USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 385 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 58 ASN : amide:sc= 0.401 K(o=0.4,f=-0.17) USER MOD Set 1.2: A 59 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 39 CYS SG : rot -97:sc= 0.233 USER MOD Set 2.2: A 51 CYS SG : rot 63:sc= 1.88 USER MOD Set 3.1: A 40 ASN : amide:sc= -2.84! C(o=-2.5!,f=-1.1!) USER MOD Set 3.2: A 48 THR OG1 : rot 86:sc= 0.306 USER MOD Set 4.1: A 27 ASN : amide:sc= 1.79 K(o=4.6,f=3.3) USER MOD Set 4.2: A 34 CYS SG : rot 156:sc= 1.78 USER MOD Set 4.3: A 60 CYS SG : rot 99:sc= 1.08 USER MOD Set 5.1: A 13 CYS SG : rot 150:sc= 0.393 USER MOD Set 5.2: A 25 CYS SG : rot 65:sc= 1.54 USER MOD Set 5.3: A 38 CYS SG : rot -94:sc= 1.41 USER MOD Set 5.4: A 42 CYS SG : rot -71:sc= 1.25 USER MOD Single : A 6 HIS : no HD1:sc= -0.415 X(o=-0.42,f=-0.039) USER MOD Single : A 10 ASN : amide:sc= -2.82! C(o=-2.8!,f=-8.6!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.184 X(o=0.18,f=0) USER MOD Single : A 15 TYR OH : rot 162:sc= 0.623 USER MOD Single : A 16 THR OG1 : rot 56:sc= 0.313 USER MOD Single : A 17 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.021) USER MOD Single : A 18 SER OG : rot 180:sc= 0.002 USER MOD Single : A 19 GLN : amide:sc= 1.19 K(o=1.2,f=-0.028) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -75:sc= 1.26 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.01 K(o=1,f=-0.067) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0241 K(o=-0.024,f=-1.6) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -8.255 0.786 8.305 1.00 0.00 N ATOM 16 CA ASP A 2 -8.619 1.191 6.955 1.00 0.00 C ATOM 17 C ASP A 2 -7.599 2.247 6.512 1.00 0.00 C ATOM 18 O ASP A 2 -7.081 2.972 7.358 1.00 0.00 O ATOM 19 CB ASP A 2 -10.069 1.691 6.940 1.00 0.00 C ATOM 20 CG ASP A 2 -11.088 0.542 7.054 1.00 0.00 C ATOM 21 OD1 ASP A 2 -11.374 0.037 8.163 1.00 0.00 O ATOM 22 OD2 ASP A 2 -11.559 0.042 6.006 1.00 0.00 O ATOM 0 HA ASP A 2 -8.585 0.362 6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.218 2.388 7.764 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.250 2.244 6.018 1.00 0.00 H new ATOM 27 N PRO A 3 -7.283 2.362 5.213 1.00 0.00 N ATOM 28 CA PRO A 3 -6.294 3.295 4.660 1.00 0.00 C ATOM 29 C PRO A 3 -6.840 4.722 4.572 1.00 0.00 C ATOM 30 O PRO A 3 -6.252 5.594 3.942 1.00 0.00 O ATOM 31 CB PRO A 3 -6.015 2.745 3.261 1.00 0.00 C ATOM 32 CG PRO A 3 -7.368 2.181 2.834 1.00 0.00 C ATOM 33 CD PRO A 3 -7.945 1.646 4.144 1.00 0.00 C ATOM 0 HA PRO A 3 -5.404 3.361 5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.671 3.526 2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.244 1.975 3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.005 2.949 2.396 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.260 1.393 2.089 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.023 1.801 4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.774 0.573 4.233 1.00 0.00 H new ATOM 41 N GLU A 4 -8.025 4.934 5.128 1.00 0.00 N ATOM 42 CA GLU A 4 -8.600 6.244 5.316 1.00 0.00 C ATOM 43 C GLU A 4 -7.806 6.991 6.391 1.00 0.00 C ATOM 44 O GLU A 4 -7.124 7.970 6.090 1.00 0.00 O ATOM 45 CB GLU A 4 -10.057 6.066 5.761 1.00 0.00 C ATOM 46 CG GLU A 4 -10.689 7.440 6.039 1.00 0.00 C ATOM 47 CD GLU A 4 -12.211 7.434 6.136 1.00 0.00 C ATOM 48 OE1 GLU A 4 -12.839 6.376 6.358 1.00 0.00 O ATOM 49 OE2 GLU A 4 -12.798 8.524 5.938 1.00 0.00 O ATOM 0 H GLU A 4 -8.621 4.178 5.466 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.565 6.819 4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.622 5.546 4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.100 5.448 6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.281 7.831 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.392 8.128 5.248 1.00 0.00 H new ATOM 56 N GLU A 5 -7.917 6.546 7.651 1.00 0.00 N ATOM 57 CA GLU A 5 -7.445 7.189 8.847 1.00 0.00 C ATOM 58 C GLU A 5 -5.930 7.024 9.017 1.00 0.00 C ATOM 59 O GLU A 5 -5.295 7.670 9.854 1.00 0.00 O ATOM 60 CB GLU A 5 -8.304 6.596 9.972 1.00 0.00 C ATOM 61 CG GLU A 5 -7.824 7.112 11.306 1.00 0.00 C ATOM 62 CD GLU A 5 -8.844 6.997 12.432 1.00 0.00 C ATOM 63 OE1 GLU A 5 -9.053 5.878 12.954 1.00 0.00 O ATOM 64 OE2 GLU A 5 -9.420 8.029 12.848 1.00 0.00 O ATOM 0 H GLU A 5 -8.377 5.659 7.856 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.560 8.273 8.833 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.350 6.864 9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.247 5.508 9.951 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.925 6.566 11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.540 8.159 11.196 1.00 0.00 H new ATOM 71 N HIS A 6 -5.336 6.208 8.159 1.00 0.00 N ATOM 72 CA HIS A 6 -3.925 5.963 8.084 1.00 0.00 C ATOM 73 C HIS A 6 -3.590 6.203 6.631 1.00 0.00 C ATOM 74 O HIS A 6 -3.830 5.330 5.800 1.00 0.00 O ATOM 75 CB HIS A 6 -3.613 4.537 8.538 1.00 0.00 C ATOM 76 CG HIS A 6 -4.182 4.213 9.893 1.00 0.00 C ATOM 77 ND1 HIS A 6 -3.523 4.284 11.102 1.00 0.00 N ATOM 78 CD2 HIS A 6 -5.502 3.921 10.132 1.00 0.00 C ATOM 79 CE1 HIS A 6 -4.427 3.999 12.053 1.00 0.00 C ATOM 80 NE2 HIS A 6 -5.635 3.735 11.513 1.00 0.00 N ATOM 0 H HIS A 6 -5.863 5.677 7.466 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.332 6.604 8.736 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -4.010 3.834 7.806 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.532 4.397 8.561 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.288 3.849 9.395 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.215 3.983 13.112 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.479 3.455 12.013 1.00 0.00 H new ATOM 88 N PHE A 7 -3.105 7.404 6.347 1.00 0.00 N ATOM 89 CA PHE A 7 -2.444 7.819 5.131 1.00 0.00 C ATOM 90 C PHE A 7 -1.284 8.664 5.658 1.00 0.00 C ATOM 91 O PHE A 7 -1.526 9.623 6.394 1.00 0.00 O ATOM 92 CB PHE A 7 -3.445 8.591 4.259 1.00 0.00 C ATOM 93 CG PHE A 7 -3.019 8.946 2.846 1.00 0.00 C ATOM 94 CD1 PHE A 7 -1.703 8.748 2.382 1.00 0.00 C ATOM 95 CD2 PHE A 7 -3.981 9.476 1.965 1.00 0.00 C ATOM 96 CE1 PHE A 7 -1.359 9.072 1.067 1.00 0.00 C ATOM 97 CE2 PHE A 7 -3.640 9.794 0.640 1.00 0.00 C ATOM 98 CZ PHE A 7 -2.328 9.580 0.193 1.00 0.00 C ATOM 0 H PHE A 7 -3.172 8.169 7.018 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.079 7.019 4.487 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.360 8.002 4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.697 9.517 4.776 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.955 8.343 3.048 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.991 9.640 2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.345 8.930 0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.383 10.201 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.064 9.808 -0.829 1.00 0.00 H new ATOM 108 N ASP A 8 -0.032 8.244 5.447 1.00 0.00 N ATOM 109 CA ASP A 8 1.144 9.001 5.893 1.00 0.00 C ATOM 110 C ASP A 8 2.265 8.792 4.867 1.00 0.00 C ATOM 111 O ASP A 8 3.087 7.884 5.028 1.00 0.00 O ATOM 112 CB ASP A 8 1.567 8.646 7.336 1.00 0.00 C ATOM 113 CG ASP A 8 2.448 9.758 7.914 1.00 0.00 C ATOM 114 OD1 ASP A 8 3.491 10.079 7.300 1.00 0.00 O ATOM 115 OD2 ASP A 8 2.025 10.417 8.894 1.00 0.00 O ATOM 0 H ASP A 8 0.195 7.374 4.965 1.00 0.00 H new ATOM 0 HA ASP A 8 0.899 10.062 5.940 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.683 8.510 7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.110 7.701 7.342 1.00 0.00 H new ATOM 120 N PRO A 9 2.238 9.530 3.742 1.00 0.00 N ATOM 121 CA PRO A 9 3.218 9.381 2.682 1.00 0.00 C ATOM 122 C PRO A 9 4.534 10.029 3.072 1.00 0.00 C ATOM 123 O PRO A 9 4.594 11.243 3.297 1.00 0.00 O ATOM 124 CB PRO A 9 2.633 10.054 1.441 1.00 0.00 C ATOM 125 CG PRO A 9 1.536 10.980 1.968 1.00 0.00 C ATOM 126 CD PRO A 9 1.250 10.541 3.401 1.00 0.00 C ATOM 0 HA PRO A 9 3.425 8.328 2.492 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.396 10.615 0.900 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.227 9.317 0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.859 12.021 1.938 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.639 10.907 1.354 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.314 11.388 4.084 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.241 10.138 3.487 1.00 0.00 H new ATOM 134 N ASN A 10 5.613 9.247 3.061 1.00 0.00 N ATOM 135 CA ASN A 10 6.934 9.850 3.017 1.00 0.00 C ATOM 136 C ASN A 10 7.163 10.444 1.626 1.00 0.00 C ATOM 137 O ASN A 10 6.359 10.288 0.701 1.00 0.00 O ATOM 138 CB ASN A 10 8.034 8.890 3.492 1.00 0.00 C ATOM 139 CG ASN A 10 8.558 7.865 2.491 1.00 0.00 C ATOM 140 OD1 ASN A 10 8.700 8.115 1.302 1.00 0.00 O ATOM 141 ND2 ASN A 10 8.985 6.715 2.979 1.00 0.00 N ATOM 0 H ASN A 10 5.598 8.227 3.081 1.00 0.00 H new ATOM 0 HA ASN A 10 6.988 10.670 3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.879 9.489 3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.656 8.349 4.360 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.433 6.035 2.365 1.00 0.00 H new ATOM 0 HD22 ASN A 10 8.867 6.506 3.970 1.00 0.00 H new ATOM 148 N THR A 11 8.276 11.149 1.467 1.00 0.00 N ATOM 149 CA THR A 11 8.523 11.993 0.296 1.00 0.00 C ATOM 150 C THR A 11 9.107 11.199 -0.883 1.00 0.00 C ATOM 151 O THR A 11 9.921 11.696 -1.662 1.00 0.00 O ATOM 152 CB THR A 11 9.280 13.266 0.706 1.00 0.00 C ATOM 153 OG1 THR A 11 10.555 13.045 1.298 1.00 0.00 O ATOM 154 CG2 THR A 11 8.429 14.068 1.698 1.00 0.00 C ATOM 0 H THR A 11 9.037 11.154 2.146 1.00 0.00 H new ATOM 0 HA THR A 11 7.575 12.349 -0.107 1.00 0.00 H new ATOM 0 HB THR A 11 9.457 13.805 -0.225 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.964 13.906 1.525 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.965 14.971 1.990 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.484 14.342 1.228 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.232 13.461 2.582 1.00 0.00 H new ATOM 162 N ASN A 12 8.675 9.943 -1.005 1.00 0.00 N ATOM 163 CA ASN A 12 8.930 9.007 -2.089 1.00 0.00 C ATOM 164 C ASN A 12 7.599 8.470 -2.647 1.00 0.00 C ATOM 165 O ASN A 12 7.609 7.751 -3.649 1.00 0.00 O ATOM 166 CB ASN A 12 9.829 7.885 -1.547 1.00 0.00 C ATOM 167 CG ASN A 12 10.801 7.277 -2.542 1.00 0.00 C ATOM 168 OD1 ASN A 12 12.012 7.435 -2.394 1.00 0.00 O ATOM 169 ND2 ASN A 12 10.320 6.527 -3.515 1.00 0.00 N ATOM 0 H ASN A 12 8.088 9.524 -0.284 1.00 0.00 H new ATOM 0 HA ASN A 12 9.442 9.497 -2.917 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.399 8.277 -0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.192 7.090 -1.159 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.956 6.064 -4.164 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.312 6.410 -3.618 1.00 0.00 H new ATOM 176 N CYS A 13 6.450 8.782 -2.020 1.00 0.00 N ATOM 177 CA CYS A 13 5.120 8.554 -2.569 1.00 0.00 C ATOM 178 C CYS A 13 4.804 9.544 -3.707 1.00 0.00 C ATOM 179 O CYS A 13 5.304 10.670 -3.704 1.00 0.00 O ATOM 180 CB CYS A 13 4.114 8.744 -1.432 1.00 0.00 C ATOM 181 SG CYS A 13 2.380 8.569 -1.911 1.00 0.00 S ATOM 0 H CYS A 13 6.431 9.210 -1.094 1.00 0.00 H new ATOM 0 HA CYS A 13 5.065 7.548 -2.985 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.334 8.020 -0.648 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.258 9.735 -1.001 1.00 0.00 H new ATOM 0 HG CYS A 13 1.695 8.119 -0.902 1.00 0.00 H new ATOM 186 N ASP A 14 3.903 9.161 -4.625 1.00 0.00 N ATOM 187 CA ASP A 14 3.456 9.994 -5.757 1.00 0.00 C ATOM 188 C ASP A 14 1.929 10.166 -5.823 1.00 0.00 C ATOM 189 O ASP A 14 1.436 11.053 -6.524 1.00 0.00 O ATOM 190 CB ASP A 14 3.913 9.338 -7.072 1.00 0.00 C ATOM 191 CG ASP A 14 3.996 10.289 -8.269 1.00 0.00 C ATOM 192 OD1 ASP A 14 4.700 11.323 -8.201 1.00 0.00 O ATOM 193 OD2 ASP A 14 3.453 9.911 -9.337 1.00 0.00 O ATOM 0 H ASP A 14 3.454 8.245 -4.602 1.00 0.00 H new ATOM 0 HA ASP A 14 3.897 10.980 -5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.893 8.887 -6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.225 8.528 -7.316 1.00 0.00 H new ATOM 198 N TYR A 15 1.146 9.296 -5.167 1.00 0.00 N ATOM 199 CA TYR A 15 -0.312 9.263 -5.321 1.00 0.00 C ATOM 200 C TYR A 15 -0.962 9.804 -4.063 1.00 0.00 C ATOM 201 O TYR A 15 -0.733 9.291 -2.972 1.00 0.00 O ATOM 202 CB TYR A 15 -0.856 7.865 -5.638 1.00 0.00 C ATOM 203 CG TYR A 15 -0.585 7.300 -7.025 1.00 0.00 C ATOM 204 CD1 TYR A 15 0.330 7.888 -7.921 1.00 0.00 C ATOM 205 CD2 TYR A 15 -1.290 6.151 -7.426 1.00 0.00 C ATOM 206 CE1 TYR A 15 0.584 7.319 -9.176 1.00 0.00 C ATOM 207 CE2 TYR A 15 -1.062 5.583 -8.696 1.00 0.00 C ATOM 208 CZ TYR A 15 -0.116 6.163 -9.580 1.00 0.00 C ATOM 209 OH TYR A 15 0.122 5.634 -10.813 1.00 0.00 O ATOM 0 H TYR A 15 1.507 8.598 -4.517 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.560 9.889 -6.178 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.444 7.170 -4.906 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.935 7.883 -5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.845 8.793 -7.635 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.010 5.702 -6.758 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.315 7.765 -9.834 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.610 4.702 -8.997 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.194 4.707 -10.838 1.00 0.00 H new ATOM 219 N THR A 16 -1.831 10.795 -4.226 1.00 0.00 N ATOM 220 CA THR A 16 -2.431 11.536 -3.129 1.00 0.00 C ATOM 221 C THR A 16 -3.907 11.142 -3.014 1.00 0.00 C ATOM 222 O THR A 16 -4.787 12.004 -2.942 1.00 0.00 O ATOM 223 CB THR A 16 -2.169 13.045 -3.280 1.00 0.00 C ATOM 224 OG1 THR A 16 -2.957 13.585 -4.327 1.00 0.00 O ATOM 225 CG2 THR A 16 -0.691 13.375 -3.534 1.00 0.00 C ATOM 0 H THR A 16 -2.143 11.110 -5.145 1.00 0.00 H new ATOM 0 HA THR A 16 -1.966 11.275 -2.178 1.00 0.00 H new ATOM 0 HB THR A 16 -2.448 13.499 -2.329 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.902 13.382 -4.164 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.571 14.454 -3.632 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.089 13.017 -2.699 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.362 12.889 -4.452 1.00 0.00 H new ATOM 233 N ASN A 17 -4.209 9.847 -3.144 1.00 0.00 N ATOM 234 CA ASN A 17 -5.556 9.311 -2.930 1.00 0.00 C ATOM 235 C ASN A 17 -5.416 7.909 -2.354 1.00 0.00 C ATOM 236 O ASN A 17 -4.675 7.106 -2.926 1.00 0.00 O ATOM 237 CB ASN A 17 -6.450 9.227 -4.187 1.00 0.00 C ATOM 238 CG ASN A 17 -6.178 10.227 -5.293 1.00 0.00 C ATOM 239 OD1 ASN A 17 -6.991 11.090 -5.608 1.00 0.00 O ATOM 240 ND2 ASN A 17 -5.047 10.084 -5.952 1.00 0.00 N ATOM 0 H ASN A 17 -3.523 9.138 -3.402 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.054 10.013 -2.261 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.353 8.225 -4.605 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.487 9.343 -3.873 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.835 10.697 -6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.383 9.361 -5.675 1.00 0.00 H new ATOM 247 N SER A 18 -6.151 7.622 -1.283 1.00 0.00 N ATOM 248 CA SER A 18 -6.063 6.406 -0.479 1.00 0.00 C ATOM 249 C SER A 18 -6.256 5.148 -1.340 1.00 0.00 C ATOM 250 O SER A 18 -5.383 4.284 -1.362 1.00 0.00 O ATOM 251 CB SER A 18 -7.044 6.510 0.712 1.00 0.00 C ATOM 252 OG SER A 18 -8.341 6.883 0.273 1.00 0.00 O ATOM 0 H SER A 18 -6.862 8.265 -0.934 1.00 0.00 H new ATOM 0 HA SER A 18 -5.061 6.307 -0.063 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.093 5.553 1.231 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.674 7.243 1.429 1.00 0.00 H new ATOM 0 HG SER A 18 -8.943 6.940 1.044 1.00 0.00 H new ATOM 258 N GLN A 19 -7.376 5.037 -2.068 1.00 0.00 N ATOM 259 CA GLN A 19 -7.707 3.849 -2.864 1.00 0.00 C ATOM 260 C GLN A 19 -6.710 3.653 -4.019 1.00 0.00 C ATOM 261 O GLN A 19 -6.260 2.536 -4.249 1.00 0.00 O ATOM 262 CB GLN A 19 -9.158 3.957 -3.371 1.00 0.00 C ATOM 263 CG GLN A 19 -9.684 2.748 -4.169 1.00 0.00 C ATOM 264 CD GLN A 19 -10.209 1.628 -3.276 1.00 0.00 C ATOM 265 OE1 GLN A 19 -11.254 1.776 -2.641 1.00 0.00 O ATOM 266 NE2 GLN A 19 -9.545 0.490 -3.227 1.00 0.00 N ATOM 0 H GLN A 19 -8.080 5.773 -2.121 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.627 2.965 -2.232 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.812 4.113 -2.513 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.238 4.845 -3.999 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.481 3.078 -4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.884 2.359 -4.798 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.681 0.380 -3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.895 -0.281 -2.658 1.00 0.00 H new ATOM 275 N ASP A 20 -6.361 4.711 -4.760 1.00 0.00 N ATOM 276 CA ASP A 20 -5.430 4.640 -5.896 1.00 0.00 C ATOM 277 C ASP A 20 -4.070 4.167 -5.415 1.00 0.00 C ATOM 278 O ASP A 20 -3.476 3.278 -6.010 1.00 0.00 O ATOM 279 CB ASP A 20 -5.279 6.027 -6.545 1.00 0.00 C ATOM 280 CG ASP A 20 -6.487 6.472 -7.371 1.00 0.00 C ATOM 281 OD1 ASP A 20 -7.030 5.661 -8.153 1.00 0.00 O ATOM 282 OD2 ASP A 20 -7.014 7.585 -7.148 1.00 0.00 O ATOM 0 H ASP A 20 -6.719 5.650 -4.588 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.827 3.939 -6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.098 6.763 -5.762 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.398 6.021 -7.186 1.00 0.00 H new ATOM 287 N ALA A 21 -3.555 4.743 -4.339 1.00 0.00 N ATOM 288 CA ALA A 21 -2.321 4.270 -3.745 1.00 0.00 C ATOM 289 C ALA A 21 -2.455 2.818 -3.291 1.00 0.00 C ATOM 290 O ALA A 21 -1.707 1.975 -3.783 1.00 0.00 O ATOM 291 CB ALA A 21 -1.946 5.190 -2.608 1.00 0.00 C ATOM 0 H ALA A 21 -3.976 5.540 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.522 4.287 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.018 4.845 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.809 6.202 -2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.740 5.188 -1.861 1.00 0.00 H new ATOM 297 N TRP A 22 -3.408 2.523 -2.397 1.00 0.00 N ATOM 298 CA TRP A 22 -3.651 1.201 -1.823 1.00 0.00 C ATOM 299 C TRP A 22 -3.657 0.155 -2.934 1.00 0.00 C ATOM 300 O TRP A 22 -2.902 -0.810 -2.875 1.00 0.00 O ATOM 301 CB TRP A 22 -4.982 1.200 -1.047 1.00 0.00 C ATOM 302 CG TRP A 22 -5.477 -0.119 -0.512 1.00 0.00 C ATOM 303 CD1 TRP A 22 -6.243 -1.006 -1.189 1.00 0.00 C ATOM 304 CD2 TRP A 22 -5.301 -0.691 0.820 1.00 0.00 C ATOM 305 NE1 TRP A 22 -6.556 -2.076 -0.370 1.00 0.00 N ATOM 306 CE2 TRP A 22 -5.996 -1.936 0.888 1.00 0.00 C ATOM 307 CE3 TRP A 22 -4.623 -0.278 1.984 1.00 0.00 C ATOM 308 CZ2 TRP A 22 -5.987 -2.728 2.055 1.00 0.00 C ATOM 309 CZ3 TRP A 22 -4.637 -1.040 3.160 1.00 0.00 C ATOM 310 CH2 TRP A 22 -5.282 -2.281 3.181 1.00 0.00 C ATOM 0 H TRP A 22 -4.054 3.229 -2.043 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.854 0.953 -1.122 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -4.881 1.887 -0.207 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.753 1.608 -1.701 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.562 -0.895 -2.215 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.128 -2.870 -0.658 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.076 0.653 1.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.517 -3.668 2.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.150 -0.669 4.050 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -5.237 -2.896 4.067 1.00 0.00 H new ATOM 321 N ASP A 23 -4.467 0.333 -3.975 1.00 0.00 N ATOM 322 CA ASP A 23 -4.632 -0.650 -5.043 1.00 0.00 C ATOM 323 C ASP A 23 -3.282 -0.984 -5.677 1.00 0.00 C ATOM 324 O ASP A 23 -2.887 -2.148 -5.794 1.00 0.00 O ATOM 325 CB ASP A 23 -5.580 -0.125 -6.132 1.00 0.00 C ATOM 326 CG ASP A 23 -7.059 -0.124 -5.756 1.00 0.00 C ATOM 327 OD1 ASP A 23 -7.428 -0.551 -4.643 1.00 0.00 O ATOM 328 OD2 ASP A 23 -7.858 0.331 -6.606 1.00 0.00 O ATOM 0 H ASP A 23 -5.033 1.172 -4.102 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.060 -1.549 -4.600 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.285 0.893 -6.389 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.449 -0.731 -7.029 1.00 0.00 H new ATOM 333 N TYR A 24 -2.544 0.047 -6.074 1.00 0.00 N ATOM 334 CA TYR A 24 -1.241 -0.112 -6.688 1.00 0.00 C ATOM 335 C TYR A 24 -0.279 -0.810 -5.706 1.00 0.00 C ATOM 336 O TYR A 24 0.303 -1.841 -6.061 1.00 0.00 O ATOM 337 CB TYR A 24 -0.760 1.264 -7.159 1.00 0.00 C ATOM 338 CG TYR A 24 -1.352 1.766 -8.477 1.00 0.00 C ATOM 339 CD1 TYR A 24 -2.725 2.072 -8.628 1.00 0.00 C ATOM 340 CD2 TYR A 24 -0.491 1.975 -9.572 1.00 0.00 C ATOM 341 CE1 TYR A 24 -3.205 2.616 -9.831 1.00 0.00 C ATOM 342 CE2 TYR A 24 -0.974 2.499 -10.784 1.00 0.00 C ATOM 343 CZ TYR A 24 -2.334 2.849 -10.915 1.00 0.00 C ATOM 344 OH TYR A 24 -2.791 3.417 -12.066 1.00 0.00 O ATOM 0 H TYR A 24 -2.839 1.019 -5.976 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.286 -0.758 -7.565 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.987 1.992 -6.381 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.325 1.233 -7.259 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.409 1.886 -7.813 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.556 1.729 -9.479 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.253 2.858 -9.927 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.301 2.634 -11.618 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.052 3.503 -12.704 1.00 0.00 H new ATOM 354 N CYS A 25 -0.172 -0.309 -4.469 1.00 0.00 N ATOM 355 CA CYS A 25 0.696 -0.836 -3.411 1.00 0.00 C ATOM 356 C CYS A 25 0.433 -2.320 -3.125 1.00 0.00 C ATOM 357 O CYS A 25 1.359 -3.096 -2.882 1.00 0.00 O ATOM 358 CB CYS A 25 0.470 -0.072 -2.097 1.00 0.00 C ATOM 359 SG CYS A 25 0.834 1.699 -2.056 1.00 0.00 S ATOM 0 H CYS A 25 -0.708 0.505 -4.167 1.00 0.00 H new ATOM 0 HA CYS A 25 1.718 -0.712 -3.770 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.574 -0.203 -1.813 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.073 -0.552 -1.326 1.00 0.00 H new ATOM 0 HG CYS A 25 0.021 2.328 -2.852 1.00 0.00 H new ATOM 364 N THR A 26 -0.838 -2.714 -3.126 1.00 0.00 N ATOM 365 CA THR A 26 -1.323 -4.041 -2.766 1.00 0.00 C ATOM 366 C THR A 26 -1.311 -4.984 -3.980 1.00 0.00 C ATOM 367 O THR A 26 -1.702 -6.149 -3.872 1.00 0.00 O ATOM 368 CB THR A 26 -2.662 -3.902 -2.042 1.00 0.00 C ATOM 369 OG1 THR A 26 -3.676 -3.378 -2.869 1.00 0.00 O ATOM 370 CG2 THR A 26 -2.517 -3.026 -0.788 1.00 0.00 C ATOM 0 H THR A 26 -1.595 -2.083 -3.392 1.00 0.00 H new ATOM 0 HA THR A 26 -0.651 -4.528 -2.059 1.00 0.00 H new ATOM 0 HB THR A 26 -2.959 -4.910 -1.753 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.533 -2.417 -2.993 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.483 -2.942 -0.290 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.796 -3.480 -0.108 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.169 -2.034 -1.076 1.00 0.00 H new ATOM 378 N ASN A 27 -0.795 -4.518 -5.131 1.00 0.00 N ATOM 379 CA ASN A 27 -0.694 -5.253 -6.394 1.00 0.00 C ATOM 380 C ASN A 27 -2.100 -5.631 -6.914 1.00 0.00 C ATOM 381 O ASN A 27 -2.266 -6.554 -7.714 1.00 0.00 O ATOM 382 CB ASN A 27 0.281 -6.436 -6.182 1.00 0.00 C ATOM 383 CG ASN A 27 0.868 -7.159 -7.390 1.00 0.00 C ATOM 384 OD1 ASN A 27 2.078 -7.249 -7.557 1.00 0.00 O ATOM 385 ND2 ASN A 27 0.071 -7.827 -8.182 1.00 0.00 N ATOM 0 H ASN A 27 -0.420 -3.572 -5.204 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.274 -4.642 -7.193 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.116 -6.067 -5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.237 -7.180 -5.577 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.460 -8.410 -8.923 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.940 -7.765 -8.059 1.00 0.00 H new ATOM 392 N TYR A 28 -3.137 -4.913 -6.469 1.00 0.00 N ATOM 393 CA TYR A 28 -4.428 -4.846 -7.146 1.00 0.00 C ATOM 394 C TYR A 28 -4.191 -4.297 -8.559 1.00 0.00 C ATOM 395 O TYR A 28 -4.757 -4.792 -9.531 1.00 0.00 O ATOM 396 CB TYR A 28 -5.357 -3.930 -6.327 1.00 0.00 C ATOM 397 CG TYR A 28 -6.839 -3.988 -6.612 1.00 0.00 C ATOM 398 CD1 TYR A 28 -7.671 -4.895 -5.931 1.00 0.00 C ATOM 399 CD2 TYR A 28 -7.410 -3.043 -7.478 1.00 0.00 C ATOM 400 CE1 TYR A 28 -9.051 -4.925 -6.188 1.00 0.00 C ATOM 401 CE2 TYR A 28 -8.782 -3.061 -7.745 1.00 0.00 C ATOM 402 CZ TYR A 28 -9.610 -4.022 -7.125 1.00 0.00 C ATOM 403 OH TYR A 28 -10.939 -4.063 -7.414 1.00 0.00 O ATOM 0 H TYR A 28 -3.098 -4.356 -5.616 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.899 -5.826 -7.227 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.210 -4.162 -5.272 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.028 -2.901 -6.476 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.246 -5.573 -5.206 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.784 -2.295 -7.942 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.683 -5.633 -5.674 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.209 -2.339 -8.426 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.151 -3.372 -8.076 1.00 0.00 H new ATOM 413 N ILE A 29 -3.282 -3.323 -8.686 1.00 0.00 N ATOM 414 CA ILE A 29 -2.876 -2.731 -9.953 1.00 0.00 C ATOM 415 C ILE A 29 -1.384 -3.006 -10.118 1.00 0.00 C ATOM 416 O ILE A 29 -0.552 -2.530 -9.337 1.00 0.00 O ATOM 417 CB ILE A 29 -3.311 -1.253 -10.032 1.00 0.00 C ATOM 418 CG1 ILE A 29 -4.850 -1.137 -9.921 1.00 0.00 C ATOM 419 CG2 ILE A 29 -2.801 -0.594 -11.321 1.00 0.00 C ATOM 420 CD1 ILE A 29 -5.664 -1.679 -11.105 1.00 0.00 C ATOM 0 H ILE A 29 -2.799 -2.918 -7.884 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.379 -3.179 -10.810 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.865 -0.721 -9.192 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.168 -1.661 -9.020 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.104 -0.086 -9.785 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.123 0.447 -11.349 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.712 -0.638 -11.346 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.205 -1.122 -12.184 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.727 -1.541 -10.909 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.389 -1.141 -12.012 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.454 -2.741 -11.235 1.00 0.00 H new ATOM 432 N VAL A 30 -1.063 -3.870 -11.080 1.00 0.00 N ATOM 433 CA VAL A 30 0.291 -4.294 -11.399 1.00 0.00 C ATOM 434 C VAL A 30 1.125 -3.095 -11.839 1.00 0.00 C ATOM 435 O VAL A 30 0.796 -2.406 -12.808 1.00 0.00 O ATOM 436 CB VAL A 30 0.242 -5.461 -12.396 1.00 0.00 C ATOM 437 CG1 VAL A 30 1.556 -5.732 -13.135 1.00 0.00 C ATOM 438 CG2 VAL A 30 -0.103 -6.710 -11.587 1.00 0.00 C ATOM 0 H VAL A 30 -1.766 -4.306 -11.677 1.00 0.00 H new ATOM 0 HA VAL A 30 0.801 -4.684 -10.518 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.489 -5.203 -13.162 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.424 -6.573 -13.816 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.843 -4.847 -13.703 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.337 -5.969 -12.413 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.150 -7.572 -12.252 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.664 -6.877 -10.830 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.069 -6.573 -11.101 1.00 0.00 H new ATOM 448 N ASN A 31 2.168 -2.814 -11.060 1.00 0.00 N ATOM 449 CA ASN A 31 3.067 -1.677 -11.261 1.00 0.00 C ATOM 450 C ASN A 31 4.459 -1.855 -10.634 1.00 0.00 C ATOM 451 O ASN A 31 5.251 -0.919 -10.687 1.00 0.00 O ATOM 452 CB ASN A 31 2.417 -0.386 -10.728 1.00 0.00 C ATOM 453 CG ASN A 31 2.496 -0.240 -9.216 1.00 0.00 C ATOM 454 OD1 ASN A 31 3.258 0.581 -8.719 1.00 0.00 O ATOM 455 ND2 ASN A 31 1.672 -0.969 -8.476 1.00 0.00 N ATOM 0 H ASN A 31 2.418 -3.384 -10.252 1.00 0.00 H new ATOM 0 HA ASN A 31 3.225 -1.611 -12.337 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.902 0.473 -11.193 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.370 -0.365 -11.032 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.660 -0.855 -7.463 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.050 -1.644 -8.920 1.00 0.00 H new ATOM 462 N SER A 32 4.771 -3.007 -10.024 1.00 0.00 N ATOM 463 CA SER A 32 5.929 -3.173 -9.136 1.00 0.00 C ATOM 464 C SER A 32 5.949 -2.124 -8.006 1.00 0.00 C ATOM 465 O SER A 32 4.909 -1.536 -7.702 1.00 0.00 O ATOM 466 CB SER A 32 7.224 -3.243 -9.950 1.00 0.00 C ATOM 467 OG SER A 32 7.128 -4.284 -10.900 1.00 0.00 O ATOM 0 H SER A 32 4.220 -3.858 -10.135 1.00 0.00 H new ATOM 0 HA SER A 32 5.839 -4.129 -8.620 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.402 -2.292 -10.453 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.073 -3.417 -9.289 1.00 0.00 H new ATOM 0 HG SER A 32 7.956 -4.328 -11.422 1.00 0.00 H new ATOM 473 N SER A 33 7.057 -2.019 -7.258 1.00 0.00 N ATOM 474 CA SER A 33 7.272 -1.365 -5.969 1.00 0.00 C ATOM 475 C SER A 33 6.392 -1.900 -4.830 1.00 0.00 C ATOM 476 O SER A 33 6.671 -1.692 -3.648 1.00 0.00 O ATOM 477 CB SER A 33 7.120 0.134 -6.151 1.00 0.00 C ATOM 478 OG SER A 33 7.939 0.617 -7.198 1.00 0.00 O ATOM 0 H SER A 33 7.924 -2.443 -7.587 1.00 0.00 H new ATOM 0 HA SER A 33 8.286 -1.602 -5.647 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.078 0.371 -6.365 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.379 0.642 -5.222 1.00 0.00 H new ATOM 0 HG SER A 33 7.816 1.585 -7.290 1.00 0.00 H new ATOM 484 N CYS A 34 5.345 -2.620 -5.201 1.00 0.00 N ATOM 485 CA CYS A 34 4.350 -3.239 -4.365 1.00 0.00 C ATOM 486 C CYS A 34 5.035 -4.247 -3.443 1.00 0.00 C ATOM 487 O CYS A 34 6.114 -4.767 -3.749 1.00 0.00 O ATOM 488 CB CYS A 34 3.315 -3.905 -5.275 1.00 0.00 C ATOM 489 SG CYS A 34 4.031 -4.969 -6.558 1.00 0.00 S ATOM 0 H CYS A 34 5.161 -2.797 -6.189 1.00 0.00 H new ATOM 0 HA CYS A 34 3.841 -2.508 -3.736 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.637 -4.499 -4.662 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.716 -3.130 -5.753 1.00 0.00 H new ATOM 0 HG CYS A 34 3.157 -5.861 -6.920 1.00 0.00 H new ATOM 494 N GLY A 35 4.390 -4.530 -2.319 1.00 0.00 N ATOM 495 CA GLY A 35 4.980 -5.245 -1.210 1.00 0.00 C ATOM 496 C GLY A 35 5.022 -4.312 -0.014 1.00 0.00 C ATOM 497 O GLY A 35 4.337 -3.279 -0.010 1.00 0.00 O ATOM 0 H GLY A 35 3.420 -4.260 -2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.396 -6.135 -0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.985 -5.581 -1.466 1.00 0.00 H new ATOM 501 N GLU A 36 5.748 -4.683 1.038 1.00 0.00 N ATOM 502 CA GLU A 36 5.762 -3.918 2.282 1.00 0.00 C ATOM 503 C GLU A 36 6.259 -2.484 2.048 1.00 0.00 C ATOM 504 O GLU A 36 5.752 -1.558 2.670 1.00 0.00 O ATOM 505 CB GLU A 36 6.536 -4.671 3.361 1.00 0.00 C ATOM 506 CG GLU A 36 8.046 -4.768 3.129 1.00 0.00 C ATOM 507 CD GLU A 36 8.737 -5.623 4.191 1.00 0.00 C ATOM 508 OE1 GLU A 36 8.101 -6.492 4.825 1.00 0.00 O ATOM 509 OE2 GLU A 36 9.957 -5.413 4.393 1.00 0.00 O ATOM 0 H GLU A 36 6.338 -5.515 1.053 1.00 0.00 H new ATOM 0 HA GLU A 36 4.742 -3.815 2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.362 -4.182 4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.131 -5.680 3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.234 -5.193 2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.478 -3.767 3.132 1.00 0.00 H new ATOM 516 N ILE A 37 7.195 -2.307 1.112 1.00 0.00 N ATOM 517 CA ILE A 37 7.854 -1.057 0.737 1.00 0.00 C ATOM 518 C ILE A 37 6.860 0.034 0.346 1.00 0.00 C ATOM 519 O ILE A 37 6.819 1.065 1.007 1.00 0.00 O ATOM 520 CB ILE A 37 8.900 -1.339 -0.361 1.00 0.00 C ATOM 521 CG1 ILE A 37 10.021 -2.145 0.334 1.00 0.00 C ATOM 522 CG2 ILE A 37 9.396 -0.032 -1.016 1.00 0.00 C ATOM 523 CD1 ILE A 37 11.190 -2.481 -0.576 1.00 0.00 C ATOM 0 H ILE A 37 7.536 -3.092 0.557 1.00 0.00 H new ATOM 0 HA ILE A 37 8.374 -0.661 1.609 1.00 0.00 H new ATOM 0 HB ILE A 37 8.485 -1.911 -1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.389 -1.576 1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.600 -3.071 0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.132 -0.267 -1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.553 0.491 -1.468 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.854 0.604 -0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.935 -3.047 -0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.837 -3.078 -1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.638 -1.560 -0.948 1.00 0.00 H new ATOM 535 N CYS A 38 6.088 -0.141 -0.732 1.00 0.00 N ATOM 536 CA CYS A 38 5.233 0.937 -1.229 1.00 0.00 C ATOM 537 C CYS A 38 4.225 1.352 -0.157 1.00 0.00 C ATOM 538 O CYS A 38 3.894 2.524 -0.027 1.00 0.00 O ATOM 539 CB CYS A 38 4.531 0.506 -2.521 1.00 0.00 C ATOM 540 SG CYS A 38 3.863 1.871 -3.506 1.00 0.00 S ATOM 0 H CYS A 38 6.039 -1.007 -1.269 1.00 0.00 H new ATOM 0 HA CYS A 38 5.852 1.804 -1.459 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.237 -0.055 -3.133 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.718 -0.174 -2.268 1.00 0.00 H new ATOM 0 HG CYS A 38 2.611 2.052 -3.204 1.00 0.00 H new ATOM 545 N CYS A 39 3.775 0.392 0.652 1.00 0.00 N ATOM 546 CA CYS A 39 2.964 0.660 1.819 1.00 0.00 C ATOM 547 C CYS A 39 3.738 1.498 2.829 1.00 0.00 C ATOM 548 O CYS A 39 3.264 2.567 3.180 1.00 0.00 O ATOM 549 CB CYS A 39 2.477 -0.667 2.378 1.00 0.00 C ATOM 550 SG CYS A 39 1.567 -1.590 1.119 1.00 0.00 S ATOM 0 H CYS A 39 3.970 -0.599 0.506 1.00 0.00 H new ATOM 0 HA CYS A 39 2.089 1.255 1.557 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.326 -1.255 2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.836 -0.491 3.242 1.00 0.00 H new ATOM 0 HG CYS A 39 0.292 -1.386 1.268 1.00 0.00 H new ATOM 555 N ASN A 40 4.928 1.062 3.245 1.00 0.00 N ATOM 556 CA ASN A 40 5.813 1.778 4.163 1.00 0.00 C ATOM 557 C ASN A 40 6.077 3.211 3.703 1.00 0.00 C ATOM 558 O ASN A 40 6.312 4.082 4.543 1.00 0.00 O ATOM 559 CB ASN A 40 7.146 1.008 4.284 1.00 0.00 C ATOM 560 CG ASN A 40 7.215 0.088 5.491 1.00 0.00 C ATOM 561 OD1 ASN A 40 8.212 0.007 6.202 1.00 0.00 O ATOM 562 ND2 ASN A 40 6.174 -0.677 5.743 1.00 0.00 N ATOM 0 H ASN A 40 5.315 0.169 2.941 1.00 0.00 H new ATOM 0 HA ASN A 40 5.321 1.836 5.134 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.297 0.418 3.380 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.965 1.725 4.338 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.199 -1.332 6.525 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.342 -0.615 5.156 1.00 0.00 H new ATOM 569 N ASP A 41 6.053 3.461 2.393 1.00 0.00 N ATOM 570 CA ASP A 41 6.401 4.753 1.812 1.00 0.00 C ATOM 571 C ASP A 41 5.174 5.642 1.568 1.00 0.00 C ATOM 572 O ASP A 41 5.332 6.851 1.401 1.00 0.00 O ATOM 573 CB ASP A 41 7.278 4.539 0.560 1.00 0.00 C ATOM 574 CG ASP A 41 8.760 4.404 0.936 1.00 0.00 C ATOM 575 OD1 ASP A 41 9.096 3.769 1.962 1.00 0.00 O ATOM 576 OD2 ASP A 41 9.627 5.001 0.259 1.00 0.00 O ATOM 0 H ASP A 41 5.788 2.762 1.700 1.00 0.00 H new ATOM 0 HA ASP A 41 6.994 5.315 2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.951 3.643 0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.149 5.377 -0.125 1.00 0.00 H new ATOM 581 N CYS A 42 3.953 5.095 1.626 1.00 0.00 N ATOM 582 CA CYS A 42 2.694 5.829 1.444 1.00 0.00 C ATOM 583 C CYS A 42 1.838 5.886 2.716 1.00 0.00 C ATOM 584 O CYS A 42 0.939 6.720 2.827 1.00 0.00 O ATOM 585 CB CYS A 42 1.873 5.178 0.331 1.00 0.00 C ATOM 586 SG CYS A 42 2.679 5.168 -1.294 1.00 0.00 S ATOM 0 H CYS A 42 3.810 4.101 1.806 1.00 0.00 H new ATOM 0 HA CYS A 42 2.968 6.852 1.185 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.648 4.150 0.617 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.921 5.701 0.246 1.00 0.00 H new ATOM 0 HG CYS A 42 2.700 6.375 -1.775 1.00 0.00 H new ATOM 591 N PHE A 43 2.095 5.003 3.674 1.00 0.00 N ATOM 592 CA PHE A 43 1.287 4.761 4.849 1.00 0.00 C ATOM 593 C PHE A 43 2.224 4.656 6.048 1.00 0.00 C ATOM 594 O PHE A 43 3.376 4.229 5.912 1.00 0.00 O ATOM 595 CB PHE A 43 0.478 3.462 4.643 1.00 0.00 C ATOM 596 CG PHE A 43 -0.596 3.545 3.572 1.00 0.00 C ATOM 597 CD1 PHE A 43 -1.760 4.276 3.844 1.00 0.00 C ATOM 598 CD2 PHE A 43 -0.474 2.892 2.328 1.00 0.00 C ATOM 599 CE1 PHE A 43 -2.787 4.376 2.891 1.00 0.00 C ATOM 600 CE2 PHE A 43 -1.501 2.980 1.372 1.00 0.00 C ATOM 601 CZ PHE A 43 -2.660 3.723 1.653 1.00 0.00 C ATOM 0 H PHE A 43 2.922 4.406 3.644 1.00 0.00 H new ATOM 0 HA PHE A 43 0.579 5.571 5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.167 2.658 4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.009 3.189 5.588 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.869 4.769 4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.415 2.320 2.108 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.673 4.954 3.109 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.399 2.477 0.422 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.450 3.792 0.920 1.00 0.00 H new ATOM 611 N ASP A 44 1.710 4.978 7.236 1.00 0.00 N ATOM 612 CA ASP A 44 2.378 4.682 8.504 1.00 0.00 C ATOM 613 C ASP A 44 2.545 3.168 8.621 1.00 0.00 C ATOM 614 O ASP A 44 1.899 2.417 7.889 1.00 0.00 O ATOM 615 CB ASP A 44 1.513 5.104 9.700 1.00 0.00 C ATOM 616 CG ASP A 44 1.516 6.578 10.064 1.00 0.00 C ATOM 617 OD1 ASP A 44 2.608 7.104 10.350 1.00 0.00 O ATOM 618 OD2 ASP A 44 0.394 7.136 10.161 1.00 0.00 O ATOM 0 H ASP A 44 0.814 5.454 7.346 1.00 0.00 H new ATOM 0 HA ASP A 44 3.327 5.218 8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.484 4.807 9.496 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.841 4.539 10.572 1.00 0.00 H new ATOM 623 N GLU A 45 3.285 2.699 9.627 1.00 0.00 N ATOM 624 CA GLU A 45 3.308 1.303 10.046 1.00 0.00 C ATOM 625 C GLU A 45 1.892 0.747 10.250 1.00 0.00 C ATOM 626 O GLU A 45 1.594 -0.365 9.825 1.00 0.00 O ATOM 627 CB GLU A 45 4.032 1.187 11.376 1.00 0.00 C ATOM 628 CG GLU A 45 5.497 1.602 11.398 1.00 0.00 C ATOM 629 CD GLU A 45 5.976 1.536 12.844 1.00 0.00 C ATOM 630 OE1 GLU A 45 5.789 2.538 13.581 1.00 0.00 O ATOM 631 OE2 GLU A 45 6.475 0.473 13.282 1.00 0.00 O ATOM 0 H GLU A 45 3.898 3.295 10.183 1.00 0.00 H new ATOM 0 HA GLU A 45 3.811 0.738 9.261 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.497 1.791 12.108 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.967 0.151 11.709 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.091 0.940 10.768 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.615 2.611 11.002 1.00 0.00 H new ATOM 638 N THR A 46 1.013 1.504 10.908 1.00 0.00 N ATOM 639 CA THR A 46 -0.314 1.040 11.283 1.00 0.00 C ATOM 640 C THR A 46 -1.201 0.865 10.046 1.00 0.00 C ATOM 641 O THR A 46 -1.832 -0.186 9.901 1.00 0.00 O ATOM 642 CB THR A 46 -0.890 2.028 12.302 1.00 0.00 C ATOM 643 OG1 THR A 46 0.057 2.192 13.341 1.00 0.00 O ATOM 644 CG2 THR A 46 -2.213 1.558 12.899 1.00 0.00 C ATOM 0 H THR A 46 1.208 2.463 11.196 1.00 0.00 H new ATOM 0 HA THR A 46 -0.264 0.055 11.747 1.00 0.00 H new ATOM 0 HB THR A 46 -1.090 2.967 11.786 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.292 2.823 14.005 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.573 2.298 13.614 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.948 1.435 12.103 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.065 0.605 13.407 1.00 0.00 H new ATOM 652 N GLY A 47 -1.210 1.844 9.134 1.00 0.00 N ATOM 653 CA GLY A 47 -1.854 1.711 7.832 1.00 0.00 C ATOM 654 C GLY A 47 -1.248 0.523 7.090 1.00 0.00 C ATOM 655 O GLY A 47 -1.943 -0.407 6.673 1.00 0.00 O ATOM 0 H GLY A 47 -0.768 2.751 9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.927 1.568 7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.720 2.624 7.252 1.00 0.00 H new ATOM 659 N THR A 48 0.083 0.521 7.011 1.00 0.00 N ATOM 660 CA THR A 48 0.874 -0.534 6.425 1.00 0.00 C ATOM 661 C THR A 48 0.440 -1.896 6.931 1.00 0.00 C ATOM 662 O THR A 48 0.293 -2.758 6.086 1.00 0.00 O ATOM 663 CB THR A 48 2.377 -0.274 6.648 1.00 0.00 C ATOM 664 OG1 THR A 48 2.832 0.706 5.745 1.00 0.00 O ATOM 665 CG2 THR A 48 3.280 -1.499 6.535 1.00 0.00 C ATOM 0 H THR A 48 0.651 1.288 7.370 1.00 0.00 H new ATOM 0 HA THR A 48 0.703 -0.536 5.349 1.00 0.00 H new ATOM 0 HB THR A 48 2.449 0.058 7.684 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.671 1.597 6.120 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.315 -1.205 6.709 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.983 -2.240 7.278 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.188 -1.928 5.537 1.00 0.00 H new ATOM 673 N GLY A 49 0.230 -2.154 8.222 1.00 0.00 N ATOM 674 CA GLY A 49 0.022 -3.521 8.689 1.00 0.00 C ATOM 675 C GLY A 49 -1.144 -4.201 7.964 1.00 0.00 C ATOM 676 O GLY A 49 -1.047 -5.370 7.583 1.00 0.00 O ATOM 0 H GLY A 49 0.200 -1.443 8.953 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.933 -4.100 8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.173 -3.513 9.761 1.00 0.00 H new ATOM 680 N ALA A 50 -2.204 -3.436 7.683 1.00 0.00 N ATOM 681 CA ALA A 50 -3.327 -3.851 6.859 1.00 0.00 C ATOM 682 C ALA A 50 -2.948 -4.006 5.389 1.00 0.00 C ATOM 683 O ALA A 50 -3.331 -4.985 4.743 1.00 0.00 O ATOM 684 CB ALA A 50 -4.414 -2.783 6.950 1.00 0.00 C ATOM 0 H ALA A 50 -2.300 -2.484 8.037 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.666 -4.819 7.228 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.266 -3.078 6.337 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.733 -2.676 7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.021 -1.832 6.591 1.00 0.00 H new ATOM 690 N CYS A 51 -2.260 -3.004 4.848 1.00 0.00 N ATOM 691 CA CYS A 51 -1.855 -2.903 3.463 1.00 0.00 C ATOM 692 C CYS A 51 -0.861 -4.035 3.140 1.00 0.00 C ATOM 693 O CYS A 51 -0.832 -4.548 2.024 1.00 0.00 O ATOM 694 CB CYS A 51 -1.296 -1.492 3.254 1.00 0.00 C ATOM 695 SG CYS A 51 -1.495 -0.800 1.594 1.00 0.00 S ATOM 0 H CYS A 51 -1.958 -2.201 5.400 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.684 -3.035 2.768 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.778 -0.822 3.966 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.233 -1.504 3.497 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.761 -0.668 1.328 1.00 0.00 H new ATOM 700 N ARG A 52 -0.101 -4.504 4.140 1.00 0.00 N ATOM 701 CA ARG A 52 0.778 -5.650 4.066 1.00 0.00 C ATOM 702 C ARG A 52 -0.028 -6.893 3.868 1.00 0.00 C ATOM 703 O ARG A 52 0.278 -7.578 2.913 1.00 0.00 O ATOM 704 CB ARG A 52 1.766 -5.808 5.224 1.00 0.00 C ATOM 705 CG ARG A 52 2.855 -4.730 5.203 1.00 0.00 C ATOM 706 CD ARG A 52 3.906 -4.830 6.321 1.00 0.00 C ATOM 707 NE ARG A 52 4.928 -5.867 6.088 1.00 0.00 N ATOM 708 CZ ARG A 52 5.573 -6.561 7.038 1.00 0.00 C ATOM 709 NH1 ARG A 52 5.371 -6.326 8.330 1.00 0.00 N ATOM 710 NH2 ARG A 52 6.438 -7.503 6.706 1.00 0.00 N ATOM 0 H ARG A 52 -0.092 -4.064 5.060 1.00 0.00 H new ATOM 0 HA ARG A 52 1.419 -5.468 3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.226 -5.759 6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.230 -6.793 5.172 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.367 -4.774 4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.376 -3.753 5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.400 -3.864 6.429 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.401 -5.037 7.264 1.00 0.00 H new ATOM 0 HE ARG A 52 5.166 -6.075 5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.712 -5.603 8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.875 -6.868 9.032 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.619 -7.706 5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.925 -8.027 7.433 1.00 0.00 H new ATOM 724 N ALA A 53 -1.067 -7.170 4.661 1.00 0.00 N ATOM 725 CA ALA A 53 -1.927 -8.323 4.368 1.00 0.00 C ATOM 726 C ALA A 53 -2.357 -8.299 2.897 1.00 0.00 C ATOM 727 O ALA A 53 -2.222 -9.298 2.186 1.00 0.00 O ATOM 728 CB ALA A 53 -3.161 -8.363 5.267 1.00 0.00 C ATOM 0 H ALA A 53 -1.329 -6.631 5.487 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.344 -9.222 4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.767 -9.233 5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.850 -8.429 6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.748 -7.456 5.120 1.00 0.00 H new ATOM 734 N GLN A 54 -2.797 -7.132 2.421 1.00 0.00 N ATOM 735 CA GLN A 54 -3.218 -6.953 1.039 1.00 0.00 C ATOM 736 C GLN A 54 -2.077 -7.017 0.004 1.00 0.00 C ATOM 737 O GLN A 54 -2.360 -7.119 -1.185 1.00 0.00 O ATOM 738 CB GLN A 54 -3.999 -5.639 0.922 1.00 0.00 C ATOM 739 CG GLN A 54 -5.023 -5.657 -0.225 1.00 0.00 C ATOM 740 CD GLN A 54 -6.236 -6.539 0.098 1.00 0.00 C ATOM 741 OE1 GLN A 54 -6.298 -7.185 1.143 1.00 0.00 O ATOM 742 NE2 GLN A 54 -7.231 -6.604 -0.768 1.00 0.00 N ATOM 0 H GLN A 54 -2.870 -6.287 2.987 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.855 -7.802 0.792 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.516 -5.443 1.862 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.299 -4.818 0.766 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.358 -4.640 -0.427 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.543 -6.020 -1.133 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.187 -6.071 -1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.044 -7.187 -0.568 1.00 0.00 H new ATOM 751 N ALA A 55 -0.803 -7.016 0.393 1.00 0.00 N ATOM 752 CA ALA A 55 0.321 -7.289 -0.499 1.00 0.00 C ATOM 753 C ALA A 55 1.050 -8.591 -0.106 1.00 0.00 C ATOM 754 O ALA A 55 2.116 -8.877 -0.633 1.00 0.00 O ATOM 755 CB ALA A 55 1.298 -6.112 -0.488 1.00 0.00 C ATOM 0 H ALA A 55 -0.519 -6.822 1.353 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.074 -7.419 -1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.132 -6.325 -1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.786 -5.211 -0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.673 -5.960 0.524 1.00 0.00 H new ATOM 761 N PHE A 56 0.525 -9.364 0.843 1.00 0.00 N ATOM 762 CA PHE A 56 1.184 -10.531 1.418 1.00 0.00 C ATOM 763 C PHE A 56 0.402 -11.777 1.016 1.00 0.00 C ATOM 764 O PHE A 56 0.949 -12.760 0.527 1.00 0.00 O ATOM 765 CB PHE A 56 1.199 -10.425 2.950 1.00 0.00 C ATOM 766 CG PHE A 56 1.912 -11.578 3.622 1.00 0.00 C ATOM 767 CD1 PHE A 56 3.186 -11.994 3.184 1.00 0.00 C ATOM 768 CD2 PHE A 56 1.288 -12.255 4.684 1.00 0.00 C ATOM 769 CE1 PHE A 56 3.852 -13.041 3.834 1.00 0.00 C ATOM 770 CE2 PHE A 56 1.959 -13.300 5.333 1.00 0.00 C ATOM 771 CZ PHE A 56 3.242 -13.687 4.917 1.00 0.00 C ATOM 0 H PHE A 56 -0.397 -9.189 1.243 1.00 0.00 H new ATOM 0 HA PHE A 56 2.210 -10.587 1.053 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.681 -9.491 3.238 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.173 -10.379 3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.651 -11.502 2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.295 -11.971 4.999 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.832 -13.349 3.501 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.486 -13.811 6.159 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.759 -14.483 5.432 1.00 0.00 H new ATOM 781 N GLY A 57 -0.907 -11.714 1.262 1.00 0.00 N ATOM 782 CA GLY A 57 -1.850 -12.813 1.121 1.00 0.00 C ATOM 783 C GLY A 57 -3.045 -12.451 0.258 1.00 0.00 C ATOM 784 O GLY A 57 -4.163 -12.883 0.541 1.00 0.00 O ATOM 0 H GLY A 57 -1.355 -10.854 1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.339 -13.672 0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.198 -13.117 2.108 1.00 0.00 H new ATOM 788 N ASN A 58 -2.835 -11.656 -0.791 1.00 0.00 N ATOM 789 CA ASN A 58 -3.886 -11.161 -1.674 1.00 0.00 C ATOM 790 C ASN A 58 -3.449 -11.381 -3.122 1.00 0.00 C ATOM 791 O ASN A 58 -3.816 -12.400 -3.704 1.00 0.00 O ATOM 792 CB ASN A 58 -4.168 -9.698 -1.331 1.00 0.00 C ATOM 793 CG ASN A 58 -4.979 -9.006 -2.422 1.00 0.00 C ATOM 794 OD1 ASN A 58 -6.023 -9.499 -2.828 1.00 0.00 O ATOM 795 ND2 ASN A 58 -4.501 -7.893 -2.949 1.00 0.00 N ATOM 0 H ASN A 58 -1.905 -11.331 -1.055 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.823 -11.701 -1.540 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.709 -9.644 -0.386 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.225 -9.170 -1.189 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.004 -7.431 -3.707 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.629 -7.496 -2.598 1.00 0.00 H new ATOM 802 N SER A 59 -2.641 -10.474 -3.679 1.00 0.00 N ATOM 803 CA SER A 59 -2.162 -10.527 -5.054 1.00 0.00 C ATOM 804 C SER A 59 -0.649 -10.689 -5.093 1.00 0.00 C ATOM 805 O SER A 59 -0.161 -11.729 -5.529 1.00 0.00 O ATOM 806 CB SER A 59 -2.599 -9.256 -5.777 1.00 0.00 C ATOM 807 OG SER A 59 -3.995 -9.257 -5.974 1.00 0.00 O ATOM 0 H SER A 59 -2.295 -9.662 -3.167 1.00 0.00 H new ATOM 0 HA SER A 59 -2.592 -11.392 -5.558 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.308 -8.381 -5.195 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.090 -9.184 -6.738 1.00 0.00 H new ATOM 0 HG SER A 59 -4.261 -8.435 -6.437 1.00 0.00 H new ATOM 813 N CYS A 60 0.080 -9.685 -4.598 1.00 0.00 N ATOM 814 CA CYS A 60 1.533 -9.590 -4.689 1.00 0.00 C ATOM 815 C CYS A 60 2.166 -10.885 -4.171 1.00 0.00 C ATOM 816 O CYS A 60 1.778 -11.378 -3.107 1.00 0.00 O ATOM 817 CB CYS A 60 1.972 -8.358 -3.901 1.00 0.00 C ATOM 818 SG CYS A 60 3.499 -7.562 -4.420 1.00 0.00 S ATOM 0 H CYS A 60 -0.340 -8.895 -4.109 1.00 0.00 H new ATOM 0 HA CYS A 60 1.865 -9.473 -5.721 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.171 -7.620 -3.951 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.077 -8.644 -2.855 1.00 0.00 H new ATOM 0 HG CYS A 60 3.221 -6.528 -5.157 1.00 0.00 H new ATOM 823 N LEU A 61 3.033 -11.498 -4.979 1.00 0.00 N ATOM 824 CA LEU A 61 3.484 -12.871 -4.758 1.00 0.00 C ATOM 825 C LEU A 61 4.351 -12.963 -3.511 1.00 0.00 C ATOM 826 O LEU A 61 4.280 -13.943 -2.772 1.00 0.00 O ATOM 827 CB LEU A 61 4.265 -13.403 -5.980 1.00 0.00 C ATOM 828 CG LEU A 61 3.591 -14.602 -6.670 1.00 0.00 C ATOM 829 CD1 LEU A 61 3.374 -15.787 -5.719 1.00 0.00 C ATOM 830 CD2 LEU A 61 2.269 -14.188 -7.323 1.00 0.00 C ATOM 0 H LEU A 61 3.441 -11.057 -5.803 1.00 0.00 H new ATOM 0 HA LEU A 61 2.597 -13.489 -4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.382 -12.597 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.266 -13.694 -5.662 1.00 0.00 H new ATOM 0 HG LEU A 61 4.277 -14.938 -7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.895 -16.604 -6.259 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.336 -16.123 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.737 -15.477 -4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.814 -15.054 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.593 -13.798 -6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.458 -13.417 -8.070 1.00 0.00 H new ATOM 842 N ASN A 62 5.162 -11.936 -3.286 1.00 0.00 N ATOM 843 CA ASN A 62 5.879 -11.661 -2.059 1.00 0.00 C ATOM 844 C ASN A 62 5.689 -10.188 -1.735 1.00 0.00 C ATOM 845 O ASN A 62 5.747 -9.336 -2.626 1.00 0.00 O ATOM 846 CB ASN A 62 7.362 -12.072 -2.136 1.00 0.00 C ATOM 847 CG ASN A 62 8.096 -11.717 -3.429 1.00 0.00 C ATOM 848 OD1 ASN A 62 8.123 -10.576 -3.876 1.00 0.00 O ATOM 849 ND2 ASN A 62 8.745 -12.684 -4.056 1.00 0.00 N ATOM 0 H ASN A 62 5.344 -11.234 -4.003 1.00 0.00 H new ATOM 0 HA ASN A 62 5.474 -12.267 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.890 -11.606 -1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.426 -13.150 -1.991 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.266 -12.479 -4.909 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.725 -13.635 -3.687 1.00 0.00 H new ATOM 856 N TRP A 63 5.404 -9.921 -0.459 1.00 0.00 N ATOM 857 CA TRP A 63 5.516 -8.596 0.122 1.00 0.00 C ATOM 858 C TRP A 63 6.987 -8.194 0.187 1.00 0.00 C ATOM 859 O TRP A 63 7.253 -6.983 0.301 1.00 0.00 O ATOM 860 CB TRP A 63 4.852 -8.556 1.510 1.00 0.00 C ATOM 861 CG TRP A 63 5.364 -9.446 2.616 1.00 0.00 C ATOM 862 CD1 TRP A 63 6.314 -10.402 2.552 1.00 0.00 C ATOM 863 CD2 TRP A 63 4.898 -9.489 3.992 1.00 0.00 C ATOM 864 NE1 TRP A 63 6.511 -10.972 3.795 1.00 0.00 N ATOM 865 CE2 TRP A 63 5.657 -10.436 4.735 1.00 0.00 C ATOM 866 CE3 TRP A 63 3.848 -8.846 4.655 1.00 0.00 C ATOM 867 CZ2 TRP A 63 5.419 -10.684 6.098 1.00 0.00 C ATOM 868 CZ3 TRP A 63 3.598 -9.063 6.024 1.00 0.00 C ATOM 869 CH2 TRP A 63 4.388 -9.979 6.747 1.00 0.00 C ATOM 0 H TRP A 63 5.086 -10.631 0.201 1.00 0.00 H new ATOM 0 HA TRP A 63 4.991 -7.876 -0.506 1.00 0.00 H new ATOM 0 HB2 TRP A 63 4.910 -7.528 1.868 1.00 0.00 H new ATOM 0 HB3 TRP A 63 3.796 -8.786 1.371 1.00 0.00 H new ATOM 0 HD1 TRP A 63 6.846 -10.682 1.655 1.00 0.00 H new ATOM 0 HE1 TRP A 63 7.201 -11.697 3.992 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.214 -8.167 4.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 6.017 -11.403 6.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.801 -8.528 6.519 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.202 -10.140 7.799 1.00 0.00 H new