.283 8.019 1.00 0.00 H new ATOM 0 HG23 VAL A 84 10.283 -10.017 6.839 1.00 0.00 H new ATOM 1299 N GLU A 85 11.892 -5.581 8.843 1.00 0.00 N ATOM 1300 CA GLU A 85 12.194 -4.119 8.781 1.00 0.00 C ATOM 1301 C GLU A 85 10.964 -3.357 8.279 1.00 0.00 C ATOM 1302 O GLU A 85 10.951 -2.829 7.185 1.00 0.00 O ATOM 1303 CB GLU A 85 13.365 -3.883 7.824 1.00 0.00 C ATOM 1304 CG GLU A 85 13.788 -2.414 7.888 1.00 0.00 C ATOM 1305 CD GLU A 85 14.893 -2.157 6.861 1.00 0.00 C ATOM 1306 OE1 GLU A 85 15.249 -3.087 6.157 1.00 0.00 O ATOM 1307 OE2 GLU A 85 15.366 -1.033 6.797 1.00 0.00 O ATOM 0 H GLU A 85 12.286 -6.070 9.647 1.00 0.00 H new ATOM 0 HA GLU A 85 12.456 -3.762 9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 85 14.203 -4.526 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.075 -4.145 6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.933 -1.769 7.687 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.143 -2.170 8.889 1.00 0.00 H new ATOM 1314 N ALA A 86 9.927 -3.300 9.070 1.00 0.00 N ATOM 1315 CA ALA A 86 8.696 -2.578 8.639 1.00 0.00 C ATOM 1316 C ALA A 86 9.023 -1.105 8.375 1.00 0.00 C ATOM 1317 O ALA A 86 9.909 -0.537 8.981 1.00 0.00 O ATOM 1318 CB ALA A 86 7.638 -2.674 9.739 1.00 0.00 C ATOM 0 H ALA A 86 9.879 -3.723 9.997 1.00 0.00 H new ATOM 0 HA ALA A 86 8.316 -3.032 7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.737 -2.146 9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.399 -3.721 9.924 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.022 -2.223 10.654 1.00 0.00 H new ATOM 1324 N LYS A 87 8.310 -0.484 7.474 1.00 0.00 N ATOM 1325 CA LYS A 87 8.571 0.952 7.167 1.00 0.00 C ATOM 1326 C LYS A 87 8.469 1.774 8.453 1.00 0.00 C ATOM 1327 O LYS A 87 9.230 2.694 8.675 1.00 0.00 O ATOM 1328 CB LYS A 87 7.525 1.448 6.166 1.00 0.00 C ATOM 1329 CG LYS A 87 7.818 2.901 5.779 1.00 0.00 C ATOM 1330 CD LYS A 87 6.691 3.418 4.881 1.00 0.00 C ATOM 1331 CE LYS A 87 7.054 4.801 4.334 1.00 0.00 C ATOM 1332 NZ LYS A 87 7.988 5.480 5.275 1.00 0.00 N ATOM 0 H LYS A 87 7.556 -0.911 6.936 1.00 0.00 H new ATOM 0 HA LYS A 87 9.569 1.061 6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.533 0.818 5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.529 1.373 6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.900 3.519 6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.773 2.966 5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.523 2.724 4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.760 3.473 5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.517 4.705 3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.153 5.400 4.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.035 6.493 5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.646 5.361 6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.936 5.060 5.187 1.00 0.00 H new ATOM 1346 N LEU A 88 7.533 1.448 9.302 1.00 0.00 N ATOM 1347 CA LEU A 88 7.382 2.211 10.573 1.00 0.00 C ATOM 1348 C LEU A 88 8.684 2.126 11.375 1.00 0.00 C ATOM 1349 O LEU A 88 9.092 3.075 12.014 1.00 0.00 O ATOM 1350 CB LEU A 88 6.237 1.613 11.393 1.00 0.00 C ATOM 1351 CG LEU A 88 5.993 2.473 12.636 1.00 0.00 C ATOM 1352 CD1 LEU A 88 5.417 3.831 12.222 1.00 0.00 C ATOM 1353 CD2 LEU A 88 5.002 1.761 13.559 1.00 0.00 C ATOM 0 H LEU A 88 6.867 0.687 9.170 1.00 0.00 H new ATOM 0 HA LEU A 88 7.161 3.254 10.348 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.331 1.563 10.789 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.481 0.592 11.687 1.00 0.00 H new ATOM 0 HG LEU A 88 6.937 2.627 13.159 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.245 4.439 13.110 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.122 4.340 11.564 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.474 3.681 11.697 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.827 2.371 14.445 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.060 1.607 13.032 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.412 0.797 13.858 1.00 0.00 H new ATOM 1365 N GLN A 89 9.336 0.997 11.346 1.00 0.00 N ATOM 1366 CA GLN A 89 10.608 0.851 12.107 1.00 0.00 C ATOM 1367 C GLN A 89 11.793 1.111 11.175 1.00 0.00 C ATOM 1368 O GLN A 89 12.322 0.152 10.639 1.00 0.00 O ATOM 1369 CB GLN A 89 10.707 -0.568 12.672 1.00 0.00 C ATOM 1370 CG GLN A 89 9.580 -0.794 13.682 1.00 0.00 C ATOM 1371 CD GLN A 89 9.645 -2.230 14.208 1.00 0.00 C ATOM 1372 OE1 GLN A 89 10.295 -3.074 13.624 1.00 0.00 O ATOM 1373 NE2 GLN A 89 8.994 -2.543 15.294 1.00 0.00 N ATOM 1374 OXT GLN A 89 12.151 2.267 11.012 1.00 0.00 O ATOM 0 H GLN A 89 9.043 0.169 10.828 1.00 0.00 H new ATOM 0 HA GLN A 89 10.624 1.570 12.926 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.639 -1.298 11.865 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.675 -0.713 13.152 1.00 0.00 H new ATOM 0 HG2 GLN A 89 9.671 -0.089 14.508 1.00 0.00 H new ATOM 0 HG3 GLN A 89 8.614 -0.611 13.212 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.448 -1.834 15.784 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.030 -3.497 15.653 1.00 0.00 H new TER 1383 GLN A 89