USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=19 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 74 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 GLN : amide:sc= 0.112 X(o=0.11,f=0) USER MOD Single : A 1 GLU N :NH3+ -168:sc=-0.00793 (180deg=-0.185) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 119:sc= 0.0498 USER MOD Single : A 8 ASN : amide:sc=-0.00314 X(o=-0.0031,f=-0.5) USER MOD Single : A 9 ASN : amide:sc= -0.0113 K(o=-0.011,f=-0.95) USER MOD Single : A 12 SER OG : rot 72:sc= 0.226 USER MOD Single : A 13 TYR OH : rot -174:sc= 0.89 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 16 LYS NZ :NH3+ -138:sc= 1.19 (180deg=0.939) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 70:sc= 1.01 USER MOD Single : A 36 HIS : no HD1:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 30:sc= -0.906 USER MOD Single : A 39 GLN : amide:sc= -1.74! C(o=-1.7!,f=-6.8!) USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= -0.0145 (180deg=-0.19) USER MOD Single : A 42 GLN : amide:sc= -0.0623 X(o=-0.062,f=-0.5) USER MOD Single : A 44 HIS : no HE2:sc= 0.718 K(o=0.72,f=-5.3!) USER MOD Single : A 45 THR OG1 : rot 83:sc= 0.515 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -162:sc= -2.09 (180deg=-3.86!) USER MOD Single : A 54 SER OG : rot 85:sc= 1.02 USER MOD Single : A 60 THR OG1 : rot 73:sc= 1.21 USER MOD Single : A 64 ASN : amide:sc= 0.269 X(o=0.27,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0193 K(o=-0.019,f=-0.56) USER MOD Single : A 84 LYS NZ :NH3+ 159:sc= 0.262! (180deg=-0.573!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 19.549 -15.186 6.351 1.00 3.15 N ATOM 2 CA GLU A 1 18.494 -15.847 5.609 1.00 10.00 C ATOM 3 C GLU A 1 18.080 -15.007 4.405 1.00 1.51 C ATOM 4 O GLU A 1 17.304 -14.037 4.554 1.00 42.32 O ATOM 5 CB GLU A 1 17.288 -16.101 6.514 1.00 64.33 C ATOM 6 CG GLU A 1 17.571 -17.032 7.678 1.00 23.13 C ATOM 7 CD GLU A 1 17.975 -18.407 7.219 1.00 61.31 C ATOM 8 OE1 GLU A 1 17.087 -19.224 6.899 1.00 33.43 O ATOM 9 OE2 GLU A 1 19.181 -18.706 7.161 1.00 74.34 O ATOM 0 H1 GLU A 1 19.958 -15.850 7.039 1.00 3.15 H new ATOM 0 H2 GLU A 1 20.290 -14.869 5.693 1.00 3.15 H new ATOM 0 H3 GLU A 1 19.157 -14.364 6.854 1.00 3.15 H new ATOM 0 HA GLU A 1 18.872 -16.804 5.251 1.00 10.00 H new ATOM 0 HB2 GLU A 1 16.933 -15.147 6.904 1.00 64.33 H new ATOM 0 HB3 GLU A 1 16.480 -16.521 5.915 1.00 64.33 H new ATOM 0 HG2 GLU A 1 18.364 -16.609 8.295 1.00 23.13 H new ATOM 0 HG3 GLU A 1 16.683 -17.106 8.306 1.00 23.13 H new ATOM 16 N SER A 2 18.658 -15.335 3.243 1.00 2.24 N ATOM 17 CA SER A 2 18.358 -14.674 1.969 1.00 63.01 C ATOM 18 C SER A 2 18.567 -13.147 2.080 1.00 10.43 C ATOM 19 O SER A 2 19.363 -12.669 2.909 1.00 35.34 O ATOM 20 CB SER A 2 16.903 -14.999 1.573 1.00 54.41 C ATOM 21 OG SER A 2 16.693 -16.405 1.512 1.00 62.45 O ATOM 0 H SER A 2 19.355 -16.075 3.161 1.00 2.24 H new ATOM 0 HA SER A 2 19.037 -15.042 1.199 1.00 63.01 H new ATOM 0 HB2 SER A 2 16.218 -14.556 2.296 1.00 54.41 H new ATOM 0 HB3 SER A 2 16.677 -14.552 0.605 1.00 54.41 H new ATOM 0 HG SER A 2 15.763 -16.586 1.261 1.00 62.45 H new ATOM 27 N ASP A 3 17.910 -12.407 1.233 1.00 11.02 N ATOM 28 CA ASP A 3 17.912 -10.975 1.320 1.00 25.01 C ATOM 29 C ASP A 3 16.535 -10.525 0.999 1.00 13.31 C ATOM 30 O ASP A 3 15.898 -11.080 0.094 1.00 31.30 O ATOM 31 CB ASP A 3 18.884 -10.347 0.340 1.00 12.55 C ATOM 32 CG ASP A 3 19.094 -8.875 0.605 1.00 22.12 C ATOM 33 OD1 ASP A 3 20.005 -8.541 1.394 1.00 52.44 O ATOM 34 OD2 ASP A 3 18.385 -8.038 0.043 1.00 75.31 O ATOM 0 H ASP A 3 17.357 -12.780 0.462 1.00 11.02 H new ATOM 0 HA ASP A 3 18.224 -10.671 2.319 1.00 25.01 H new ATOM 0 HB2 ASP A 3 19.841 -10.865 0.399 1.00 12.55 H new ATOM 0 HB3 ASP A 3 18.511 -10.482 -0.675 1.00 12.55 H new ATOM 39 N SER A 4 16.059 -9.572 1.703 1.00 62.30 N ATOM 40 CA SER A 4 14.736 -9.105 1.481 1.00 74.13 C ATOM 41 C SER A 4 14.716 -7.951 0.473 1.00 34.24 C ATOM 42 O SER A 4 14.589 -6.781 0.817 1.00 24.23 O ATOM 43 CB SER A 4 13.998 -8.841 2.808 1.00 55.20 C ATOM 44 OG SER A 4 14.766 -8.037 3.705 1.00 20.33 O ATOM 0 H SER A 4 16.566 -9.092 2.446 1.00 62.30 H new ATOM 0 HA SER A 4 14.154 -9.894 1.005 1.00 74.13 H new ATOM 0 HB2 SER A 4 13.049 -8.346 2.601 1.00 55.20 H new ATOM 0 HB3 SER A 4 13.763 -9.792 3.286 1.00 55.20 H new ATOM 0 HG SER A 4 14.283 -7.205 3.894 1.00 20.33 H new ATOM 50 N VAL A 5 14.897 -8.325 -0.790 1.00 75.22 N ATOM 51 CA VAL A 5 14.990 -7.409 -1.909 1.00 0.42 C ATOM 52 C VAL A 5 13.687 -6.662 -2.123 1.00 1.25 C ATOM 53 O VAL A 5 13.680 -5.439 -2.296 1.00 54.43 O ATOM 54 CB VAL A 5 15.356 -8.178 -3.195 1.00 41.02 C ATOM 55 CG1 VAL A 5 15.491 -7.246 -4.373 1.00 0.11 C ATOM 56 CG2 VAL A 5 16.630 -8.967 -2.994 1.00 23.34 C ATOM 0 H VAL A 5 14.985 -9.303 -1.065 1.00 75.22 H new ATOM 0 HA VAL A 5 15.770 -6.683 -1.679 1.00 0.42 H new ATOM 0 HB VAL A 5 14.544 -8.873 -3.412 1.00 41.02 H new ATOM 0 HG11 VAL A 5 15.749 -7.820 -5.263 1.00 0.11 H new ATOM 0 HG12 VAL A 5 14.546 -6.728 -4.537 1.00 0.11 H new ATOM 0 HG13 VAL A 5 16.275 -6.516 -4.171 1.00 0.11 H new ATOM 0 HG21 VAL A 5 16.874 -9.504 -3.911 1.00 23.34 H new ATOM 0 HG22 VAL A 5 17.444 -8.286 -2.744 1.00 23.34 H new ATOM 0 HG23 VAL A 5 16.492 -9.681 -2.182 1.00 23.34 H new ATOM 66 N GLU A 6 12.589 -7.385 -2.063 1.00 34.13 N ATOM 67 CA GLU A 6 11.279 -6.790 -2.268 1.00 53.33 C ATOM 68 C GLU A 6 10.972 -5.858 -1.124 1.00 63.44 C ATOM 69 O GLU A 6 10.343 -4.823 -1.304 1.00 74.43 O ATOM 70 CB GLU A 6 10.205 -7.861 -2.397 1.00 22.03 C ATOM 71 CG GLU A 6 10.444 -8.805 -3.554 1.00 1.33 C ATOM 72 CD GLU A 6 10.431 -8.096 -4.888 1.00 52.14 C ATOM 73 OE1 GLU A 6 9.339 -7.939 -5.476 1.00 12.33 O ATOM 74 OE2 GLU A 6 11.510 -7.698 -5.383 1.00 53.20 O ATOM 0 H GLU A 6 12.574 -8.387 -1.874 1.00 34.13 H new ATOM 0 HA GLU A 6 11.288 -6.225 -3.200 1.00 53.33 H new ATOM 0 HB2 GLU A 6 10.160 -8.435 -1.471 1.00 22.03 H new ATOM 0 HB3 GLU A 6 9.235 -7.381 -2.522 1.00 22.03 H new ATOM 0 HG2 GLU A 6 11.404 -9.304 -3.420 1.00 1.33 H new ATOM 0 HG3 GLU A 6 9.678 -9.581 -3.550 1.00 1.33 H new ATOM 81 N PHE A 7 11.480 -6.213 0.037 1.00 31.14 N ATOM 82 CA PHE A 7 11.353 -5.424 1.216 1.00 15.20 C ATOM 83 C PHE A 7 12.145 -4.164 1.031 1.00 30.14 C ATOM 84 O PHE A 7 11.637 -3.126 1.255 1.00 52.10 O ATOM 85 CB PHE A 7 11.850 -6.222 2.396 1.00 12.33 C ATOM 86 CG PHE A 7 11.731 -5.575 3.732 1.00 12.34 C ATOM 87 CD1 PHE A 7 10.516 -5.520 4.370 1.00 75.43 C ATOM 88 CD2 PHE A 7 12.843 -5.053 4.358 1.00 75.52 C ATOM 89 CE1 PHE A 7 10.398 -4.947 5.621 1.00 71.14 C ATOM 90 CE2 PHE A 7 12.745 -4.482 5.613 1.00 71.54 C ATOM 91 CZ PHE A 7 11.515 -4.428 6.246 1.00 13.11 C ATOM 0 H PHE A 7 12.001 -7.078 0.177 1.00 31.14 H new ATOM 0 HA PHE A 7 10.313 -5.157 1.402 1.00 15.20 H new ATOM 0 HB2 PHE A 7 11.305 -7.166 2.424 1.00 12.33 H new ATOM 0 HB3 PHE A 7 12.899 -6.465 2.226 1.00 12.33 H new ATOM 0 HD1 PHE A 7 9.641 -5.930 3.887 1.00 75.43 H new ATOM 0 HD2 PHE A 7 13.802 -5.091 3.862 1.00 75.52 H new ATOM 0 HE1 PHE A 7 9.435 -4.905 6.109 1.00 71.14 H new ATOM 0 HE2 PHE A 7 13.623 -4.080 6.097 1.00 71.54 H new ATOM 0 HZ PHE A 7 11.429 -3.981 7.226 1.00 13.11 H new ATOM 101 N ASN A 8 13.375 -4.279 0.553 1.00 72.53 N ATOM 102 CA ASN A 8 14.240 -3.110 0.277 1.00 23.43 C ATOM 103 C ASN A 8 13.554 -2.159 -0.706 1.00 14.34 C ATOM 104 O ASN A 8 13.583 -0.937 -0.527 1.00 65.24 O ATOM 105 CB ASN A 8 15.602 -3.546 -0.298 1.00 64.45 C ATOM 106 CG ASN A 8 16.467 -4.329 0.675 1.00 65.23 C ATOM 107 OD1 ASN A 8 16.420 -4.118 1.889 1.00 21.04 O ATOM 108 ND2 ASN A 8 17.256 -5.237 0.154 1.00 62.12 N ATOM 0 H ASN A 8 13.813 -5.176 0.342 1.00 72.53 H new ATOM 0 HA ASN A 8 14.410 -2.595 1.223 1.00 23.43 H new ATOM 0 HB2 ASN A 8 15.431 -4.155 -1.186 1.00 64.45 H new ATOM 0 HB3 ASN A 8 16.148 -2.660 -0.620 1.00 64.45 H new ATOM 0 HD21 ASN A 8 17.858 -5.797 0.758 1.00 62.12 H new ATOM 0 HD22 ASN A 8 17.268 -5.384 -0.855 1.00 62.12 H new ATOM 115 N ASN A 9 12.917 -2.730 -1.725 1.00 25.45 N ATOM 116 CA ASN A 9 12.145 -1.945 -2.703 1.00 50.45 C ATOM 117 C ASN A 9 10.973 -1.276 -2.021 1.00 61.01 C ATOM 118 O ASN A 9 10.679 -0.101 -2.262 1.00 74.14 O ATOM 119 CB ASN A 9 11.653 -2.810 -3.881 1.00 33.41 C ATOM 120 CG ASN A 9 12.785 -3.317 -4.752 1.00 35.12 C ATOM 121 OD1 ASN A 9 13.838 -2.676 -4.864 1.00 21.44 O ATOM 122 ND2 ASN A 9 12.594 -4.460 -5.376 1.00 34.53 N ATOM 0 H ASN A 9 12.916 -3.735 -1.901 1.00 25.45 H new ATOM 0 HA ASN A 9 12.810 -1.185 -3.113 1.00 50.45 H new ATOM 0 HB2 ASN A 9 11.092 -3.660 -3.492 1.00 33.41 H new ATOM 0 HB3 ASN A 9 10.965 -2.226 -4.492 1.00 33.41 H new ATOM 0 HD21 ASN A 9 13.326 -4.843 -5.974 1.00 34.53 H new ATOM 0 HD22 ASN A 9 11.714 -4.963 -5.262 1.00 34.53 H new ATOM 129 N ALA A 10 10.329 -2.018 -1.145 1.00 40.11 N ATOM 130 CA ALA A 10 9.234 -1.517 -0.349 1.00 53.40 C ATOM 131 C ALA A 10 9.726 -0.420 0.586 1.00 42.42 C ATOM 132 O ALA A 10 9.033 0.554 0.812 1.00 72.03 O ATOM 133 CB ALA A 10 8.602 -2.647 0.451 1.00 44.45 C ATOM 0 H ALA A 10 10.555 -2.996 -0.965 1.00 40.11 H new ATOM 0 HA ALA A 10 8.479 -1.099 -1.015 1.00 53.40 H new ATOM 0 HB1 ALA A 10 7.778 -2.254 1.047 1.00 44.45 H new ATOM 0 HB2 ALA A 10 8.226 -3.410 -0.231 1.00 44.45 H new ATOM 0 HB3 ALA A 10 9.349 -3.087 1.111 1.00 44.45 H new ATOM 139 N ILE A 11 10.942 -0.574 1.103 1.00 1.14 N ATOM 140 CA ILE A 11 11.525 0.412 1.989 1.00 71.31 C ATOM 141 C ILE A 11 11.727 1.700 1.256 1.00 22.52 C ATOM 142 O ILE A 11 11.357 2.729 1.743 1.00 34.21 O ATOM 143 CB ILE A 11 12.883 -0.006 2.606 1.00 14.23 C ATOM 144 CG1 ILE A 11 12.792 -1.354 3.306 1.00 34.14 C ATOM 145 CG2 ILE A 11 13.379 1.058 3.579 1.00 35.25 C ATOM 146 CD1 ILE A 11 11.550 -1.578 4.140 1.00 1.13 C ATOM 0 H ILE A 11 11.540 -1.379 0.918 1.00 1.14 H new ATOM 0 HA ILE A 11 10.815 0.516 2.809 1.00 71.31 H new ATOM 0 HB ILE A 11 13.597 -0.102 1.788 1.00 14.23 H new ATOM 0 HG12 ILE A 11 12.847 -2.139 2.552 1.00 34.14 H new ATOM 0 HG13 ILE A 11 13.665 -1.468 3.949 1.00 34.14 H new ATOM 0 HG21 ILE A 11 14.334 0.747 4.002 1.00 35.25 H new ATOM 0 HG22 ILE A 11 13.507 2.003 3.051 1.00 35.25 H new ATOM 0 HG23 ILE A 11 12.651 1.186 4.380 1.00 35.25 H new ATOM 0 HD11 ILE A 11 11.589 -2.569 4.592 1.00 1.13 H new ATOM 0 HD12 ILE A 11 11.497 -0.823 4.924 1.00 1.13 H new ATOM 0 HD13 ILE A 11 10.667 -1.504 3.505 1.00 1.13 H new ATOM 158 N SER A 12 12.288 1.628 0.061 1.00 31.33 N ATOM 159 CA SER A 12 12.517 2.815 -0.742 1.00 34.53 C ATOM 160 C SER A 12 11.195 3.531 -1.048 1.00 43.22 C ATOM 161 O SER A 12 11.137 4.770 -1.087 1.00 43.34 O ATOM 162 CB SER A 12 13.282 2.448 -2.010 1.00 63.02 C ATOM 163 OG SER A 12 14.511 1.805 -1.672 1.00 33.13 O ATOM 0 H SER A 12 12.594 0.758 -0.375 1.00 31.33 H new ATOM 0 HA SER A 12 13.131 3.516 -0.177 1.00 34.53 H new ATOM 0 HB2 SER A 12 12.676 1.788 -2.632 1.00 63.02 H new ATOM 0 HB3 SER A 12 13.481 3.345 -2.597 1.00 63.02 H new ATOM 0 HG SER A 12 14.327 0.902 -1.340 1.00 33.13 H new ATOM 169 N TYR A 13 10.150 2.746 -1.210 1.00 64.21 N ATOM 170 CA TYR A 13 8.804 3.243 -1.384 1.00 11.32 C ATOM 171 C TYR A 13 8.351 3.959 -0.103 1.00 71.35 C ATOM 172 O TYR A 13 8.048 5.158 -0.119 1.00 63.44 O ATOM 173 CB TYR A 13 7.874 2.056 -1.733 1.00 21.34 C ATOM 174 CG TYR A 13 6.390 2.329 -1.635 1.00 52.23 C ATOM 175 CD1 TYR A 13 5.758 3.181 -2.514 1.00 65.42 C ATOM 176 CD2 TYR A 13 5.624 1.726 -0.642 1.00 63.34 C ATOM 177 CE1 TYR A 13 4.408 3.429 -2.412 1.00 32.10 C ATOM 178 CE2 TYR A 13 4.271 1.972 -0.537 1.00 3.15 C ATOM 179 CZ TYR A 13 3.671 2.827 -1.430 1.00 32.10 C ATOM 180 OH TYR A 13 2.326 3.089 -1.335 1.00 62.25 O ATOM 0 H TYR A 13 10.215 1.728 -1.224 1.00 64.21 H new ATOM 0 HA TYR A 13 8.764 3.965 -2.200 1.00 11.32 H new ATOM 0 HB2 TYR A 13 8.098 1.731 -2.749 1.00 21.34 H new ATOM 0 HB3 TYR A 13 8.115 1.224 -1.072 1.00 21.34 H new ATOM 0 HD1 TYR A 13 6.330 3.661 -3.294 1.00 65.42 H new ATOM 0 HD2 TYR A 13 6.097 1.054 0.059 1.00 63.34 H new ATOM 0 HE1 TYR A 13 3.930 4.101 -3.109 1.00 32.10 H new ATOM 0 HE2 TYR A 13 3.689 1.497 0.239 1.00 3.15 H new ATOM 0 HH TYR A 13 1.965 2.658 -0.533 1.00 62.25 H new ATOM 190 N VAL A 14 8.378 3.228 0.997 1.00 55.14 N ATOM 191 CA VAL A 14 7.948 3.721 2.291 1.00 64.14 C ATOM 192 C VAL A 14 8.770 4.925 2.761 1.00 60.42 C ATOM 193 O VAL A 14 8.206 5.932 3.146 1.00 61.41 O ATOM 194 CB VAL A 14 7.964 2.599 3.369 1.00 31.42 C ATOM 195 CG1 VAL A 14 7.627 3.159 4.730 1.00 71.44 C ATOM 196 CG2 VAL A 14 6.975 1.500 3.012 1.00 33.35 C ATOM 0 H VAL A 14 8.704 2.262 1.016 1.00 55.14 H new ATOM 0 HA VAL A 14 6.919 4.056 2.160 1.00 64.14 H new ATOM 0 HB VAL A 14 8.969 2.179 3.399 1.00 31.42 H new ATOM 0 HG11 VAL A 14 7.644 2.357 5.468 1.00 71.44 H new ATOM 0 HG12 VAL A 14 8.360 3.918 5.003 1.00 71.44 H new ATOM 0 HG13 VAL A 14 6.633 3.606 4.703 1.00 71.44 H new ATOM 0 HG21 VAL A 14 7.001 0.725 3.778 1.00 33.35 H new ATOM 0 HG22 VAL A 14 5.971 1.919 2.954 1.00 33.35 H new ATOM 0 HG23 VAL A 14 7.244 1.067 2.048 1.00 33.35 H new ATOM 206 N ASN A 15 10.088 4.815 2.701 1.00 73.52 N ATOM 207 CA ASN A 15 11.017 5.836 3.123 1.00 70.14 C ATOM 208 C ASN A 15 10.760 7.143 2.400 1.00 33.35 C ATOM 209 O ASN A 15 10.856 8.228 2.998 1.00 3.14 O ATOM 210 CB ASN A 15 12.390 5.338 2.779 1.00 21.41 C ATOM 211 CG ASN A 15 13.495 6.174 3.298 1.00 24.24 C ATOM 212 OD1 ASN A 15 13.372 6.864 4.316 1.00 14.51 O ATOM 213 ND2 ASN A 15 14.591 6.099 2.644 1.00 61.21 N ATOM 0 H ASN A 15 10.551 3.979 2.343 1.00 73.52 H new ATOM 0 HA ASN A 15 10.908 6.025 4.191 1.00 70.14 H new ATOM 0 HB2 ASN A 15 12.503 4.326 3.168 1.00 21.41 H new ATOM 0 HB3 ASN A 15 12.478 5.274 1.694 1.00 21.41 H new ATOM 0 HD21 ASN A 15 15.409 6.622 2.958 1.00 61.21 H new ATOM 0 HD22 ASN A 15 14.648 5.517 1.809 1.00 61.21 H new ATOM 220 N LYS A 16 10.413 7.042 1.126 1.00 31.12 N ATOM 221 CA LYS A 16 10.122 8.186 0.347 1.00 32.04 C ATOM 222 C LYS A 16 8.867 8.845 0.883 1.00 50.31 C ATOM 223 O LYS A 16 8.848 10.047 1.081 1.00 53.01 O ATOM 224 CB LYS A 16 9.966 7.778 -1.094 1.00 1.31 C ATOM 225 CG LYS A 16 9.761 8.912 -2.054 1.00 14.23 C ATOM 226 CD LYS A 16 9.657 8.385 -3.457 1.00 61.41 C ATOM 227 CE LYS A 16 10.964 7.800 -3.968 1.00 43.12 C ATOM 228 NZ LYS A 16 10.909 7.520 -5.413 1.00 33.30 N ATOM 0 H LYS A 16 10.332 6.157 0.625 1.00 31.12 H new ATOM 0 HA LYS A 16 10.936 8.909 0.406 1.00 32.04 H new ATOM 0 HB2 LYS A 16 10.853 7.221 -1.397 1.00 1.31 H new ATOM 0 HB3 LYS A 16 9.119 7.096 -1.174 1.00 1.31 H new ATOM 0 HG2 LYS A 16 8.855 9.460 -1.794 1.00 14.23 H new ATOM 0 HG3 LYS A 16 10.591 9.615 -1.981 1.00 14.23 H new ATOM 0 HD2 LYS A 16 8.882 7.619 -3.495 1.00 61.41 H new ATOM 0 HD3 LYS A 16 9.342 9.191 -4.120 1.00 61.41 H new ATOM 0 HE2 LYS A 16 11.778 8.495 -3.763 1.00 43.12 H new ATOM 0 HE3 LYS A 16 11.187 6.880 -3.428 1.00 43.12 H new ATOM 0 HZ1 LYS A 16 11.360 6.603 -5.606 1.00 33.30 H new ATOM 0 HZ2 LYS A 16 9.917 7.490 -5.723 1.00 33.30 H new ATOM 0 HZ3 LYS A 16 11.412 8.269 -5.931 1.00 33.30 H new ATOM 242 N ILE A 17 7.853 8.029 1.172 1.00 53.33 N ATOM 243 CA ILE A 17 6.601 8.477 1.753 1.00 23.32 C ATOM 244 C ILE A 17 6.868 9.205 3.074 1.00 11.40 C ATOM 245 O ILE A 17 6.454 10.357 3.253 1.00 14.15 O ATOM 246 CB ILE A 17 5.679 7.267 2.050 1.00 34.10 C ATOM 247 CG1 ILE A 17 5.296 6.518 0.776 1.00 30.44 C ATOM 248 CG2 ILE A 17 4.450 7.692 2.816 1.00 55.45 C ATOM 249 CD1 ILE A 17 4.478 5.269 1.038 1.00 41.14 C ATOM 0 H ILE A 17 7.886 7.023 1.004 1.00 53.33 H new ATOM 0 HA ILE A 17 6.119 9.146 1.041 1.00 23.32 H new ATOM 0 HB ILE A 17 6.246 6.578 2.675 1.00 34.10 H new ATOM 0 HG12 ILE A 17 4.729 7.185 0.127 1.00 30.44 H new ATOM 0 HG13 ILE A 17 6.203 6.244 0.237 1.00 30.44 H new ATOM 0 HG21 ILE A 17 3.823 6.822 3.009 1.00 55.45 H new ATOM 0 HG22 ILE A 17 4.749 8.142 3.763 1.00 55.45 H new ATOM 0 HG23 ILE A 17 3.889 8.420 2.230 1.00 55.45 H new ATOM 0 HD11 ILE A 17 4.240 4.785 0.091 1.00 41.14 H new ATOM 0 HD12 ILE A 17 5.051 4.583 1.662 1.00 41.14 H new ATOM 0 HD13 ILE A 17 3.554 5.540 1.550 1.00 41.14 H new ATOM 261 N LYS A 18 7.605 8.527 3.960 1.00 71.11 N ATOM 262 CA LYS A 18 7.939 9.008 5.287 1.00 3.53 C ATOM 263 C LYS A 18 8.473 10.442 5.241 1.00 71.14 C ATOM 264 O LYS A 18 8.018 11.299 5.975 1.00 41.44 O ATOM 265 CB LYS A 18 9.007 8.095 5.905 1.00 14.44 C ATOM 266 CG LYS A 18 8.572 6.654 6.048 1.00 31.35 C ATOM 267 CD LYS A 18 9.602 5.784 6.704 1.00 73.10 C ATOM 268 CE LYS A 18 9.665 6.124 8.132 1.00 43.24 C ATOM 269 NZ LYS A 18 10.579 5.245 8.899 1.00 21.21 N ATOM 0 H LYS A 18 7.992 7.605 3.760 1.00 71.11 H new ATOM 0 HA LYS A 18 7.032 8.997 5.891 1.00 3.53 H new ATOM 0 HB2 LYS A 18 9.905 8.134 5.289 1.00 14.44 H new ATOM 0 HB3 LYS A 18 9.278 8.482 6.887 1.00 14.44 H new ATOM 0 HG2 LYS A 18 7.651 6.616 6.630 1.00 31.35 H new ATOM 0 HG3 LYS A 18 8.342 6.252 5.061 1.00 31.35 H new ATOM 0 HD2 LYS A 18 9.345 4.732 6.577 1.00 73.10 H new ATOM 0 HD3 LYS A 18 10.575 5.933 6.237 1.00 73.10 H new ATOM 0 HE2 LYS A 18 9.991 7.159 8.239 1.00 43.24 H new ATOM 0 HE3 LYS A 18 8.664 6.059 8.559 1.00 43.24 H new ATOM 0 HZ1 LYS A 18 10.581 5.534 9.898 1.00 21.21 H new ATOM 0 HZ2 LYS A 18 10.257 4.259 8.824 1.00 21.21 H new ATOM 0 HZ3 LYS A 18 11.542 5.325 8.514 1.00 21.21 H new ATOM 283 N THR A 19 9.441 10.655 4.384 1.00 63.04 N ATOM 284 CA THR A 19 10.094 11.915 4.162 1.00 4.13 C ATOM 285 C THR A 19 9.220 12.932 3.363 1.00 31.10 C ATOM 286 O THR A 19 9.178 14.126 3.680 1.00 74.32 O ATOM 287 CB THR A 19 11.390 11.584 3.412 1.00 51.42 C ATOM 288 OG1 THR A 19 12.380 11.052 4.293 1.00 33.14 O ATOM 289 CG2 THR A 19 11.907 12.713 2.568 1.00 33.44 C ATOM 0 H THR A 19 9.812 9.912 3.792 1.00 63.04 H new ATOM 0 HA THR A 19 10.284 12.411 5.114 1.00 4.13 H new ATOM 0 HB THR A 19 11.137 10.801 2.697 1.00 51.42 H new ATOM 0 HG1 THR A 19 13.194 10.849 3.786 1.00 33.14 H new ATOM 0 HG21 THR A 19 12.825 12.403 2.069 1.00 33.44 H new ATOM 0 HG22 THR A 19 11.160 12.980 1.820 1.00 33.44 H new ATOM 0 HG23 THR A 19 12.111 13.576 3.201 1.00 33.44 H new ATOM 297 N ARG A 20 8.552 12.467 2.349 1.00 62.21 N ATOM 298 CA ARG A 20 7.774 13.335 1.482 1.00 21.14 C ATOM 299 C ARG A 20 6.577 13.913 2.159 1.00 51.55 C ATOM 300 O ARG A 20 6.131 15.012 1.838 1.00 52.43 O ATOM 301 CB ARG A 20 7.410 12.598 0.220 1.00 73.44 C ATOM 302 CG ARG A 20 8.478 12.726 -0.839 1.00 12.33 C ATOM 303 CD ARG A 20 8.433 14.111 -1.466 1.00 55.42 C ATOM 304 NE ARG A 20 9.455 14.298 -2.493 1.00 61.01 N ATOM 305 CZ ARG A 20 9.348 15.129 -3.539 1.00 55.41 C ATOM 306 NH1 ARG A 20 8.185 15.738 -3.799 1.00 31.14 N ATOM 307 NH2 ARG A 20 10.392 15.318 -4.343 1.00 70.34 N ATOM 0 H ARG A 20 8.524 11.481 2.091 1.00 62.21 H new ATOM 0 HA ARG A 20 8.396 14.191 1.222 1.00 21.14 H new ATOM 0 HB2 ARG A 20 7.251 11.544 0.449 1.00 73.44 H new ATOM 0 HB3 ARG A 20 6.468 12.986 -0.167 1.00 73.44 H new ATOM 0 HG2 ARG A 20 9.460 12.550 -0.399 1.00 12.33 H new ATOM 0 HG3 ARG A 20 8.332 11.966 -1.607 1.00 12.33 H new ATOM 0 HD2 ARG A 20 7.449 14.275 -1.905 1.00 55.42 H new ATOM 0 HD3 ARG A 20 8.564 14.862 -0.687 1.00 55.42 H new ATOM 0 HE ARG A 20 10.314 13.755 -2.408 1.00 61.01 H new ATOM 0 HH11 ARG A 20 7.376 15.570 -3.200 1.00 31.14 H new ATOM 0 HH12 ARG A 20 8.107 16.370 -4.596 1.00 31.14 H new ATOM 0 HH21 ARG A 20 11.270 14.831 -4.162 1.00 70.34 H new ATOM 0 HH22 ARG A 20 10.314 15.950 -5.140 1.00 70.34 H new ATOM 321 N PHE A 21 6.077 13.196 3.093 1.00 53.14 N ATOM 322 CA PHE A 21 4.946 13.612 3.847 1.00 63.11 C ATOM 323 C PHE A 21 5.373 13.650 5.299 1.00 13.20 C ATOM 324 O PHE A 21 4.607 13.374 6.199 1.00 4.00 O ATOM 325 CB PHE A 21 3.813 12.617 3.611 1.00 32.21 C ATOM 326 CG PHE A 21 3.502 12.408 2.140 1.00 41.41 C ATOM 327 CD1 PHE A 21 2.666 13.269 1.457 1.00 4.30 C ATOM 328 CD2 PHE A 21 4.050 11.340 1.453 1.00 30.21 C ATOM 329 CE1 PHE A 21 2.378 13.067 0.123 1.00 63.30 C ATOM 330 CE2 PHE A 21 3.776 11.129 0.132 1.00 31.42 C ATOM 331 CZ PHE A 21 2.931 11.992 -0.544 1.00 22.42 C ATOM 0 H PHE A 21 6.446 12.285 3.364 1.00 53.14 H new ATOM 0 HA PHE A 21 4.586 14.598 3.553 1.00 63.11 H new ATOM 0 HB2 PHE A 21 4.078 11.660 4.060 1.00 32.21 H new ATOM 0 HB3 PHE A 21 2.916 12.970 4.120 1.00 32.21 H new ATOM 0 HD1 PHE A 21 2.232 14.112 1.974 1.00 4.30 H new ATOM 0 HD2 PHE A 21 4.708 10.659 1.972 1.00 30.21 H new ATOM 0 HE1 PHE A 21 1.722 13.748 -0.398 1.00 63.30 H new ATOM 0 HE2 PHE A 21 4.218 10.290 -0.385 1.00 31.42 H new ATOM 0 HZ PHE A 21 2.706 11.825 -1.587 1.00 22.42 H new ATOM 341 N LEU A 22 6.621 14.038 5.499 1.00 14.31 N ATOM 342 CA LEU A 22 7.268 14.085 6.807 1.00 11.03 C ATOM 343 C LEU A 22 6.552 15.077 7.729 1.00 61.11 C ATOM 344 O LEU A 22 6.446 14.863 8.929 1.00 62.11 O ATOM 345 CB LEU A 22 8.745 14.487 6.612 1.00 32.14 C ATOM 346 CG LEU A 22 9.811 13.666 7.303 1.00 52.31 C ATOM 347 CD1 LEU A 22 11.189 14.230 7.012 1.00 73.42 C ATOM 348 CD2 LEU A 22 9.567 13.625 8.753 1.00 40.32 C ATOM 0 H LEU A 22 7.231 14.338 4.739 1.00 14.31 H new ATOM 0 HA LEU A 22 7.216 13.103 7.278 1.00 11.03 H new ATOM 0 HB2 LEU A 22 8.955 14.471 5.543 1.00 32.14 H new ATOM 0 HB3 LEU A 22 8.855 15.520 6.943 1.00 32.14 H new ATOM 0 HG LEU A 22 9.768 12.648 6.916 1.00 52.31 H new ATOM 0 HD11 LEU A 22 11.943 13.627 7.517 1.00 73.42 H new ATOM 0 HD12 LEU A 22 11.370 14.212 5.937 1.00 73.42 H new ATOM 0 HD13 LEU A 22 11.245 15.257 7.372 1.00 73.42 H new ATOM 0 HD21 LEU A 22 10.343 13.030 9.236 1.00 40.32 H new ATOM 0 HD22 LEU A 22 9.584 14.639 9.154 1.00 40.32 H new ATOM 0 HD23 LEU A 22 8.593 13.176 8.945 1.00 40.32 H new ATOM 360 N ASP A 23 6.029 16.124 7.143 1.00 3.21 N ATOM 361 CA ASP A 23 5.303 17.162 7.878 1.00 33.43 C ATOM 362 C ASP A 23 3.826 16.760 8.068 1.00 61.24 C ATOM 363 O ASP A 23 3.087 17.362 8.841 1.00 60.22 O ATOM 364 CB ASP A 23 5.438 18.495 7.117 1.00 61.03 C ATOM 365 CG ASP A 23 4.648 19.652 7.695 1.00 11.13 C ATOM 366 OD1 ASP A 23 5.068 20.230 8.726 1.00 71.14 O ATOM 367 OD2 ASP A 23 3.636 20.046 7.095 1.00 15.42 O ATOM 0 H ASP A 23 6.088 16.293 6.139 1.00 3.21 H new ATOM 0 HA ASP A 23 5.730 17.281 8.874 1.00 33.43 H new ATOM 0 HB2 ASP A 23 6.491 18.774 7.089 1.00 61.03 H new ATOM 0 HB3 ASP A 23 5.122 18.340 6.086 1.00 61.03 H new ATOM 372 N HIS A 24 3.433 15.689 7.411 1.00 42.20 N ATOM 373 CA HIS A 24 2.060 15.197 7.455 1.00 42.42 C ATOM 374 C HIS A 24 2.015 13.723 7.858 1.00 23.34 C ATOM 375 O HIS A 24 1.924 12.834 7.000 1.00 12.43 O ATOM 376 CB HIS A 24 1.349 15.391 6.111 1.00 24.20 C ATOM 377 CG HIS A 24 0.913 16.790 5.819 1.00 25.13 C ATOM 378 ND1 HIS A 24 1.748 17.799 5.410 1.00 74.10 N ATOM 379 CD2 HIS A 24 -0.317 17.333 5.889 1.00 12.34 C ATOM 380 CE1 HIS A 24 1.022 18.898 5.254 1.00 55.14 C ATOM 381 NE2 HIS A 24 -0.248 18.671 5.533 1.00 3.03 N ATOM 0 H HIS A 24 4.054 15.129 6.828 1.00 42.20 H new ATOM 0 HA HIS A 24 1.535 15.784 8.209 1.00 42.42 H new ATOM 0 HB2 HIS A 24 2.016 15.061 5.314 1.00 24.20 H new ATOM 0 HB3 HIS A 24 0.474 14.741 6.084 1.00 24.20 H new ATOM 0 HD2 HIS A 24 -1.216 16.809 6.177 1.00 12.34 H new ATOM 0 HE1 HIS A 24 1.418 19.853 4.940 1.00 55.14 H new ATOM 0 HE2 HIS A 24 -1.017 19.340 5.495 1.00 3.03 H new ATOM 389 N PRO A 25 2.072 13.430 9.168 1.00 14.04 N ATOM 390 CA PRO A 25 2.126 12.051 9.669 1.00 34.21 C ATOM 391 C PRO A 25 0.843 11.258 9.392 1.00 53.33 C ATOM 392 O PRO A 25 0.851 10.010 9.416 1.00 42.02 O ATOM 393 CB PRO A 25 2.350 12.215 11.176 1.00 64.53 C ATOM 394 CG PRO A 25 1.868 13.587 11.496 1.00 25.11 C ATOM 395 CD PRO A 25 2.098 14.417 10.269 1.00 42.24 C ATOM 0 HA PRO A 25 2.910 11.480 9.171 1.00 34.21 H new ATOM 0 HB2 PRO A 25 1.799 11.463 11.740 1.00 64.53 H new ATOM 0 HB3 PRO A 25 3.403 12.098 11.433 1.00 64.53 H new ATOM 0 HG2 PRO A 25 0.811 13.574 11.763 1.00 25.11 H new ATOM 0 HG3 PRO A 25 2.407 13.998 12.349 1.00 25.11 H new ATOM 0 HD2 PRO A 25 1.323 15.174 10.147 1.00 42.24 H new ATOM 0 HD3 PRO A 25 3.052 14.942 10.314 1.00 42.24 H new ATOM 403 N GLU A 26 -0.239 11.980 9.110 1.00 44.21 N ATOM 404 CA GLU A 26 -1.523 11.392 8.835 1.00 72.35 C ATOM 405 C GLU A 26 -1.478 10.541 7.562 1.00 22.41 C ATOM 406 O GLU A 26 -1.961 9.439 7.550 1.00 12.25 O ATOM 407 CB GLU A 26 -2.595 12.480 8.697 1.00 63.13 C ATOM 408 CG GLU A 26 -2.363 13.408 7.525 1.00 2.33 C ATOM 409 CD GLU A 26 -3.490 14.356 7.274 1.00 55.14 C ATOM 410 OE1 GLU A 26 -4.566 13.905 6.828 1.00 63.51 O ATOM 411 OE2 GLU A 26 -3.328 15.570 7.500 1.00 55.03 O ATOM 0 H GLU A 26 -0.236 12.999 9.069 1.00 44.21 H new ATOM 0 HA GLU A 26 -1.779 10.745 9.674 1.00 72.35 H new ATOM 0 HB2 GLU A 26 -3.571 12.006 8.588 1.00 63.13 H new ATOM 0 HB3 GLU A 26 -2.626 13.067 9.615 1.00 63.13 H new ATOM 0 HG2 GLU A 26 -1.452 13.980 7.701 1.00 2.33 H new ATOM 0 HG3 GLU A 26 -2.196 12.811 6.628 1.00 2.33 H new ATOM 418 N ILE A 27 -0.804 11.058 6.538 1.00 61.34 N ATOM 419 CA ILE A 27 -0.741 10.467 5.198 1.00 0.34 C ATOM 420 C ILE A 27 -0.135 9.085 5.244 1.00 52.25 C ATOM 421 O ILE A 27 -0.586 8.162 4.562 1.00 40.34 O ATOM 422 CB ILE A 27 0.067 11.419 4.282 1.00 51.24 C ATOM 423 CG1 ILE A 27 -0.703 12.745 4.202 1.00 54.43 C ATOM 424 CG2 ILE A 27 0.328 10.824 2.892 1.00 60.52 C ATOM 425 CD1 ILE A 27 -0.117 13.777 3.295 1.00 64.40 C ATOM 0 H ILE A 27 -0.271 11.924 6.617 1.00 61.34 H new ATOM 0 HA ILE A 27 -1.747 10.350 4.795 1.00 0.34 H new ATOM 0 HB ILE A 27 1.057 11.580 4.708 1.00 51.24 H new ATOM 0 HG12 ILE A 27 -1.721 12.534 3.874 1.00 54.43 H new ATOM 0 HG13 ILE A 27 -0.772 13.166 5.205 1.00 54.43 H new ATOM 0 HG21 ILE A 27 0.898 11.535 2.293 1.00 60.52 H new ATOM 0 HG22 ILE A 27 0.894 9.898 2.993 1.00 60.52 H new ATOM 0 HG23 ILE A 27 -0.623 10.616 2.401 1.00 60.52 H new ATOM 0 HD11 ILE A 27 -0.738 14.672 3.313 1.00 64.40 H new ATOM 0 HD12 ILE A 27 0.890 14.027 3.630 1.00 64.40 H new ATOM 0 HD13 ILE A 27 -0.074 13.386 2.279 1.00 64.40 H new ATOM 437 N TYR A 28 0.828 8.942 6.112 1.00 72.51 N ATOM 438 CA TYR A 28 1.505 7.696 6.318 1.00 34.34 C ATOM 439 C TYR A 28 0.503 6.670 6.857 1.00 35.30 C ATOM 440 O TYR A 28 0.363 5.563 6.342 1.00 33.14 O ATOM 441 CB TYR A 28 2.605 7.912 7.351 1.00 15.22 C ATOM 442 CG TYR A 28 3.589 6.794 7.419 1.00 31.31 C ATOM 443 CD1 TYR A 28 4.579 6.675 6.460 1.00 33.33 C ATOM 444 CD2 TYR A 28 3.521 5.842 8.417 1.00 64.14 C ATOM 445 CE1 TYR A 28 5.466 5.644 6.494 1.00 12.51 C ATOM 446 CE2 TYR A 28 4.410 4.797 8.458 1.00 35.44 C ATOM 447 CZ TYR A 28 5.375 4.695 7.497 1.00 41.13 C ATOM 448 OH TYR A 28 6.256 3.645 7.540 1.00 12.11 O ATOM 0 H TYR A 28 1.168 9.700 6.704 1.00 72.51 H new ATOM 0 HA TYR A 28 1.933 7.335 5.383 1.00 34.34 H new ATOM 0 HB2 TYR A 28 3.134 8.836 7.118 1.00 15.22 H new ATOM 0 HB3 TYR A 28 2.149 8.044 8.332 1.00 15.22 H new ATOM 0 HD1 TYR A 28 4.649 7.411 5.673 1.00 33.33 H new ATOM 0 HD2 TYR A 28 2.757 5.921 9.176 1.00 64.14 H new ATOM 0 HE1 TYR A 28 6.237 5.567 5.742 1.00 12.51 H new ATOM 0 HE2 TYR A 28 4.347 4.060 9.245 1.00 35.44 H new ATOM 0 HH TYR A 28 6.049 3.075 8.310 1.00 12.11 H new ATOM 458 N ARG A 29 -0.239 7.098 7.847 1.00 51.34 N ATOM 459 CA ARG A 29 -1.164 6.252 8.568 1.00 64.02 C ATOM 460 C ARG A 29 -2.432 5.974 7.794 1.00 65.41 C ATOM 461 O ARG A 29 -2.949 4.846 7.828 1.00 70.41 O ATOM 462 CB ARG A 29 -1.473 6.880 9.890 1.00 35.42 C ATOM 463 CG ARG A 29 -0.314 6.802 10.826 1.00 40.21 C ATOM 464 CD ARG A 29 -0.313 7.950 11.772 1.00 3.34 C ATOM 465 NE ARG A 29 0.712 7.792 12.792 1.00 2.40 N ATOM 466 CZ ARG A 29 1.971 8.206 12.681 1.00 24.13 C ATOM 467 NH1 ARG A 29 2.382 8.813 11.569 1.00 11.32 N ATOM 468 NH2 ARG A 29 2.823 8.009 13.673 1.00 42.14 N ATOM 0 H ARG A 29 -0.219 8.061 8.183 1.00 51.34 H new ATOM 0 HA ARG A 29 -0.685 5.284 8.718 1.00 64.02 H new ATOM 0 HB2 ARG A 29 -1.750 7.924 9.741 1.00 35.42 H new ATOM 0 HB3 ARG A 29 -2.334 6.383 10.336 1.00 35.42 H new ATOM 0 HG2 ARG A 29 -0.355 5.867 11.384 1.00 40.21 H new ATOM 0 HG3 ARG A 29 0.616 6.794 10.258 1.00 40.21 H new ATOM 0 HD2 ARG A 29 -0.143 8.876 11.223 1.00 3.34 H new ATOM 0 HD3 ARG A 29 -1.291 8.035 12.246 1.00 3.34 H new ATOM 0 HE ARG A 29 0.444 7.328 13.660 1.00 2.40 H new ATOM 0 HH11 ARG A 29 1.730 8.962 10.799 1.00 11.32 H new ATOM 0 HH12 ARG A 29 3.348 9.129 11.488 1.00 11.32 H new ATOM 0 HH21 ARG A 29 2.515 7.539 14.524 1.00 42.14 H new ATOM 0 HH22 ARG A 29 3.788 8.327 13.587 1.00 42.14 H new ATOM 482 N SER A 30 -2.921 6.990 7.094 1.00 71.34 N ATOM 483 CA SER A 30 -4.100 6.873 6.266 1.00 32.33 C ATOM 484 C SER A 30 -3.850 5.824 5.185 1.00 31.34 C ATOM 485 O SER A 30 -4.752 5.128 4.745 1.00 52.21 O ATOM 486 CB SER A 30 -4.438 8.238 5.641 1.00 35.42 C ATOM 487 OG SER A 30 -4.602 9.240 6.648 1.00 30.13 O ATOM 0 H SER A 30 -2.504 7.921 7.089 1.00 71.34 H new ATOM 0 HA SER A 30 -4.950 6.559 6.872 1.00 32.33 H new ATOM 0 HB2 SER A 30 -3.644 8.534 4.955 1.00 35.42 H new ATOM 0 HB3 SER A 30 -5.352 8.156 5.053 1.00 35.42 H new ATOM 0 HG SER A 30 -3.734 9.435 7.059 1.00 30.13 H new ATOM 493 N PHE A 31 -2.624 5.740 4.747 1.00 60.11 N ATOM 494 CA PHE A 31 -2.237 4.730 3.819 1.00 34.20 C ATOM 495 C PHE A 31 -2.093 3.340 4.469 1.00 3.51 C ATOM 496 O PHE A 31 -2.573 2.344 3.927 1.00 41.02 O ATOM 497 CB PHE A 31 -0.997 5.149 3.045 1.00 72.10 C ATOM 498 CG PHE A 31 -0.305 3.998 2.412 1.00 22.42 C ATOM 499 CD1 PHE A 31 -0.829 3.406 1.288 1.00 24.21 C ATOM 500 CD2 PHE A 31 0.844 3.476 2.978 1.00 0.14 C ATOM 501 CE1 PHE A 31 -0.230 2.317 0.727 1.00 1.54 C ATOM 502 CE2 PHE A 31 1.464 2.382 2.420 1.00 24.04 C ATOM 503 CZ PHE A 31 0.926 1.797 1.289 1.00 14.12 C ATOM 0 H PHE A 31 -1.872 6.370 5.026 1.00 60.11 H new ATOM 0 HA PHE A 31 -3.050 4.625 3.100 1.00 34.20 H new ATOM 0 HB2 PHE A 31 -1.279 5.867 2.275 1.00 72.10 H new ATOM 0 HB3 PHE A 31 -0.307 5.658 3.718 1.00 72.10 H new ATOM 0 HD1 PHE A 31 -1.727 3.809 0.843 1.00 24.21 H new ATOM 0 HD2 PHE A 31 1.258 3.931 3.866 1.00 0.14 H new ATOM 0 HE1 PHE A 31 -0.656 1.860 -0.154 1.00 1.54 H new ATOM 0 HE2 PHE A 31 2.365 1.983 2.862 1.00 24.04 H new ATOM 0 HZ PHE A 31 1.405 0.937 0.844 1.00 14.12 H new ATOM 513 N LEU A 32 -1.434 3.280 5.623 1.00 44.25 N ATOM 514 CA LEU A 32 -1.185 2.019 6.339 1.00 32.45 C ATOM 515 C LEU A 32 -2.458 1.242 6.582 1.00 23.40 C ATOM 516 O LEU A 32 -2.486 0.016 6.463 1.00 30.00 O ATOM 517 CB LEU A 32 -0.522 2.298 7.674 1.00 31.14 C ATOM 518 CG LEU A 32 0.892 2.844 7.639 1.00 33.40 C ATOM 519 CD1 LEU A 32 1.345 3.120 9.043 1.00 20.14 C ATOM 520 CD2 LEU A 32 1.844 1.871 6.952 1.00 0.25 C ATOM 0 H LEU A 32 -1.055 4.102 6.094 1.00 44.25 H new ATOM 0 HA LEU A 32 -0.530 1.419 5.707 1.00 32.45 H new ATOM 0 HB2 LEU A 32 -1.145 3.006 8.220 1.00 31.14 H new ATOM 0 HB3 LEU A 32 -0.513 1.372 8.248 1.00 31.14 H new ATOM 0 HG LEU A 32 0.899 3.769 7.062 1.00 33.40 H new ATOM 0 HD11 LEU A 32 2.362 3.513 9.027 1.00 20.14 H new ATOM 0 HD12 LEU A 32 0.680 3.852 9.503 1.00 20.14 H new ATOM 0 HD13 LEU A 32 1.323 2.196 9.621 1.00 20.14 H new ATOM 0 HD21 LEU A 32 2.850 2.291 6.943 1.00 0.25 H new ATOM 0 HD22 LEU A 32 1.851 0.925 7.494 1.00 0.25 H new ATOM 0 HD23 LEU A 32 1.513 1.700 5.928 1.00 0.25 H new ATOM 532 N GLU A 33 -3.512 1.964 6.865 1.00 5.31 N ATOM 533 CA GLU A 33 -4.787 1.381 7.173 1.00 21.40 C ATOM 534 C GLU A 33 -5.372 0.633 5.954 1.00 11.32 C ATOM 535 O GLU A 33 -6.099 -0.357 6.104 1.00 35.04 O ATOM 536 CB GLU A 33 -5.717 2.461 7.707 1.00 34.43 C ATOM 537 CG GLU A 33 -6.254 3.445 6.683 1.00 23.32 C ATOM 538 CD GLU A 33 -7.050 4.537 7.343 1.00 32.11 C ATOM 539 OE1 GLU A 33 -6.477 5.547 7.767 1.00 52.33 O ATOM 540 OE2 GLU A 33 -8.284 4.376 7.494 1.00 24.45 O ATOM 0 H GLU A 33 -3.506 2.984 6.888 1.00 5.31 H new ATOM 0 HA GLU A 33 -4.666 0.628 7.951 1.00 21.40 H new ATOM 0 HB2 GLU A 33 -6.563 1.976 8.193 1.00 34.43 H new ATOM 0 HB3 GLU A 33 -5.186 3.022 8.476 1.00 34.43 H new ATOM 0 HG2 GLU A 33 -5.426 3.882 6.125 1.00 23.32 H new ATOM 0 HG3 GLU A 33 -6.881 2.919 5.963 1.00 23.32 H new ATOM 547 N ILE A 34 -5.005 1.084 4.768 1.00 23.04 N ATOM 548 CA ILE A 34 -5.426 0.497 3.525 1.00 53.23 C ATOM 549 C ILE A 34 -4.747 -0.848 3.345 1.00 50.31 C ATOM 550 O ILE A 34 -5.372 -1.821 2.948 1.00 41.51 O ATOM 551 CB ILE A 34 -5.047 1.445 2.375 1.00 21.23 C ATOM 552 CG1 ILE A 34 -5.814 2.757 2.551 1.00 33.43 C ATOM 553 CG2 ILE A 34 -5.278 0.813 1.002 1.00 10.01 C ATOM 554 CD1 ILE A 34 -5.393 3.857 1.630 1.00 43.52 C ATOM 0 H ILE A 34 -4.390 1.889 4.648 1.00 23.04 H new ATOM 0 HA ILE A 34 -6.505 0.346 3.527 1.00 53.23 H new ATOM 0 HB ILE A 34 -3.977 1.650 2.417 1.00 21.23 H new ATOM 0 HG12 ILE A 34 -6.876 2.564 2.402 1.00 33.43 H new ATOM 0 HG13 ILE A 34 -5.693 3.097 3.580 1.00 33.43 H new ATOM 0 HG21 ILE A 34 -4.996 1.521 0.223 1.00 10.01 H new ATOM 0 HG22 ILE A 34 -4.672 -0.088 0.910 1.00 10.01 H new ATOM 0 HG23 ILE A 34 -6.331 0.555 0.893 1.00 10.01 H new ATOM 0 HD11 ILE A 34 -5.991 4.746 1.828 1.00 43.52 H new ATOM 0 HD12 ILE A 34 -4.340 4.085 1.793 1.00 43.52 H new ATOM 0 HD13 ILE A 34 -5.541 3.543 0.597 1.00 43.52 H new ATOM 566 N LEU A 35 -3.479 -0.913 3.686 1.00 24.25 N ATOM 567 CA LEU A 35 -2.738 -2.127 3.561 1.00 35.23 C ATOM 568 C LEU A 35 -3.242 -3.117 4.616 1.00 74.43 C ATOM 569 O LEU A 35 -3.389 -4.306 4.351 1.00 53.33 O ATOM 570 CB LEU A 35 -1.263 -1.815 3.755 1.00 12.31 C ATOM 571 CG LEU A 35 -0.234 -2.766 3.121 1.00 55.35 C ATOM 572 CD1 LEU A 35 -0.258 -4.168 3.725 1.00 31.41 C ATOM 573 CD2 LEU A 35 -0.420 -2.837 1.614 1.00 10.10 C ATOM 0 H LEU A 35 -2.945 -0.126 4.054 1.00 24.25 H new ATOM 0 HA LEU A 35 -2.871 -2.573 2.576 1.00 35.23 H new ATOM 0 HB2 LEU A 35 -1.079 -0.815 3.363 1.00 12.31 H new ATOM 0 HB3 LEU A 35 -1.068 -1.778 4.827 1.00 12.31 H new ATOM 0 HG LEU A 35 0.746 -2.345 3.344 1.00 55.35 H new ATOM 0 HD11 LEU A 35 0.491 -4.789 3.234 1.00 31.41 H new ATOM 0 HD12 LEU A 35 -0.038 -4.109 4.791 1.00 31.41 H new ATOM 0 HD13 LEU A 35 -1.245 -4.609 3.582 1.00 31.41 H new ATOM 0 HD21 LEU A 35 0.319 -3.516 1.188 1.00 10.10 H new ATOM 0 HD22 LEU A 35 -1.422 -3.203 1.388 1.00 10.10 H new ATOM 0 HD23 LEU A 35 -0.291 -1.844 1.184 1.00 10.10 H new ATOM 585 N HIS A 36 -3.545 -2.603 5.793 1.00 5.51 N ATOM 586 CA HIS A 36 -4.073 -3.434 6.864 1.00 51.12 C ATOM 587 C HIS A 36 -5.430 -4.015 6.496 1.00 14.31 C ATOM 588 O HIS A 36 -5.688 -5.175 6.743 1.00 31.21 O ATOM 589 CB HIS A 36 -4.166 -2.676 8.197 1.00 61.11 C ATOM 590 CG HIS A 36 -2.844 -2.309 8.800 1.00 72.34 C ATOM 591 ND1 HIS A 36 -2.596 -1.110 9.431 1.00 4.42 N ATOM 592 CD2 HIS A 36 -1.692 -3.018 8.885 1.00 35.31 C ATOM 593 CE1 HIS A 36 -1.337 -1.121 9.864 1.00 32.34 C ATOM 594 NE2 HIS A 36 -0.738 -2.262 9.561 1.00 11.33 N ATOM 0 H HIS A 36 -3.436 -1.618 6.034 1.00 5.51 H new ATOM 0 HA HIS A 36 -3.366 -4.253 6.996 1.00 51.12 H new ATOM 0 HB2 HIS A 36 -4.745 -1.766 8.042 1.00 61.11 H new ATOM 0 HB3 HIS A 36 -4.718 -3.288 8.910 1.00 61.11 H new ATOM 0 HD2 HIS A 36 -1.538 -4.012 8.491 1.00 35.31 H new ATOM 0 HE1 HIS A 36 -0.866 -0.306 10.393 1.00 32.34 H new ATOM 0 HE2 HIS A 36 0.222 -2.531 9.777 1.00 11.33 H new ATOM 602 N THR A 37 -6.280 -3.225 5.852 1.00 15.41 N ATOM 603 CA THR A 37 -7.607 -3.697 5.519 1.00 44.11 C ATOM 604 C THR A 37 -7.530 -4.649 4.326 1.00 31.42 C ATOM 605 O THR A 37 -8.391 -5.518 4.138 1.00 75.01 O ATOM 606 CB THR A 37 -8.564 -2.518 5.223 1.00 54.33 C ATOM 607 OG1 THR A 37 -9.924 -2.943 5.315 1.00 74.35 O ATOM 608 CG2 THR A 37 -8.324 -1.931 3.848 1.00 52.44 C ATOM 0 H THR A 37 -6.074 -2.271 5.556 1.00 15.41 H new ATOM 0 HA THR A 37 -8.010 -4.235 6.377 1.00 44.11 H new ATOM 0 HB THR A 37 -8.363 -1.749 5.969 1.00 54.33 H new ATOM 0 HG1 THR A 37 -10.517 -2.186 5.127 1.00 74.35 H new ATOM 0 HG21 THR A 37 -9.016 -1.106 3.679 1.00 52.44 H new ATOM 0 HG22 THR A 37 -7.299 -1.565 3.783 1.00 52.44 H new ATOM 0 HG23 THR A 37 -8.484 -2.699 3.091 1.00 52.44 H new ATOM 616 N TYR A 38 -6.482 -4.470 3.543 1.00 2.51 N ATOM 617 CA TYR A 38 -6.203 -5.285 2.379 1.00 60.42 C ATOM 618 C TYR A 38 -6.004 -6.732 2.828 1.00 35.12 C ATOM 619 O TYR A 38 -6.528 -7.686 2.230 1.00 60.04 O ATOM 620 CB TYR A 38 -4.922 -4.771 1.696 1.00 15.31 C ATOM 621 CG TYR A 38 -4.650 -5.388 0.363 1.00 54.43 C ATOM 622 CD1 TYR A 38 -5.321 -4.930 -0.722 1.00 22.34 C ATOM 623 CD2 TYR A 38 -3.743 -6.424 0.199 1.00 43.32 C ATOM 624 CE1 TYR A 38 -5.123 -5.470 -1.991 1.00 23.10 C ATOM 625 CE2 TYR A 38 -3.528 -6.988 -1.053 1.00 52.41 C ATOM 626 CZ TYR A 38 -4.226 -6.502 -2.149 1.00 34.11 C ATOM 627 OH TYR A 38 -4.025 -7.057 -3.403 1.00 3.32 O ATOM 0 H TYR A 38 -5.789 -3.739 3.703 1.00 2.51 H new ATOM 0 HA TYR A 38 -7.032 -5.231 1.674 1.00 60.42 H new ATOM 0 HB2 TYR A 38 -4.996 -3.690 1.575 1.00 15.31 H new ATOM 0 HB3 TYR A 38 -4.072 -4.961 2.352 1.00 15.31 H new ATOM 0 HD1 TYR A 38 -6.029 -4.124 -0.599 1.00 22.34 H new ATOM 0 HD2 TYR A 38 -3.198 -6.797 1.053 1.00 43.32 H new ATOM 0 HE1 TYR A 38 -5.667 -5.084 -2.840 1.00 23.10 H new ATOM 0 HE2 TYR A 38 -2.823 -7.798 -1.172 1.00 52.41 H new ATOM 0 HH TYR A 38 -4.176 -6.375 -4.091 1.00 3.32 H new ATOM 637 N GLN A 39 -5.289 -6.868 3.926 1.00 60.25 N ATOM 638 CA GLN A 39 -4.973 -8.150 4.510 1.00 22.11 C ATOM 639 C GLN A 39 -6.200 -8.895 5.000 1.00 50.13 C ATOM 640 O GLN A 39 -6.181 -10.095 5.105 1.00 45.10 O ATOM 641 CB GLN A 39 -3.947 -8.006 5.617 1.00 21.33 C ATOM 642 CG GLN A 39 -2.582 -7.519 5.136 1.00 22.31 C ATOM 643 CD GLN A 39 -1.877 -8.473 4.161 1.00 31.23 C ATOM 644 OE1 GLN A 39 -2.501 -9.213 3.389 1.00 63.32 O ATOM 645 NE2 GLN A 39 -0.577 -8.463 4.189 1.00 23.12 N ATOM 0 H GLN A 39 -4.906 -6.077 4.444 1.00 60.25 H new ATOM 0 HA GLN A 39 -4.541 -8.755 3.712 1.00 22.11 H new ATOM 0 HB2 GLN A 39 -4.328 -7.309 6.364 1.00 21.33 H new ATOM 0 HB3 GLN A 39 -3.824 -8.969 6.113 1.00 21.33 H new ATOM 0 HG2 GLN A 39 -2.705 -6.550 4.652 1.00 22.31 H new ATOM 0 HG3 GLN A 39 -1.939 -7.364 6.002 1.00 22.31 H new ATOM 0 HE21 GLN A 39 -0.086 -7.844 4.834 1.00 23.12 H new ATOM 0 HE22 GLN A 39 -0.049 -9.074 3.566 1.00 23.12 H new ATOM 654 N LYS A 40 -7.268 -8.182 5.282 1.00 12.33 N ATOM 655 CA LYS A 40 -8.507 -8.807 5.745 1.00 42.42 C ATOM 656 C LYS A 40 -9.217 -9.621 4.673 1.00 13.50 C ATOM 657 O LYS A 40 -10.093 -10.436 4.978 1.00 3.40 O ATOM 658 CB LYS A 40 -9.446 -7.816 6.402 1.00 72.05 C ATOM 659 CG LYS A 40 -9.116 -7.579 7.868 1.00 13.44 C ATOM 660 CD LYS A 40 -7.731 -6.986 8.066 1.00 63.15 C ATOM 661 CE LYS A 40 -7.397 -6.749 9.525 1.00 71.11 C ATOM 662 NZ LYS A 40 -7.497 -7.980 10.336 1.00 12.53 N ATOM 0 H LYS A 40 -7.313 -7.166 5.202 1.00 12.33 H new ATOM 0 HA LYS A 40 -8.195 -9.518 6.510 1.00 42.42 H new ATOM 0 HB2 LYS A 40 -9.401 -6.868 5.866 1.00 72.05 H new ATOM 0 HB3 LYS A 40 -10.470 -8.181 6.318 1.00 72.05 H new ATOM 0 HG2 LYS A 40 -9.859 -6.909 8.300 1.00 13.44 H new ATOM 0 HG3 LYS A 40 -9.184 -8.523 8.409 1.00 13.44 H new ATOM 0 HD2 LYS A 40 -6.989 -7.656 7.632 1.00 63.15 H new ATOM 0 HD3 LYS A 40 -7.664 -6.042 7.525 1.00 63.15 H new ATOM 0 HE2 LYS A 40 -6.386 -6.348 9.602 1.00 71.11 H new ATOM 0 HE3 LYS A 40 -8.071 -5.995 9.931 1.00 71.11 H new ATOM 0 HZ1 LYS A 40 -7.099 -7.806 11.281 1.00 12.53 H new ATOM 0 HZ2 LYS A 40 -8.496 -8.256 10.426 1.00 12.53 H new ATOM 0 HZ3 LYS A 40 -6.967 -8.745 9.873 1.00 12.53 H new ATOM 676 N GLU A 41 -8.859 -9.407 3.426 1.00 20.31 N ATOM 677 CA GLU A 41 -9.421 -10.212 2.368 1.00 12.01 C ATOM 678 C GLU A 41 -8.419 -11.297 1.979 1.00 44.44 C ATOM 679 O GLU A 41 -8.790 -12.447 1.744 1.00 15.11 O ATOM 680 CB GLU A 41 -9.776 -9.372 1.152 1.00 60.23 C ATOM 681 CG GLU A 41 -10.499 -10.166 0.080 1.00 61.23 C ATOM 682 CD GLU A 41 -10.618 -9.419 -1.196 1.00 11.33 C ATOM 683 OE1 GLU A 41 -9.670 -9.454 -1.986 1.00 22.24 O ATOM 684 OE2 GLU A 41 -11.652 -8.764 -1.443 1.00 50.35 O ATOM 0 H GLU A 41 -8.193 -8.695 3.125 1.00 20.31 H new ATOM 0 HA GLU A 41 -10.342 -10.666 2.733 1.00 12.01 H new ATOM 0 HB2 GLU A 41 -10.403 -8.536 1.464 1.00 60.23 H new ATOM 0 HB3 GLU A 41 -8.865 -8.947 0.731 1.00 60.23 H new ATOM 0 HG2 GLU A 41 -9.966 -11.100 -0.098 1.00 61.23 H new ATOM 0 HG3 GLU A 41 -11.494 -10.430 0.437 1.00 61.23 H new ATOM 691 N GLN A 42 -7.137 -10.912 1.926 1.00 22.12 N ATOM 692 CA GLN A 42 -6.057 -11.840 1.585 1.00 43.52 C ATOM 693 C GLN A 42 -5.952 -12.921 2.652 1.00 33.44 C ATOM 694 O GLN A 42 -5.811 -14.112 2.352 1.00 2.02 O ATOM 695 CB GLN A 42 -4.749 -11.088 1.427 1.00 45.11 C ATOM 696 CG GLN A 42 -4.794 -10.020 0.338 1.00 65.53 C ATOM 697 CD GLN A 42 -5.086 -10.587 -1.046 1.00 70.44 C ATOM 698 OE1 GLN A 42 -4.709 -11.722 -1.367 1.00 25.14 O ATOM 699 NE2 GLN A 42 -5.767 -9.822 -1.866 1.00 25.23 N ATOM 0 H GLN A 42 -6.824 -9.960 2.116 1.00 22.12 H new ATOM 0 HA GLN A 42 -6.279 -12.322 0.633 1.00 43.52 H new ATOM 0 HB2 GLN A 42 -4.491 -10.618 2.376 1.00 45.11 H new ATOM 0 HB3 GLN A 42 -3.955 -11.798 1.197 1.00 45.11 H new ATOM 0 HG2 GLN A 42 -5.557 -9.284 0.591 1.00 65.53 H new ATOM 0 HG3 GLN A 42 -3.840 -9.494 0.314 1.00 65.53 H new ATOM 0 HE21 GLN A 42 -6.062 -8.892 -1.569 1.00 25.23 H new ATOM 0 HE22 GLN A 42 -6.001 -10.157 -2.800 1.00 25.23 H new ATOM 708 N LEU A 43 -6.014 -12.498 3.888 1.00 12.42 N ATOM 709 CA LEU A 43 -6.171 -13.382 5.007 1.00 5.12 C ATOM 710 C LEU A 43 -7.661 -13.371 5.252 1.00 43.11 C ATOM 711 O LEU A 43 -8.168 -12.585 6.066 1.00 53.11 O ATOM 712 CB LEU A 43 -5.401 -12.904 6.285 1.00 32.50 C ATOM 713 CG LEU A 43 -3.869 -12.972 6.298 1.00 41.40 C ATOM 714 CD1 LEU A 43 -3.432 -14.387 6.215 1.00 3.13 C ATOM 715 CD2 LEU A 43 -3.259 -12.169 5.174 1.00 22.14 C ATOM 0 H LEU A 43 -5.956 -11.513 4.146 1.00 12.42 H new ATOM 0 HA LEU A 43 -5.761 -14.370 4.796 1.00 5.12 H new ATOM 0 HB2 LEU A 43 -5.686 -11.869 6.473 1.00 32.50 H new ATOM 0 HB3 LEU A 43 -5.764 -13.493 7.127 1.00 32.50 H new ATOM 0 HG LEU A 43 -3.521 -12.535 7.234 1.00 41.40 H new ATOM 0 HD11 LEU A 43 -2.343 -14.433 6.224 1.00 3.13 H new ATOM 0 HD12 LEU A 43 -3.826 -14.940 7.068 1.00 3.13 H new ATOM 0 HD13 LEU A 43 -3.806 -14.830 5.292 1.00 3.13 H new ATOM 0 HD21 LEU A 43 -2.173 -12.245 5.221 1.00 22.14 H new ATOM 0 HD22 LEU A 43 -3.609 -12.557 4.218 1.00 22.14 H new ATOM 0 HD23 LEU A 43 -3.554 -11.124 5.271 1.00 22.14 H new ATOM 727 N HIS A 44 -8.348 -14.159 4.452 1.00 5.14 N ATOM 728 CA HIS A 44 -9.789 -14.130 4.306 1.00 64.22 C ATOM 729 C HIS A 44 -10.551 -14.156 5.616 1.00 3.41 C ATOM 730 O HIS A 44 -10.592 -15.167 6.319 1.00 2.51 O ATOM 731 CB HIS A 44 -10.266 -15.246 3.367 1.00 3.14 C ATOM 732 CG HIS A 44 -11.710 -15.129 2.982 1.00 51.13 C ATOM 733 ND1 HIS A 44 -12.704 -15.957 3.441 1.00 52.50 N ATOM 734 CD2 HIS A 44 -12.310 -14.257 2.141 1.00 72.01 C ATOM 735 CE1 HIS A 44 -13.848 -15.572 2.880 1.00 73.13 C ATOM 736 NE2 HIS A 44 -13.664 -14.543 2.081 1.00 23.33 N ATOM 0 H HIS A 44 -7.902 -14.863 3.864 1.00 5.14 H new ATOM 0 HA HIS A 44 -10.018 -13.163 3.859 1.00 64.22 H new ATOM 0 HB2 HIS A 44 -9.656 -15.235 2.464 1.00 3.14 H new ATOM 0 HB3 HIS A 44 -10.104 -16.210 3.850 1.00 3.14 H new ATOM 0 HD1 HIS A 44 -12.587 -16.730 4.096 1.00 52.50 H new ATOM 0 HD2 HIS A 44 -11.813 -13.464 1.602 1.00 72.01 H new ATOM 0 HE1 HIS A 44 -14.803 -16.043 3.058 1.00 73.13 H new ATOM 744 N THR A 45 -11.126 -13.035 5.931 1.00 53.05 N ATOM 745 CA THR A 45 -11.973 -12.905 7.058 1.00 61.51 C ATOM 746 C THR A 45 -13.388 -13.187 6.579 1.00 50.21 C ATOM 747 O THR A 45 -13.819 -12.647 5.553 1.00 13.11 O ATOM 748 CB THR A 45 -11.866 -11.476 7.624 1.00 41.13 C ATOM 749 OG1 THR A 45 -10.473 -11.150 7.796 1.00 41.11 O ATOM 750 CG2 THR A 45 -12.574 -11.366 8.970 1.00 11.35 C ATOM 0 H THR A 45 -11.012 -12.174 5.396 1.00 53.05 H new ATOM 0 HA THR A 45 -11.693 -13.598 7.851 1.00 61.51 H new ATOM 0 HB THR A 45 -12.341 -10.785 6.927 1.00 41.13 H new ATOM 0 HG1 THR A 45 -10.099 -10.851 6.941 1.00 41.11 H new ATOM 0 HG21 THR A 45 -12.483 -10.347 9.347 1.00 11.35 H new ATOM 0 HG22 THR A 45 -13.628 -11.615 8.848 1.00 11.35 H new ATOM 0 HG23 THR A 45 -12.118 -12.057 9.679 1.00 11.35 H new ATOM 758 N LYS A 46 -14.072 -14.079 7.258 1.00 25.25 N ATOM 759 CA LYS A 46 -15.423 -14.431 6.895 1.00 14.30 C ATOM 760 C LYS A 46 -16.433 -13.311 7.116 1.00 63.30 C ATOM 761 O LYS A 46 -17.011 -13.167 8.198 1.00 5.13 O ATOM 762 CB LYS A 46 -15.882 -15.732 7.554 1.00 62.04 C ATOM 763 CG LYS A 46 -15.458 -17.018 6.833 1.00 41.42 C ATOM 764 CD LYS A 46 -16.045 -17.111 5.410 1.00 31.14 C ATOM 765 CE LYS A 46 -17.587 -17.102 5.376 1.00 51.21 C ATOM 766 NZ LYS A 46 -18.186 -18.297 6.011 1.00 12.25 N ATOM 0 H LYS A 46 -13.710 -14.577 8.071 1.00 25.25 H new ATOM 0 HA LYS A 46 -15.389 -14.597 5.818 1.00 14.30 H new ATOM 0 HB2 LYS A 46 -15.493 -15.761 8.572 1.00 62.04 H new ATOM 0 HB3 LYS A 46 -16.969 -15.718 7.628 1.00 62.04 H new ATOM 0 HG2 LYS A 46 -14.370 -17.060 6.778 1.00 41.42 H new ATOM 0 HG3 LYS A 46 -15.781 -17.881 7.414 1.00 41.42 H new ATOM 0 HD2 LYS A 46 -15.672 -16.276 4.817 1.00 31.14 H new ATOM 0 HD3 LYS A 46 -15.685 -18.024 4.936 1.00 31.14 H new ATOM 0 HE2 LYS A 46 -17.951 -16.208 5.882 1.00 51.21 H new ATOM 0 HE3 LYS A 46 -17.922 -17.041 4.340 1.00 51.21 H new ATOM 0 HZ1 LYS A 46 -19.223 -18.235 5.958 1.00 12.25 H new ATOM 0 HZ2 LYS A 46 -17.864 -19.152 5.514 1.00 12.25 H new ATOM 0 HZ3 LYS A 46 -17.892 -18.344 7.008 1.00 12.25 H new ATOM 780 N GLY A 47 -16.565 -12.497 6.114 1.00 30.30 N ATOM 781 CA GLY A 47 -17.600 -11.506 6.053 1.00 24.13 C ATOM 782 C GLY A 47 -18.419 -11.788 4.829 1.00 44.15 C ATOM 783 O GLY A 47 -19.554 -12.252 4.913 1.00 5.54 O ATOM 0 H GLY A 47 -15.948 -12.501 5.302 1.00 30.30 H new ATOM 0 HA2 GLY A 47 -18.221 -11.544 6.948 1.00 24.13 H new ATOM 0 HA3 GLY A 47 -17.171 -10.505 6.006 1.00 24.13 H new ATOM 787 N ARG A 48 -17.816 -11.561 3.699 1.00 31.32 N ATOM 788 CA ARG A 48 -18.344 -11.873 2.430 1.00 44.42 C ATOM 789 C ARG A 48 -17.408 -12.881 1.763 1.00 32.11 C ATOM 790 O ARG A 48 -16.232 -12.952 2.125 1.00 23.13 O ATOM 791 CB ARG A 48 -18.414 -10.613 1.604 1.00 15.11 C ATOM 792 CG ARG A 48 -19.516 -9.656 1.995 1.00 54.14 C ATOM 793 CD ARG A 48 -19.488 -8.402 1.132 1.00 60.43 C ATOM 794 NE ARG A 48 -18.246 -7.624 1.306 1.00 5.22 N ATOM 795 CZ ARG A 48 -17.953 -6.476 0.669 1.00 24.22 C ATOM 796 NH1 ARG A 48 -18.826 -5.951 -0.191 1.00 31.44 N ATOM 797 NH2 ARG A 48 -16.795 -5.854 0.907 1.00 24.25 N ATOM 0 H ARG A 48 -16.893 -11.129 3.650 1.00 31.32 H new ATOM 0 HA ARG A 48 -19.345 -12.296 2.519 1.00 44.42 H new ATOM 0 HB2 ARG A 48 -17.459 -10.094 1.678 1.00 15.11 H new ATOM 0 HB3 ARG A 48 -18.546 -10.889 0.558 1.00 15.11 H new ATOM 0 HG2 ARG A 48 -20.483 -10.149 1.893 1.00 54.14 H new ATOM 0 HG3 ARG A 48 -19.407 -9.381 3.044 1.00 54.14 H new ATOM 0 HD2 ARG A 48 -19.593 -8.683 0.084 1.00 60.43 H new ATOM 0 HD3 ARG A 48 -20.344 -7.774 1.381 1.00 60.43 H new ATOM 0 HE ARG A 48 -17.554 -7.986 1.962 1.00 5.22 H new ATOM 0 HH11 ARG A 48 -19.715 -6.420 -0.365 1.00 31.44 H new ATOM 0 HH12 ARG A 48 -18.605 -5.081 -0.675 1.00 31.44 H new ATOM 0 HH21 ARG A 48 -16.131 -6.249 1.573 1.00 24.25 H new ATOM 0 HH22 ARG A 48 -16.575 -4.984 0.423 1.00 24.25 H new ATOM 811 N PRO A 49 -17.892 -13.674 0.805 1.00 20.52 N ATOM 812 CA PRO A 49 -17.064 -14.666 0.137 1.00 3.32 C ATOM 813 C PRO A 49 -16.114 -14.041 -0.889 1.00 43.31 C ATOM 814 O PRO A 49 -16.540 -13.628 -1.983 1.00 2.35 O ATOM 815 CB PRO A 49 -18.069 -15.608 -0.533 1.00 41.41 C ATOM 816 CG PRO A 49 -19.351 -14.835 -0.650 1.00 30.32 C ATOM 817 CD PRO A 49 -19.275 -13.660 0.298 1.00 75.54 C ATOM 0 HA PRO A 49 -16.408 -15.181 0.839 1.00 3.32 H new ATOM 0 HB2 PRO A 49 -17.713 -15.923 -1.514 1.00 41.41 H new ATOM 0 HB3 PRO A 49 -18.211 -16.511 0.060 1.00 41.41 H new ATOM 0 HG2 PRO A 49 -19.496 -14.490 -1.674 1.00 30.32 H new ATOM 0 HG3 PRO A 49 -20.203 -15.469 -0.404 1.00 30.32 H new ATOM 0 HD2 PRO A 49 -19.499 -12.724 -0.214 1.00 75.54 H new ATOM 0 HD3 PRO A 49 -19.995 -13.760 1.110 1.00 75.54 H new ATOM 825 N PHE A 50 -14.843 -13.905 -0.483 1.00 64.35 N ATOM 826 CA PHE A 50 -13.753 -13.366 -1.310 1.00 41.31 C ATOM 827 C PHE A 50 -14.110 -11.956 -1.809 1.00 44.52 C ATOM 828 O PHE A 50 -13.816 -11.559 -2.936 1.00 35.30 O ATOM 829 CB PHE A 50 -13.416 -14.345 -2.468 1.00 31.52 C ATOM 830 CG PHE A 50 -12.183 -13.973 -3.271 1.00 71.32 C ATOM 831 CD1 PHE A 50 -10.942 -13.873 -2.659 1.00 45.32 C ATOM 832 CD2 PHE A 50 -12.270 -13.727 -4.632 1.00 22.34 C ATOM 833 CE1 PHE A 50 -9.818 -13.532 -3.388 1.00 14.42 C ATOM 834 CE2 PHE A 50 -11.149 -13.386 -5.363 1.00 64.22 C ATOM 835 CZ PHE A 50 -9.923 -13.287 -4.742 1.00 2.32 C ATOM 0 H PHE A 50 -14.537 -14.173 0.452 1.00 64.35 H new ATOM 0 HA PHE A 50 -12.851 -13.271 -0.705 1.00 41.31 H new ATOM 0 HB2 PHE A 50 -13.276 -15.343 -2.053 1.00 31.52 H new ATOM 0 HB3 PHE A 50 -14.271 -14.397 -3.142 1.00 31.52 H new ATOM 0 HD1 PHE A 50 -10.853 -14.064 -1.600 1.00 45.32 H new ATOM 0 HD2 PHE A 50 -13.227 -13.803 -5.127 1.00 22.34 H new ATOM 0 HE1 PHE A 50 -8.858 -13.457 -2.898 1.00 14.42 H new ATOM 0 HE2 PHE A 50 -11.233 -13.197 -6.423 1.00 64.22 H new ATOM 0 HZ PHE A 50 -9.047 -13.018 -5.313 1.00 2.32 H new ATOM 845 N ARG A 51 -14.738 -11.214 -0.958 1.00 42.32 N ATOM 846 CA ARG A 51 -15.127 -9.875 -1.261 1.00 64.34 C ATOM 847 C ARG A 51 -14.946 -9.054 -0.015 1.00 52.02 C ATOM 848 O ARG A 51 -15.788 -9.054 0.871 1.00 73.44 O ATOM 849 CB ARG A 51 -16.581 -9.829 -1.712 1.00 4.02 C ATOM 850 CG ARG A 51 -17.082 -8.460 -2.162 1.00 64.45 C ATOM 851 CD ARG A 51 -16.412 -7.992 -3.436 1.00 41.41 C ATOM 852 NE ARG A 51 -16.800 -6.618 -3.773 1.00 65.13 N ATOM 853 CZ ARG A 51 -16.237 -5.884 -4.738 1.00 70.02 C ATOM 854 NH1 ARG A 51 -15.475 -6.457 -5.663 1.00 30.42 N ATOM 855 NH2 ARG A 51 -16.495 -4.589 -4.813 1.00 21.33 N ATOM 0 H ARG A 51 -14.999 -11.523 -0.022 1.00 42.32 H new ATOM 0 HA ARG A 51 -14.515 -9.481 -2.073 1.00 64.34 H new ATOM 0 HB2 ARG A 51 -16.712 -10.533 -2.534 1.00 4.02 H new ATOM 0 HB3 ARG A 51 -17.210 -10.176 -0.892 1.00 4.02 H new ATOM 0 HG2 ARG A 51 -18.160 -8.503 -2.316 1.00 64.45 H new ATOM 0 HG3 ARG A 51 -16.902 -7.732 -1.371 1.00 64.45 H new ATOM 0 HD2 ARG A 51 -15.330 -8.048 -3.321 1.00 41.41 H new ATOM 0 HD3 ARG A 51 -16.680 -8.659 -4.256 1.00 41.41 H new ATOM 0 HE ARG A 51 -17.553 -6.192 -3.232 1.00 65.13 H new ATOM 0 HH11 ARG A 51 -15.316 -7.464 -5.640 1.00 30.42 H new ATOM 0 HH12 ARG A 51 -15.049 -5.890 -6.396 1.00 30.42 H new ATOM 0 HH21 ARG A 51 -17.122 -4.154 -4.136 1.00 21.33 H new ATOM 0 HH22 ARG A 51 -16.067 -4.026 -5.548 1.00 21.33 H new ATOM 869 N GLY A 52 -13.837 -8.446 0.082 1.00 73.51 N ATOM 870 CA GLY A 52 -13.535 -7.633 1.220 1.00 63.34 C ATOM 871 C GLY A 52 -12.926 -6.334 0.834 1.00 14.32 C ATOM 872 O GLY A 52 -13.232 -5.295 1.423 1.00 55.03 O ATOM 0 H GLY A 52 -13.098 -8.487 -0.619 1.00 73.51 H new ATOM 0 HA2 GLY A 52 -14.448 -7.450 1.787 1.00 63.34 H new ATOM 0 HA3 GLY A 52 -12.853 -8.171 1.878 1.00 63.34 H new ATOM 876 N MET A 53 -12.094 -6.362 -0.165 1.00 4.22 N ATOM 877 CA MET A 53 -11.386 -5.227 -0.572 1.00 15.41 C ATOM 878 C MET A 53 -10.992 -5.397 -2.017 1.00 52.42 C ATOM 879 O MET A 53 -10.151 -6.248 -2.351 1.00 73.54 O ATOM 880 CB MET A 53 -10.167 -5.174 0.282 1.00 32.14 C ATOM 881 CG MET A 53 -9.382 -3.969 0.084 1.00 1.20 C ATOM 882 SD MET A 53 -10.134 -2.509 0.791 1.00 32.04 S ATOM 883 CE MET A 53 -8.771 -1.366 0.636 1.00 52.33 C ATOM 0 H MET A 53 -11.899 -7.197 -0.717 1.00 4.22 H new ATOM 0 HA MET A 53 -11.975 -4.315 -0.475 1.00 15.41 H new ATOM 0 HB2 MET A 53 -10.462 -5.240 1.329 1.00 32.14 H new ATOM 0 HB3 MET A 53 -9.545 -6.044 0.071 1.00 32.14 H new ATOM 0 HG2 MET A 53 -8.395 -4.110 0.525 1.00 1.20 H new ATOM 0 HG3 MET A 53 -9.234 -3.812 -0.984 1.00 1.20 H new ATOM 0 HE1 MET A 53 -8.932 -0.515 1.298 1.00 52.33 H new ATOM 0 HE2 MET A 53 -7.843 -1.868 0.909 1.00 52.33 H new ATOM 0 HE3 MET A 53 -8.705 -1.016 -0.394 1.00 52.33 H new ATOM 893 N SER A 54 -11.594 -4.636 -2.877 1.00 33.25 N ATOM 894 CA SER A 54 -11.301 -4.736 -4.273 1.00 62.31 C ATOM 895 C SER A 54 -9.903 -4.186 -4.491 1.00 31.11 C ATOM 896 O SER A 54 -9.525 -3.218 -3.865 1.00 43.00 O ATOM 897 CB SER A 54 -12.304 -3.882 -5.031 1.00 61.40 C ATOM 898 OG SER A 54 -13.605 -4.105 -4.539 1.00 71.53 O ATOM 0 H SER A 54 -12.295 -3.935 -2.635 1.00 33.25 H new ATOM 0 HA SER A 54 -11.359 -5.768 -4.620 1.00 62.31 H new ATOM 0 HB2 SER A 54 -12.045 -2.828 -4.930 1.00 61.40 H new ATOM 0 HB3 SER A 54 -12.264 -4.119 -6.094 1.00 61.40 H new ATOM 0 HG SER A 54 -13.764 -3.530 -3.761 1.00 71.53 H new ATOM 904 N GLU A 55 -9.207 -4.717 -5.439 1.00 42.22 N ATOM 905 CA GLU A 55 -7.850 -4.358 -5.713 1.00 72.30 C ATOM 906 C GLU A 55 -7.847 -2.976 -6.351 1.00 41.03 C ATOM 907 O GLU A 55 -6.979 -2.144 -6.094 1.00 31.41 O ATOM 908 CB GLU A 55 -7.333 -5.412 -6.652 1.00 32.31 C ATOM 909 CG GLU A 55 -5.900 -5.350 -6.964 1.00 34.12 C ATOM 910 CD GLU A 55 -5.520 -6.436 -7.938 1.00 4.12 C ATOM 911 OE1 GLU A 55 -5.378 -7.606 -7.518 1.00 5.13 O ATOM 912 OE2 GLU A 55 -5.405 -6.142 -9.150 1.00 41.43 O ATOM 0 H GLU A 55 -9.574 -5.434 -6.065 1.00 42.22 H new ATOM 0 HA GLU A 55 -7.221 -4.312 -4.824 1.00 72.30 H new ATOM 0 HB2 GLU A 55 -7.549 -6.390 -6.223 1.00 32.31 H new ATOM 0 HB3 GLU A 55 -7.891 -5.344 -7.586 1.00 32.31 H new ATOM 0 HG2 GLU A 55 -5.656 -4.375 -7.386 1.00 34.12 H new ATOM 0 HG3 GLU A 55 -5.318 -5.456 -6.048 1.00 34.12 H new ATOM 919 N GLU A 56 -8.883 -2.726 -7.117 1.00 1.35 N ATOM 920 CA GLU A 56 -9.099 -1.462 -7.744 1.00 21.21 C ATOM 921 C GLU A 56 -9.401 -0.387 -6.677 1.00 43.32 C ATOM 922 O GLU A 56 -8.957 0.756 -6.804 1.00 73.40 O ATOM 923 CB GLU A 56 -10.265 -1.584 -8.722 1.00 5.23 C ATOM 924 CG GLU A 56 -10.506 -0.359 -9.578 1.00 22.44 C ATOM 925 CD GLU A 56 -9.347 -0.055 -10.500 1.00 61.51 C ATOM 926 OE1 GLU A 56 -9.107 -0.823 -11.441 1.00 25.14 O ATOM 927 OE2 GLU A 56 -8.668 0.969 -10.316 1.00 72.53 O ATOM 0 H GLU A 56 -9.608 -3.415 -7.320 1.00 1.35 H new ATOM 0 HA GLU A 56 -8.203 -1.163 -8.287 1.00 21.21 H new ATOM 0 HB2 GLU A 56 -10.085 -2.437 -9.376 1.00 5.23 H new ATOM 0 HB3 GLU A 56 -11.173 -1.800 -8.158 1.00 5.23 H new ATOM 0 HG2 GLU A 56 -11.408 -0.507 -10.172 1.00 22.44 H new ATOM 0 HG3 GLU A 56 -10.687 0.501 -8.933 1.00 22.44 H new ATOM 934 N GLU A 57 -10.092 -0.770 -5.582 1.00 53.13 N ATOM 935 CA GLU A 57 -10.462 0.205 -4.575 1.00 43.24 C ATOM 936 C GLU A 57 -9.264 0.479 -3.707 1.00 44.33 C ATOM 937 O GLU A 57 -9.044 1.598 -3.253 1.00 52.33 O ATOM 938 CB GLU A 57 -11.705 -0.229 -3.788 1.00 11.44 C ATOM 939 CG GLU A 57 -11.486 -1.057 -2.556 1.00 62.14 C ATOM 940 CD GLU A 57 -12.799 -1.496 -1.951 1.00 13.45 C ATOM 941 OE1 GLU A 57 -13.410 -0.727 -1.207 1.00 45.41 O ATOM 942 OE2 GLU A 57 -13.275 -2.619 -2.259 1.00 0.22 O ATOM 0 H GLU A 57 -10.391 -1.726 -5.389 1.00 53.13 H new ATOM 0 HA GLU A 57 -10.754 1.140 -5.053 1.00 43.24 H new ATOM 0 HB2 GLU A 57 -12.251 0.669 -3.498 1.00 11.44 H new ATOM 0 HB3 GLU A 57 -12.351 -0.792 -4.462 1.00 11.44 H new ATOM 0 HG2 GLU A 57 -10.887 -1.933 -2.805 1.00 62.14 H new ATOM 0 HG3 GLU A 57 -10.920 -0.481 -1.824 1.00 62.14 H new ATOM 949 N VAL A 58 -8.440 -0.549 -3.581 1.00 70.53 N ATOM 950 CA VAL A 58 -7.189 -0.485 -2.915 1.00 53.22 C ATOM 951 C VAL A 58 -6.302 0.517 -3.607 1.00 61.45 C ATOM 952 O VAL A 58 -5.834 1.478 -2.995 1.00 53.43 O ATOM 953 CB VAL A 58 -6.542 -1.876 -2.953 1.00 5.25 C ATOM 954 CG1 VAL A 58 -5.093 -1.862 -2.583 1.00 71.02 C ATOM 955 CG2 VAL A 58 -7.273 -2.751 -2.027 1.00 51.22 C ATOM 0 H VAL A 58 -8.649 -1.473 -3.959 1.00 70.53 H new ATOM 0 HA VAL A 58 -7.329 -0.174 -1.880 1.00 53.22 H new ATOM 0 HB VAL A 58 -6.598 -2.240 -3.979 1.00 5.25 H new ATOM 0 HG11 VAL A 58 -4.696 -2.876 -2.630 1.00 71.02 H new ATOM 0 HG12 VAL A 58 -4.546 -1.226 -3.279 1.00 71.02 H new ATOM 0 HG13 VAL A 58 -4.980 -1.474 -1.571 1.00 71.02 H new ATOM 0 HG21 VAL A 58 -6.828 -3.746 -2.039 1.00 51.22 H new ATOM 0 HG22 VAL A 58 -7.218 -2.341 -1.019 1.00 51.22 H new ATOM 0 HG23 VAL A 58 -8.316 -2.816 -2.335 1.00 51.22 H new ATOM 965 N PHE A 59 -6.133 0.316 -4.912 1.00 51.43 N ATOM 966 CA PHE A 59 -5.315 1.180 -5.718 1.00 25.31 C ATOM 967 C PHE A 59 -5.844 2.598 -5.660 1.00 13.43 C ATOM 968 O PHE A 59 -5.080 3.521 -5.542 1.00 5.12 O ATOM 969 CB PHE A 59 -5.248 0.682 -7.170 1.00 14.41 C ATOM 970 CG PHE A 59 -4.284 1.461 -8.040 1.00 4.05 C ATOM 971 CD1 PHE A 59 -2.938 1.126 -8.071 1.00 3.44 C ATOM 972 CD2 PHE A 59 -4.721 2.525 -8.817 1.00 51.25 C ATOM 973 CE1 PHE A 59 -2.050 1.835 -8.859 1.00 43.34 C ATOM 974 CE2 PHE A 59 -3.837 3.238 -9.604 1.00 13.33 C ATOM 975 CZ PHE A 59 -2.501 2.893 -9.626 1.00 34.03 C ATOM 0 H PHE A 59 -6.564 -0.452 -5.427 1.00 51.43 H new ATOM 0 HA PHE A 59 -4.301 1.167 -5.317 1.00 25.31 H new ATOM 0 HB2 PHE A 59 -4.956 -0.368 -7.171 1.00 14.41 H new ATOM 0 HB3 PHE A 59 -6.244 0.736 -7.609 1.00 14.41 H new ATOM 0 HD1 PHE A 59 -2.579 0.302 -7.473 1.00 3.44 H new ATOM 0 HD2 PHE A 59 -5.766 2.799 -8.806 1.00 51.25 H new ATOM 0 HE1 PHE A 59 -1.005 1.562 -8.875 1.00 43.34 H new ATOM 0 HE2 PHE A 59 -4.191 4.065 -10.202 1.00 13.33 H new ATOM 0 HZ PHE A 59 -1.809 3.449 -10.241 1.00 34.03 H new ATOM 985 N THR A 60 -7.159 2.746 -5.680 1.00 35.24 N ATOM 986 CA THR A 60 -7.794 3.992 -5.632 1.00 13.12 C ATOM 987 C THR A 60 -7.475 4.778 -4.346 1.00 50.15 C ATOM 988 O THR A 60 -7.052 5.934 -4.434 1.00 3.32 O ATOM 989 CB THR A 60 -9.292 3.783 -5.811 1.00 35.33 C ATOM 990 OG1 THR A 60 -9.560 3.375 -7.165 1.00 0.42 O ATOM 991 CG2 THR A 60 -10.047 5.013 -5.476 1.00 14.23 C ATOM 0 H THR A 60 -7.807 1.960 -5.732 1.00 35.24 H new ATOM 0 HA THR A 60 -7.410 4.608 -6.445 1.00 13.12 H new ATOM 0 HB THR A 60 -9.621 3.000 -5.128 1.00 35.33 H new ATOM 0 HG1 THR A 60 -9.259 2.451 -7.294 1.00 0.42 H new ATOM 0 HG21 THR A 60 -11.113 4.834 -5.613 1.00 14.23 H new ATOM 0 HG22 THR A 60 -9.855 5.286 -4.438 1.00 14.23 H new ATOM 0 HG23 THR A 60 -9.728 5.825 -6.130 1.00 14.23 H new ATOM 999 N GLU A 61 -7.630 4.152 -3.176 1.00 71.00 N ATOM 1000 CA GLU A 61 -7.382 4.845 -1.922 1.00 62.02 C ATOM 1001 C GLU A 61 -5.907 5.232 -1.798 1.00 64.33 C ATOM 1002 O GLU A 61 -5.578 6.317 -1.309 1.00 54.23 O ATOM 1003 CB GLU A 61 -7.847 4.011 -0.718 1.00 21.53 C ATOM 1004 CG GLU A 61 -9.344 3.789 -0.664 1.00 34.24 C ATOM 1005 CD GLU A 61 -9.811 3.053 0.577 1.00 33.44 C ATOM 1006 OE1 GLU A 61 -9.791 3.654 1.679 1.00 2.43 O ATOM 1007 OE2 GLU A 61 -10.225 1.880 0.491 1.00 74.53 O ATOM 0 H GLU A 61 -7.922 3.180 -3.077 1.00 71.00 H new ATOM 0 HA GLU A 61 -7.970 5.763 -1.925 1.00 62.02 H new ATOM 0 HB2 GLU A 61 -7.347 3.043 -0.745 1.00 21.53 H new ATOM 0 HB3 GLU A 61 -7.530 4.508 0.199 1.00 21.53 H new ATOM 0 HG2 GLU A 61 -9.847 4.755 -0.713 1.00 34.24 H new ATOM 0 HG3 GLU A 61 -9.650 3.226 -1.546 1.00 34.24 H new ATOM 1014 N VAL A 62 -5.036 4.363 -2.291 1.00 32.04 N ATOM 1015 CA VAL A 62 -3.595 4.605 -2.276 1.00 64.52 C ATOM 1016 C VAL A 62 -3.226 5.691 -3.290 1.00 43.02 C ATOM 1017 O VAL A 62 -2.452 6.598 -2.988 1.00 43.30 O ATOM 1018 CB VAL A 62 -2.808 3.307 -2.577 1.00 42.24 C ATOM 1019 CG1 VAL A 62 -1.316 3.544 -2.521 1.00 52.50 C ATOM 1020 CG2 VAL A 62 -3.191 2.233 -1.595 1.00 30.40 C ATOM 0 H VAL A 62 -5.304 3.473 -2.712 1.00 32.04 H new ATOM 0 HA VAL A 62 -3.322 4.945 -1.277 1.00 64.52 H new ATOM 0 HB VAL A 62 -3.064 2.985 -3.587 1.00 42.24 H new ATOM 0 HG11 VAL A 62 -0.791 2.613 -2.737 1.00 52.50 H new ATOM 0 HG12 VAL A 62 -1.039 4.296 -3.260 1.00 52.50 H new ATOM 0 HG13 VAL A 62 -1.040 3.894 -1.526 1.00 52.50 H new ATOM 0 HG21 VAL A 62 -2.632 1.323 -1.815 1.00 30.40 H new ATOM 0 HG22 VAL A 62 -2.960 2.566 -0.583 1.00 30.40 H new ATOM 0 HG23 VAL A 62 -4.259 2.031 -1.675 1.00 30.40 H new ATOM 1030 N ALA A 63 -3.813 5.613 -4.473 1.00 14.23 N ATOM 1031 CA ALA A 63 -3.598 6.609 -5.513 1.00 3.32 C ATOM 1032 C ALA A 63 -4.051 7.957 -5.027 1.00 2.13 C ATOM 1033 O ALA A 63 -3.404 8.954 -5.264 1.00 25.10 O ATOM 1034 CB ALA A 63 -4.320 6.232 -6.802 1.00 53.20 C ATOM 0 H ALA A 63 -4.449 4.862 -4.740 1.00 14.23 H new ATOM 0 HA ALA A 63 -2.532 6.649 -5.735 1.00 3.32 H new ATOM 0 HB1 ALA A 63 -4.139 6.996 -7.558 1.00 53.20 H new ATOM 0 HB2 ALA A 63 -3.948 5.272 -7.160 1.00 53.20 H new ATOM 0 HB3 ALA A 63 -5.391 6.157 -6.611 1.00 53.20 H new ATOM 1040 N ASN A 64 -5.158 7.957 -4.336 1.00 71.42 N ATOM 1041 CA ASN A 64 -5.737 9.139 -3.710 1.00 31.03 C ATOM 1042 C ASN A 64 -4.830 9.707 -2.635 1.00 72.33 C ATOM 1043 O ASN A 64 -4.736 10.922 -2.477 1.00 40.25 O ATOM 1044 CB ASN A 64 -7.101 8.765 -3.152 1.00 24.35 C ATOM 1045 CG ASN A 64 -7.525 9.487 -1.888 1.00 74.44 C ATOM 1046 OD1 ASN A 64 -8.089 10.581 -1.921 1.00 24.13 O ATOM 1047 ND2 ASN A 64 -7.305 8.840 -0.765 1.00 71.04 N ATOM 0 H ASN A 64 -5.708 7.112 -4.182 1.00 71.42 H new ATOM 0 HA ASN A 64 -5.850 9.926 -4.455 1.00 31.03 H new ATOM 0 HB2 ASN A 64 -7.850 8.952 -3.922 1.00 24.35 H new ATOM 0 HB3 ASN A 64 -7.109 7.693 -2.954 1.00 24.35 H new ATOM 0 HD21 ASN A 64 -7.605 9.243 0.123 1.00 71.04 H new ATOM 0 HD22 ASN A 64 -6.834 7.935 -0.781 1.00 71.04 H new ATOM 1054 N LEU A 65 -4.142 8.828 -1.934 1.00 45.12 N ATOM 1055 CA LEU A 65 -3.258 9.232 -0.877 1.00 34.20 C ATOM 1056 C LEU A 65 -2.082 10.006 -1.477 1.00 4.11 C ATOM 1057 O LEU A 65 -1.659 11.046 -0.964 1.00 42.53 O ATOM 1058 CB LEU A 65 -2.696 8.005 -0.162 1.00 75.53 C ATOM 1059 CG LEU A 65 -2.538 8.099 1.359 1.00 51.12 C ATOM 1060 CD1 LEU A 65 -2.540 9.512 1.849 1.00 2.11 C ATOM 1061 CD2 LEU A 65 -3.607 7.349 2.045 1.00 14.32 C ATOM 0 H LEU A 65 -4.184 7.820 -2.086 1.00 45.12 H new ATOM 0 HA LEU A 65 -3.814 9.850 -0.172 1.00 34.20 H new ATOM 0 HB2 LEU A 65 -3.344 7.157 -0.384 1.00 75.53 H new ATOM 0 HB3 LEU A 65 -1.719 7.780 -0.591 1.00 75.53 H new ATOM 0 HG LEU A 65 -1.568 7.660 1.593 1.00 51.12 H new ATOM 0 HD11 LEU A 65 -2.425 9.521 2.933 1.00 2.11 H new ATOM 0 HD12 LEU A 65 -1.714 10.057 1.392 1.00 2.11 H new ATOM 0 HD13 LEU A 65 -3.482 9.989 1.580 1.00 2.11 H new ATOM 0 HD21 LEU A 65 -3.474 7.430 3.124 1.00 14.32 H new ATOM 0 HD22 LEU A 65 -4.577 7.761 1.767 1.00 14.32 H new ATOM 0 HD23 LEU A 65 -3.561 6.300 1.752 1.00 14.32 H new ATOM 1073 N PHE A 66 -1.577 9.492 -2.575 1.00 33.30 N ATOM 1074 CA PHE A 66 -0.412 10.052 -3.217 1.00 21.33 C ATOM 1075 C PHE A 66 -0.780 10.584 -4.599 1.00 23.15 C ATOM 1076 O PHE A 66 -0.081 10.313 -5.581 1.00 2.44 O ATOM 1077 CB PHE A 66 0.660 8.955 -3.350 1.00 41.42 C ATOM 1078 CG PHE A 66 0.907 8.189 -2.070 1.00 50.22 C ATOM 1079 CD1 PHE A 66 1.382 8.832 -0.941 1.00 44.31 C ATOM 1080 CD2 PHE A 66 0.633 6.834 -1.993 1.00 20.55 C ATOM 1081 CE1 PHE A 66 1.584 8.140 0.236 1.00 42.30 C ATOM 1082 CE2 PHE A 66 0.830 6.137 -0.818 1.00 72.14 C ATOM 1083 CZ PHE A 66 1.306 6.793 0.297 1.00 11.24 C ATOM 0 H PHE A 66 -1.963 8.674 -3.047 1.00 33.30 H new ATOM 0 HA PHE A 66 -0.026 10.876 -2.617 1.00 21.33 H new ATOM 0 HB2 PHE A 66 0.357 8.255 -4.129 1.00 41.42 H new ATOM 0 HB3 PHE A 66 1.595 9.410 -3.677 1.00 41.42 H new ATOM 0 HD1 PHE A 66 1.598 9.889 -0.981 1.00 44.31 H new ATOM 0 HD2 PHE A 66 0.260 6.315 -2.864 1.00 20.55 H new ATOM 0 HE1 PHE A 66 1.960 8.655 1.108 1.00 42.30 H new ATOM 0 HE2 PHE A 66 0.612 5.080 -0.772 1.00 72.14 H new ATOM 0 HZ PHE A 66 1.461 6.251 1.218 1.00 11.24 H new ATOM 1093 N ARG A 67 -1.864 11.362 -4.675 1.00 74.14 N ATOM 1094 CA ARG A 67 -2.332 11.909 -5.958 1.00 74.31 C ATOM 1095 C ARG A 67 -1.259 12.799 -6.578 1.00 1.35 C ATOM 1096 O ARG A 67 -0.905 13.836 -6.014 1.00 53.02 O ATOM 1097 CB ARG A 67 -3.641 12.729 -5.807 1.00 44.35 C ATOM 1098 CG ARG A 67 -4.894 11.969 -5.442 1.00 54.33 C ATOM 1099 CD ARG A 67 -5.514 11.273 -6.661 1.00 42.13 C ATOM 1100 NE ARG A 67 -4.630 10.268 -7.249 1.00 73.44 N ATOM 1101 CZ ARG A 67 -4.658 9.837 -8.515 1.00 2.04 C ATOM 1102 NH1 ARG A 67 -5.554 10.305 -9.373 1.00 24.31 N ATOM 1103 NH2 ARG A 67 -3.777 8.940 -8.917 1.00 54.14 N ATOM 0 H ARG A 67 -2.432 11.627 -3.871 1.00 74.14 H new ATOM 0 HA ARG A 67 -2.537 11.057 -6.606 1.00 74.31 H new ATOM 0 HB2 ARG A 67 -3.475 13.492 -5.047 1.00 44.35 H new ATOM 0 HB3 ARG A 67 -3.824 13.250 -6.747 1.00 44.35 H new ATOM 0 HG2 ARG A 67 -4.659 11.226 -4.680 1.00 54.33 H new ATOM 0 HG3 ARG A 67 -5.621 12.654 -5.006 1.00 54.33 H new ATOM 0 HD2 ARG A 67 -6.450 10.799 -6.366 1.00 42.13 H new ATOM 0 HD3 ARG A 67 -5.759 12.021 -7.415 1.00 42.13 H new ATOM 0 HE ARG A 67 -3.926 9.857 -6.636 1.00 73.44 H new ATOM 0 HH11 ARG A 67 -6.234 11.003 -9.071 1.00 24.31 H new ATOM 0 HH12 ARG A 67 -5.564 9.967 -10.335 1.00 24.31 H new ATOM 0 HH21 ARG A 67 -3.081 8.580 -8.264 1.00 54.14 H new ATOM 0 HH22 ARG A 67 -3.792 8.607 -9.881 1.00 54.14 H new ATOM 1117 N GLY A 68 -0.732 12.383 -7.707 1.00 54.53 N ATOM 1118 CA GLY A 68 0.289 13.144 -8.375 1.00 65.41 C ATOM 1119 C GLY A 68 1.619 12.429 -8.361 1.00 1.22 C ATOM 1120 O GLY A 68 2.413 12.551 -9.302 1.00 73.45 O ATOM 0 H GLY A 68 -0.997 11.519 -8.180 1.00 54.53 H new ATOM 0 HA2 GLY A 68 -0.013 13.331 -9.406 1.00 65.41 H new ATOM 0 HA3 GLY A 68 0.393 14.116 -7.892 1.00 65.41 H new ATOM 1124 N GLN A 69 1.868 11.676 -7.306 1.00 0.21 N ATOM 1125 CA GLN A 69 3.102 10.947 -7.150 1.00 43.45 C ATOM 1126 C GLN A 69 2.963 9.560 -7.746 1.00 43.50 C ATOM 1127 O GLN A 69 2.726 8.584 -7.034 1.00 5.50 O ATOM 1128 CB GLN A 69 3.449 10.845 -5.677 1.00 12.02 C ATOM 1129 CG GLN A 69 3.446 12.184 -4.970 1.00 24.01 C ATOM 1130 CD GLN A 69 4.466 13.152 -5.530 1.00 1.05 C ATOM 1131 OE1 GLN A 69 5.521 12.756 -6.032 1.00 74.33 O ATOM 1132 NE2 GLN A 69 4.160 14.412 -5.469 1.00 52.00 N ATOM 0 H GLN A 69 1.214 11.556 -6.533 1.00 0.21 H new ATOM 0 HA GLN A 69 3.900 11.476 -7.671 1.00 43.45 H new ATOM 0 HB2 GLN A 69 2.736 10.181 -5.187 1.00 12.02 H new ATOM 0 HB3 GLN A 69 4.433 10.388 -5.573 1.00 12.02 H new ATOM 0 HG2 GLN A 69 2.453 12.627 -5.047 1.00 24.01 H new ATOM 0 HG3 GLN A 69 3.645 12.029 -3.910 1.00 24.01 H new ATOM 0 HE21 GLN A 69 3.278 14.703 -5.047 1.00 52.00 H new ATOM 0 HE22 GLN A 69 4.801 15.111 -5.844 1.00 52.00 H new ATOM 1141 N GLU A 70 3.093 9.481 -9.049 1.00 20.11 N ATOM 1142 CA GLU A 70 2.903 8.229 -9.774 1.00 54.14 C ATOM 1143 C GLU A 70 3.980 7.213 -9.453 1.00 12.35 C ATOM 1144 O GLU A 70 3.743 6.012 -9.544 1.00 74.44 O ATOM 1145 CB GLU A 70 2.830 8.492 -11.255 1.00 23.24 C ATOM 1146 CG GLU A 70 1.697 9.419 -11.618 1.00 61.42 C ATOM 1147 CD GLU A 70 1.693 9.771 -13.062 1.00 25.15 C ATOM 1148 OE1 GLU A 70 2.465 10.673 -13.467 1.00 34.24 O ATOM 1149 OE2 GLU A 70 0.913 9.184 -13.824 1.00 1.42 O ATOM 0 H GLU A 70 3.332 10.275 -9.643 1.00 20.11 H new ATOM 0 HA GLU A 70 1.957 7.797 -9.446 1.00 54.14 H new ATOM 0 HB2 GLU A 70 3.772 8.925 -11.592 1.00 23.24 H new ATOM 0 HB3 GLU A 70 2.706 7.547 -11.784 1.00 23.24 H new ATOM 0 HG2 GLU A 70 0.749 8.948 -11.359 1.00 61.42 H new ATOM 0 HG3 GLU A 70 1.773 10.330 -11.025 1.00 61.42 H new ATOM 1156 N ASP A 71 5.147 7.700 -9.057 1.00 72.23 N ATOM 1157 CA ASP A 71 6.265 6.836 -8.654 1.00 43.23 C ATOM 1158 C ASP A 71 5.832 5.874 -7.570 1.00 71.22 C ATOM 1159 O ASP A 71 5.913 4.659 -7.737 1.00 3.45 O ATOM 1160 CB ASP A 71 7.444 7.668 -8.148 1.00 21.41 C ATOM 1161 CG ASP A 71 8.590 6.810 -7.646 1.00 14.21 C ATOM 1162 OD1 ASP A 71 9.397 6.340 -8.475 1.00 25.40 O ATOM 1163 OD2 ASP A 71 8.710 6.610 -6.425 1.00 60.34 O ATOM 0 H ASP A 71 5.353 8.698 -9.003 1.00 72.23 H new ATOM 0 HA ASP A 71 6.579 6.272 -9.533 1.00 43.23 H new ATOM 0 HB2 ASP A 71 7.802 8.311 -8.952 1.00 21.41 H new ATOM 0 HB3 ASP A 71 7.105 8.321 -7.344 1.00 21.41 H new ATOM 1168 N LEU A 72 5.296 6.434 -6.506 1.00 55.33 N ATOM 1169 CA LEU A 72 4.841 5.675 -5.364 1.00 34.03 C ATOM 1170 C LEU A 72 3.741 4.706 -5.764 1.00 3.14 C ATOM 1171 O LEU A 72 3.729 3.560 -5.339 1.00 11.22 O ATOM 1172 CB LEU A 72 4.343 6.630 -4.270 1.00 12.24 C ATOM 1173 CG LEU A 72 5.394 7.572 -3.665 1.00 41.23 C ATOM 1174 CD1 LEU A 72 4.751 8.514 -2.666 1.00 43.53 C ATOM 1175 CD2 LEU A 72 6.510 6.779 -2.997 1.00 40.41 C ATOM 0 H LEU A 72 5.163 7.441 -6.410 1.00 55.33 H new ATOM 0 HA LEU A 72 5.677 5.094 -4.975 1.00 34.03 H new ATOM 0 HB2 LEU A 72 3.537 7.236 -4.684 1.00 12.24 H new ATOM 0 HB3 LEU A 72 3.912 6.035 -3.465 1.00 12.24 H new ATOM 0 HG LEU A 72 5.826 8.161 -4.474 1.00 41.23 H new ATOM 0 HD11 LEU A 72 5.511 9.174 -2.247 1.00 43.53 H new ATOM 0 HD12 LEU A 72 3.988 9.110 -3.167 1.00 43.53 H new ATOM 0 HD13 LEU A 72 4.291 7.936 -1.865 1.00 43.53 H new ATOM 0 HD21 LEU A 72 7.243 7.467 -2.575 1.00 40.41 H new ATOM 0 HD22 LEU A 72 6.092 6.162 -2.202 1.00 40.41 H new ATOM 0 HD23 LEU A 72 6.995 6.140 -3.735 1.00 40.41 H new ATOM 1187 N LEU A 73 2.879 5.150 -6.646 1.00 50.13 N ATOM 1188 CA LEU A 73 1.733 4.362 -7.066 1.00 44.04 C ATOM 1189 C LEU A 73 2.201 3.137 -7.870 1.00 51.11 C ATOM 1190 O LEU A 73 1.685 2.022 -7.704 1.00 4.13 O ATOM 1191 CB LEU A 73 0.776 5.242 -7.889 1.00 62.41 C ATOM 1192 CG LEU A 73 0.390 6.594 -7.237 1.00 70.52 C ATOM 1193 CD1 LEU A 73 -0.572 7.391 -8.080 1.00 74.34 C ATOM 1194 CD2 LEU A 73 -0.162 6.418 -5.842 1.00 2.24 C ATOM 0 H LEU A 73 2.946 6.063 -7.095 1.00 50.13 H new ATOM 0 HA LEU A 73 1.196 3.999 -6.190 1.00 44.04 H new ATOM 0 HB2 LEU A 73 1.236 5.443 -8.857 1.00 62.41 H new ATOM 0 HB3 LEU A 73 -0.136 4.677 -8.081 1.00 62.41 H new ATOM 0 HG LEU A 73 1.319 7.160 -7.167 1.00 70.52 H new ATOM 0 HD11 LEU A 73 -0.808 8.328 -7.575 1.00 74.34 H new ATOM 0 HD12 LEU A 73 -0.117 7.604 -9.047 1.00 74.34 H new ATOM 0 HD13 LEU A 73 -1.487 6.818 -8.228 1.00 74.34 H new ATOM 0 HD21 LEU A 73 -0.418 7.393 -5.426 1.00 2.24 H new ATOM 0 HD22 LEU A 73 -1.055 5.794 -5.880 1.00 2.24 H new ATOM 0 HD23 LEU A 73 0.588 5.940 -5.211 1.00 2.24 H new ATOM 1206 N SER A 74 3.215 3.349 -8.691 1.00 52.00 N ATOM 1207 CA SER A 74 3.794 2.304 -9.496 1.00 50.31 C ATOM 1208 C SER A 74 4.550 1.303 -8.611 1.00 74.04 C ATOM 1209 O SER A 74 4.385 0.080 -8.753 1.00 1.21 O ATOM 1210 CB SER A 74 4.727 2.919 -10.550 1.00 63.40 C ATOM 1211 OG SER A 74 5.284 1.937 -11.407 1.00 34.44 O ATOM 0 H SER A 74 3.658 4.260 -8.814 1.00 52.00 H new ATOM 0 HA SER A 74 2.998 1.764 -10.008 1.00 50.31 H new ATOM 0 HB2 SER A 74 4.173 3.646 -11.144 1.00 63.40 H new ATOM 0 HB3 SER A 74 5.530 3.461 -10.051 1.00 63.40 H new ATOM 0 HG SER A 74 5.870 2.370 -12.063 1.00 34.44 H new ATOM 1217 N GLU A 75 5.363 1.813 -7.688 1.00 2.44 N ATOM 1218 CA GLU A 75 6.145 0.964 -6.786 1.00 13.51 C ATOM 1219 C GLU A 75 5.213 0.118 -5.909 1.00 4.31 C ATOM 1220 O GLU A 75 5.472 -1.075 -5.665 1.00 24.54 O ATOM 1221 CB GLU A 75 7.062 1.813 -5.900 1.00 52.12 C ATOM 1222 CG GLU A 75 8.040 2.707 -6.660 1.00 63.20 C ATOM 1223 CD GLU A 75 9.000 1.947 -7.544 1.00 23.01 C ATOM 1224 OE1 GLU A 75 9.936 1.304 -7.001 1.00 50.44 O ATOM 1225 OE2 GLU A 75 8.879 2.019 -8.793 1.00 13.35 O ATOM 0 H GLU A 75 5.499 2.814 -7.543 1.00 2.44 H new ATOM 0 HA GLU A 75 6.762 0.302 -7.393 1.00 13.51 H new ATOM 0 HB2 GLU A 75 6.444 2.439 -5.257 1.00 52.12 H new ATOM 0 HB3 GLU A 75 7.630 1.149 -5.248 1.00 52.12 H new ATOM 0 HG2 GLU A 75 7.475 3.409 -7.273 1.00 63.20 H new ATOM 0 HG3 GLU A 75 8.611 3.297 -5.943 1.00 63.20 H new ATOM 1232 N PHE A 76 4.118 0.739 -5.471 1.00 22.33 N ATOM 1233 CA PHE A 76 3.104 0.094 -4.647 1.00 2.12 C ATOM 1234 C PHE A 76 2.518 -1.132 -5.340 1.00 24.24 C ATOM 1235 O PHE A 76 2.545 -2.236 -4.788 1.00 12.22 O ATOM 1236 CB PHE A 76 1.980 1.092 -4.302 1.00 75.22 C ATOM 1237 CG PHE A 76 0.834 0.490 -3.538 1.00 43.43 C ATOM 1238 CD1 PHE A 76 0.936 0.265 -2.181 1.00 32.40 C ATOM 1239 CD2 PHE A 76 -0.347 0.145 -4.186 1.00 35.15 C ATOM 1240 CE1 PHE A 76 -0.108 -0.294 -1.478 1.00 14.33 C ATOM 1241 CE2 PHE A 76 -1.395 -0.413 -3.486 1.00 63.32 C ATOM 1242 CZ PHE A 76 -1.272 -0.634 -2.128 1.00 32.21 C ATOM 0 H PHE A 76 3.911 1.715 -5.682 1.00 22.33 H new ATOM 0 HA PHE A 76 3.586 -0.237 -3.727 1.00 2.12 H new ATOM 0 HB2 PHE A 76 2.402 1.909 -3.717 1.00 75.22 H new ATOM 0 HB3 PHE A 76 1.598 1.525 -5.226 1.00 75.22 H new ATOM 0 HD1 PHE A 76 1.846 0.531 -1.663 1.00 32.40 H new ATOM 0 HD2 PHE A 76 -0.444 0.316 -5.248 1.00 35.15 H new ATOM 0 HE1 PHE A 76 -0.013 -0.466 -0.416 1.00 14.33 H new ATOM 0 HE2 PHE A 76 -2.309 -0.676 -3.997 1.00 63.32 H new ATOM 0 HZ PHE A 76 -2.090 -1.074 -1.576 1.00 32.21 H new ATOM 1252 N GLY A 77 2.026 -0.940 -6.559 1.00 32.25 N ATOM 1253 CA GLY A 77 1.369 -2.018 -7.281 1.00 52.00 C ATOM 1254 C GLY A 77 2.292 -3.175 -7.588 1.00 74.11 C ATOM 1255 O GLY A 77 1.860 -4.315 -7.672 1.00 52.34 O ATOM 0 H GLY A 77 2.070 -0.054 -7.063 1.00 32.25 H new ATOM 0 HA2 GLY A 77 0.526 -2.380 -6.693 1.00 52.00 H new ATOM 0 HA3 GLY A 77 0.963 -1.628 -8.214 1.00 52.00 H new ATOM 1259 N GLN A 78 3.564 -2.880 -7.733 1.00 22.41 N ATOM 1260 CA GLN A 78 4.556 -3.900 -8.004 1.00 11.55 C ATOM 1261 C GLN A 78 4.866 -4.712 -6.762 1.00 3.31 C ATOM 1262 O GLN A 78 5.158 -5.899 -6.851 1.00 3.14 O ATOM 1263 CB GLN A 78 5.816 -3.290 -8.580 1.00 51.01 C ATOM 1264 CG GLN A 78 5.609 -2.673 -9.943 1.00 24.50 C ATOM 1265 CD GLN A 78 6.826 -1.944 -10.412 1.00 35.24 C ATOM 1266 OE1 GLN A 78 7.702 -2.510 -11.065 1.00 62.43 O ATOM 1267 NE2 GLN A 78 6.901 -0.696 -10.091 1.00 73.31 N ATOM 0 H GLN A 78 3.940 -1.934 -7.667 1.00 22.41 H new ATOM 0 HA GLN A 78 4.138 -4.579 -8.747 1.00 11.55 H new ATOM 0 HB2 GLN A 78 6.188 -2.527 -7.896 1.00 51.01 H new ATOM 0 HB3 GLN A 78 6.585 -4.059 -8.649 1.00 51.01 H new ATOM 0 HG2 GLN A 78 5.353 -3.453 -10.660 1.00 24.50 H new ATOM 0 HG3 GLN A 78 4.765 -1.985 -9.906 1.00 24.50 H new ATOM 0 HE21 GLN A 78 6.154 -0.263 -9.548 1.00 73.31 H new ATOM 0 HE22 GLN A 78 7.708 -0.143 -10.380 1.00 73.31 H new ATOM 1276 N PHE A 79 4.804 -4.077 -5.609 1.00 45.31 N ATOM 1277 CA PHE A 79 5.028 -4.781 -4.362 1.00 13.34 C ATOM 1278 C PHE A 79 3.817 -5.656 -4.029 1.00 53.43 C ATOM 1279 O PHE A 79 3.954 -6.744 -3.457 1.00 71.11 O ATOM 1280 CB PHE A 79 5.339 -3.800 -3.214 1.00 42.44 C ATOM 1281 CG PHE A 79 5.653 -4.478 -1.904 1.00 45.12 C ATOM 1282 CD1 PHE A 79 6.835 -5.187 -1.744 1.00 13.33 C ATOM 1283 CD2 PHE A 79 4.771 -4.407 -0.838 1.00 45.12 C ATOM 1284 CE1 PHE A 79 7.128 -5.814 -0.547 1.00 63.23 C ATOM 1285 CE2 PHE A 79 5.059 -5.030 0.361 1.00 22.42 C ATOM 1286 CZ PHE A 79 6.239 -5.735 0.507 1.00 43.44 C ATOM 0 H PHE A 79 4.602 -3.082 -5.509 1.00 45.31 H new ATOM 0 HA PHE A 79 5.899 -5.425 -4.481 1.00 13.34 H new ATOM 0 HB2 PHE A 79 6.185 -3.175 -3.501 1.00 42.44 H new ATOM 0 HB3 PHE A 79 4.486 -3.137 -3.074 1.00 42.44 H new ATOM 0 HD1 PHE A 79 7.535 -5.250 -2.564 1.00 13.33 H new ATOM 0 HD2 PHE A 79 3.847 -3.858 -0.946 1.00 45.12 H new ATOM 0 HE1 PHE A 79 8.050 -6.365 -0.436 1.00 63.23 H new ATOM 0 HE2 PHE A 79 4.362 -4.966 1.184 1.00 22.42 H new ATOM 0 HZ PHE A 79 6.465 -6.223 1.443 1.00 43.44 H new ATOM 1296 N LEU A 80 2.647 -5.181 -4.401 1.00 22.52 N ATOM 1297 CA LEU A 80 1.417 -5.892 -4.140 1.00 44.50 C ATOM 1298 C LEU A 80 1.055 -6.903 -5.209 1.00 21.43 C ATOM 1299 O LEU A 80 1.645 -6.927 -6.290 1.00 13.13 O ATOM 1300 CB LEU A 80 0.238 -4.952 -3.908 1.00 52.55 C ATOM 1301 CG LEU A 80 0.005 -4.559 -2.472 1.00 23.03 C ATOM 1302 CD1 LEU A 80 0.982 -3.517 -2.021 1.00 52.32 C ATOM 1303 CD2 LEU A 80 -1.431 -4.159 -2.259 1.00 5.23 C ATOM 0 H LEU A 80 2.524 -4.295 -4.891 1.00 22.52 H new ATOM 0 HA LEU A 80 1.617 -6.444 -3.222 1.00 44.50 H new ATOM 0 HB2 LEU A 80 0.394 -4.047 -4.495 1.00 52.55 H new ATOM 0 HB3 LEU A 80 -0.666 -5.427 -4.289 1.00 52.55 H new ATOM 0 HG LEU A 80 0.187 -5.428 -1.839 1.00 23.03 H new ATOM 0 HD11 LEU A 80 0.784 -3.258 -0.981 1.00 52.32 H new ATOM 0 HD12 LEU A 80 1.996 -3.906 -2.111 1.00 52.32 H new ATOM 0 HD13 LEU A 80 0.878 -2.628 -2.642 1.00 52.32 H new ATOM 0 HD21 LEU A 80 -1.580 -3.879 -1.216 1.00 5.23 H new ATOM 0 HD22 LEU A 80 -1.672 -3.311 -2.901 1.00 5.23 H new ATOM 0 HD23 LEU A 80 -2.083 -4.997 -2.506 1.00 5.23 H new ATOM 1315 N PRO A 81 0.137 -7.821 -4.867 1.00 3.43 N ATOM 1316 CA PRO A 81 -0.435 -8.764 -5.819 1.00 31.24 C ATOM 1317 C PRO A 81 -1.506 -8.105 -6.710 1.00 64.44 C ATOM 1318 O PRO A 81 -2.406 -7.412 -6.217 1.00 22.25 O ATOM 1319 CB PRO A 81 -1.097 -9.814 -4.914 1.00 74.13 C ATOM 1320 CG PRO A 81 -1.442 -9.071 -3.665 1.00 35.34 C ATOM 1321 CD PRO A 81 -0.366 -8.059 -3.484 1.00 0.52 C ATOM 0 HA PRO A 81 0.316 -9.165 -6.500 1.00 31.24 H new ATOM 0 HB2 PRO A 81 -1.986 -10.237 -5.382 1.00 74.13 H new ATOM 0 HB3 PRO A 81 -0.420 -10.643 -4.708 1.00 74.13 H new ATOM 0 HG2 PRO A 81 -2.418 -8.593 -3.751 1.00 35.34 H new ATOM 0 HG3 PRO A 81 -1.492 -9.745 -2.810 1.00 35.34 H new ATOM 0 HD2 PRO A 81 -0.750 -7.143 -3.035 1.00 0.52 H new ATOM 0 HD3 PRO A 81 0.424 -8.428 -2.829 1.00 0.52 H new ATOM 1329 N GLU A 82 -1.395 -8.309 -8.002 1.00 14.30 N ATOM 1330 CA GLU A 82 -2.392 -7.839 -8.943 1.00 50.23 C ATOM 1331 C GLU A 82 -3.163 -9.036 -9.469 1.00 22.20 C ATOM 1332 O GLU A 82 -3.264 -9.264 -10.682 1.00 4.13 O ATOM 1333 CB GLU A 82 -1.766 -7.070 -10.102 1.00 54.10 C ATOM 1334 CG GLU A 82 -1.097 -5.768 -9.722 1.00 33.02 C ATOM 1335 CD GLU A 82 -0.710 -4.979 -10.941 1.00 32.45 C ATOM 1336 OE1 GLU A 82 -1.594 -4.328 -11.553 1.00 61.44 O ATOM 1337 OE2 GLU A 82 0.483 -4.982 -11.322 1.00 43.15 O ATOM 0 H GLU A 82 -0.614 -8.804 -8.432 1.00 14.30 H new ATOM 0 HA GLU A 82 -3.060 -7.150 -8.426 1.00 50.23 H new ATOM 0 HB2 GLU A 82 -1.030 -7.711 -10.587 1.00 54.10 H new ATOM 0 HB3 GLU A 82 -2.541 -6.861 -10.839 1.00 54.10 H new ATOM 0 HG2 GLU A 82 -1.771 -5.177 -9.102 1.00 33.02 H new ATOM 0 HG3 GLU A 82 -0.210 -5.973 -9.122 1.00 33.02 H new ATOM 1344 N ALA A 83 -3.698 -9.794 -8.549 1.00 43.53 N ATOM 1345 CA ALA A 83 -4.395 -11.024 -8.852 1.00 64.21 C ATOM 1346 C ALA A 83 -5.765 -10.779 -9.470 1.00 21.40 C ATOM 1347 O ALA A 83 -6.315 -11.658 -10.156 1.00 21.50 O ATOM 1348 CB ALA A 83 -4.519 -11.883 -7.604 1.00 42.31 C ATOM 0 H ALA A 83 -3.664 -9.575 -7.553 1.00 43.53 H new ATOM 0 HA ALA A 83 -3.801 -11.555 -9.595 1.00 64.21 H new ATOM 0 HB1 ALA A 83 -5.046 -12.805 -7.848 1.00 42.31 H new ATOM 0 HB2 ALA A 83 -3.525 -12.122 -7.227 1.00 42.31 H new ATOM 0 HB3 ALA A 83 -5.075 -11.338 -6.841 1.00 42.31 H new ATOM 1354 N LYS A 84 -6.325 -9.611 -9.231 1.00 5.53 N ATOM 1355 CA LYS A 84 -7.649 -9.305 -9.723 1.00 70.54 C ATOM 1356 C LYS A 84 -7.648 -8.736 -11.130 1.00 30.21 C ATOM 1357 O LYS A 84 -8.702 -8.663 -11.768 1.00 21.13 O ATOM 1358 CB LYS A 84 -8.428 -8.434 -8.748 1.00 4.25 C ATOM 1359 CG LYS A 84 -8.502 -9.056 -7.370 1.00 73.51 C ATOM 1360 CD LYS A 84 -9.499 -8.357 -6.475 1.00 64.41 C ATOM 1361 CE LYS A 84 -9.479 -8.964 -5.089 1.00 31.34 C ATOM 1362 NZ LYS A 84 -10.481 -8.360 -4.195 1.00 43.15 N ATOM 0 H LYS A 84 -5.884 -8.860 -8.700 1.00 5.53 H new ATOM 0 HA LYS A 84 -8.174 -10.258 -9.793 1.00 70.54 H new ATOM 0 HB2 LYS A 84 -7.955 -7.454 -8.679 1.00 4.25 H new ATOM 0 HB3 LYS A 84 -9.437 -8.275 -9.129 1.00 4.25 H new ATOM 0 HG2 LYS A 84 -8.776 -10.107 -7.463 1.00 73.51 H new ATOM 0 HG3 LYS A 84 -7.516 -9.023 -6.906 1.00 73.51 H new ATOM 0 HD2 LYS A 84 -9.263 -7.294 -6.417 1.00 64.41 H new ATOM 0 HD3 LYS A 84 -10.499 -8.439 -6.900 1.00 64.41 H new ATOM 0 HE2 LYS A 84 -9.662 -10.036 -5.163 1.00 31.34 H new ATOM 0 HE3 LYS A 84 -8.487 -8.839 -4.655 1.00 31.34 H new ATOM 0 HZ1 LYS A 84 -10.682 -9.010 -3.409 1.00 43.15 H new ATOM 0 HZ2 LYS A 84 -10.114 -7.463 -3.817 1.00 43.15 H new ATOM 0 HZ3 LYS A 84 -11.356 -8.179 -4.727 1.00 43.15 H new ATOM 1376 N ARG A 85 -6.486 -8.299 -11.596 1.00 54.53 N ATOM 1377 CA ARG A 85 -6.336 -7.788 -12.970 1.00 2.04 C ATOM 1378 C ARG A 85 -6.852 -8.786 -14.010 1.00 22.11 C ATOM 1379 O ARG A 85 -6.509 -9.984 -13.955 1.00 14.45 O ATOM 1380 CB ARG A 85 -4.889 -7.499 -13.268 1.00 63.53 C ATOM 1381 CG ARG A 85 -4.313 -6.345 -12.504 1.00 73.53 C ATOM 1382 CD ARG A 85 -4.970 -5.034 -12.867 1.00 22.21 C ATOM 1383 NE ARG A 85 -4.300 -3.913 -12.216 1.00 73.13 N ATOM 1384 CZ ARG A 85 -4.832 -2.710 -12.004 1.00 15.12 C ATOM 1385 NH1 ARG A 85 -6.121 -2.472 -12.280 1.00 32.11 N ATOM 1386 NH2 ARG A 85 -4.089 -1.755 -11.481 1.00 25.34 N ATOM 0 H ARG A 85 -5.626 -8.284 -11.048 1.00 54.53 H new ATOM 0 HA ARG A 85 -6.928 -6.875 -13.032 1.00 2.04 H new ATOM 0 HB2 ARG A 85 -4.302 -8.391 -13.051 1.00 63.53 H new ATOM 0 HB3 ARG A 85 -4.784 -7.300 -14.335 1.00 63.53 H new ATOM 0 HG2 ARG A 85 -4.430 -6.524 -11.435 1.00 73.53 H new ATOM 0 HG3 ARG A 85 -3.243 -6.280 -12.700 1.00 73.53 H new ATOM 0 HD2 ARG A 85 -4.945 -4.898 -13.948 1.00 22.21 H new ATOM 0 HD3 ARG A 85 -6.019 -5.056 -12.572 1.00 22.21 H new ATOM 0 HE ARG A 85 -3.343 -4.063 -11.896 1.00 73.13 H new ATOM 0 HH11 ARG A 85 -6.708 -3.216 -12.657 1.00 32.11 H new ATOM 0 HH12 ARG A 85 -6.516 -1.546 -12.113 1.00 32.11 H new ATOM 0 HH21 ARG A 85 -3.115 -1.940 -11.242 1.00 25.34 H new ATOM 0 HH22 ARG A 85 -4.488 -0.831 -11.315 1.00 25.34 H new TER 1400 ARG A 85