USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 777 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 22 THR OG1 : rot 180:sc= -0.162 USER MOD Set 1.2: A 23 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 21 THR OG1 : rot 134:sc= 1.15 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= 0.289 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 65:sc= 0.517 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -54:sc= 0.762 USER MOD Single : A 9 SER OG : rot -57:sc= 0.425 USER MOD Single : A 13 GLN : amide:sc= -0.0669 K(o=-0.067,f=-1.8!) USER MOD Single : A 14 ASN : amide:sc= -0.074 X(o=-0.074,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -1.53 X(o=-1.5,f=-1.8) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 16:sc= 0.272 USER MOD Single : A 38 ASN : amide:sc= -0.0833 K(o=-0.083,f=-1.1) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 90:sc= -0.0159 USER MOD Single : A 45 THR OG1 : rot 143:sc= 1.05 USER MOD Single : A 52 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.39) USER MOD Single : A 53 SER OG : rot 93:sc= 0.015 USER MOD Single : A 54 GLN : amide:sc= -0.0869 K(o=-0.087,f=-1.8!) USER MOD Single : A 55 GLN : amide:sc=-0.00869 X(o=-0.0087,f=-0.022) USER MOD Single : A 58 GLN : amide:sc= -0.743 K(o=-0.74,f=-4!) USER MOD Single : A 59 ASN : amide:sc= -4.84! C(o=-4.8!,f=-5.8!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0071 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -118:sc= -1.09 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 120:sc= 1.02 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 83:sc= -2.14 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 74:sc= -0.554 USER MOD Single : A 95 SER OG : rot 175:sc= 1.2 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 100:sc= -1.16 USER MOD Single : A 100 THR OG1 : rot -127:sc= -0.342! USER MOD Single : A 101 MET CE :methyl -147:sc= -2.95 (180deg=-4.32!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.412 -11.477 -11.636 1.00 0.00 N ATOM 2 CA GLY A 1 10.288 -12.752 -10.953 1.00 0.00 C ATOM 3 C GLY A 1 9.888 -12.593 -9.499 1.00 0.00 C ATOM 4 O GLY A 1 10.744 -12.464 -8.624 1.00 0.00 O ATOM 0 H1 GLY A 1 10.687 -11.639 -12.626 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.500 -10.978 -11.607 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.138 -10.900 -11.165 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.547 -13.365 -11.466 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.237 -13.285 -11.010 1.00 0.00 H new ATOM 8 N SER A 2 8.584 -12.601 -9.241 1.00 0.00 N ATOM 9 CA SER A 2 8.073 -12.452 -7.884 1.00 0.00 C ATOM 10 C SER A 2 7.828 -13.814 -7.243 1.00 0.00 C ATOM 11 O SER A 2 7.614 -14.809 -7.935 1.00 0.00 O ATOM 12 CB SER A 2 6.777 -11.639 -7.892 1.00 0.00 C ATOM 13 OG SER A 2 6.941 -10.423 -8.600 1.00 0.00 O ATOM 0 H SER A 2 7.863 -12.709 -9.954 1.00 0.00 H new ATOM 0 HA SER A 2 8.823 -11.923 -7.296 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.980 -12.225 -8.349 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.470 -11.428 -6.868 1.00 0.00 H new ATOM 0 HG SER A 2 6.098 -9.923 -8.592 1.00 0.00 H new ATOM 19 N SER A 3 7.863 -13.851 -5.914 1.00 0.00 N ATOM 20 CA SER A 3 7.649 -15.091 -5.178 1.00 0.00 C ATOM 21 C SER A 3 6.159 -15.358 -4.985 1.00 0.00 C ATOM 22 O SER A 3 5.722 -15.747 -3.903 1.00 0.00 O ATOM 23 CB SER A 3 8.348 -15.028 -3.818 1.00 0.00 C ATOM 24 OG SER A 3 7.649 -14.179 -2.924 1.00 0.00 O ATOM 0 H SER A 3 8.038 -13.036 -5.326 1.00 0.00 H new ATOM 0 HA SER A 3 8.074 -15.909 -5.760 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.417 -16.030 -3.394 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.368 -14.665 -3.946 1.00 0.00 H new ATOM 0 HG SER A 3 6.766 -14.560 -2.734 1.00 0.00 H new ATOM 30 N GLY A 4 5.384 -15.147 -6.044 1.00 0.00 N ATOM 31 CA GLY A 4 3.952 -15.369 -5.972 1.00 0.00 C ATOM 32 C GLY A 4 3.414 -16.088 -7.194 1.00 0.00 C ATOM 33 O GLY A 4 3.256 -15.487 -8.256 1.00 0.00 O ATOM 0 H GLY A 4 5.723 -14.826 -6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.722 -15.953 -5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.444 -14.411 -5.865 1.00 0.00 H new ATOM 37 N SER A 5 3.134 -17.379 -7.044 1.00 0.00 N ATOM 38 CA SER A 5 2.617 -18.181 -8.146 1.00 0.00 C ATOM 39 C SER A 5 1.147 -18.525 -7.924 1.00 0.00 C ATOM 40 O SER A 5 0.334 -18.447 -8.845 1.00 0.00 O ATOM 41 CB SER A 5 3.435 -19.465 -8.297 1.00 0.00 C ATOM 42 OG SER A 5 3.066 -20.169 -9.471 1.00 0.00 O ATOM 0 H SER A 5 3.257 -17.891 -6.170 1.00 0.00 H new ATOM 0 HA SER A 5 2.701 -17.595 -9.061 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.497 -19.221 -8.334 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.284 -20.101 -7.425 1.00 0.00 H new ATOM 0 HG SER A 5 3.604 -20.985 -9.546 1.00 0.00 H new ATOM 48 N SER A 6 0.814 -18.905 -6.695 1.00 0.00 N ATOM 49 CA SER A 6 -0.557 -19.265 -6.351 1.00 0.00 C ATOM 50 C SER A 6 -1.117 -18.320 -5.292 1.00 0.00 C ATOM 51 O SER A 6 -1.762 -18.752 -4.338 1.00 0.00 O ATOM 52 CB SER A 6 -0.617 -20.708 -5.846 1.00 0.00 C ATOM 53 OG SER A 6 -1.950 -21.091 -5.554 1.00 0.00 O ATOM 0 H SER A 6 1.474 -18.972 -5.921 1.00 0.00 H new ATOM 0 HA SER A 6 -1.166 -19.177 -7.251 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.199 -21.377 -6.598 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.002 -20.810 -4.952 1.00 0.00 H new ATOM 0 HG SER A 6 -2.347 -20.446 -4.932 1.00 0.00 H new ATOM 59 N GLY A 7 -0.866 -17.026 -5.469 1.00 0.00 N ATOM 60 CA GLY A 7 -1.351 -16.040 -4.522 1.00 0.00 C ATOM 61 C GLY A 7 -2.768 -15.593 -4.825 1.00 0.00 C ATOM 62 O GLY A 7 -3.478 -16.207 -5.622 1.00 0.00 O ATOM 0 H GLY A 7 -0.335 -16.644 -6.252 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.312 -16.457 -3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.690 -15.174 -4.533 1.00 0.00 H new ATOM 66 N PRO A 8 -3.199 -14.500 -4.178 1.00 0.00 N ATOM 67 CA PRO A 8 -4.544 -13.949 -4.365 1.00 0.00 C ATOM 68 C PRO A 8 -4.728 -13.324 -5.744 1.00 0.00 C ATOM 69 O PRO A 8 -3.779 -12.803 -6.332 1.00 0.00 O ATOM 70 CB PRO A 8 -4.643 -12.877 -3.276 1.00 0.00 C ATOM 71 CG PRO A 8 -3.233 -12.480 -3.007 1.00 0.00 C ATOM 72 CD PRO A 8 -2.406 -13.719 -3.214 1.00 0.00 C ATOM 0 HA PRO A 8 -5.313 -14.719 -4.296 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.237 -12.026 -3.610 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.123 -13.267 -2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.917 -11.683 -3.680 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.121 -12.102 -1.991 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.417 -13.481 -3.606 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.257 -14.263 -2.281 1.00 0.00 H new ATOM 80 N SER A 9 -5.953 -13.380 -6.256 1.00 0.00 N ATOM 81 CA SER A 9 -6.260 -12.823 -7.568 1.00 0.00 C ATOM 82 C SER A 9 -7.127 -11.574 -7.438 1.00 0.00 C ATOM 83 O SER A 9 -8.124 -11.421 -8.142 1.00 0.00 O ATOM 84 CB SER A 9 -6.972 -13.864 -8.434 1.00 0.00 C ATOM 85 OG SER A 9 -7.138 -13.396 -9.761 1.00 0.00 O ATOM 0 H SER A 9 -6.750 -13.806 -5.782 1.00 0.00 H new ATOM 0 HA SER A 9 -5.321 -12.545 -8.046 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.397 -14.790 -8.441 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.946 -14.096 -8.002 1.00 0.00 H new ATOM 0 HG SER A 9 -7.640 -12.554 -9.751 1.00 0.00 H new ATOM 91 N GLY A 10 -6.737 -10.682 -6.532 1.00 0.00 N ATOM 92 CA GLY A 10 -7.488 -9.458 -6.326 1.00 0.00 C ATOM 93 C GLY A 10 -6.836 -8.542 -5.309 1.00 0.00 C ATOM 94 O GLY A 10 -6.062 -8.992 -4.464 1.00 0.00 O ATOM 0 H GLY A 10 -5.915 -10.786 -5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.585 -8.931 -7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.496 -9.705 -5.994 1.00 0.00 H new ATOM 98 N PHE A 11 -7.147 -7.252 -5.391 1.00 0.00 N ATOM 99 CA PHE A 11 -6.583 -6.270 -4.473 1.00 0.00 C ATOM 100 C PHE A 11 -7.656 -5.726 -3.533 1.00 0.00 C ATOM 101 O PHE A 11 -8.852 -5.776 -3.820 1.00 0.00 O ATOM 102 CB PHE A 11 -5.941 -5.121 -5.253 1.00 0.00 C ATOM 103 CG PHE A 11 -6.731 -4.700 -6.459 1.00 0.00 C ATOM 104 CD1 PHE A 11 -6.633 -5.405 -7.648 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.572 -3.600 -6.404 1.00 0.00 C ATOM 106 CE1 PHE A 11 -7.358 -5.020 -8.760 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.300 -3.211 -7.513 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.193 -3.922 -8.692 1.00 0.00 C ATOM 0 H PHE A 11 -7.787 -6.863 -6.084 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.818 -6.765 -3.875 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.821 -4.264 -4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.942 -5.421 -5.570 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.983 -6.265 -7.706 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.660 -3.040 -5.484 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.272 -5.577 -9.681 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.952 -2.352 -7.457 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.761 -3.620 -9.559 1.00 0.00 H new ATOM 118 N PRO A 12 -7.218 -5.192 -2.383 1.00 0.00 N ATOM 119 CA PRO A 12 -8.124 -4.628 -1.378 1.00 0.00 C ATOM 120 C PRO A 12 -8.774 -3.331 -1.846 1.00 0.00 C ATOM 121 O PRO A 12 -8.484 -2.840 -2.937 1.00 0.00 O ATOM 122 CB PRO A 12 -7.206 -4.365 -0.181 1.00 0.00 C ATOM 123 CG PRO A 12 -5.850 -4.194 -0.775 1.00 0.00 C ATOM 124 CD PRO A 12 -5.806 -5.098 -1.976 1.00 0.00 C ATOM 0 HA PRO A 12 -8.955 -5.298 -1.157 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.514 -3.474 0.366 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.227 -5.196 0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.678 -3.156 -1.061 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.074 -4.460 -0.058 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.186 -4.682 -2.770 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.393 -6.076 -1.728 1.00 0.00 H new ATOM 132 N GLN A 13 -9.653 -2.781 -1.014 1.00 0.00 N ATOM 133 CA GLN A 13 -10.343 -1.540 -1.344 1.00 0.00 C ATOM 134 C GLN A 13 -10.264 -0.548 -0.188 1.00 0.00 C ATOM 135 O GLN A 13 -9.676 -0.839 0.852 1.00 0.00 O ATOM 136 CB GLN A 13 -11.806 -1.822 -1.690 1.00 0.00 C ATOM 137 CG GLN A 13 -12.021 -3.160 -2.380 1.00 0.00 C ATOM 138 CD GLN A 13 -11.733 -3.102 -3.867 1.00 0.00 C ATOM 139 OE1 GLN A 13 -11.574 -2.024 -4.439 1.00 0.00 O ATOM 140 NE2 GLN A 13 -11.664 -4.266 -4.502 1.00 0.00 N ATOM 0 H GLN A 13 -9.904 -3.175 -0.107 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.850 -1.100 -2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.399 -1.795 -0.776 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.178 -1.026 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.379 -3.910 -1.918 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.050 -3.483 -2.225 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.802 -5.136 -3.988 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.473 -4.290 -5.504 1.00 0.00 H new ATOM 149 N ASN A 14 -10.859 0.625 -0.379 1.00 0.00 N ATOM 150 CA ASN A 14 -10.855 1.660 0.648 1.00 0.00 C ATOM 151 C ASN A 14 -9.436 2.147 0.924 1.00 0.00 C ATOM 152 O ASN A 14 -9.133 2.626 2.017 1.00 0.00 O ATOM 153 CB ASN A 14 -11.485 1.131 1.938 1.00 0.00 C ATOM 154 CG ASN A 14 -12.980 1.375 1.994 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.487 1.982 2.938 1.00 0.00 O ATOM 156 ND2 ASN A 14 -13.695 0.903 0.979 1.00 0.00 N ATOM 0 H ASN A 14 -11.350 0.882 -1.235 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.444 2.501 0.283 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.291 0.062 2.022 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.009 1.609 2.794 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.706 1.038 0.961 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.233 0.406 0.217 1.00 0.00 H new ATOM 163 N LEU A 15 -8.569 2.021 -0.075 1.00 0.00 N ATOM 164 CA LEU A 15 -7.180 2.448 0.059 1.00 0.00 C ATOM 165 C LEU A 15 -7.068 3.968 -0.017 1.00 0.00 C ATOM 166 O LEU A 15 -7.267 4.563 -1.077 1.00 0.00 O ATOM 167 CB LEU A 15 -6.321 1.807 -1.032 1.00 0.00 C ATOM 168 CG LEU A 15 -4.808 1.951 -0.866 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.336 1.224 0.384 1.00 0.00 C ATOM 170 CD2 LEU A 15 -4.084 1.424 -2.096 1.00 0.00 C ATOM 0 H LEU A 15 -8.803 1.627 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.818 2.123 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.562 0.745 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.604 2.241 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.573 3.010 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.257 1.338 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.829 1.647 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.583 0.165 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.008 1.535 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.326 0.371 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.399 1.989 -2.973 1.00 0.00 H new ATOM 182 N HIS A 16 -6.747 4.590 1.113 1.00 0.00 N ATOM 183 CA HIS A 16 -6.606 6.040 1.173 1.00 0.00 C ATOM 184 C HIS A 16 -5.828 6.459 2.417 1.00 0.00 C ATOM 185 O HIS A 16 -5.348 5.616 3.175 1.00 0.00 O ATOM 186 CB HIS A 16 -7.981 6.709 1.167 1.00 0.00 C ATOM 187 CG HIS A 16 -8.967 6.057 2.088 1.00 0.00 C ATOM 188 ND1 HIS A 16 -9.970 5.221 1.646 1.00 0.00 N ATOM 189 CD2 HIS A 16 -9.099 6.122 3.433 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.678 4.801 2.679 1.00 0.00 C ATOM 191 NE2 HIS A 16 -10.169 5.333 3.776 1.00 0.00 N ATOM 0 H HIS A 16 -6.580 4.113 1.999 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.050 6.363 0.293 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.868 7.756 1.450 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.379 6.694 0.152 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.478 6.689 4.111 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.528 4.136 2.634 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.515 5.182 4.724 1.00 0.00 H new ATOM 200 N VAL A 17 -5.708 7.767 2.622 1.00 0.00 N ATOM 201 CA VAL A 17 -4.989 8.298 3.774 1.00 0.00 C ATOM 202 C VAL A 17 -5.951 8.907 4.788 1.00 0.00 C ATOM 203 O VAL A 17 -6.727 9.806 4.463 1.00 0.00 O ATOM 204 CB VAL A 17 -3.962 9.365 3.352 1.00 0.00 C ATOM 205 CG1 VAL A 17 -3.321 10.002 4.575 1.00 0.00 C ATOM 206 CG2 VAL A 17 -2.905 8.756 2.443 1.00 0.00 C ATOM 0 H VAL A 17 -6.100 8.479 2.005 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.463 7.461 4.233 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.482 10.145 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.598 10.753 4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.091 10.474 5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.814 9.235 5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.187 9.524 2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.387 7.956 2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.382 8.351 1.550 1.00 0.00 H new ATOM 216 N THR A 18 -5.894 8.411 6.021 1.00 0.00 N ATOM 217 CA THR A 18 -6.760 8.906 7.084 1.00 0.00 C ATOM 218 C THR A 18 -6.184 10.165 7.721 1.00 0.00 C ATOM 219 O THR A 18 -6.902 10.933 8.359 1.00 0.00 O ATOM 220 CB THR A 18 -6.972 7.841 8.177 1.00 0.00 C ATOM 221 OG1 THR A 18 -7.975 8.279 9.100 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.675 7.566 8.922 1.00 0.00 C ATOM 0 H THR A 18 -5.257 7.667 6.307 1.00 0.00 H new ATOM 0 HA THR A 18 -7.720 9.142 6.626 1.00 0.00 H new ATOM 0 HB THR A 18 -7.299 6.919 7.697 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.105 7.596 9.791 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.849 6.811 9.689 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.922 7.205 8.221 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.323 8.485 9.391 1.00 0.00 H new ATOM 230 N GLY A 19 -4.882 10.370 7.544 1.00 0.00 N ATOM 231 CA GLY A 19 -4.232 11.538 8.108 1.00 0.00 C ATOM 232 C GLY A 19 -2.768 11.629 7.724 1.00 0.00 C ATOM 233 O GLY A 19 -1.889 11.283 8.514 1.00 0.00 O ATOM 0 H GLY A 19 -4.266 9.748 7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.749 12.436 7.771 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.318 11.509 9.194 1.00 0.00 H new ATOM 237 N LEU A 20 -2.505 12.094 6.507 1.00 0.00 N ATOM 238 CA LEU A 20 -1.137 12.227 6.019 1.00 0.00 C ATOM 239 C LEU A 20 -0.356 13.235 6.856 1.00 0.00 C ATOM 240 O LEU A 20 -0.915 13.902 7.727 1.00 0.00 O ATOM 241 CB LEU A 20 -1.139 12.658 4.551 1.00 0.00 C ATOM 242 CG LEU A 20 -1.113 14.166 4.294 1.00 0.00 C ATOM 243 CD1 LEU A 20 -1.413 14.463 2.833 1.00 0.00 C ATOM 244 CD2 LEU A 20 -2.106 14.878 5.200 1.00 0.00 C ATOM 0 H LEU A 20 -3.221 12.385 5.841 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.650 11.256 6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.274 12.211 4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.026 12.243 4.073 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.114 14.537 4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.390 15.540 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.664 13.984 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.401 14.078 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.074 15.950 5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.111 14.503 5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.846 14.692 6.242 1.00 0.00 H new ATOM 256 N THR A 21 0.941 13.344 6.583 1.00 0.00 N ATOM 257 CA THR A 21 1.799 14.272 7.310 1.00 0.00 C ATOM 258 C THR A 21 2.862 14.868 6.395 1.00 0.00 C ATOM 259 O THR A 21 3.125 14.350 5.310 1.00 0.00 O ATOM 260 CB THR A 21 2.490 13.582 8.501 1.00 0.00 C ATOM 261 OG1 THR A 21 1.600 12.637 9.104 1.00 0.00 O ATOM 262 CG2 THR A 21 2.932 14.604 9.537 1.00 0.00 C ATOM 0 H THR A 21 1.420 12.801 5.864 1.00 0.00 H new ATOM 0 HA THR A 21 1.157 15.070 7.685 1.00 0.00 H new ATOM 0 HB THR A 21 3.372 13.062 8.129 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.076 11.795 9.263 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.417 14.093 10.368 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.633 15.303 9.082 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.063 15.149 9.904 1.00 0.00 H new ATOM 270 N THR A 22 3.473 15.962 6.840 1.00 0.00 N ATOM 271 CA THR A 22 4.508 16.630 6.061 1.00 0.00 C ATOM 272 C THR A 22 5.626 15.663 5.690 1.00 0.00 C ATOM 273 O THR A 22 6.060 15.613 4.539 1.00 0.00 O ATOM 274 CB THR A 22 5.109 17.822 6.831 1.00 0.00 C ATOM 275 OG1 THR A 22 5.791 17.356 8.001 1.00 0.00 O ATOM 276 CG2 THR A 22 4.024 18.811 7.229 1.00 0.00 C ATOM 0 H THR A 22 3.269 16.404 7.736 1.00 0.00 H new ATOM 0 HA THR A 22 4.032 16.997 5.152 1.00 0.00 H new ATOM 0 HB THR A 22 5.818 18.329 6.177 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.171 18.119 8.484 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.472 19.644 7.771 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.527 19.186 6.334 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.294 18.313 7.867 1.00 0.00 H new ATOM 284 N SER A 23 6.089 14.896 6.672 1.00 0.00 N ATOM 285 CA SER A 23 7.160 13.932 6.448 1.00 0.00 C ATOM 286 C SER A 23 6.604 12.515 6.350 1.00 0.00 C ATOM 287 O SER A 23 7.069 11.706 5.546 1.00 0.00 O ATOM 288 CB SER A 23 8.190 14.011 7.577 1.00 0.00 C ATOM 289 OG SER A 23 8.845 15.267 7.583 1.00 0.00 O ATOM 0 H SER A 23 5.739 14.923 7.630 1.00 0.00 H new ATOM 0 HA SER A 23 7.646 14.179 5.504 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.697 13.850 8.535 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.925 13.215 7.459 1.00 0.00 H new ATOM 0 HG SER A 23 9.497 15.293 8.315 1.00 0.00 H new ATOM 295 N THR A 24 5.603 12.220 7.174 1.00 0.00 N ATOM 296 CA THR A 24 4.983 10.901 7.183 1.00 0.00 C ATOM 297 C THR A 24 3.626 10.928 6.488 1.00 0.00 C ATOM 298 O THR A 24 3.124 11.991 6.124 1.00 0.00 O ATOM 299 CB THR A 24 4.802 10.375 8.619 1.00 0.00 C ATOM 300 OG1 THR A 24 3.708 11.047 9.253 1.00 0.00 O ATOM 301 CG2 THR A 24 6.070 10.578 9.434 1.00 0.00 C ATOM 0 H THR A 24 5.204 12.878 7.844 1.00 0.00 H new ATOM 0 HA THR A 24 5.653 10.233 6.642 1.00 0.00 H new ATOM 0 HB THR A 24 4.590 9.307 8.567 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.599 10.706 10.165 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.918 10.199 10.444 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.894 10.040 8.965 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.308 11.641 9.477 1.00 0.00 H new ATOM 309 N THR A 25 3.036 9.750 6.308 1.00 0.00 N ATOM 310 CA THR A 25 1.737 9.638 5.657 1.00 0.00 C ATOM 311 C THR A 25 0.968 8.426 6.169 1.00 0.00 C ATOM 312 O THR A 25 1.390 7.286 5.978 1.00 0.00 O ATOM 313 CB THR A 25 1.883 9.531 4.128 1.00 0.00 C ATOM 314 OG1 THR A 25 2.067 10.832 3.560 1.00 0.00 O ATOM 315 CG2 THR A 25 0.657 8.873 3.512 1.00 0.00 C ATOM 0 H THR A 25 3.438 8.860 6.604 1.00 0.00 H new ATOM 0 HA THR A 25 1.183 10.545 5.899 1.00 0.00 H new ATOM 0 HB THR A 25 2.755 8.914 3.912 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.319 11.464 4.265 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.783 8.808 2.431 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.536 7.871 3.924 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.228 9.468 3.739 1.00 0.00 H new ATOM 323 N GLU A 26 -0.163 8.680 6.821 1.00 0.00 N ATOM 324 CA GLU A 26 -0.991 7.607 7.360 1.00 0.00 C ATOM 325 C GLU A 26 -1.824 6.957 6.260 1.00 0.00 C ATOM 326 O GLU A 26 -2.115 7.578 5.237 1.00 0.00 O ATOM 327 CB GLU A 26 -1.908 8.145 8.460 1.00 0.00 C ATOM 328 CG GLU A 26 -1.181 8.473 9.753 1.00 0.00 C ATOM 329 CD GLU A 26 -2.129 8.842 10.878 1.00 0.00 C ATOM 330 OE1 GLU A 26 -3.197 8.206 10.988 1.00 0.00 O ATOM 331 OE2 GLU A 26 -1.801 9.769 11.648 1.00 0.00 O ATOM 0 H GLU A 26 -0.526 9.618 6.988 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.330 6.851 7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.409 9.043 8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.684 7.408 8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.581 7.615 10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.491 9.299 9.578 1.00 0.00 H new ATOM 338 N LEU A 27 -2.205 5.703 6.477 1.00 0.00 N ATOM 339 CA LEU A 27 -3.005 4.967 5.504 1.00 0.00 C ATOM 340 C LEU A 27 -4.101 4.164 6.197 1.00 0.00 C ATOM 341 O LEU A 27 -4.061 3.957 7.409 1.00 0.00 O ATOM 342 CB LEU A 27 -2.114 4.033 4.684 1.00 0.00 C ATOM 343 CG LEU A 27 -0.941 4.691 3.957 1.00 0.00 C ATOM 344 CD1 LEU A 27 -0.080 3.642 3.272 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.445 5.712 2.947 1.00 0.00 C ATOM 0 H LEU A 27 -1.973 5.175 7.318 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.476 5.689 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.719 3.265 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.735 3.527 3.945 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.327 5.210 4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.749 4.130 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.311 2.949 4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.682 3.094 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.597 6.171 2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.082 5.216 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.018 6.482 3.463 1.00 0.00 H new ATOM 357 N ALA A 28 -5.079 3.712 5.418 1.00 0.00 N ATOM 358 CA ALA A 28 -6.183 2.928 5.956 1.00 0.00 C ATOM 359 C ALA A 28 -7.009 2.303 4.836 1.00 0.00 C ATOM 360 O ALA A 28 -7.739 2.998 4.129 1.00 0.00 O ATOM 361 CB ALA A 28 -7.064 3.796 6.843 1.00 0.00 C ATOM 0 H ALA A 28 -5.129 3.876 4.412 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.764 2.121 6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.885 3.197 7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.472 4.190 7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.467 4.623 6.258 1.00 0.00 H new ATOM 367 N TRP A 29 -6.888 0.990 4.681 1.00 0.00 N ATOM 368 CA TRP A 29 -7.624 0.272 3.646 1.00 0.00 C ATOM 369 C TRP A 29 -8.405 -0.894 4.243 1.00 0.00 C ATOM 370 O TRP A 29 -8.396 -1.103 5.456 1.00 0.00 O ATOM 371 CB TRP A 29 -6.664 -0.238 2.570 1.00 0.00 C ATOM 372 CG TRP A 29 -5.636 -1.194 3.096 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.730 -2.555 3.144 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.359 -0.859 3.652 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.590 -3.087 3.695 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.733 -2.067 4.014 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.684 0.344 3.876 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.465 -2.105 4.588 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.426 0.304 4.447 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.827 -0.913 4.797 1.00 0.00 C ATOM 0 H TRP A 29 -6.288 0.401 5.258 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.333 0.964 3.192 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.238 -0.729 1.784 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.159 0.612 2.112 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.577 -3.129 2.799 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.411 -4.080 3.843 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.137 1.287 3.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.002 -3.042 4.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.895 1.227 4.627 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.842 -0.910 5.241 1.00 0.00 H new ATOM 391 N ASP A 30 -9.079 -1.650 3.383 1.00 0.00 N ATOM 392 CA ASP A 30 -9.864 -2.796 3.826 1.00 0.00 C ATOM 393 C ASP A 30 -9.449 -4.061 3.080 1.00 0.00 C ATOM 394 O ASP A 30 -8.793 -4.009 2.039 1.00 0.00 O ATOM 395 CB ASP A 30 -11.356 -2.532 3.615 1.00 0.00 C ATOM 396 CG ASP A 30 -12.020 -1.947 4.846 1.00 0.00 C ATOM 397 OD1 ASP A 30 -11.341 -1.212 5.594 1.00 0.00 O ATOM 398 OD2 ASP A 30 -13.218 -2.225 5.062 1.00 0.00 O ATOM 0 H ASP A 30 -9.097 -1.490 2.376 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.676 -2.944 4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.486 -1.848 2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.853 -3.464 3.346 1.00 0.00 H new ATOM 403 N PRO A 31 -9.838 -5.224 3.623 1.00 0.00 N ATOM 404 CA PRO A 31 -9.516 -6.523 3.026 1.00 0.00 C ATOM 405 C PRO A 31 -10.272 -6.766 1.724 1.00 0.00 C ATOM 406 O PRO A 31 -11.354 -6.224 1.497 1.00 0.00 O ATOM 407 CB PRO A 31 -9.959 -7.524 4.096 1.00 0.00 C ATOM 408 CG PRO A 31 -11.014 -6.811 4.869 1.00 0.00 C ATOM 409 CD PRO A 31 -10.622 -5.359 4.862 1.00 0.00 C ATOM 0 HA PRO A 31 -8.462 -6.600 2.761 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.347 -8.438 3.646 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.126 -7.813 4.737 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.994 -6.953 4.414 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.077 -7.193 5.888 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.495 -4.707 4.858 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.033 -5.097 5.741 1.00 0.00 H new ATOM 417 N PRO A 32 -9.692 -7.599 0.848 1.00 0.00 N ATOM 418 CA PRO A 32 -10.295 -7.933 -0.446 1.00 0.00 C ATOM 419 C PRO A 32 -11.541 -8.799 -0.298 1.00 0.00 C ATOM 420 O PRO A 32 -11.631 -9.626 0.610 1.00 0.00 O ATOM 421 CB PRO A 32 -9.187 -8.708 -1.164 1.00 0.00 C ATOM 422 CG PRO A 32 -8.354 -9.279 -0.069 1.00 0.00 C ATOM 423 CD PRO A 32 -8.402 -8.280 1.054 1.00 0.00 C ATOM 0 HA PRO A 32 -10.629 -7.044 -0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.600 -9.493 -1.798 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.600 -8.054 -1.808 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.742 -10.246 0.252 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.329 -9.442 -0.403 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.356 -8.767 2.028 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.567 -7.582 1.007 1.00 0.00 H new ATOM 431 N VAL A 33 -12.501 -8.605 -1.197 1.00 0.00 N ATOM 432 CA VAL A 33 -13.742 -9.369 -1.167 1.00 0.00 C ATOM 433 C VAL A 33 -13.467 -10.866 -1.259 1.00 0.00 C ATOM 434 O VAL A 33 -12.791 -11.329 -2.178 1.00 0.00 O ATOM 435 CB VAL A 33 -14.681 -8.959 -2.317 1.00 0.00 C ATOM 436 CG1 VAL A 33 -15.395 -7.658 -1.986 1.00 0.00 C ATOM 437 CG2 VAL A 33 -13.905 -8.834 -3.620 1.00 0.00 C ATOM 0 H VAL A 33 -12.443 -7.925 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 33 -14.227 -9.149 -0.216 1.00 0.00 H new ATOM 0 HB VAL A 33 -15.434 -9.737 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -16.054 -7.385 -2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -15.984 -7.787 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -14.660 -6.868 -1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.584 -8.544 -4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.129 -8.077 -3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.445 -9.792 -3.863 1.00 0.00 H new ATOM 447 N LEU A 34 -13.997 -11.619 -0.301 1.00 0.00 N ATOM 448 CA LEU A 34 -13.810 -13.065 -0.273 1.00 0.00 C ATOM 449 C LEU A 34 -13.759 -13.635 -1.687 1.00 0.00 C ATOM 450 O LEU A 34 -13.056 -14.611 -1.949 1.00 0.00 O ATOM 451 CB LEU A 34 -14.939 -13.730 0.516 1.00 0.00 C ATOM 452 CG LEU A 34 -16.271 -13.884 -0.218 1.00 0.00 C ATOM 453 CD1 LEU A 34 -17.031 -15.094 0.303 1.00 0.00 C ATOM 454 CD2 LEU A 34 -17.109 -12.622 -0.071 1.00 0.00 C ATOM 0 H LEU A 34 -14.560 -11.252 0.466 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.860 -13.274 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -14.603 -14.719 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.112 -13.150 1.423 1.00 0.00 H new ATOM 0 HG LEU A 34 -16.065 -14.039 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -17.976 -15.187 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -16.435 -15.993 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.227 -14.970 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.054 -12.749 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.306 -12.437 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.568 -11.775 -0.493 1.00 0.00 H new ATOM 466 N ALA A 35 -14.507 -13.018 -2.596 1.00 0.00 N ATOM 467 CA ALA A 35 -14.544 -13.461 -3.984 1.00 0.00 C ATOM 468 C ALA A 35 -13.190 -13.268 -4.658 1.00 0.00 C ATOM 469 O ALA A 35 -12.498 -14.237 -4.969 1.00 0.00 O ATOM 470 CB ALA A 35 -15.627 -12.713 -4.748 1.00 0.00 C ATOM 0 H ALA A 35 -15.096 -12.210 -2.396 1.00 0.00 H new ATOM 0 HA ALA A 35 -14.777 -14.526 -3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -15.643 -13.054 -5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -16.596 -12.905 -4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -15.418 -11.643 -4.721 1.00 0.00 H new ATOM 476 N GLU A 36 -12.819 -12.011 -4.881 1.00 0.00 N ATOM 477 CA GLU A 36 -11.547 -11.693 -5.519 1.00 0.00 C ATOM 478 C GLU A 36 -10.394 -12.409 -4.822 1.00 0.00 C ATOM 479 O GLU A 36 -9.537 -13.008 -5.473 1.00 0.00 O ATOM 480 CB GLU A 36 -11.307 -10.181 -5.504 1.00 0.00 C ATOM 481 CG GLU A 36 -10.533 -9.700 -4.289 1.00 0.00 C ATOM 482 CD GLU A 36 -10.353 -8.195 -4.270 1.00 0.00 C ATOM 483 OE1 GLU A 36 -10.077 -7.616 -5.341 1.00 0.00 O ATOM 484 OE2 GLU A 36 -10.490 -7.595 -3.183 1.00 0.00 O ATOM 0 H GLU A 36 -13.380 -11.197 -4.630 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.593 -12.036 -6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.763 -9.899 -6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.268 -9.669 -5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.055 -10.011 -3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.554 -10.179 -4.273 1.00 0.00 H new ATOM 491 N ARG A 37 -10.379 -12.341 -3.495 1.00 0.00 N ATOM 492 CA ARG A 37 -9.330 -12.981 -2.710 1.00 0.00 C ATOM 493 C ARG A 37 -9.526 -14.494 -2.672 1.00 0.00 C ATOM 494 O ARG A 37 -10.237 -15.016 -1.814 1.00 0.00 O ATOM 495 CB ARG A 37 -9.318 -12.422 -1.286 1.00 0.00 C ATOM 496 CG ARG A 37 -10.702 -12.109 -0.742 1.00 0.00 C ATOM 497 CD ARG A 37 -10.757 -12.273 0.769 1.00 0.00 C ATOM 498 NE ARG A 37 -10.651 -13.672 1.173 1.00 0.00 N ATOM 499 CZ ARG A 37 -10.959 -14.112 2.388 1.00 0.00 C ATOM 500 NH1 ARG A 37 -11.390 -13.266 3.313 1.00 0.00 N ATOM 501 NH2 ARG A 37 -10.836 -15.401 2.679 1.00 0.00 N ATOM 0 H ARG A 37 -11.081 -11.850 -2.941 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.373 -12.768 -3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.832 -13.141 -0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.715 -11.514 -1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.977 -11.088 -1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.435 -12.768 -1.208 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.948 -11.702 1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.692 -11.857 1.145 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.322 -14.349 0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.486 -12.275 3.093 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.626 -13.606 4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.505 -16.055 1.969 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.073 -15.738 3.612 1.00 0.00 H new ATOM 515 N ASN A 38 -8.890 -15.191 -3.608 1.00 0.00 N ATOM 516 CA ASN A 38 -8.995 -16.644 -3.682 1.00 0.00 C ATOM 517 C ASN A 38 -9.065 -17.256 -2.286 1.00 0.00 C ATOM 518 O ASN A 38 -10.069 -17.861 -1.912 1.00 0.00 O ATOM 519 CB ASN A 38 -7.803 -17.224 -4.446 1.00 0.00 C ATOM 520 CG ASN A 38 -7.974 -17.120 -5.949 1.00 0.00 C ATOM 521 OD1 ASN A 38 -9.080 -17.262 -6.471 1.00 0.00 O ATOM 522 ND2 ASN A 38 -6.876 -16.871 -6.654 1.00 0.00 N ATOM 0 H ASN A 38 -8.297 -14.774 -4.325 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.914 -16.890 -4.214 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.895 -16.700 -4.149 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.672 -18.270 -4.169 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.929 -16.790 -7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.980 -16.760 -6.180 1.00 0.00 H new ATOM 529 N GLY A 39 -7.991 -17.094 -1.520 1.00 0.00 N ATOM 530 CA GLY A 39 -7.951 -17.635 -0.174 1.00 0.00 C ATOM 531 C GLY A 39 -7.953 -16.553 0.887 1.00 0.00 C ATOM 532 O GLY A 39 -8.483 -15.463 0.671 1.00 0.00 O ATOM 0 H GLY A 39 -7.148 -16.598 -1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.810 -18.289 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.058 -18.250 -0.059 1.00 0.00 H new ATOM 536 N ARG A 40 -7.359 -16.853 2.038 1.00 0.00 N ATOM 537 CA ARG A 40 -7.296 -15.898 3.137 1.00 0.00 C ATOM 538 C ARG A 40 -6.087 -14.979 2.991 1.00 0.00 C ATOM 539 O ARG A 40 -5.308 -15.108 2.047 1.00 0.00 O ATOM 540 CB ARG A 40 -7.233 -16.634 4.477 1.00 0.00 C ATOM 541 CG ARG A 40 -8.590 -17.096 4.983 1.00 0.00 C ATOM 542 CD ARG A 40 -9.350 -15.962 5.653 1.00 0.00 C ATOM 543 NE ARG A 40 -10.667 -16.387 6.120 1.00 0.00 N ATOM 544 CZ ARG A 40 -10.883 -16.938 7.310 1.00 0.00 C ATOM 545 NH1 ARG A 40 -9.874 -17.128 8.148 1.00 0.00 N ATOM 546 NH2 ARG A 40 -12.110 -17.298 7.663 1.00 0.00 N ATOM 0 H ARG A 40 -6.915 -17.750 2.233 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.199 -15.288 3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.578 -17.500 4.376 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.781 -15.978 5.221 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.176 -17.487 4.151 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.456 -17.914 5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.771 -15.586 6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.463 -15.137 4.950 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.465 -16.254 5.499 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.930 -16.851 7.880 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.042 -17.551 9.061 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.889 -17.152 7.021 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.274 -17.721 8.577 1.00 0.00 H new ATOM 560 N ILE A 41 -5.937 -14.053 3.932 1.00 0.00 N ATOM 561 CA ILE A 41 -4.823 -13.114 3.908 1.00 0.00 C ATOM 562 C ILE A 41 -3.952 -13.262 5.152 1.00 0.00 C ATOM 563 O ILE A 41 -4.447 -13.581 6.233 1.00 0.00 O ATOM 564 CB ILE A 41 -5.315 -11.658 3.811 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.522 -11.567 2.874 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.193 -10.751 3.328 1.00 0.00 C ATOM 567 CD1 ILE A 41 -6.210 -11.959 1.447 1.00 0.00 C ATOM 0 H ILE A 41 -6.573 -13.933 4.720 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.232 -13.349 3.023 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.622 -11.326 4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.316 -12.210 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.905 -10.547 2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.556 -9.725 3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.360 -10.798 4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.858 -11.079 2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.111 -11.871 0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.438 -11.300 1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.855 -12.989 1.422 1.00 0.00 H new ATOM 579 N ILE A 42 -2.655 -13.026 4.990 1.00 0.00 N ATOM 580 CA ILE A 42 -1.716 -13.131 6.100 1.00 0.00 C ATOM 581 C ILE A 42 -1.028 -11.796 6.366 1.00 0.00 C ATOM 582 O ILE A 42 -0.652 -11.494 7.499 1.00 0.00 O ATOM 583 CB ILE A 42 -0.644 -14.203 5.832 1.00 0.00 C ATOM 584 CG1 ILE A 42 0.008 -13.974 4.466 1.00 0.00 C ATOM 585 CG2 ILE A 42 -1.255 -15.594 5.907 1.00 0.00 C ATOM 586 CD1 ILE A 42 1.055 -15.007 4.116 1.00 0.00 C ATOM 0 H ILE A 42 -2.230 -12.761 4.101 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.296 -13.420 6.977 1.00 0.00 H new ATOM 0 HB ILE A 42 0.127 -14.124 6.599 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.765 -13.978 3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.466 -12.985 4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.484 -16.341 5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.676 -15.754 6.900 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.043 -15.686 5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.474 -14.782 3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.849 -14.988 4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.598 -15.996 4.097 1.00 0.00 H new ATOM 598 N SER A 43 -0.870 -10.998 5.315 1.00 0.00 N ATOM 599 CA SER A 43 -0.226 -9.695 5.434 1.00 0.00 C ATOM 600 C SER A 43 -0.311 -8.925 4.119 1.00 0.00 C ATOM 601 O SER A 43 -0.735 -9.465 3.097 1.00 0.00 O ATOM 602 CB SER A 43 1.238 -9.862 5.846 1.00 0.00 C ATOM 603 OG SER A 43 1.881 -10.849 5.058 1.00 0.00 O ATOM 0 H SER A 43 -1.179 -11.231 4.371 1.00 0.00 H new ATOM 0 HA SER A 43 -0.750 -9.127 6.203 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.760 -8.911 5.740 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.293 -10.140 6.899 1.00 0.00 H new ATOM 0 HG SER A 43 2.816 -10.935 5.340 1.00 0.00 H new ATOM 609 N TYR A 44 0.095 -7.661 4.155 1.00 0.00 N ATOM 610 CA TYR A 44 0.062 -6.814 2.968 1.00 0.00 C ATOM 611 C TYR A 44 1.399 -6.106 2.767 1.00 0.00 C ATOM 612 O TYR A 44 2.246 -6.087 3.661 1.00 0.00 O ATOM 613 CB TYR A 44 -1.062 -5.783 3.082 1.00 0.00 C ATOM 614 CG TYR A 44 -2.437 -6.398 3.214 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.793 -7.116 4.348 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.380 -6.260 2.203 1.00 0.00 C ATOM 617 CE1 TYR A 44 -4.048 -7.681 4.472 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.638 -6.820 2.319 1.00 0.00 C ATOM 619 CZ TYR A 44 -4.967 -7.529 3.455 1.00 0.00 C ATOM 620 OH TYR A 44 -6.218 -8.089 3.575 1.00 0.00 O ATOM 0 H TYR A 44 0.451 -7.200 4.993 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.125 -7.451 2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.873 -5.146 3.947 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.044 -5.140 2.202 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.076 -7.235 5.147 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.126 -5.706 1.312 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.308 -8.238 5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.360 -6.703 1.524 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.824 -7.447 4.000 1.00 0.00 H new ATOM 630 N THR A 45 1.581 -5.524 1.586 1.00 0.00 N ATOM 631 CA THR A 45 2.813 -4.815 1.266 1.00 0.00 C ATOM 632 C THR A 45 2.520 -3.417 0.732 1.00 0.00 C ATOM 633 O THR A 45 2.144 -3.251 -0.428 1.00 0.00 O ATOM 634 CB THR A 45 3.650 -5.584 0.226 1.00 0.00 C ATOM 635 OG1 THR A 45 3.989 -6.880 0.732 1.00 0.00 O ATOM 636 CG2 THR A 45 4.920 -4.820 -0.119 1.00 0.00 C ATOM 0 H THR A 45 0.890 -5.530 0.835 1.00 0.00 H new ATOM 0 HA THR A 45 3.382 -4.736 2.193 1.00 0.00 H new ATOM 0 HB THR A 45 3.053 -5.693 -0.680 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.969 -7.532 0.001 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.494 -5.383 -0.855 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.658 -3.846 -0.531 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.519 -4.684 0.782 1.00 0.00 H new ATOM 644 N VAL A 46 2.696 -2.414 1.586 1.00 0.00 N ATOM 645 CA VAL A 46 2.452 -1.029 1.199 1.00 0.00 C ATOM 646 C VAL A 46 3.637 -0.457 0.429 1.00 0.00 C ATOM 647 O VAL A 46 4.648 -0.074 1.019 1.00 0.00 O ATOM 648 CB VAL A 46 2.177 -0.143 2.429 1.00 0.00 C ATOM 649 CG1 VAL A 46 2.070 1.318 2.021 1.00 0.00 C ATOM 650 CG2 VAL A 46 0.912 -0.600 3.141 1.00 0.00 C ATOM 0 H VAL A 46 3.007 -2.534 2.550 1.00 0.00 H new ATOM 0 HA VAL A 46 1.571 -1.030 0.557 1.00 0.00 H new ATOM 0 HB VAL A 46 3.013 -0.242 3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.876 1.929 2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.004 1.636 1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.253 1.438 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.732 0.036 4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.065 -0.531 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.031 -1.633 3.468 1.00 0.00 H new ATOM 660 N VAL A 47 3.506 -0.401 -0.892 1.00 0.00 N ATOM 661 CA VAL A 47 4.565 0.127 -1.744 1.00 0.00 C ATOM 662 C VAL A 47 4.355 1.610 -2.028 1.00 0.00 C ATOM 663 O VAL A 47 3.366 2.000 -2.648 1.00 0.00 O ATOM 664 CB VAL A 47 4.641 -0.635 -3.081 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.694 -0.017 -3.988 1.00 0.00 C ATOM 666 CG2 VAL A 47 4.932 -2.108 -2.839 1.00 0.00 C ATOM 0 H VAL A 47 2.677 -0.715 -1.396 1.00 0.00 H new ATOM 0 HA VAL A 47 5.502 -0.007 -1.204 1.00 0.00 H new ATOM 0 HB VAL A 47 3.675 -0.557 -3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.734 -0.568 -4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.437 1.023 -4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.667 -0.063 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.982 -2.631 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.885 -2.210 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.138 -2.540 -2.230 1.00 0.00 H new ATOM 676 N PHE A 48 5.293 2.432 -1.570 1.00 0.00 N ATOM 677 CA PHE A 48 5.211 3.874 -1.774 1.00 0.00 C ATOM 678 C PHE A 48 6.427 4.385 -2.540 1.00 0.00 C ATOM 679 O PHE A 48 7.544 3.907 -2.342 1.00 0.00 O ATOM 680 CB PHE A 48 5.101 4.595 -0.429 1.00 0.00 C ATOM 681 CG PHE A 48 6.247 4.310 0.500 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.314 3.111 1.191 1.00 0.00 C ATOM 683 CD2 PHE A 48 7.257 5.241 0.681 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.367 2.847 2.046 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.313 4.982 1.534 1.00 0.00 C ATOM 686 CZ PHE A 48 8.368 3.783 2.217 1.00 0.00 C ATOM 0 H PHE A 48 6.118 2.125 -1.055 1.00 0.00 H new ATOM 0 HA PHE A 48 4.319 4.082 -2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.045 5.669 -0.605 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.170 4.303 0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.535 2.375 1.060 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.219 6.180 0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.407 1.909 2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.094 5.716 1.666 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.192 3.578 2.884 1.00 0.00 H new ATOM 696 N ARG A 49 6.202 5.360 -3.415 1.00 0.00 N ATOM 697 CA ARG A 49 7.278 5.935 -4.212 1.00 0.00 C ATOM 698 C ARG A 49 6.885 7.310 -4.745 1.00 0.00 C ATOM 699 O ARG A 49 5.733 7.536 -5.116 1.00 0.00 O ATOM 700 CB ARG A 49 7.632 5.007 -5.376 1.00 0.00 C ATOM 701 CG ARG A 49 8.620 5.612 -6.359 1.00 0.00 C ATOM 702 CD ARG A 49 8.638 4.847 -7.673 1.00 0.00 C ATOM 703 NE ARG A 49 7.332 4.848 -8.326 1.00 0.00 N ATOM 704 CZ ARG A 49 6.915 5.816 -9.133 1.00 0.00 C ATOM 705 NH1 ARG A 49 7.698 6.856 -9.386 1.00 0.00 N ATOM 706 NH2 ARG A 49 5.712 5.746 -9.690 1.00 0.00 N ATOM 0 H ARG A 49 5.284 5.768 -3.590 1.00 0.00 H new ATOM 0 HA ARG A 49 8.151 6.049 -3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.049 4.082 -4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.719 4.742 -5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.357 6.653 -6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.618 5.609 -5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.377 5.291 -8.340 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.950 3.819 -7.489 1.00 0.00 H new ATOM 0 HE ARG A 49 6.706 4.062 -8.153 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.623 6.913 -8.960 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.375 7.598 -10.006 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.107 4.948 -9.498 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.393 6.491 -10.310 1.00 0.00 H new ATOM 720 N ASP A 50 7.849 8.223 -4.780 1.00 0.00 N ATOM 721 CA ASP A 50 7.604 9.575 -5.268 1.00 0.00 C ATOM 722 C ASP A 50 7.526 9.597 -6.791 1.00 0.00 C ATOM 723 O ASP A 50 8.525 9.378 -7.477 1.00 0.00 O ATOM 724 CB ASP A 50 8.706 10.521 -4.788 1.00 0.00 C ATOM 725 CG ASP A 50 8.707 11.838 -5.539 1.00 0.00 C ATOM 726 OD1 ASP A 50 7.614 12.296 -5.932 1.00 0.00 O ATOM 727 OD2 ASP A 50 9.800 12.409 -5.734 1.00 0.00 O ATOM 0 H ASP A 50 8.808 8.052 -4.476 1.00 0.00 H new ATOM 0 HA ASP A 50 6.647 9.911 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.577 10.714 -3.723 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.675 10.036 -4.909 1.00 0.00 H new ATOM 732 N ILE A 51 6.333 9.862 -7.313 1.00 0.00 N ATOM 733 CA ILE A 51 6.125 9.912 -8.755 1.00 0.00 C ATOM 734 C ILE A 51 7.050 10.933 -9.409 1.00 0.00 C ATOM 735 O ILE A 51 7.185 10.970 -10.631 1.00 0.00 O ATOM 736 CB ILE A 51 4.666 10.263 -9.101 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.282 11.609 -8.483 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.729 9.166 -8.620 1.00 0.00 C ATOM 739 CD1 ILE A 51 3.024 12.208 -9.073 1.00 0.00 C ATOM 0 H ILE A 51 5.496 10.045 -6.759 1.00 0.00 H new ATOM 0 HA ILE A 51 6.353 8.919 -9.141 1.00 0.00 H new ATOM 0 HB ILE A 51 4.574 10.343 -10.184 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.145 11.481 -7.409 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.106 12.310 -8.617 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.702 9.429 -8.872 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.992 8.225 -9.103 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.821 9.057 -7.539 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.812 13.161 -8.588 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.164 12.369 -10.142 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.188 11.527 -8.915 1.00 0.00 H new ATOM 751 N ASN A 52 7.688 11.759 -8.585 1.00 0.00 N ATOM 752 CA ASN A 52 8.602 12.780 -9.083 1.00 0.00 C ATOM 753 C ASN A 52 10.046 12.289 -9.029 1.00 0.00 C ATOM 754 O ASN A 52 10.927 12.850 -9.681 1.00 0.00 O ATOM 755 CB ASN A 52 8.458 14.065 -8.266 1.00 0.00 C ATOM 756 CG ASN A 52 7.061 14.649 -8.348 1.00 0.00 C ATOM 757 OD1 ASN A 52 6.801 15.558 -9.136 1.00 0.00 O ATOM 758 ND2 ASN A 52 6.153 14.127 -7.531 1.00 0.00 N ATOM 0 H ASN A 52 7.589 11.741 -7.570 1.00 0.00 H new ATOM 0 HA ASN A 52 8.345 12.987 -10.122 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.702 13.859 -7.224 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.178 14.801 -8.622 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.196 14.479 -7.541 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.413 13.374 -6.894 1.00 0.00 H new ATOM 765 N SER A 53 10.280 11.239 -8.249 1.00 0.00 N ATOM 766 CA SER A 53 11.617 10.675 -8.107 1.00 0.00 C ATOM 767 C SER A 53 11.646 9.223 -8.575 1.00 0.00 C ATOM 768 O SER A 53 10.617 8.659 -8.945 1.00 0.00 O ATOM 769 CB SER A 53 12.080 10.763 -6.651 1.00 0.00 C ATOM 770 OG SER A 53 12.745 11.989 -6.401 1.00 0.00 O ATOM 0 H SER A 53 9.561 10.761 -7.706 1.00 0.00 H new ATOM 0 HA SER A 53 12.297 11.254 -8.732 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.221 10.669 -5.987 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.748 9.931 -6.427 1.00 0.00 H new ATOM 0 HG SER A 53 12.101 12.648 -6.068 1.00 0.00 H new ATOM 776 N GLN A 54 12.833 8.625 -8.555 1.00 0.00 N ATOM 777 CA GLN A 54 12.997 7.240 -8.978 1.00 0.00 C ATOM 778 C GLN A 54 13.378 6.352 -7.798 1.00 0.00 C ATOM 779 O GLN A 54 14.048 5.333 -7.967 1.00 0.00 O ATOM 780 CB GLN A 54 14.062 7.140 -10.071 1.00 0.00 C ATOM 781 CG GLN A 54 13.743 7.963 -11.309 1.00 0.00 C ATOM 782 CD GLN A 54 14.971 8.256 -12.148 1.00 0.00 C ATOM 783 OE1 GLN A 54 16.098 7.979 -11.737 1.00 0.00 O ATOM 784 NE2 GLN A 54 14.759 8.820 -13.331 1.00 0.00 N ATOM 0 H GLN A 54 13.695 9.078 -8.250 1.00 0.00 H new ATOM 0 HA GLN A 54 12.044 6.894 -9.377 1.00 0.00 H new ATOM 0 HB2 GLN A 54 15.019 7.466 -9.665 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.178 6.095 -10.359 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.012 7.430 -11.916 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.282 8.903 -11.007 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.808 9.032 -13.632 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.547 9.041 -13.939 1.00 0.00 H new ATOM 793 N GLN A 55 12.948 6.746 -6.604 1.00 0.00 N ATOM 794 CA GLN A 55 13.246 5.986 -5.395 1.00 0.00 C ATOM 795 C GLN A 55 12.038 5.165 -4.957 1.00 0.00 C ATOM 796 O GLN A 55 11.159 5.664 -4.254 1.00 0.00 O ATOM 797 CB GLN A 55 13.674 6.927 -4.268 1.00 0.00 C ATOM 798 CG GLN A 55 13.806 6.240 -2.919 1.00 0.00 C ATOM 799 CD GLN A 55 14.861 5.151 -2.920 1.00 0.00 C ATOM 800 OE1 GLN A 55 16.052 5.424 -2.766 1.00 0.00 O ATOM 801 NE2 GLN A 55 14.428 3.907 -3.093 1.00 0.00 N ATOM 0 H GLN A 55 12.392 7.587 -6.447 1.00 0.00 H new ATOM 0 HA GLN A 55 14.065 5.303 -5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.629 7.383 -4.529 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.947 7.735 -4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.056 6.982 -2.160 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.845 5.809 -2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.432 3.726 -3.217 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.092 3.133 -3.102 1.00 0.00 H new ATOM 810 N GLU A 56 12.001 3.905 -5.378 1.00 0.00 N ATOM 811 CA GLU A 56 10.899 3.016 -5.029 1.00 0.00 C ATOM 812 C GLU A 56 11.105 2.412 -3.643 1.00 0.00 C ATOM 813 O GLU A 56 12.224 2.062 -3.266 1.00 0.00 O ATOM 814 CB GLU A 56 10.765 1.901 -6.068 1.00 0.00 C ATOM 815 CG GLU A 56 9.358 1.336 -6.177 1.00 0.00 C ATOM 816 CD GLU A 56 9.112 0.634 -7.498 1.00 0.00 C ATOM 817 OE1 GLU A 56 8.862 1.333 -8.503 1.00 0.00 O ATOM 818 OE2 GLU A 56 9.170 -0.613 -7.528 1.00 0.00 O ATOM 0 H GLU A 56 12.721 3.477 -5.961 1.00 0.00 H new ATOM 0 HA GLU A 56 9.981 3.604 -5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.070 2.285 -7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.453 1.094 -5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.188 0.635 -5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.636 2.144 -6.059 1.00 0.00 H new ATOM 825 N LEU A 57 10.018 2.293 -2.888 1.00 0.00 N ATOM 826 CA LEU A 57 10.079 1.732 -1.543 1.00 0.00 C ATOM 827 C LEU A 57 8.770 1.036 -1.184 1.00 0.00 C ATOM 828 O LEU A 57 7.773 1.163 -1.895 1.00 0.00 O ATOM 829 CB LEU A 57 10.382 2.831 -0.523 1.00 0.00 C ATOM 830 CG LEU A 57 11.574 3.733 -0.844 1.00 0.00 C ATOM 831 CD1 LEU A 57 11.428 5.078 -0.148 1.00 0.00 C ATOM 832 CD2 LEU A 57 12.877 3.060 -0.439 1.00 0.00 C ATOM 0 H LEU A 57 9.084 2.577 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 57 10.880 0.994 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.496 3.457 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.557 2.362 0.445 1.00 0.00 H new ATOM 0 HG LEU A 57 11.596 3.904 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.285 5.707 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.514 5.566 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.380 4.926 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.714 3.717 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.865 2.858 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.987 2.122 -0.984 1.00 0.00 H new ATOM 844 N GLN A 58 8.779 0.304 -0.075 1.00 0.00 N ATOM 845 CA GLN A 58 7.592 -0.410 0.379 1.00 0.00 C ATOM 846 C GLN A 58 7.745 -0.854 1.831 1.00 0.00 C ATOM 847 O GLN A 58 8.848 -0.861 2.374 1.00 0.00 O ATOM 848 CB GLN A 58 7.329 -1.625 -0.513 1.00 0.00 C ATOM 849 CG GLN A 58 8.381 -2.714 -0.382 1.00 0.00 C ATOM 850 CD GLN A 58 8.488 -3.575 -1.626 1.00 0.00 C ATOM 851 OE1 GLN A 58 7.494 -3.824 -2.309 1.00 0.00 O ATOM 852 NE2 GLN A 58 9.697 -4.034 -1.927 1.00 0.00 N ATOM 0 H GLN A 58 9.595 0.190 0.526 1.00 0.00 H new ATOM 0 HA GLN A 58 6.743 0.270 0.314 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.353 -2.042 -0.266 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.282 -1.299 -1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.349 -2.256 -0.177 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.140 -3.346 0.473 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.493 -3.803 -1.333 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.830 -4.618 -2.753 1.00 0.00 H new ATOM 861 N ASN A 59 6.629 -1.223 2.452 1.00 0.00 N ATOM 862 CA ASN A 59 6.639 -1.667 3.841 1.00 0.00 C ATOM 863 C ASN A 59 5.754 -2.895 4.026 1.00 0.00 C ATOM 864 O ASN A 59 5.016 -3.283 3.120 1.00 0.00 O ATOM 865 CB ASN A 59 6.166 -0.540 4.762 1.00 0.00 C ATOM 866 CG ASN A 59 7.251 0.486 5.026 1.00 0.00 C ATOM 867 OD1 ASN A 59 7.031 1.689 4.885 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.431 0.013 5.410 1.00 0.00 N ATOM 0 H ASN A 59 5.707 -1.223 2.016 1.00 0.00 H new ATOM 0 HA ASN A 59 7.662 -1.936 4.103 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.304 -0.046 4.314 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.833 -0.964 5.709 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.200 0.655 5.601 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.568 -0.992 5.514 1.00 0.00 H new ATOM 875 N ILE A 60 5.834 -3.503 5.205 1.00 0.00 N ATOM 876 CA ILE A 60 5.039 -4.686 5.509 1.00 0.00 C ATOM 877 C ILE A 60 4.408 -4.584 6.893 1.00 0.00 C ATOM 878 O ILE A 60 5.075 -4.239 7.869 1.00 0.00 O ATOM 879 CB ILE A 60 5.889 -5.969 5.438 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.626 -6.045 4.100 1.00 0.00 C ATOM 881 CG2 ILE A 60 5.013 -7.197 5.637 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.552 -7.236 3.986 1.00 0.00 C ATOM 0 H ILE A 60 6.441 -3.196 5.965 1.00 0.00 H new ATOM 0 HA ILE A 60 4.252 -4.739 4.757 1.00 0.00 H new ATOM 0 HB ILE A 60 6.629 -5.941 6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.894 -6.086 3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.204 -5.131 3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.628 -8.095 5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.530 -7.145 6.613 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.252 -7.232 4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.040 -7.225 3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.307 -7.186 4.771 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.977 -8.156 4.093 1.00 0.00 H new ATOM 894 N THR A 61 3.116 -4.888 6.973 1.00 0.00 N ATOM 895 CA THR A 61 2.394 -4.832 8.237 1.00 0.00 C ATOM 896 C THR A 61 1.266 -5.856 8.273 1.00 0.00 C ATOM 897 O THR A 61 0.605 -6.104 7.264 1.00 0.00 O ATOM 898 CB THR A 61 1.806 -3.430 8.486 1.00 0.00 C ATOM 899 OG1 THR A 61 1.096 -3.409 9.730 1.00 0.00 O ATOM 900 CG2 THR A 61 0.870 -3.027 7.356 1.00 0.00 C ATOM 0 H THR A 61 2.548 -5.176 6.176 1.00 0.00 H new ATOM 0 HA THR A 61 3.114 -5.062 9.022 1.00 0.00 H new ATOM 0 HB THR A 61 2.630 -2.717 8.526 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.727 -2.514 9.881 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.467 -2.034 7.554 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.420 -3.015 6.415 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.051 -3.744 7.288 1.00 0.00 H new ATOM 908 N THR A 62 1.050 -6.451 9.442 1.00 0.00 N ATOM 909 CA THR A 62 0.002 -7.450 9.609 1.00 0.00 C ATOM 910 C THR A 62 -1.357 -6.792 9.822 1.00 0.00 C ATOM 911 O THR A 62 -2.302 -7.431 10.284 1.00 0.00 O ATOM 912 CB THR A 62 0.299 -8.383 10.799 1.00 0.00 C ATOM 913 OG1 THR A 62 0.653 -7.610 11.951 1.00 0.00 O ATOM 914 CG2 THR A 62 1.427 -9.346 10.462 1.00 0.00 C ATOM 0 H THR A 62 1.587 -6.258 10.287 1.00 0.00 H new ATOM 0 HA THR A 62 -0.022 -8.038 8.692 1.00 0.00 H new ATOM 0 HB THR A 62 -0.600 -8.961 11.013 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.839 -8.210 12.703 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.619 -9.995 11.317 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.143 -9.953 9.602 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.329 -8.781 10.225 1.00 0.00 H new ATOM 922 N ASP A 63 -1.448 -5.511 9.481 1.00 0.00 N ATOM 923 CA ASP A 63 -2.692 -4.766 9.633 1.00 0.00 C ATOM 924 C ASP A 63 -3.147 -4.189 8.296 1.00 0.00 C ATOM 925 O ASP A 63 -2.357 -4.069 7.358 1.00 0.00 O ATOM 926 CB ASP A 63 -2.517 -3.642 10.655 1.00 0.00 C ATOM 927 CG ASP A 63 -2.771 -4.106 12.076 1.00 0.00 C ATOM 928 OD1 ASP A 63 -3.947 -4.113 12.497 1.00 0.00 O ATOM 929 OD2 ASP A 63 -1.794 -4.463 12.766 1.00 0.00 O ATOM 0 H ASP A 63 -0.675 -4.967 9.098 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.458 -5.455 9.990 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.505 -3.243 10.582 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.200 -2.827 10.415 1.00 0.00 H new ATOM 934 N THR A 64 -4.425 -3.833 8.214 1.00 0.00 N ATOM 935 CA THR A 64 -4.985 -3.270 6.992 1.00 0.00 C ATOM 936 C THR A 64 -4.662 -1.785 6.872 1.00 0.00 C ATOM 937 O THR A 64 -5.276 -1.069 6.081 1.00 0.00 O ATOM 938 CB THR A 64 -6.513 -3.457 6.937 1.00 0.00 C ATOM 939 OG1 THR A 64 -7.054 -3.467 8.263 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.874 -4.753 6.227 1.00 0.00 C ATOM 0 H THR A 64 -5.092 -3.925 8.980 1.00 0.00 H new ATOM 0 HA THR A 64 -4.530 -3.806 6.159 1.00 0.00 H new ATOM 0 HB THR A 64 -6.939 -2.624 6.378 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.026 -3.585 8.219 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.958 -4.864 6.200 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.486 -4.730 5.208 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.437 -5.595 6.763 1.00 0.00 H new ATOM 948 N ARG A 65 -3.694 -1.329 7.660 1.00 0.00 N ATOM 949 CA ARG A 65 -3.290 0.071 7.641 1.00 0.00 C ATOM 950 C ARG A 65 -1.775 0.202 7.772 1.00 0.00 C ATOM 951 O ARG A 65 -1.081 -0.770 8.074 1.00 0.00 O ATOM 952 CB ARG A 65 -3.978 0.838 8.772 1.00 0.00 C ATOM 953 CG ARG A 65 -3.524 0.414 10.159 1.00 0.00 C ATOM 954 CD ARG A 65 -3.605 1.566 11.148 1.00 0.00 C ATOM 955 NE ARG A 65 -3.553 1.104 12.533 1.00 0.00 N ATOM 956 CZ ARG A 65 -3.317 1.905 13.566 1.00 0.00 C ATOM 957 NH1 ARG A 65 -3.113 3.200 13.373 1.00 0.00 N ATOM 958 NH2 ARG A 65 -3.284 1.409 14.797 1.00 0.00 N ATOM 0 H ARG A 65 -3.175 -1.909 8.319 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.593 0.497 6.685 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.786 1.904 8.646 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.056 0.696 8.693 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.143 -0.412 10.509 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.499 0.046 10.111 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.783 2.258 10.966 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.530 2.119 10.985 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.706 0.112 12.717 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.137 3.585 12.429 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.932 3.812 14.169 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.440 0.413 14.950 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.103 2.024 15.590 1.00 0.00 H new ATOM 972 N PHE A 66 -1.268 1.408 7.542 1.00 0.00 N ATOM 973 CA PHE A 66 0.164 1.666 7.633 1.00 0.00 C ATOM 974 C PHE A 66 0.451 3.164 7.597 1.00 0.00 C ATOM 975 O PHE A 66 -0.404 3.963 7.213 1.00 0.00 O ATOM 976 CB PHE A 66 0.903 0.966 6.490 1.00 0.00 C ATOM 977 CG PHE A 66 2.396 0.956 6.658 1.00 0.00 C ATOM 978 CD1 PHE A 66 3.014 -0.029 7.412 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.180 1.931 6.064 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.388 -0.041 7.568 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.553 1.924 6.216 1.00 0.00 C ATOM 982 CZ PHE A 66 5.158 0.937 6.970 1.00 0.00 C ATOM 0 H PHE A 66 -1.828 2.223 7.291 1.00 0.00 H new ATOM 0 HA PHE A 66 0.519 1.269 8.584 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.547 -0.061 6.413 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.654 1.460 5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.416 -0.795 7.883 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.712 2.706 5.475 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.858 -0.814 8.157 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.153 2.689 5.746 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.231 0.930 7.092 1.00 0.00 H new ATOM 992 N THR A 67 1.661 3.539 8.001 1.00 0.00 N ATOM 993 CA THR A 67 2.061 4.940 8.017 1.00 0.00 C ATOM 994 C THR A 67 3.464 5.118 7.449 1.00 0.00 C ATOM 995 O THR A 67 4.449 4.695 8.055 1.00 0.00 O ATOM 996 CB THR A 67 2.021 5.519 9.444 1.00 0.00 C ATOM 997 OG1 THR A 67 0.763 5.219 10.059 1.00 0.00 O ATOM 998 CG2 THR A 67 2.234 7.025 9.423 1.00 0.00 C ATOM 0 H THR A 67 2.381 2.891 8.321 1.00 0.00 H new ATOM 0 HA THR A 67 1.348 5.479 7.393 1.00 0.00 H new ATOM 0 HB THR A 67 2.825 5.062 10.021 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.746 5.589 10.966 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.202 7.411 10.442 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.205 7.249 8.981 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.448 7.495 8.832 1.00 0.00 H new ATOM 1006 N LEU A 68 3.549 5.747 6.282 1.00 0.00 N ATOM 1007 CA LEU A 68 4.833 5.982 5.631 1.00 0.00 C ATOM 1008 C LEU A 68 5.686 6.952 6.442 1.00 0.00 C ATOM 1009 O LEU A 68 5.208 7.570 7.394 1.00 0.00 O ATOM 1010 CB LEU A 68 4.619 6.531 4.219 1.00 0.00 C ATOM 1011 CG LEU A 68 4.016 5.559 3.205 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.392 4.126 3.550 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.504 5.717 3.147 1.00 0.00 C ATOM 0 H LEU A 68 2.744 6.103 5.767 1.00 0.00 H new ATOM 0 HA LEU A 68 5.359 5.030 5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.970 7.404 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.579 6.875 3.835 1.00 0.00 H new ATOM 0 HG LEU A 68 4.423 5.793 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.954 3.448 2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.477 4.021 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.015 3.880 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.093 5.017 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.079 5.511 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.256 6.736 2.850 1.00 0.00 H new ATOM 1025 N THR A 69 6.952 7.082 6.059 1.00 0.00 N ATOM 1026 CA THR A 69 7.872 7.977 6.750 1.00 0.00 C ATOM 1027 C THR A 69 9.049 8.353 5.857 1.00 0.00 C ATOM 1028 O THR A 69 9.314 7.693 4.853 1.00 0.00 O ATOM 1029 CB THR A 69 8.408 7.341 8.046 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.224 6.206 7.733 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.264 6.914 8.953 1.00 0.00 C ATOM 0 H THR A 69 7.364 6.578 5.273 1.00 0.00 H new ATOM 0 HA THR A 69 7.309 8.876 7.001 1.00 0.00 H new ATOM 0 HB THR A 69 9.007 8.086 8.570 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.563 5.808 8.562 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.667 6.468 9.862 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.661 7.784 9.213 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.642 6.184 8.435 1.00 0.00 H new ATOM 1039 N GLY A 70 9.752 9.418 6.229 1.00 0.00 N ATOM 1040 CA GLY A 70 10.893 9.863 5.450 1.00 0.00 C ATOM 1041 C GLY A 70 10.492 10.410 4.095 1.00 0.00 C ATOM 1042 O GLY A 70 11.205 10.225 3.107 1.00 0.00 O ATOM 0 H GLY A 70 9.552 9.981 7.056 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.430 10.633 6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.582 9.030 5.313 1.00 0.00 H new ATOM 1046 N LEU A 71 9.349 11.084 4.045 1.00 0.00 N ATOM 1047 CA LEU A 71 8.853 11.659 2.800 1.00 0.00 C ATOM 1048 C LEU A 71 8.987 13.178 2.810 1.00 0.00 C ATOM 1049 O LEU A 71 9.104 13.795 3.869 1.00 0.00 O ATOM 1050 CB LEU A 71 7.391 11.266 2.580 1.00 0.00 C ATOM 1051 CG LEU A 71 6.982 9.886 3.095 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.473 9.805 3.267 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.472 8.798 2.150 1.00 0.00 C ATOM 0 H LEU A 71 8.748 11.246 4.853 1.00 0.00 H new ATOM 0 HA LEU A 71 9.456 11.265 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.759 12.013 3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.181 11.310 1.511 1.00 0.00 H new ATOM 0 HG LEU A 71 7.446 9.731 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.201 8.815 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.147 10.560 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.987 9.982 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.172 7.822 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.037 8.951 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.559 8.841 2.078 1.00 0.00 H new ATOM 1065 N LYS A 72 8.967 13.777 1.624 1.00 0.00 N ATOM 1066 CA LYS A 72 9.083 15.225 1.495 1.00 0.00 C ATOM 1067 C LYS A 72 7.706 15.880 1.468 1.00 0.00 C ATOM 1068 O LYS A 72 6.754 15.357 0.890 1.00 0.00 O ATOM 1069 CB LYS A 72 9.855 15.584 0.223 1.00 0.00 C ATOM 1070 CG LYS A 72 9.924 17.077 -0.045 1.00 0.00 C ATOM 1071 CD LYS A 72 10.243 17.368 -1.502 1.00 0.00 C ATOM 1072 CE LYS A 72 11.703 17.085 -1.821 1.00 0.00 C ATOM 1073 NZ LYS A 72 12.189 17.900 -2.968 1.00 0.00 N ATOM 0 H LYS A 72 8.871 13.282 0.738 1.00 0.00 H new ATOM 0 HA LYS A 72 9.628 15.600 2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.868 15.190 0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.385 15.092 -0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.973 17.539 0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.685 17.527 0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.605 16.760 -2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.017 18.411 -1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.314 17.294 -0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.826 16.026 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.188 17.678 -3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.623 17.682 -3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.096 18.910 -2.740 1.00 0.00 H new ATOM 1087 N PRO A 73 7.597 17.054 2.108 1.00 0.00 N ATOM 1088 CA PRO A 73 6.340 17.808 2.170 1.00 0.00 C ATOM 1089 C PRO A 73 5.950 18.396 0.818 1.00 0.00 C ATOM 1090 O PRO A 73 6.810 18.769 0.021 1.00 0.00 O ATOM 1091 CB PRO A 73 6.646 18.925 3.171 1.00 0.00 C ATOM 1092 CG PRO A 73 8.124 19.101 3.103 1.00 0.00 C ATOM 1093 CD PRO A 73 8.691 17.737 2.819 1.00 0.00 C ATOM 0 HA PRO A 73 5.499 17.177 2.458 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.125 19.846 2.908 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.326 18.654 4.177 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.397 19.808 2.320 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.513 19.498 4.041 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.592 17.796 2.209 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.961 17.215 3.737 1.00 0.00 H new ATOM 1101 N ASP A 74 4.648 18.476 0.567 1.00 0.00 N ATOM 1102 CA ASP A 74 4.143 19.020 -0.688 1.00 0.00 C ATOM 1103 C ASP A 74 4.703 18.249 -1.879 1.00 0.00 C ATOM 1104 O ASP A 74 5.178 18.842 -2.849 1.00 0.00 O ATOM 1105 CB ASP A 74 4.504 20.502 -0.807 1.00 0.00 C ATOM 1106 CG ASP A 74 3.922 21.141 -2.053 1.00 0.00 C ATOM 1107 OD1 ASP A 74 2.824 20.723 -2.477 1.00 0.00 O ATOM 1108 OD2 ASP A 74 4.564 22.059 -2.604 1.00 0.00 O ATOM 0 H ASP A 74 3.923 18.171 1.216 1.00 0.00 H new ATOM 0 HA ASP A 74 3.058 18.917 -0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.142 21.033 0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.589 20.609 -0.820 1.00 0.00 H new ATOM 1113 N THR A 75 4.646 16.924 -1.799 1.00 0.00 N ATOM 1114 CA THR A 75 5.150 16.071 -2.869 1.00 0.00 C ATOM 1115 C THR A 75 4.298 14.816 -3.019 1.00 0.00 C ATOM 1116 O THR A 75 3.998 14.135 -2.037 1.00 0.00 O ATOM 1117 CB THR A 75 6.612 15.659 -2.617 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.474 16.792 -2.769 1.00 0.00 O ATOM 1119 CG2 THR A 75 7.038 14.559 -3.578 1.00 0.00 C ATOM 0 H THR A 75 4.256 16.417 -1.004 1.00 0.00 H new ATOM 0 HA THR A 75 5.098 16.653 -3.789 1.00 0.00 H new ATOM 0 HB THR A 75 6.688 15.279 -1.598 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.103 16.628 -3.502 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.074 14.285 -3.381 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.399 13.687 -3.439 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.946 14.916 -4.604 1.00 0.00 H new ATOM 1127 N THR A 76 3.911 14.513 -4.254 1.00 0.00 N ATOM 1128 CA THR A 76 3.093 13.339 -4.533 1.00 0.00 C ATOM 1129 C THR A 76 3.881 12.054 -4.304 1.00 0.00 C ATOM 1130 O THR A 76 5.029 11.934 -4.731 1.00 0.00 O ATOM 1131 CB THR A 76 2.564 13.353 -5.979 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.817 14.552 -6.216 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.685 12.141 -6.245 1.00 0.00 C ATOM 0 H THR A 76 4.151 15.065 -5.078 1.00 0.00 H new ATOM 0 HA THR A 76 2.248 13.372 -3.845 1.00 0.00 H new ATOM 0 HB THR A 76 3.418 13.318 -6.655 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.486 14.554 -7.138 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.323 12.173 -7.273 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.265 11.231 -6.092 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.836 12.150 -5.561 1.00 0.00 H new ATOM 1141 N TYR A 77 3.256 11.095 -3.630 1.00 0.00 N ATOM 1142 CA TYR A 77 3.899 9.818 -3.343 1.00 0.00 C ATOM 1143 C TYR A 77 3.000 8.653 -3.744 1.00 0.00 C ATOM 1144 O TYR A 77 2.024 8.343 -3.060 1.00 0.00 O ATOM 1145 CB TYR A 77 4.247 9.721 -1.857 1.00 0.00 C ATOM 1146 CG TYR A 77 5.576 10.349 -1.503 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.763 9.643 -1.658 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.645 11.647 -1.013 1.00 0.00 C ATOM 1149 CE1 TYR A 77 7.980 10.213 -1.336 1.00 0.00 C ATOM 1150 CE2 TYR A 77 6.857 12.225 -0.690 1.00 0.00 C ATOM 1151 CZ TYR A 77 8.022 11.504 -0.853 1.00 0.00 C ATOM 1152 OH TYR A 77 9.231 12.076 -0.530 1.00 0.00 O ATOM 0 H TYR A 77 2.304 11.178 -3.272 1.00 0.00 H new ATOM 0 HA TYR A 77 4.817 9.763 -3.928 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.461 10.203 -1.276 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.261 8.671 -1.564 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.734 8.632 -2.036 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.735 12.214 -0.882 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.893 9.650 -1.462 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.893 13.236 -0.312 1.00 0.00 H new ATOM 0 HH TYR A 77 9.370 12.877 -1.077 1.00 0.00 H new ATOM 1162 N ASP A 78 3.336 8.011 -4.858 1.00 0.00 N ATOM 1163 CA ASP A 78 2.561 6.878 -5.351 1.00 0.00 C ATOM 1164 C ASP A 78 2.563 5.737 -4.338 1.00 0.00 C ATOM 1165 O ASP A 78 3.508 4.950 -4.277 1.00 0.00 O ATOM 1166 CB ASP A 78 3.123 6.392 -6.687 1.00 0.00 C ATOM 1167 CG ASP A 78 2.531 5.064 -7.115 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.628 4.091 -6.337 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.968 4.997 -8.228 1.00 0.00 O ATOM 0 H ASP A 78 4.140 8.256 -5.436 1.00 0.00 H new ATOM 0 HA ASP A 78 1.533 7.208 -5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.924 7.140 -7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.206 6.295 -6.609 1.00 0.00 H new ATOM 1174 N ILE A 79 1.499 5.654 -3.546 1.00 0.00 N ATOM 1175 CA ILE A 79 1.378 4.609 -2.537 1.00 0.00 C ATOM 1176 C ILE A 79 0.306 3.595 -2.922 1.00 0.00 C ATOM 1177 O ILE A 79 -0.812 3.962 -3.281 1.00 0.00 O ATOM 1178 CB ILE A 79 1.039 5.198 -1.155 1.00 0.00 C ATOM 1179 CG1 ILE A 79 2.073 6.255 -0.759 1.00 0.00 C ATOM 1180 CG2 ILE A 79 0.975 4.094 -0.110 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.506 7.361 0.103 1.00 0.00 C ATOM 0 H ILE A 79 0.709 6.298 -3.584 1.00 0.00 H new ATOM 0 HA ILE A 79 2.345 4.109 -2.483 1.00 0.00 H new ATOM 0 HB ILE A 79 0.061 5.676 -1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.889 5.770 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.499 6.691 -1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.735 4.526 0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.205 3.374 -0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.940 3.590 -0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.294 8.074 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.709 7.871 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.106 6.936 1.023 1.00 0.00 H new ATOM 1193 N LYS A 80 0.655 2.315 -2.842 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.276 1.245 -3.178 1.00 0.00 C ATOM 1195 C LYS A 80 -0.240 0.142 -2.126 1.00 0.00 C ATOM 1196 O LYS A 80 0.462 0.251 -1.121 1.00 0.00 O ATOM 1197 CB LYS A 80 0.058 0.664 -4.554 1.00 0.00 C ATOM 1198 CG LYS A 80 1.547 0.608 -4.846 1.00 0.00 C ATOM 1199 CD LYS A 80 1.831 0.760 -6.331 1.00 0.00 C ATOM 1200 CE LYS A 80 1.551 -0.531 -7.086 1.00 0.00 C ATOM 1201 NZ LYS A 80 1.947 -0.432 -8.518 1.00 0.00 N ATOM 0 H LYS A 80 1.577 1.994 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.281 1.666 -3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.355 -0.342 -4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.432 1.264 -5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.057 1.398 -4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.952 -0.340 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.217 1.563 -6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.872 1.049 -6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.092 -1.352 -6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.489 -0.769 -7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.741 -1.331 -8.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.412 0.335 -8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.965 -0.230 -8.583 1.00 0.00 H new ATOM 1215 N VAL A 81 -1.001 -0.922 -2.364 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.054 -2.047 -1.438 1.00 0.00 C ATOM 1217 C VAL A 81 -1.399 -3.342 -2.165 1.00 0.00 C ATOM 1218 O VAL A 81 -1.915 -3.319 -3.283 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.088 -1.807 -0.322 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.453 -2.336 -0.735 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.629 -2.451 0.977 1.00 0.00 C ATOM 0 H VAL A 81 -1.589 -1.028 -3.190 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.063 -2.137 -0.992 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.176 -0.733 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.170 -2.157 0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.784 -1.824 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.385 -3.406 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.372 -2.271 1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.511 -3.524 0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.675 -2.019 1.280 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.111 -4.469 -1.523 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.390 -5.775 -2.109 1.00 0.00 C ATOM 1233 C ARG A 82 -1.468 -6.850 -1.030 1.00 0.00 C ATOM 1234 O ARG A 82 -0.599 -6.937 -0.163 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.311 -6.140 -3.131 1.00 0.00 C ATOM 1236 CG ARG A 82 1.068 -6.329 -2.519 1.00 0.00 C ATOM 1237 CD ARG A 82 2.068 -6.839 -3.545 1.00 0.00 C ATOM 1238 NE ARG A 82 3.426 -6.881 -3.011 1.00 0.00 N ATOM 1239 CZ ARG A 82 4.516 -6.857 -3.771 1.00 0.00 C ATOM 1240 NH1 ARG A 82 4.406 -6.789 -5.090 1.00 0.00 N ATOM 1241 NH2 ARG A 82 5.718 -6.899 -3.211 1.00 0.00 N ATOM 0 H ARG A 82 -0.685 -4.504 -0.597 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.355 -5.720 -2.613 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.602 -7.058 -3.642 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.259 -5.357 -3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.418 -5.382 -2.108 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.006 -7.033 -1.689 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.776 -7.837 -3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.044 -6.196 -4.425 1.00 0.00 H new ATOM 0 HE ARG A 82 3.545 -6.932 -1.999 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.483 -6.755 -5.524 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.244 -6.771 -5.671 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.806 -6.950 -2.196 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.554 -6.881 -3.795 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.516 -7.665 -1.089 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.707 -8.735 -0.117 1.00 0.00 C ATOM 1257 C ALA A 83 -1.764 -9.901 -0.393 1.00 0.00 C ATOM 1258 O ALA A 83 -1.361 -10.130 -1.533 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.153 -9.208 -0.131 1.00 0.00 C ATOM 0 H ALA A 83 -3.246 -7.605 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.475 -8.340 0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.282 -10.007 0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.810 -8.376 0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.404 -9.580 -1.124 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.415 -10.635 0.658 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.518 -11.778 0.529 1.00 0.00 C ATOM 1267 C TRP A 84 -1.150 -13.035 1.117 1.00 0.00 C ATOM 1268 O TRP A 84 -1.940 -12.963 2.059 1.00 0.00 O ATOM 1269 CB TRP A 84 0.813 -11.488 1.223 1.00 0.00 C ATOM 1270 CG TRP A 84 1.679 -10.524 0.470 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.432 -9.198 0.253 1.00 0.00 C ATOM 1272 CD2 TRP A 84 2.928 -10.811 -0.167 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.453 -8.644 -0.481 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.384 -9.613 -0.750 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.708 -11.963 -0.300 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.582 -9.537 -1.455 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 4.897 -11.886 -1.000 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.325 -10.680 -1.570 1.00 0.00 C ATOM 0 H TRP A 84 -1.740 -10.459 1.609 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.336 -11.948 -0.532 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.616 -11.088 2.218 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.356 -12.424 1.358 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.562 -8.664 0.606 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.509 -7.670 -0.778 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.387 -12.897 0.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.913 -8.608 -1.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.507 -12.771 -1.110 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.260 -10.652 -2.111 1.00 0.00 H new ATOM 1289 N THR A 85 -0.797 -14.187 0.557 1.00 0.00 N ATOM 1290 CA THR A 85 -1.330 -15.460 1.025 1.00 0.00 C ATOM 1291 C THR A 85 -0.209 -16.410 1.432 1.00 0.00 C ATOM 1292 O THR A 85 0.953 -16.199 1.083 1.00 0.00 O ATOM 1293 CB THR A 85 -2.196 -16.138 -0.053 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.513 -16.122 -1.311 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.538 -15.435 -0.190 1.00 0.00 C ATOM 0 H THR A 85 -0.143 -14.265 -0.222 1.00 0.00 H new ATOM 0 HA THR A 85 -1.951 -15.241 1.894 1.00 0.00 H new ATOM 0 HB THR A 85 -2.374 -17.170 0.251 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.884 -16.872 -1.351 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.132 -15.932 -0.957 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.068 -15.474 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.377 -14.395 -0.473 1.00 0.00 H new ATOM 1303 N SER A 86 -0.564 -17.456 2.170 1.00 0.00 N ATOM 1304 CA SER A 86 0.413 -18.437 2.626 1.00 0.00 C ATOM 1305 C SER A 86 1.293 -18.905 1.471 1.00 0.00 C ATOM 1306 O SER A 86 2.406 -19.390 1.679 1.00 0.00 O ATOM 1307 CB SER A 86 -0.294 -19.636 3.261 1.00 0.00 C ATOM 1308 OG SER A 86 0.536 -20.785 3.245 1.00 0.00 O ATOM 0 H SER A 86 -1.522 -17.646 2.465 1.00 0.00 H new ATOM 0 HA SER A 86 1.047 -17.960 3.374 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.570 -19.397 4.288 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.219 -19.844 2.723 1.00 0.00 H new ATOM 0 HG SER A 86 0.062 -21.537 3.658 1.00 0.00 H new ATOM 1314 N LYS A 87 0.787 -18.756 0.252 1.00 0.00 N ATOM 1315 CA LYS A 87 1.525 -19.161 -0.939 1.00 0.00 C ATOM 1316 C LYS A 87 2.537 -18.092 -1.341 1.00 0.00 C ATOM 1317 O LYS A 87 3.741 -18.342 -1.364 1.00 0.00 O ATOM 1318 CB LYS A 87 0.560 -19.426 -2.097 1.00 0.00 C ATOM 1319 CG LYS A 87 -0.189 -20.742 -1.975 1.00 0.00 C ATOM 1320 CD LYS A 87 -1.503 -20.569 -1.232 1.00 0.00 C ATOM 1321 CE LYS A 87 -2.398 -21.788 -1.391 1.00 0.00 C ATOM 1322 NZ LYS A 87 -3.485 -21.815 -0.374 1.00 0.00 N ATOM 0 H LYS A 87 -0.132 -18.357 0.062 1.00 0.00 H new ATOM 0 HA LYS A 87 2.065 -20.079 -0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.161 -18.611 -2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.119 -19.421 -3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.382 -21.145 -2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.433 -21.468 -1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.304 -20.398 -0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.020 -19.685 -1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.835 -21.790 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.797 -22.693 -1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.073 -22.661 -0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.069 -21.839 0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.074 -20.964 -0.473 1.00 0.00 H new ATOM 1336 N GLY A 88 2.039 -16.900 -1.656 1.00 0.00 N ATOM 1337 CA GLY A 88 2.914 -15.812 -2.052 1.00 0.00 C ATOM 1338 C GLY A 88 2.205 -14.472 -2.059 1.00 0.00 C ATOM 1339 O GLY A 88 1.677 -14.036 -1.037 1.00 0.00 O ATOM 0 H GLY A 88 1.046 -16.669 -1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.764 -15.767 -1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.313 -16.014 -3.046 1.00 0.00 H new ATOM 1343 N SER A 89 2.195 -13.816 -3.215 1.00 0.00 N ATOM 1344 CA SER A 89 1.550 -12.515 -3.350 1.00 0.00 C ATOM 1345 C SER A 89 0.598 -12.502 -4.542 1.00 0.00 C ATOM 1346 O SER A 89 0.494 -13.481 -5.279 1.00 0.00 O ATOM 1347 CB SER A 89 2.602 -11.416 -3.511 1.00 0.00 C ATOM 1348 OG SER A 89 3.239 -11.499 -4.774 1.00 0.00 O ATOM 0 H SER A 89 2.626 -14.164 -4.071 1.00 0.00 H new ATOM 0 HA SER A 89 0.973 -12.327 -2.445 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.131 -10.439 -3.402 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.346 -11.502 -2.719 1.00 0.00 H new ATOM 0 HG SER A 89 3.905 -10.785 -4.852 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.096 -11.382 -4.725 1.00 0.00 N ATOM 1355 CA GLY A 90 -1.031 -11.260 -5.828 1.00 0.00 C ATOM 1356 C GLY A 90 -0.855 -9.966 -6.597 1.00 0.00 C ATOM 1357 O GLY A 90 0.260 -9.479 -6.788 1.00 0.00 O ATOM 0 H GLY A 90 -0.027 -10.557 -4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.900 -12.103 -6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.050 -11.315 -5.444 1.00 0.00 H new ATOM 1361 N PRO A 91 -1.976 -9.388 -7.054 1.00 0.00 N ATOM 1362 CA PRO A 91 -1.966 -8.135 -7.815 1.00 0.00 C ATOM 1363 C PRO A 91 -1.583 -6.937 -6.954 1.00 0.00 C ATOM 1364 O PRO A 91 -1.446 -7.053 -5.735 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.412 -8.004 -8.301 1.00 0.00 C ATOM 1366 CG PRO A 91 -4.215 -8.777 -7.312 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.338 -9.913 -6.864 1.00 0.00 C ATOM 0 HA PRO A 91 -1.231 -8.153 -8.620 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.725 -6.960 -8.336 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.530 -8.406 -9.307 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.503 -8.150 -6.468 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.136 -9.149 -7.762 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.525 -10.179 -5.823 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.509 -10.811 -7.458 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.412 -5.785 -7.594 1.00 0.00 N ATOM 1376 CA LEU A 92 -1.044 -4.564 -6.885 1.00 0.00 C ATOM 1377 C LEU A 92 -2.146 -3.515 -7.001 1.00 0.00 C ATOM 1378 O LEU A 92 -2.531 -3.124 -8.103 1.00 0.00 O ATOM 1379 CB LEU A 92 0.268 -4.005 -7.439 1.00 0.00 C ATOM 1380 CG LEU A 92 1.545 -4.479 -6.744 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.750 -4.283 -7.651 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.741 -3.742 -5.427 1.00 0.00 C ATOM 0 H LEU A 92 -1.522 -5.671 -8.602 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.911 -4.810 -5.832 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.334 -4.267 -8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.229 -2.917 -7.382 1.00 0.00 H new ATOM 0 HG LEU A 92 1.446 -5.543 -6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.650 -4.626 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.613 -4.857 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.853 -3.226 -7.896 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.655 -4.092 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.818 -2.672 -5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.891 -3.934 -4.773 1.00 0.00 H new ATOM 1394 N SER A 93 -2.648 -3.063 -5.856 1.00 0.00 N ATOM 1395 CA SER A 93 -3.706 -2.060 -5.829 1.00 0.00 C ATOM 1396 C SER A 93 -3.276 -0.795 -6.565 1.00 0.00 C ATOM 1397 O SER A 93 -2.089 -0.493 -6.691 1.00 0.00 O ATOM 1398 CB SER A 93 -4.079 -1.721 -4.384 1.00 0.00 C ATOM 1399 OG SER A 93 -3.234 -0.709 -3.863 1.00 0.00 O ATOM 0 H SER A 93 -2.339 -3.375 -4.935 1.00 0.00 H new ATOM 0 HA SER A 93 -4.578 -2.474 -6.335 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.117 -1.390 -4.341 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.004 -2.616 -3.766 1.00 0.00 H new ATOM 0 HG SER A 93 -3.477 0.155 -4.257 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.263 -0.037 -7.065 1.00 0.00 N ATOM 1406 CA PRO A 94 -4.012 1.208 -7.797 1.00 0.00 C ATOM 1407 C PRO A 94 -3.486 2.317 -6.892 1.00 0.00 C ATOM 1408 O PRO A 94 -4.173 2.757 -5.970 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.391 1.578 -8.350 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.358 0.932 -7.419 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.700 -0.337 -6.953 1.00 0.00 C ATOM 0 HA PRO A 94 -3.249 1.082 -8.565 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.530 2.659 -8.377 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.519 1.214 -9.369 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.585 1.586 -6.577 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.302 0.720 -7.922 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -5.981 -0.582 -5.929 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.983 -1.187 -7.573 1.00 0.00 H new ATOM 1419 N SER A 95 -2.264 2.765 -7.162 1.00 0.00 N ATOM 1420 CA SER A 95 -1.645 3.820 -6.369 1.00 0.00 C ATOM 1421 C SER A 95 -2.584 5.014 -6.226 1.00 0.00 C ATOM 1422 O SER A 95 -3.354 5.324 -7.136 1.00 0.00 O ATOM 1423 CB SER A 95 -0.330 4.265 -7.012 1.00 0.00 C ATOM 1424 OG SER A 95 -0.354 4.064 -8.415 1.00 0.00 O ATOM 0 H SER A 95 -1.683 2.414 -7.924 1.00 0.00 H new ATOM 0 HA SER A 95 -1.439 3.421 -5.376 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.154 5.319 -6.795 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.499 3.707 -6.576 1.00 0.00 H new ATOM 0 HG SER A 95 0.461 4.435 -8.813 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.514 5.680 -5.079 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.356 6.841 -4.816 1.00 0.00 C ATOM 1432 C ILE A 96 -2.588 8.139 -5.038 1.00 0.00 C ATOM 1433 O ILE A 96 -3.179 9.180 -5.324 1.00 0.00 O ATOM 1434 CB ILE A 96 -3.908 6.822 -3.379 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.816 6.393 -2.396 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -5.109 5.893 -3.284 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -3.247 6.461 -0.947 1.00 0.00 C ATOM 0 H ILE A 96 -1.883 5.436 -4.316 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.190 6.792 -5.517 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.232 7.829 -3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.510 5.373 -2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.942 7.028 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.487 5.891 -2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.891 6.239 -3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.810 4.882 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.424 6.143 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.526 7.485 -0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.103 5.804 -0.791 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.267 8.069 -4.905 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.418 9.239 -5.092 1.00 0.00 C ATOM 1451 C GLN A 97 -0.745 10.318 -4.065 1.00 0.00 C ATOM 1452 O GLN A 97 -0.952 11.480 -4.416 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.585 9.797 -6.506 1.00 0.00 C ATOM 1454 CG GLN A 97 0.385 9.202 -7.514 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.198 9.125 -8.911 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.665 10.125 -9.457 1.00 0.00 O ATOM 1457 NE2 GLN A 97 -0.173 7.935 -9.499 1.00 0.00 N ATOM 0 H GLN A 97 -0.762 7.215 -4.669 1.00 0.00 H new ATOM 0 HA GLN A 97 0.618 8.931 -4.951 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.605 9.611 -6.843 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.450 10.878 -6.479 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.294 9.804 -7.537 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.673 8.202 -7.189 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.224 7.133 -9.010 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.550 7.823 -10.440 1.00 0.00 H new ATOM 1466 N SER A 98 -0.789 9.927 -2.796 1.00 0.00 N ATOM 1467 CA SER A 98 -1.095 10.860 -1.718 1.00 0.00 C ATOM 1468 C SER A 98 0.073 11.812 -1.476 1.00 0.00 C ATOM 1469 O SER A 98 1.125 11.409 -0.981 1.00 0.00 O ATOM 1470 CB SER A 98 -1.420 10.098 -0.432 1.00 0.00 C ATOM 1471 OG SER A 98 -2.320 10.831 0.381 1.00 0.00 O ATOM 0 H SER A 98 -0.617 8.970 -2.489 1.00 0.00 H new ATOM 0 HA SER A 98 -1.965 11.446 -2.014 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.855 9.129 -0.679 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.501 9.903 0.121 1.00 0.00 H new ATOM 0 HG SER A 98 -3.228 10.482 0.261 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.122 13.078 -1.831 1.00 0.00 N ATOM 1478 CA ARG A 99 0.914 14.089 -1.654 1.00 0.00 C ATOM 1479 C ARG A 99 0.912 14.626 -0.226 1.00 0.00 C ATOM 1480 O ARG A 99 -0.054 15.253 0.212 1.00 0.00 O ATOM 1481 CB ARG A 99 0.709 15.238 -2.643 1.00 0.00 C ATOM 1482 CG ARG A 99 1.498 16.490 -2.295 1.00 0.00 C ATOM 1483 CD ARG A 99 1.241 17.607 -3.294 1.00 0.00 C ATOM 1484 NE ARG A 99 -0.024 18.290 -3.037 1.00 0.00 N ATOM 1485 CZ ARG A 99 -1.190 17.888 -3.531 1.00 0.00 C ATOM 1486 NH1 ARG A 99 -1.251 16.812 -4.304 1.00 0.00 N ATOM 1487 NH2 ARG A 99 -2.298 18.562 -3.252 1.00 0.00 N ATOM 0 H ARG A 99 -0.987 13.428 -2.243 1.00 0.00 H new ATOM 0 HA ARG A 99 1.880 13.621 -1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.996 14.903 -3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.352 15.487 -2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.226 16.826 -1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.562 16.256 -2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.058 18.328 -3.250 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.233 17.196 -4.303 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.012 19.121 -2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.401 16.291 -4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.148 16.506 -4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.255 19.390 -2.658 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.193 18.252 -3.632 1.00 0.00 H new ATOM 1501 N THR A 100 1.999 14.376 0.497 1.00 0.00 N ATOM 1502 CA THR A 100 2.122 14.832 1.875 1.00 0.00 C ATOM 1503 C THR A 100 1.561 16.240 2.041 1.00 0.00 C ATOM 1504 O THR A 100 1.416 16.979 1.067 1.00 0.00 O ATOM 1505 CB THR A 100 3.590 14.820 2.342 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.388 15.631 1.473 1.00 0.00 O ATOM 1507 CG2 THR A 100 4.139 13.401 2.364 1.00 0.00 C ATOM 0 H THR A 100 2.807 13.860 0.150 1.00 0.00 H new ATOM 0 HA THR A 100 1.547 14.139 2.489 1.00 0.00 H new ATOM 0 HB THR A 100 3.629 15.225 3.353 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.149 15.108 1.145 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.177 13.418 2.697 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.548 12.793 3.049 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.086 12.975 1.362 1.00 0.00 H new ATOM 1515 N MET A 101 1.247 16.605 3.280 1.00 0.00 N ATOM 1516 CA MET A 101 0.702 17.926 3.572 1.00 0.00 C ATOM 1517 C MET A 101 1.732 19.014 3.286 1.00 0.00 C ATOM 1518 O MET A 101 2.900 18.911 3.663 1.00 0.00 O ATOM 1519 CB MET A 101 0.253 18.004 5.032 1.00 0.00 C ATOM 1520 CG MET A 101 1.341 18.485 5.978 1.00 0.00 C ATOM 1521 SD MET A 101 0.709 18.880 7.620 1.00 0.00 S ATOM 1522 CE MET A 101 0.138 17.271 8.160 1.00 0.00 C ATOM 0 H MET A 101 1.360 16.005 4.097 1.00 0.00 H new ATOM 0 HA MET A 101 -0.160 18.087 2.925 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.603 18.675 5.105 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.086 17.019 5.352 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.109 17.716 6.064 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.820 19.368 5.555 1.00 0.00 H new ATOM 0 HE1 MET A 101 -0.737 17.391 8.799 1.00 0.00 H new ATOM 0 HE2 MET A 101 -0.128 16.669 7.291 1.00 0.00 H new ATOM 0 HE3 MET A 101 0.930 16.772 8.719 1.00 0.00 H new ATOM 1532 N PRO A 102 1.293 20.082 2.604 1.00 0.00 N ATOM 1533 CA PRO A 102 2.161 21.209 2.253 1.00 0.00 C ATOM 1534 C PRO A 102 2.565 22.031 3.472 1.00 0.00 C ATOM 1535 O PRO A 102 1.900 23.005 3.825 1.00 0.00 O ATOM 1536 CB PRO A 102 1.294 22.044 1.308 1.00 0.00 C ATOM 1537 CG PRO A 102 -0.108 21.709 1.685 1.00 0.00 C ATOM 1538 CD PRO A 102 -0.086 20.271 2.124 1.00 0.00 C ATOM 0 HA PRO A 102 3.100 20.877 1.810 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.492 23.109 1.426 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.493 21.797 0.265 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.462 22.357 2.487 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.783 21.849 0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.815 20.080 2.911 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.321 19.596 1.301 1.00 0.00 H new ATOM 1546 N VAL A 103 3.660 21.633 4.112 1.00 0.00 N ATOM 1547 CA VAL A 103 4.153 22.334 5.292 1.00 0.00 C ATOM 1548 C VAL A 103 3.863 23.828 5.204 1.00 0.00 C ATOM 1549 O VAL A 103 4.657 24.595 4.658 1.00 0.00 O ATOM 1550 CB VAL A 103 5.668 22.127 5.475 1.00 0.00 C ATOM 1551 CG1 VAL A 103 6.181 22.943 6.651 1.00 0.00 C ATOM 1552 CG2 VAL A 103 5.985 20.651 5.662 1.00 0.00 C ATOM 0 H VAL A 103 4.222 20.829 3.833 1.00 0.00 H new ATOM 0 HA VAL A 103 3.630 21.915 6.151 1.00 0.00 H new ATOM 0 HB VAL A 103 6.175 22.474 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 103 7.253 22.784 6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.988 24.001 6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.670 22.630 7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.060 20.523 5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 103 5.467 20.277 6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.655 20.094 4.785 1.00 0.00 H new TER 1562 VAL A 103