USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 GLN : amide:sc= -1.86! K(o=-1.9!,f=0) USER MOD Set 2.1: A 71 ASN : amide:sc= -0.496 K(o=-3.1,f=-11!) USER MOD Set 2.2: A 73 ASN : amide:sc= -2.61 K(o=-3.1,f=-13!) USER MOD Set 3.1: A 65 THR OG1 : rot 180:sc= -0.0563 USER MOD Set 3.2: A 68 THR OG1 : rot 91:sc= 0.00919 USER MOD Set 4.1: A 45 SER OG : rot 180:sc= -1.26 USER MOD Set 4.2: A 61 LYS NZ :NH3+ 166:sc= -0.157 (180deg=-0.488) USER MOD Set 5.1: A 53 ASN : amide:sc= -0.591! C(o=-1.9!,f=-11!) USER MOD Set 5.2: A 85 GLN : amide:sc= -1.31! C(o=-1.9!,f=-6.9!) USER MOD Set 6.1: A 15 CYS SG : rot 52:sc= -2.87! USER MOD Set 6.2: A 32 CYS SG : rot -81:sc= -3.76! USER MOD Set 7.1: A 18 GLN : amide:sc= 0 X(o=2.2,f=1.9) USER MOD Set 7.2: A 23 TYR OH : rot 30:sc= 1.03 USER MOD Set 7.3: A 87 TYR OH : rot 16:sc= 1.19 USER MOD Set 8.1: A 13 SER OG : rot -34:sc= 1.22 USER MOD Set 8.2: A 91 THR OG1 : rot 41:sc= 1.1 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.666 K(o=-0.67,f=-9.8!) USER MOD Single : A 9 ASN : amide:sc= -0.954 K(o=-0.95,f=-6.2!) USER MOD Single : A 14 GLN : amide:sc= -0.135 K(o=-0.14,f=-0.7) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0431 K(o=-0.043,f=-1.9!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.983 USER MOD Single : A 26 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.4) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -162:sc=-0.00149 (180deg=-0.106) USER MOD Single : A 34 GLN : amide:sc= -0.455 K(o=-0.46,f=-2.8!) USER MOD Single : A 37 ASN : amide:sc= -3.11! C(o=-3.1!,f=-3!) USER MOD Single : A 40 LYS NZ :NH3+ 150:sc= -0.253 (180deg=-1.26!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.516 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -8.59! C(o=-8.6!,f=-6.6!) USER MOD Single : A 67 SER OG : rot 7:sc= 0.631! USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0879 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -134:sc= -1.99 (180deg=-4.79!) USER MOD Single : A 79 THR OG1 : rot 160:sc= -2.39! USER MOD Single : A 80 ASN : amide:sc= -0.0588 K(o=-0.059,f=-2.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 43.769 4.712 -7.681 1.00 0.00 N ATOM 2 CA GLY A 1 43.573 3.746 -6.511 1.00 0.00 C ATOM 3 C GLY A 1 44.753 3.314 -5.709 1.00 0.00 C ATOM 4 O GLY A 1 45.874 3.330 -6.178 1.00 0.00 O ATOM 0 H1 GLY A 1 42.850 4.907 -8.128 1.00 0.00 H new ATOM 0 H2 GLY A 1 44.180 5.601 -7.332 1.00 0.00 H new ATOM 0 H3 GLY A 1 44.410 4.285 -8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 1 42.862 4.205 -5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 1 43.100 2.847 -6.906 1.00 0.00 H new ATOM 10 N GLY A 2 44.537 2.918 -4.484 1.00 0.00 N ATOM 11 CA GLY A 2 45.677 2.473 -3.631 1.00 0.00 C ATOM 12 C GLY A 2 45.976 0.999 -3.907 1.00 0.00 C ATOM 13 O GLY A 2 46.889 0.426 -3.347 1.00 0.00 O ATOM 0 H GLY A 2 43.621 2.883 -4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 2 46.559 3.079 -3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 2 45.434 2.615 -2.578 1.00 0.00 H new ATOM 17 N SER A 3 45.212 0.379 -4.767 1.00 0.00 N ATOM 18 CA SER A 3 45.450 -1.059 -5.080 1.00 0.00 C ATOM 19 C SER A 3 46.605 -1.179 -6.079 1.00 0.00 C ATOM 20 O SER A 3 46.701 -0.416 -7.018 1.00 0.00 O ATOM 21 CB SER A 3 44.185 -1.664 -5.688 1.00 0.00 C ATOM 22 OG SER A 3 44.340 -3.074 -5.790 1.00 0.00 O ATOM 0 H SER A 3 44.433 0.808 -5.266 1.00 0.00 H new ATOM 0 HA SER A 3 45.704 -1.593 -4.165 1.00 0.00 H new ATOM 0 HB2 SER A 3 43.320 -1.426 -5.069 1.00 0.00 H new ATOM 0 HB3 SER A 3 44.000 -1.235 -6.673 1.00 0.00 H new ATOM 0 HG SER A 3 43.529 -3.465 -6.178 1.00 0.00 H new ATOM 28 N GLY A 4 47.483 -2.133 -5.878 1.00 0.00 N ATOM 29 CA GLY A 4 48.647 -2.316 -6.806 1.00 0.00 C ATOM 30 C GLY A 4 49.938 -2.371 -5.986 1.00 0.00 C ATOM 31 O GLY A 4 50.055 -3.132 -5.046 1.00 0.00 O ATOM 0 H GLY A 4 47.444 -2.798 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 4 48.528 -3.234 -7.382 1.00 0.00 H new ATOM 0 HA3 GLY A 4 48.691 -1.494 -7.521 1.00 0.00 H new ATOM 35 N TRP A 5 50.906 -1.573 -6.334 1.00 0.00 N ATOM 36 CA TRP A 5 52.188 -1.580 -5.574 1.00 0.00 C ATOM 37 C TRP A 5 51.946 -1.066 -4.163 1.00 0.00 C ATOM 38 O TRP A 5 51.515 0.053 -3.965 1.00 0.00 O ATOM 39 CB TRP A 5 53.194 -0.671 -6.281 1.00 0.00 C ATOM 40 CG TRP A 5 54.489 -0.665 -5.534 1.00 0.00 C ATOM 41 CD1 TRP A 5 55.516 -1.517 -5.754 1.00 0.00 C ATOM 42 CD2 TRP A 5 54.913 0.217 -4.455 1.00 0.00 C ATOM 43 NE1 TRP A 5 56.548 -1.207 -4.888 1.00 0.00 N ATOM 44 CE2 TRP A 5 56.224 -0.147 -4.065 1.00 0.00 C ATOM 45 CE3 TRP A 5 54.296 1.289 -3.785 1.00 0.00 C ATOM 46 CZ2 TRP A 5 56.898 0.528 -3.048 1.00 0.00 C ATOM 47 CZ3 TRP A 5 54.971 1.970 -2.758 1.00 0.00 C ATOM 48 CH2 TRP A 5 56.270 1.591 -2.391 1.00 0.00 C ATOM 0 H TRP A 5 50.866 -0.915 -7.112 1.00 0.00 H new ATOM 0 HA TRP A 5 52.580 -2.596 -5.526 1.00 0.00 H new ATOM 0 HB2 TRP A 5 53.355 -1.017 -7.302 1.00 0.00 H new ATOM 0 HB3 TRP A 5 52.798 0.342 -6.347 1.00 0.00 H new ATOM 0 HD1 TRP A 5 55.528 -2.310 -6.487 1.00 0.00 H new ATOM 0 HE1 TRP A 5 57.440 -1.701 -4.860 1.00 0.00 H new ATOM 0 HE3 TRP A 5 53.297 1.591 -4.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 57.899 0.232 -2.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 54.487 2.790 -2.249 1.00 0.00 H new ATOM 0 HH2 TRP A 5 56.785 2.119 -1.602 1.00 0.00 H new ATOM 59 N ASN A 6 52.238 -1.876 -3.175 1.00 0.00 N ATOM 60 CA ASN A 6 52.052 -1.449 -1.759 1.00 0.00 C ATOM 61 C ASN A 6 53.309 -1.792 -0.959 1.00 0.00 C ATOM 62 O ASN A 6 53.263 -1.973 0.241 1.00 0.00 O ATOM 63 CB ASN A 6 50.839 -2.164 -1.152 1.00 0.00 C ATOM 64 CG ASN A 6 51.061 -3.678 -1.196 1.00 0.00 C ATOM 65 OD1 ASN A 6 51.735 -4.178 -2.073 1.00 0.00 O ATOM 66 ND2 ASN A 6 50.517 -4.434 -0.279 1.00 0.00 N ATOM 0 H ASN A 6 52.600 -2.822 -3.293 1.00 0.00 H new ATOM 0 HA ASN A 6 51.880 -0.373 -1.725 1.00 0.00 H new ATOM 0 HB2 ASN A 6 50.689 -1.838 -0.123 1.00 0.00 H new ATOM 0 HB3 ASN A 6 49.936 -1.902 -1.704 1.00 0.00 H new ATOM 0 HD21 ASN A 6 50.659 -5.444 -0.300 1.00 0.00 H new ATOM 0 HD22 ASN A 6 49.951 -4.014 0.458 1.00 0.00 H new ATOM 73 N ALA A 7 54.432 -1.892 -1.618 1.00 0.00 N ATOM 74 CA ALA A 7 55.692 -2.235 -0.894 1.00 0.00 C ATOM 75 C ALA A 7 55.449 -3.492 -0.056 1.00 0.00 C ATOM 76 O ALA A 7 55.884 -3.601 1.074 1.00 0.00 O ATOM 77 CB ALA A 7 56.091 -1.074 0.016 1.00 0.00 C ATOM 0 H ALA A 7 54.532 -1.752 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 7 56.496 -2.417 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 7 57.011 -1.325 0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 7 56.251 -0.179 -0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 7 55.297 -0.889 0.739 1.00 0.00 H new ATOM 83 N ASP A 8 54.731 -4.428 -0.605 1.00 0.00 N ATOM 84 CA ASP A 8 54.413 -5.683 0.137 1.00 0.00 C ATOM 85 C ASP A 8 55.693 -6.397 0.575 1.00 0.00 C ATOM 86 O ASP A 8 56.028 -6.422 1.743 1.00 0.00 O ATOM 87 CB ASP A 8 53.610 -6.616 -0.773 1.00 0.00 C ATOM 88 CG ASP A 8 53.129 -7.829 0.026 1.00 0.00 C ATOM 89 OD1 ASP A 8 53.579 -7.993 1.148 1.00 0.00 O ATOM 90 OD2 ASP A 8 52.319 -8.576 -0.499 1.00 0.00 O ATOM 0 H ASP A 8 54.345 -4.379 -1.548 1.00 0.00 H new ATOM 0 HA ASP A 8 53.835 -5.424 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 8 52.757 -6.084 -1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 8 54.227 -6.942 -1.611 1.00 0.00 H new ATOM 95 N ASN A 9 56.412 -6.988 -0.347 1.00 0.00 N ATOM 96 CA ASN A 9 57.665 -7.706 0.025 1.00 0.00 C ATOM 97 C ASN A 9 58.650 -7.573 -1.128 1.00 0.00 C ATOM 98 O ASN A 9 59.298 -8.525 -1.519 1.00 0.00 O ATOM 99 CB ASN A 9 57.358 -9.184 0.283 1.00 0.00 C ATOM 100 CG ASN A 9 56.965 -9.861 -1.033 1.00 0.00 C ATOM 101 OD1 ASN A 9 56.584 -9.198 -1.978 1.00 0.00 O ATOM 102 ND2 ASN A 9 57.053 -11.157 -1.143 1.00 0.00 N ATOM 0 H ASN A 9 56.183 -7.003 -1.341 1.00 0.00 H new ATOM 0 HA ASN A 9 58.091 -7.277 0.932 1.00 0.00 H new ATOM 0 HB2 ASN A 9 58.230 -9.678 0.712 1.00 0.00 H new ATOM 0 HB3 ASN A 9 56.549 -9.277 1.008 1.00 0.00 H new ATOM 0 HD21 ASN A 9 56.802 -11.613 -2.021 1.00 0.00 H new ATOM 0 HD22 ASN A 9 57.372 -11.715 -0.352 1.00 0.00 H new ATOM 109 N VAL A 10 58.741 -6.413 -1.698 1.00 0.00 N ATOM 110 CA VAL A 10 59.652 -6.229 -2.852 1.00 0.00 C ATOM 111 C VAL A 10 61.083 -6.041 -2.342 1.00 0.00 C ATOM 112 O VAL A 10 61.317 -5.397 -1.338 1.00 0.00 O ATOM 113 CB VAL A 10 59.191 -5.006 -3.644 1.00 0.00 C ATOM 114 CG1 VAL A 10 57.699 -5.135 -3.961 1.00 0.00 C ATOM 115 CG2 VAL A 10 59.423 -3.732 -2.826 1.00 0.00 C ATOM 0 H VAL A 10 58.223 -5.581 -1.415 1.00 0.00 H new ATOM 0 HA VAL A 10 59.632 -7.104 -3.502 1.00 0.00 H new ATOM 0 HB VAL A 10 59.763 -4.948 -4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 10 57.370 -4.263 -4.526 1.00 0.00 H new ATOM 0 HG12 VAL A 10 57.529 -6.035 -4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 10 57.134 -5.199 -3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 10 59.091 -2.866 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 10 58.858 -3.789 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 10 60.485 -3.633 -2.601 1.00 0.00 H new ATOM 125 N ASP A 11 62.038 -6.628 -3.013 1.00 0.00 N ATOM 126 CA ASP A 11 63.452 -6.519 -2.557 1.00 0.00 C ATOM 127 C ASP A 11 63.978 -5.086 -2.782 1.00 0.00 C ATOM 128 O ASP A 11 63.920 -4.581 -3.886 1.00 0.00 O ATOM 129 CB ASP A 11 64.309 -7.500 -3.368 1.00 0.00 C ATOM 130 CG ASP A 11 65.636 -7.744 -2.645 1.00 0.00 C ATOM 131 OD1 ASP A 11 66.264 -6.772 -2.259 1.00 0.00 O ATOM 132 OD2 ASP A 11 65.999 -8.898 -2.489 1.00 0.00 O ATOM 0 H ASP A 11 61.898 -7.180 -3.860 1.00 0.00 H new ATOM 0 HA ASP A 11 63.506 -6.753 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 11 63.776 -8.442 -3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 11 64.495 -7.098 -4.364 1.00 0.00 H new ATOM 137 N PRO A 12 64.510 -4.434 -1.764 1.00 0.00 N ATOM 138 CA PRO A 12 65.067 -3.056 -1.900 1.00 0.00 C ATOM 139 C PRO A 12 66.504 -3.080 -2.437 1.00 0.00 C ATOM 140 O PRO A 12 67.025 -2.086 -2.901 1.00 0.00 O ATOM 141 CB PRO A 12 65.042 -2.536 -0.465 1.00 0.00 C ATOM 142 CG PRO A 12 65.312 -3.748 0.362 1.00 0.00 C ATOM 143 CD PRO A 12 64.641 -4.915 -0.372 1.00 0.00 C ATOM 0 HA PRO A 12 64.504 -2.440 -2.601 1.00 0.00 H new ATOM 0 HB2 PRO A 12 65.798 -1.767 -0.306 1.00 0.00 H new ATOM 0 HB3 PRO A 12 64.078 -2.091 -0.218 1.00 0.00 H new ATOM 0 HG2 PRO A 12 66.383 -3.918 0.468 1.00 0.00 H new ATOM 0 HG3 PRO A 12 64.906 -3.634 1.367 1.00 0.00 H new ATOM 0 HD2 PRO A 12 65.245 -5.821 -0.318 1.00 0.00 H new ATOM 0 HD3 PRO A 12 63.670 -5.153 0.061 1.00 0.00 H new ATOM 151 N SER A 13 67.144 -4.214 -2.364 1.00 0.00 N ATOM 152 CA SER A 13 68.549 -4.327 -2.850 1.00 0.00 C ATOM 153 C SER A 13 68.620 -3.982 -4.337 1.00 0.00 C ATOM 154 O SER A 13 69.550 -3.346 -4.791 1.00 0.00 O ATOM 155 CB SER A 13 69.043 -5.756 -2.633 1.00 0.00 C ATOM 156 OG SER A 13 69.001 -6.061 -1.244 1.00 0.00 O ATOM 0 H SER A 13 66.750 -5.075 -1.985 1.00 0.00 H new ATOM 0 HA SER A 13 69.178 -3.631 -2.295 1.00 0.00 H new ATOM 0 HB2 SER A 13 68.421 -6.457 -3.190 1.00 0.00 H new ATOM 0 HB3 SER A 13 70.060 -5.863 -3.010 1.00 0.00 H new ATOM 0 HG SER A 13 69.204 -5.255 -0.726 1.00 0.00 H new ATOM 162 N GLN A 14 67.656 -4.407 -5.105 1.00 0.00 N ATOM 163 CA GLN A 14 67.680 -4.112 -6.566 1.00 0.00 C ATOM 164 C GLN A 14 67.531 -2.601 -6.785 1.00 0.00 C ATOM 165 O GLN A 14 67.933 -2.069 -7.801 1.00 0.00 O ATOM 166 CB GLN A 14 66.519 -4.837 -7.252 1.00 0.00 C ATOM 167 CG GLN A 14 66.648 -6.349 -7.040 1.00 0.00 C ATOM 168 CD GLN A 14 67.935 -6.861 -7.691 1.00 0.00 C ATOM 169 OE1 GLN A 14 68.297 -6.433 -8.770 1.00 0.00 O ATOM 170 NE2 GLN A 14 68.641 -7.775 -7.082 1.00 0.00 N ATOM 0 H GLN A 14 66.852 -4.946 -4.785 1.00 0.00 H new ATOM 0 HA GLN A 14 68.626 -4.452 -6.988 1.00 0.00 H new ATOM 0 HB2 GLN A 14 65.570 -4.484 -6.848 1.00 0.00 H new ATOM 0 HB3 GLN A 14 66.516 -4.610 -8.318 1.00 0.00 H new ATOM 0 HG2 GLN A 14 66.655 -6.576 -5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 14 65.786 -6.860 -7.469 1.00 0.00 H new ATOM 0 HE21 GLN A 14 68.338 -8.134 -6.177 1.00 0.00 H new ATOM 0 HE22 GLN A 14 69.496 -8.130 -7.511 1.00 0.00 H new ATOM 179 N CYS A 15 66.952 -1.910 -5.842 1.00 0.00 N ATOM 180 CA CYS A 15 66.769 -0.437 -5.994 1.00 0.00 C ATOM 181 C CYS A 15 68.128 0.264 -6.023 1.00 0.00 C ATOM 182 O CYS A 15 68.303 1.254 -6.706 1.00 0.00 O ATOM 183 CB CYS A 15 65.951 0.094 -4.815 1.00 0.00 C ATOM 184 SG CYS A 15 65.510 1.822 -5.110 1.00 0.00 S ATOM 0 H CYS A 15 66.596 -2.302 -4.970 1.00 0.00 H new ATOM 0 HA CYS A 15 66.247 -0.238 -6.930 1.00 0.00 H new ATOM 0 HB2 CYS A 15 65.049 -0.505 -4.686 1.00 0.00 H new ATOM 0 HB3 CYS A 15 66.526 0.007 -3.893 1.00 0.00 H new ATOM 0 HG CYS A 15 64.951 1.934 -6.278 1.00 0.00 H new ATOM 189 N ILE A 16 69.088 -0.229 -5.278 1.00 0.00 N ATOM 190 CA ILE A 16 70.441 0.416 -5.247 1.00 0.00 C ATOM 191 C ILE A 16 71.501 -0.584 -5.721 1.00 0.00 C ATOM 192 O ILE A 16 71.393 -1.771 -5.490 1.00 0.00 O ATOM 193 CB ILE A 16 70.753 0.847 -3.801 1.00 0.00 C ATOM 194 CG1 ILE A 16 70.770 -0.397 -2.862 1.00 0.00 C ATOM 195 CG2 ILE A 16 69.683 1.855 -3.327 1.00 0.00 C ATOM 196 CD1 ILE A 16 72.214 -0.827 -2.573 1.00 0.00 C ATOM 0 H ILE A 16 68.993 -1.055 -4.687 1.00 0.00 H new ATOM 0 HA ILE A 16 70.450 1.285 -5.905 1.00 0.00 H new ATOM 0 HB ILE A 16 71.735 1.319 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 16 70.259 -0.163 -1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 16 70.225 -1.219 -3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 16 69.900 2.162 -2.304 1.00 0.00 H new ATOM 0 HG22 ILE A 16 69.693 2.729 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 16 68.700 1.386 -3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 16 72.210 -1.697 -1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 16 72.712 -1.081 -3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 16 72.747 -0.009 -2.089 1.00 0.00 H new ATOM 208 N LYS A 17 72.530 -0.103 -6.386 1.00 0.00 N ATOM 209 CA LYS A 17 73.617 -1.011 -6.887 1.00 0.00 C ATOM 210 C LYS A 17 74.971 -0.498 -6.392 1.00 0.00 C ATOM 211 O LYS A 17 75.118 0.664 -6.060 1.00 0.00 O ATOM 212 CB LYS A 17 73.627 -1.014 -8.419 1.00 0.00 C ATOM 213 CG LYS A 17 72.369 -1.707 -8.953 1.00 0.00 C ATOM 214 CD LYS A 17 72.502 -1.932 -10.466 1.00 0.00 C ATOM 215 CE LYS A 17 72.443 -0.595 -11.212 1.00 0.00 C ATOM 216 NZ LYS A 17 72.257 -0.851 -12.669 1.00 0.00 N ATOM 0 H LYS A 17 72.664 0.884 -6.604 1.00 0.00 H new ATOM 0 HA LYS A 17 73.436 -2.020 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 17 73.674 0.009 -8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 17 74.517 -1.527 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.225 -2.661 -8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 17 71.490 -1.098 -8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 17 73.444 -2.436 -10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 17 71.703 -2.586 -10.815 1.00 0.00 H new ATOM 0 HE2 LYS A 17 71.622 0.012 -10.830 1.00 0.00 H new ATOM 0 HE3 LYS A 17 73.361 -0.031 -11.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 72.217 0.055 -13.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 73.055 -1.414 -13.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 71.370 -1.373 -12.819 1.00 0.00 H new ATOM 230 N GLN A 18 75.968 -1.351 -6.337 1.00 0.00 N ATOM 231 CA GLN A 18 77.317 -0.908 -5.861 1.00 0.00 C ATOM 232 C GLN A 18 78.236 -0.656 -7.061 1.00 0.00 C ATOM 233 O GLN A 18 78.614 -1.576 -7.759 1.00 0.00 O ATOM 234 CB GLN A 18 77.932 -2.012 -4.994 1.00 0.00 C ATOM 235 CG GLN A 18 79.257 -1.520 -4.402 1.00 0.00 C ATOM 236 CD GLN A 18 79.874 -2.619 -3.534 1.00 0.00 C ATOM 237 OE1 GLN A 18 79.919 -3.769 -3.925 1.00 0.00 O ATOM 238 NE2 GLN A 18 80.358 -2.309 -2.361 1.00 0.00 N ATOM 0 H GLN A 18 75.905 -2.334 -6.601 1.00 0.00 H new ATOM 0 HA GLN A 18 77.209 0.010 -5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 18 77.244 -2.286 -4.194 1.00 0.00 H new ATOM 0 HB3 GLN A 18 78.099 -2.908 -5.592 1.00 0.00 H new ATOM 0 HG2 GLN A 18 79.945 -1.246 -5.202 1.00 0.00 H new ATOM 0 HG3 GLN A 18 79.089 -0.623 -3.805 1.00 0.00 H new ATOM 0 HE21 GLN A 18 80.320 -1.344 -2.033 1.00 0.00 H new ATOM 0 HE22 GLN A 18 80.774 -3.032 -1.773 1.00 0.00 H new ATOM 247 N SER A 19 78.626 0.576 -7.291 1.00 0.00 N ATOM 248 CA SER A 19 79.558 0.894 -8.422 1.00 0.00 C ATOM 249 C SER A 19 80.764 1.652 -7.856 1.00 0.00 C ATOM 250 O SER A 19 80.613 2.695 -7.262 1.00 0.00 O ATOM 251 CB SER A 19 78.835 1.770 -9.446 1.00 0.00 C ATOM 252 OG SER A 19 77.599 1.158 -9.794 1.00 0.00 O ATOM 0 H SER A 19 78.336 1.383 -6.738 1.00 0.00 H new ATOM 0 HA SER A 19 79.888 -0.024 -8.909 1.00 0.00 H new ATOM 0 HB2 SER A 19 78.659 2.763 -9.033 1.00 0.00 H new ATOM 0 HB3 SER A 19 79.454 1.899 -10.334 1.00 0.00 H new ATOM 0 HG SER A 19 77.130 1.716 -10.449 1.00 0.00 H new ATOM 258 N GLY A 20 81.958 1.151 -8.025 1.00 0.00 N ATOM 259 CA GLY A 20 83.144 1.879 -7.475 1.00 0.00 C ATOM 260 C GLY A 20 82.974 2.068 -5.964 1.00 0.00 C ATOM 261 O GLY A 20 82.871 3.175 -5.479 1.00 0.00 O ATOM 0 H GLY A 20 82.165 0.280 -8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 20 84.056 1.318 -7.682 1.00 0.00 H new ATOM 0 HA3 GLY A 20 83.248 2.848 -7.964 1.00 0.00 H new ATOM 265 N VAL A 21 82.948 0.986 -5.228 1.00 0.00 N ATOM 266 CA VAL A 21 82.786 1.047 -3.736 1.00 0.00 C ATOM 267 C VAL A 21 81.823 2.166 -3.336 1.00 0.00 C ATOM 268 O VAL A 21 81.956 2.762 -2.290 1.00 0.00 O ATOM 269 CB VAL A 21 84.150 1.259 -3.064 1.00 0.00 C ATOM 270 CG1 VAL A 21 85.053 0.075 -3.391 1.00 0.00 C ATOM 271 CG2 VAL A 21 84.811 2.547 -3.568 1.00 0.00 C ATOM 0 H VAL A 21 83.034 0.041 -5.603 1.00 0.00 H new ATOM 0 HA VAL A 21 82.367 0.099 -3.400 1.00 0.00 H new ATOM 0 HB VAL A 21 84.002 1.341 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 21 86.025 0.217 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 21 84.598 -0.843 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 21 85.182 0.004 -4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 21 85.776 2.676 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 21 84.957 2.483 -4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 21 84.170 3.399 -3.338 1.00 0.00 H new ATOM 281 N GLN A 22 80.858 2.450 -4.168 1.00 0.00 N ATOM 282 CA GLN A 22 79.857 3.524 -3.858 1.00 0.00 C ATOM 283 C GLN A 22 78.448 2.987 -4.104 1.00 0.00 C ATOM 284 O GLN A 22 78.259 2.031 -4.825 1.00 0.00 O ATOM 285 CB GLN A 22 80.108 4.750 -4.743 1.00 0.00 C ATOM 286 CG GLN A 22 81.305 5.529 -4.199 1.00 0.00 C ATOM 287 CD GLN A 22 81.720 6.605 -5.205 1.00 0.00 C ATOM 288 OE1 GLN A 22 81.329 6.564 -6.355 1.00 0.00 O ATOM 289 NE2 GLN A 22 82.507 7.572 -4.818 1.00 0.00 N ATOM 0 H GLN A 22 80.715 1.980 -5.062 1.00 0.00 H new ATOM 0 HA GLN A 22 79.958 3.819 -2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 22 80.299 4.439 -5.770 1.00 0.00 H new ATOM 0 HB3 GLN A 22 79.223 5.387 -4.762 1.00 0.00 H new ATOM 0 HG2 GLN A 22 81.049 5.989 -3.245 1.00 0.00 H new ATOM 0 HG3 GLN A 22 82.138 4.851 -4.012 1.00 0.00 H new ATOM 0 HE21 GLN A 22 82.835 7.607 -3.853 1.00 0.00 H new ATOM 0 HE22 GLN A 22 82.793 8.293 -5.481 1.00 0.00 H new ATOM 298 N TYR A 23 77.456 3.616 -3.521 1.00 0.00 N ATOM 299 CA TYR A 23 76.033 3.173 -3.721 1.00 0.00 C ATOM 300 C TYR A 23 75.241 4.313 -4.358 1.00 0.00 C ATOM 301 O TYR A 23 75.403 5.464 -4.004 1.00 0.00 O ATOM 302 CB TYR A 23 75.374 2.841 -2.373 1.00 0.00 C ATOM 303 CG TYR A 23 75.884 1.525 -1.832 1.00 0.00 C ATOM 304 CD1 TYR A 23 75.561 0.332 -2.490 1.00 0.00 C ATOM 305 CD2 TYR A 23 76.650 1.492 -0.661 1.00 0.00 C ATOM 306 CE1 TYR A 23 76.008 -0.893 -1.979 1.00 0.00 C ATOM 307 CE2 TYR A 23 77.091 0.266 -0.147 1.00 0.00 C ATOM 308 CZ TYR A 23 76.771 -0.926 -0.807 1.00 0.00 C ATOM 309 OH TYR A 23 77.205 -2.134 -0.298 1.00 0.00 O ATOM 0 H TYR A 23 77.569 4.424 -2.909 1.00 0.00 H new ATOM 0 HA TYR A 23 76.034 2.288 -4.357 1.00 0.00 H new ATOM 0 HB2 TYR A 23 75.580 3.637 -1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 23 74.292 2.794 -2.495 1.00 0.00 H new ATOM 0 HD1 TYR A 23 74.967 0.356 -3.392 1.00 0.00 H new ATOM 0 HD2 TYR A 23 76.901 2.412 -0.154 1.00 0.00 H new ATOM 0 HE1 TYR A 23 75.764 -1.813 -2.490 1.00 0.00 H new ATOM 0 HE2 TYR A 23 77.678 0.240 0.759 1.00 0.00 H new ATOM 0 HH TYR A 23 77.335 -2.770 -1.032 1.00 0.00 H new ATOM 319 N THR A 24 74.372 3.998 -5.283 1.00 0.00 N ATOM 320 CA THR A 24 73.542 5.056 -5.937 1.00 0.00 C ATOM 321 C THR A 24 72.089 4.580 -6.021 1.00 0.00 C ATOM 322 O THR A 24 71.813 3.401 -6.153 1.00 0.00 O ATOM 323 CB THR A 24 74.078 5.335 -7.343 1.00 0.00 C ATOM 324 OG1 THR A 24 74.195 4.115 -8.060 1.00 0.00 O ATOM 325 CG2 THR A 24 75.447 6.004 -7.238 1.00 0.00 C ATOM 0 H THR A 24 74.200 3.049 -5.616 1.00 0.00 H new ATOM 0 HA THR A 24 73.590 5.973 -5.349 1.00 0.00 H new ATOM 0 HB THR A 24 73.390 5.995 -7.871 1.00 0.00 H new ATOM 0 HG1 THR A 24 74.537 4.296 -8.960 1.00 0.00 H new ATOM 0 HG21 THR A 24 75.832 6.204 -8.238 1.00 0.00 H new ATOM 0 HG22 THR A 24 75.353 6.942 -6.691 1.00 0.00 H new ATOM 0 HG23 THR A 24 76.135 5.344 -6.710 1.00 0.00 H new ATOM 333 N TYR A 25 71.165 5.496 -5.942 1.00 0.00 N ATOM 334 CA TYR A 25 69.724 5.133 -6.011 1.00 0.00 C ATOM 335 C TYR A 25 69.319 5.028 -7.479 1.00 0.00 C ATOM 336 O TYR A 25 69.435 5.978 -8.227 1.00 0.00 O ATOM 337 CB TYR A 25 68.921 6.245 -5.334 1.00 0.00 C ATOM 338 CG TYR A 25 67.463 5.870 -5.233 1.00 0.00 C ATOM 339 CD1 TYR A 25 66.581 6.200 -6.268 1.00 0.00 C ATOM 340 CD2 TYR A 25 66.992 5.209 -4.094 1.00 0.00 C ATOM 341 CE1 TYR A 25 65.226 5.867 -6.163 1.00 0.00 C ATOM 342 CE2 TYR A 25 65.638 4.882 -3.988 1.00 0.00 C ATOM 343 CZ TYR A 25 64.755 5.210 -5.020 1.00 0.00 C ATOM 344 OH TYR A 25 63.421 4.891 -4.905 1.00 0.00 O ATOM 0 H TYR A 25 71.350 6.493 -5.831 1.00 0.00 H new ATOM 0 HA TYR A 25 69.536 4.182 -5.513 1.00 0.00 H new ATOM 0 HB2 TYR A 25 69.322 6.434 -4.338 1.00 0.00 H new ATOM 0 HB3 TYR A 25 69.024 7.170 -5.900 1.00 0.00 H new ATOM 0 HD1 TYR A 25 66.946 6.711 -7.147 1.00 0.00 H new ATOM 0 HD2 TYR A 25 67.674 4.952 -3.297 1.00 0.00 H new ATOM 0 HE1 TYR A 25 64.544 6.117 -6.963 1.00 0.00 H new ATOM 0 HE2 TYR A 25 65.273 4.375 -3.107 1.00 0.00 H new ATOM 0 HH TYR A 25 63.266 4.437 -4.050 1.00 0.00 H new ATOM 354 N ASN A 26 68.862 3.883 -7.909 1.00 0.00 N ATOM 355 CA ASN A 26 68.476 3.735 -9.341 1.00 0.00 C ATOM 356 C ASN A 26 67.033 4.183 -9.555 1.00 0.00 C ATOM 357 O ASN A 26 66.098 3.490 -9.207 1.00 0.00 O ATOM 358 CB ASN A 26 68.605 2.267 -9.746 1.00 0.00 C ATOM 359 CG ASN A 26 70.054 1.822 -9.568 1.00 0.00 C ATOM 360 OD1 ASN A 26 70.924 2.229 -10.313 1.00 0.00 O ATOM 361 ND2 ASN A 26 70.356 1.004 -8.598 1.00 0.00 N ATOM 0 H ASN A 26 68.740 3.049 -7.335 1.00 0.00 H new ATOM 0 HA ASN A 26 69.135 4.356 -9.948 1.00 0.00 H new ATOM 0 HB2 ASN A 26 67.945 1.650 -9.136 1.00 0.00 H new ATOM 0 HB3 ASN A 26 68.296 2.135 -10.783 1.00 0.00 H new ATOM 0 HD21 ASN A 26 71.322 0.706 -8.465 1.00 0.00 H new ATOM 0 HD22 ASN A 26 69.626 0.663 -7.973 1.00 0.00 H new ATOM 368 N SER A 27 66.840 5.332 -10.151 1.00 0.00 N ATOM 369 CA SER A 27 65.456 5.813 -10.419 1.00 0.00 C ATOM 370 C SER A 27 65.035 5.319 -11.803 1.00 0.00 C ATOM 371 O SER A 27 63.940 5.576 -12.263 1.00 0.00 O ATOM 372 CB SER A 27 65.423 7.341 -10.394 1.00 0.00 C ATOM 373 OG SER A 27 66.111 7.838 -11.533 1.00 0.00 O ATOM 0 H SER A 27 67.584 5.957 -10.463 1.00 0.00 H new ATOM 0 HA SER A 27 64.776 5.433 -9.656 1.00 0.00 H new ATOM 0 HB2 SER A 27 64.392 7.695 -10.393 1.00 0.00 H new ATOM 0 HB3 SER A 27 65.889 7.713 -9.481 1.00 0.00 H new ATOM 0 HG SER A 27 66.092 8.818 -11.525 1.00 0.00 H new ATOM 379 N GLY A 28 65.903 4.608 -12.473 1.00 0.00 N ATOM 380 CA GLY A 28 65.562 4.097 -13.829 1.00 0.00 C ATOM 381 C GLY A 28 64.436 3.072 -13.711 1.00 0.00 C ATOM 382 O GLY A 28 63.857 2.657 -14.695 1.00 0.00 O ATOM 0 H GLY A 28 66.834 4.360 -12.138 1.00 0.00 H new ATOM 0 HA2 GLY A 28 65.255 4.920 -14.474 1.00 0.00 H new ATOM 0 HA3 GLY A 28 66.438 3.641 -14.290 1.00 0.00 H new ATOM 386 N VAL A 29 64.110 2.674 -12.507 1.00 0.00 N ATOM 387 CA VAL A 29 63.006 1.687 -12.298 1.00 0.00 C ATOM 388 C VAL A 29 61.775 2.449 -11.789 1.00 0.00 C ATOM 389 O VAL A 29 61.839 3.176 -10.818 1.00 0.00 O ATOM 390 CB VAL A 29 63.458 0.625 -11.275 1.00 0.00 C ATOM 391 CG1 VAL A 29 64.170 -0.524 -12.002 1.00 0.00 C ATOM 392 CG2 VAL A 29 64.434 1.258 -10.276 1.00 0.00 C ATOM 0 H VAL A 29 64.566 2.993 -11.652 1.00 0.00 H new ATOM 0 HA VAL A 29 62.757 1.178 -13.229 1.00 0.00 H new ATOM 0 HB VAL A 29 62.583 0.243 -10.749 1.00 0.00 H new ATOM 0 HG11 VAL A 29 64.488 -1.272 -11.276 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.487 -0.980 -12.718 1.00 0.00 H new ATOM 0 HG13 VAL A 29 65.042 -0.136 -12.529 1.00 0.00 H new ATOM 0 HG21 VAL A 29 64.753 0.507 -9.553 1.00 0.00 H new ATOM 0 HG22 VAL A 29 65.304 1.641 -10.810 1.00 0.00 H new ATOM 0 HG23 VAL A 29 63.940 2.077 -9.754 1.00 0.00 H new ATOM 402 N SER A 30 60.666 2.313 -12.464 1.00 0.00 N ATOM 403 CA SER A 30 59.430 3.051 -12.063 1.00 0.00 C ATOM 404 C SER A 30 58.985 2.688 -10.639 1.00 0.00 C ATOM 405 O SER A 30 58.544 3.537 -9.890 1.00 0.00 O ATOM 406 CB SER A 30 58.308 2.709 -13.041 1.00 0.00 C ATOM 407 OG SER A 30 57.117 3.377 -12.645 1.00 0.00 O ATOM 0 H SER A 30 60.561 1.716 -13.285 1.00 0.00 H new ATOM 0 HA SER A 30 59.651 4.118 -12.084 1.00 0.00 H new ATOM 0 HB2 SER A 30 58.587 3.008 -14.051 1.00 0.00 H new ATOM 0 HB3 SER A 30 58.144 1.632 -13.062 1.00 0.00 H new ATOM 0 HG SER A 30 56.396 3.160 -13.272 1.00 0.00 H new ATOM 413 N VAL A 31 59.069 1.443 -10.260 1.00 0.00 N ATOM 414 CA VAL A 31 58.616 1.059 -8.888 1.00 0.00 C ATOM 415 C VAL A 31 59.311 1.933 -7.839 1.00 0.00 C ATOM 416 O VAL A 31 58.737 2.268 -6.821 1.00 0.00 O ATOM 417 CB VAL A 31 58.934 -0.425 -8.638 1.00 0.00 C ATOM 418 CG1 VAL A 31 60.392 -0.719 -8.996 1.00 0.00 C ATOM 419 CG2 VAL A 31 58.697 -0.765 -7.162 1.00 0.00 C ATOM 0 H VAL A 31 59.428 0.679 -10.833 1.00 0.00 H new ATOM 0 HA VAL A 31 57.540 1.213 -8.809 1.00 0.00 H new ATOM 0 HB VAL A 31 58.281 -1.033 -9.263 1.00 0.00 H new ATOM 0 HG11 VAL A 31 60.606 -1.772 -8.815 1.00 0.00 H new ATOM 0 HG12 VAL A 31 60.562 -0.490 -10.048 1.00 0.00 H new ATOM 0 HG13 VAL A 31 61.049 -0.105 -8.380 1.00 0.00 H new ATOM 0 HG21 VAL A 31 58.924 -1.817 -6.990 1.00 0.00 H new ATOM 0 HG22 VAL A 31 59.344 -0.148 -6.538 1.00 0.00 H new ATOM 0 HG23 VAL A 31 57.655 -0.572 -6.907 1.00 0.00 H new ATOM 429 N CYS A 32 60.540 2.298 -8.067 1.00 0.00 N ATOM 430 CA CYS A 32 61.268 3.140 -7.074 1.00 0.00 C ATOM 431 C CYS A 32 60.561 4.492 -6.881 1.00 0.00 C ATOM 432 O CYS A 32 60.396 4.962 -5.770 1.00 0.00 O ATOM 433 CB CYS A 32 62.693 3.370 -7.585 1.00 0.00 C ATOM 434 SG CYS A 32 63.702 1.912 -7.225 1.00 0.00 S ATOM 0 H CYS A 32 61.075 2.050 -8.899 1.00 0.00 H new ATOM 0 HA CYS A 32 61.287 2.628 -6.112 1.00 0.00 H new ATOM 0 HB2 CYS A 32 62.680 3.561 -8.658 1.00 0.00 H new ATOM 0 HB3 CYS A 32 63.124 4.251 -7.109 1.00 0.00 H new ATOM 0 HG CYS A 32 64.103 1.956 -5.989 1.00 0.00 H new ATOM 439 N MET A 33 60.154 5.131 -7.946 1.00 0.00 N ATOM 440 CA MET A 33 59.475 6.457 -7.804 1.00 0.00 C ATOM 441 C MET A 33 58.021 6.280 -7.350 1.00 0.00 C ATOM 442 O MET A 33 57.437 7.176 -6.776 1.00 0.00 O ATOM 443 CB MET A 33 59.531 7.212 -9.147 1.00 0.00 C ATOM 444 CG MET A 33 60.851 7.992 -9.256 1.00 0.00 C ATOM 445 SD MET A 33 60.692 9.554 -8.342 1.00 0.00 S ATOM 446 CE MET A 33 61.997 9.284 -7.111 1.00 0.00 C ATOM 0 H MET A 33 60.260 4.796 -8.904 1.00 0.00 H new ATOM 0 HA MET A 33 59.995 7.038 -7.043 1.00 0.00 H new ATOM 0 HB2 MET A 33 59.446 6.507 -9.974 1.00 0.00 H new ATOM 0 HB3 MET A 33 58.687 7.897 -9.224 1.00 0.00 H new ATOM 0 HG2 MET A 33 61.672 7.401 -8.851 1.00 0.00 H new ATOM 0 HG3 MET A 33 61.086 8.190 -10.302 1.00 0.00 H new ATOM 0 HE1 MET A 33 61.854 9.966 -6.273 1.00 0.00 H new ATOM 0 HE2 MET A 33 61.952 8.255 -6.753 1.00 0.00 H new ATOM 0 HE3 MET A 33 62.970 9.468 -7.566 1.00 0.00 H new ATOM 456 N GLN A 34 57.428 5.146 -7.589 1.00 0.00 N ATOM 457 CA GLN A 34 56.016 4.958 -7.147 1.00 0.00 C ATOM 458 C GLN A 34 55.924 5.118 -5.626 1.00 0.00 C ATOM 459 O GLN A 34 54.992 5.702 -5.114 1.00 0.00 O ATOM 460 CB GLN A 34 55.516 3.571 -7.550 1.00 0.00 C ATOM 461 CG GLN A 34 55.321 3.521 -9.067 1.00 0.00 C ATOM 462 CD GLN A 34 54.945 2.100 -9.484 1.00 0.00 C ATOM 463 OE1 GLN A 34 55.192 1.156 -8.760 1.00 0.00 O ATOM 464 NE2 GLN A 34 54.353 1.905 -10.630 1.00 0.00 N ATOM 0 H GLN A 34 57.851 4.349 -8.065 1.00 0.00 H new ATOM 0 HA GLN A 34 55.393 5.712 -7.629 1.00 0.00 H new ATOM 0 HB2 GLN A 34 56.232 2.810 -7.239 1.00 0.00 H new ATOM 0 HB3 GLN A 34 54.576 3.350 -7.044 1.00 0.00 H new ATOM 0 HG2 GLN A 34 54.539 4.219 -9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 34 56.236 3.830 -9.573 1.00 0.00 H new ATOM 0 HE21 GLN A 34 54.145 2.697 -11.238 1.00 0.00 H new ATOM 0 HE22 GLN A 34 54.098 0.960 -10.918 1.00 0.00 H new ATOM 473 N GLY A 35 56.879 4.608 -4.896 1.00 0.00 N ATOM 474 CA GLY A 35 56.828 4.745 -3.411 1.00 0.00 C ATOM 475 C GLY A 35 57.191 6.180 -3.014 1.00 0.00 C ATOM 476 O GLY A 35 56.522 6.801 -2.212 1.00 0.00 O ATOM 0 H GLY A 35 57.688 4.105 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.831 4.498 -3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 35 57.520 4.042 -2.947 1.00 0.00 H new ATOM 480 N LEU A 36 58.245 6.708 -3.576 1.00 0.00 N ATOM 481 CA LEU A 36 58.657 8.102 -3.242 1.00 0.00 C ATOM 482 C LEU A 36 57.595 9.085 -3.745 1.00 0.00 C ATOM 483 O LEU A 36 57.281 10.062 -3.096 1.00 0.00 O ATOM 484 CB LEU A 36 60.015 8.406 -3.903 1.00 0.00 C ATOM 485 CG LEU A 36 61.163 7.792 -3.068 1.00 0.00 C ATOM 486 CD1 LEU A 36 62.387 7.558 -3.958 1.00 0.00 C ATOM 487 CD2 LEU A 36 61.573 8.756 -1.946 1.00 0.00 C ATOM 0 H LEU A 36 58.840 6.232 -4.254 1.00 0.00 H new ATOM 0 HA LEU A 36 58.754 8.207 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 36 60.034 8.001 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 36 60.153 9.484 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 36 60.813 6.850 -2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 36 63.192 7.125 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 36 62.124 6.874 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 36 62.717 8.507 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.382 8.314 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 36 61.910 9.697 -2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 36 60.718 8.942 -1.296 1.00 0.00 H new ATOM 499 N ASN A 37 57.048 8.837 -4.902 1.00 0.00 N ATOM 500 CA ASN A 37 56.015 9.760 -5.451 1.00 0.00 C ATOM 501 C ASN A 37 54.815 9.837 -4.498 1.00 0.00 C ATOM 502 O ASN A 37 54.244 10.889 -4.294 1.00 0.00 O ATOM 503 CB ASN A 37 55.546 9.243 -6.815 1.00 0.00 C ATOM 504 CG ASN A 37 56.654 9.437 -7.854 1.00 0.00 C ATOM 505 OD1 ASN A 37 56.502 9.058 -8.998 1.00 0.00 O ATOM 506 ND2 ASN A 37 57.770 10.015 -7.502 1.00 0.00 N ATOM 0 H ASN A 37 57.271 8.035 -5.492 1.00 0.00 H new ATOM 0 HA ASN A 37 56.448 10.754 -5.560 1.00 0.00 H new ATOM 0 HB2 ASN A 37 55.283 8.188 -6.743 1.00 0.00 H new ATOM 0 HB3 ASN A 37 54.647 9.775 -7.126 1.00 0.00 H new ATOM 0 HD21 ASN A 37 58.514 10.148 -8.187 1.00 0.00 H new ATOM 0 HD22 ASN A 37 57.899 10.334 -6.542 1.00 0.00 H new ATOM 513 N GLU A 38 54.419 8.732 -3.925 1.00 0.00 N ATOM 514 CA GLU A 38 53.245 8.742 -3.002 1.00 0.00 C ATOM 515 C GLU A 38 53.657 9.212 -1.603 1.00 0.00 C ATOM 516 O GLU A 38 52.822 9.424 -0.747 1.00 0.00 O ATOM 517 CB GLU A 38 52.665 7.332 -2.914 1.00 0.00 C ATOM 518 CG GLU A 38 52.000 6.976 -4.245 1.00 0.00 C ATOM 519 CD GLU A 38 51.425 5.561 -4.165 1.00 0.00 C ATOM 520 OE1 GLU A 38 51.698 4.887 -3.186 1.00 0.00 O ATOM 521 OE2 GLU A 38 50.719 5.178 -5.083 1.00 0.00 O ATOM 0 H GLU A 38 54.858 7.821 -4.056 1.00 0.00 H new ATOM 0 HA GLU A 38 52.497 9.432 -3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 38 53.454 6.615 -2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 38 51.938 7.275 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 38 51.208 7.690 -4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 38 52.726 7.040 -5.055 1.00 0.00 H new ATOM 528 N GLY A 39 54.925 9.380 -1.354 1.00 0.00 N ATOM 529 CA GLY A 39 55.353 9.841 -0.003 1.00 0.00 C ATOM 530 C GLY A 39 55.153 8.715 1.015 1.00 0.00 C ATOM 531 O GLY A 39 54.964 8.961 2.191 1.00 0.00 O ATOM 0 H GLY A 39 55.679 9.220 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 39 56.401 10.142 -0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 39 54.776 10.718 0.292 1.00 0.00 H new ATOM 535 N LYS A 40 55.220 7.481 0.581 1.00 0.00 N ATOM 536 CA LYS A 40 55.067 6.334 1.525 1.00 0.00 C ATOM 537 C LYS A 40 56.459 5.819 1.814 1.00 0.00 C ATOM 538 O LYS A 40 56.674 4.968 2.655 1.00 0.00 O ATOM 539 CB LYS A 40 54.241 5.217 0.874 1.00 0.00 C ATOM 540 CG LYS A 40 52.837 5.723 0.517 1.00 0.00 C ATOM 541 CD LYS A 40 52.006 5.945 1.789 1.00 0.00 C ATOM 542 CE LYS A 40 50.526 6.070 1.419 1.00 0.00 C ATOM 543 NZ LYS A 40 50.071 4.816 0.753 1.00 0.00 N ATOM 0 H LYS A 40 55.375 7.219 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 40 54.557 6.650 2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 40 54.745 4.861 -0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 40 54.166 4.369 1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 40 52.911 6.655 -0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 40 52.337 5.002 -0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 40 52.150 5.114 2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 40 52.341 6.847 2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 40 49.931 6.255 2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 40 50.377 6.921 0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 49.061 4.665 0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 50.215 4.897 -0.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 50.619 4.011 1.117 1.00 0.00 H new ATOM 557 N VAL A 41 57.411 6.349 1.100 1.00 0.00 N ATOM 558 CA VAL A 41 58.825 5.943 1.272 1.00 0.00 C ATOM 559 C VAL A 41 59.680 7.202 1.381 1.00 0.00 C ATOM 560 O VAL A 41 59.309 8.263 0.920 1.00 0.00 O ATOM 561 CB VAL A 41 59.256 5.129 0.052 1.00 0.00 C ATOM 562 CG1 VAL A 41 60.679 4.593 0.235 1.00 0.00 C ATOM 563 CG2 VAL A 41 58.284 3.957 -0.151 1.00 0.00 C ATOM 0 H VAL A 41 57.260 7.064 0.388 1.00 0.00 H new ATOM 0 HA VAL A 41 58.945 5.338 2.171 1.00 0.00 H new ATOM 0 HB VAL A 41 59.240 5.777 -0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 41 60.967 4.017 -0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 41 61.368 5.427 0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 41 60.716 3.953 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 41 58.591 3.376 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 41 58.293 3.319 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 41 57.277 4.343 -0.309 1.00 0.00 H new ATOM 573 N ARG A 42 60.827 7.077 1.979 1.00 0.00 N ATOM 574 CA ARG A 42 61.753 8.247 2.133 1.00 0.00 C ATOM 575 C ARG A 42 63.043 7.930 1.398 1.00 0.00 C ATOM 576 O ARG A 42 63.926 8.754 1.273 1.00 0.00 O ATOM 577 CB ARG A 42 62.062 8.476 3.614 1.00 0.00 C ATOM 578 CG ARG A 42 60.778 8.855 4.357 1.00 0.00 C ATOM 579 CD ARG A 42 61.097 9.103 5.831 1.00 0.00 C ATOM 580 NE ARG A 42 62.010 10.274 5.947 1.00 0.00 N ATOM 581 CZ ARG A 42 62.527 10.585 7.103 1.00 0.00 C ATOM 582 NH1 ARG A 42 62.249 9.868 8.156 1.00 0.00 N ATOM 583 NH2 ARG A 42 63.324 11.612 7.203 1.00 0.00 N ATOM 0 H ARG A 42 61.175 6.204 2.376 1.00 0.00 H new ATOM 0 HA ARG A 42 61.288 9.145 1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 42 62.493 7.574 4.049 1.00 0.00 H new ATOM 0 HB3 ARG A 42 62.803 9.268 3.722 1.00 0.00 H new ATOM 0 HG2 ARG A 42 60.339 9.749 3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 42 60.041 8.057 4.262 1.00 0.00 H new ATOM 0 HD2 ARG A 42 60.178 9.287 6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 42 61.563 8.220 6.268 1.00 0.00 H new ATOM 0 HE ARG A 42 62.231 10.832 5.123 1.00 0.00 H new ATOM 0 HH11 ARG A 42 61.627 9.064 8.076 1.00 0.00 H new ATOM 0 HH12 ARG A 42 62.654 10.111 9.060 1.00 0.00 H new ATOM 0 HH21 ARG A 42 63.542 12.171 6.378 1.00 0.00 H new ATOM 0 HH22 ARG A 42 63.729 11.857 8.106 1.00 0.00 H new ATOM 597 N GLY A 43 63.155 6.727 0.919 1.00 0.00 N ATOM 598 CA GLY A 43 64.390 6.313 0.185 1.00 0.00 C ATOM 599 C GLY A 43 64.771 4.916 0.652 1.00 0.00 C ATOM 600 O GLY A 43 63.932 4.182 1.125 1.00 0.00 O ATOM 0 H GLY A 43 62.441 6.003 1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 43 64.214 6.320 -0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 43 65.202 7.014 0.380 1.00 0.00 H new ATOM 604 N VAL A 44 66.020 4.530 0.529 1.00 0.00 N ATOM 605 CA VAL A 44 66.434 3.162 0.980 1.00 0.00 C ATOM 606 C VAL A 44 67.585 3.277 1.981 1.00 0.00 C ATOM 607 O VAL A 44 68.575 3.928 1.735 1.00 0.00 O ATOM 608 CB VAL A 44 66.887 2.354 -0.241 1.00 0.00 C ATOM 609 CG1 VAL A 44 67.469 1.013 0.213 1.00 0.00 C ATOM 610 CG2 VAL A 44 65.681 2.097 -1.153 1.00 0.00 C ATOM 0 H VAL A 44 66.768 5.101 0.137 1.00 0.00 H new ATOM 0 HA VAL A 44 65.595 2.661 1.462 1.00 0.00 H new ATOM 0 HB VAL A 44 67.649 2.915 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.790 0.442 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.324 1.190 0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.708 0.451 0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 44 65.999 1.522 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 44 64.923 1.537 -0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.263 3.049 -1.480 1.00 0.00 H new ATOM 620 N SER A 45 67.467 2.633 3.109 1.00 0.00 N ATOM 621 CA SER A 45 68.560 2.685 4.119 1.00 0.00 C ATOM 622 C SER A 45 69.597 1.623 3.760 1.00 0.00 C ATOM 623 O SER A 45 69.263 0.489 3.482 1.00 0.00 O ATOM 624 CB SER A 45 67.986 2.408 5.516 1.00 0.00 C ATOM 625 OG SER A 45 67.552 3.631 6.096 1.00 0.00 O ATOM 0 H SER A 45 66.658 2.071 3.375 1.00 0.00 H new ATOM 0 HA SER A 45 69.024 3.671 4.123 1.00 0.00 H new ATOM 0 HB2 SER A 45 67.153 1.709 5.447 1.00 0.00 H new ATOM 0 HB3 SER A 45 68.743 1.941 6.147 1.00 0.00 H new ATOM 0 HG SER A 45 67.183 3.458 6.987 1.00 0.00 H new ATOM 631 N VAL A 46 70.853 1.984 3.766 1.00 0.00 N ATOM 632 CA VAL A 46 71.932 1.005 3.429 1.00 0.00 C ATOM 633 C VAL A 46 73.011 1.049 4.505 1.00 0.00 C ATOM 634 O VAL A 46 73.489 2.101 4.880 1.00 0.00 O ATOM 635 CB VAL A 46 72.561 1.364 2.082 1.00 0.00 C ATOM 636 CG1 VAL A 46 73.241 2.735 2.177 1.00 0.00 C ATOM 637 CG2 VAL A 46 73.601 0.303 1.710 1.00 0.00 C ATOM 0 H VAL A 46 71.182 2.923 3.992 1.00 0.00 H new ATOM 0 HA VAL A 46 71.500 0.006 3.374 1.00 0.00 H new ATOM 0 HB VAL A 46 71.784 1.400 1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 46 73.688 2.987 1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 46 72.501 3.490 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.018 2.704 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 46 74.051 0.556 0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 46 74.375 0.268 2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 46 73.117 -0.671 1.638 1.00 0.00 H new ATOM 647 N SER A 47 73.405 -0.096 4.990 1.00 0.00 N ATOM 648 CA SER A 47 74.469 -0.167 6.036 1.00 0.00 C ATOM 649 C SER A 47 75.592 -1.048 5.507 1.00 0.00 C ATOM 650 O SER A 47 75.354 -2.006 4.799 1.00 0.00 O ATOM 651 CB SER A 47 73.905 -0.792 7.307 1.00 0.00 C ATOM 652 OG SER A 47 73.737 -2.188 7.106 1.00 0.00 O ATOM 0 H SER A 47 73.030 -1.000 4.703 1.00 0.00 H new ATOM 0 HA SER A 47 74.835 0.834 6.264 1.00 0.00 H new ATOM 0 HB2 SER A 47 74.578 -0.612 8.145 1.00 0.00 H new ATOM 0 HB3 SER A 47 72.950 -0.331 7.560 1.00 0.00 H new ATOM 0 HG SER A 47 73.376 -2.595 7.921 1.00 0.00 H new ATOM 658 N GLY A 48 76.814 -0.730 5.834 1.00 0.00 N ATOM 659 CA GLY A 48 77.966 -1.554 5.339 1.00 0.00 C ATOM 660 C GLY A 48 78.946 -1.816 6.477 1.00 0.00 C ATOM 661 O GLY A 48 79.265 -0.936 7.248 1.00 0.00 O ATOM 0 H GLY A 48 77.070 0.063 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 48 77.602 -2.499 4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 48 78.472 -1.035 4.525 1.00 0.00 H new ATOM 665 N VAL A 49 79.435 -3.028 6.575 1.00 0.00 N ATOM 666 CA VAL A 49 80.414 -3.378 7.651 1.00 0.00 C ATOM 667 C VAL A 49 81.685 -3.932 7.016 1.00 0.00 C ATOM 668 O VAL A 49 81.645 -4.816 6.183 1.00 0.00 O ATOM 669 CB VAL A 49 79.820 -4.437 8.584 1.00 0.00 C ATOM 670 CG1 VAL A 49 80.871 -4.852 9.617 1.00 0.00 C ATOM 671 CG2 VAL A 49 78.612 -3.852 9.316 1.00 0.00 C ATOM 0 H VAL A 49 79.195 -3.797 5.949 1.00 0.00 H new ATOM 0 HA VAL A 49 80.642 -2.481 8.226 1.00 0.00 H new ATOM 0 HB VAL A 49 79.514 -5.303 7.997 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.450 -5.606 10.282 1.00 0.00 H new ATOM 0 HG12 VAL A 49 81.741 -5.264 9.106 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.172 -3.981 10.200 1.00 0.00 H new ATOM 0 HG21 VAL A 49 78.189 -4.606 9.980 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.925 -2.987 9.901 1.00 0.00 H new ATOM 0 HG23 VAL A 49 77.860 -3.545 8.589 1.00 0.00 H new ATOM 681 N PHE A 50 82.818 -3.420 7.418 1.00 0.00 N ATOM 682 CA PHE A 50 84.115 -3.906 6.865 1.00 0.00 C ATOM 683 C PHE A 50 84.779 -4.828 7.893 1.00 0.00 C ATOM 684 O PHE A 50 85.031 -4.440 9.017 1.00 0.00 O ATOM 685 CB PHE A 50 85.023 -2.698 6.573 1.00 0.00 C ATOM 686 CG PHE A 50 84.688 -2.132 5.207 1.00 0.00 C ATOM 687 CD1 PHE A 50 85.336 -2.648 4.079 1.00 0.00 C ATOM 688 CD2 PHE A 50 83.736 -1.109 5.061 1.00 0.00 C ATOM 689 CE1 PHE A 50 85.038 -2.148 2.808 1.00 0.00 C ATOM 690 CE2 PHE A 50 83.440 -0.609 3.786 1.00 0.00 C ATOM 691 CZ PHE A 50 84.091 -1.130 2.661 1.00 0.00 C ATOM 0 H PHE A 50 82.900 -2.678 8.113 1.00 0.00 H new ATOM 0 HA PHE A 50 83.948 -4.458 5.940 1.00 0.00 H new ATOM 0 HB2 PHE A 50 84.887 -1.934 7.338 1.00 0.00 H new ATOM 0 HB3 PHE A 50 86.070 -3.000 6.607 1.00 0.00 H new ATOM 0 HD1 PHE A 50 86.068 -3.434 4.191 1.00 0.00 H new ATOM 0 HD2 PHE A 50 83.234 -0.709 5.929 1.00 0.00 H new ATOM 0 HE1 PHE A 50 85.540 -2.548 1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 50 82.710 0.178 3.671 1.00 0.00 H new ATOM 0 HZ PHE A 50 83.861 -0.745 1.678 1.00 0.00 H new ATOM 701 N TYR A 51 85.063 -6.047 7.514 1.00 0.00 N ATOM 702 CA TYR A 51 85.712 -7.008 8.461 1.00 0.00 C ATOM 703 C TYR A 51 87.218 -7.038 8.192 1.00 0.00 C ATOM 704 O TYR A 51 87.650 -7.230 7.072 1.00 0.00 O ATOM 705 CB TYR A 51 85.131 -8.411 8.233 1.00 0.00 C ATOM 706 CG TYR A 51 83.794 -8.542 8.922 1.00 0.00 C ATOM 707 CD1 TYR A 51 82.631 -8.085 8.292 1.00 0.00 C ATOM 708 CD2 TYR A 51 83.718 -9.136 10.187 1.00 0.00 C ATOM 709 CE1 TYR A 51 81.391 -8.222 8.928 1.00 0.00 C ATOM 710 CE2 TYR A 51 82.480 -9.270 10.823 1.00 0.00 C ATOM 711 CZ TYR A 51 81.317 -8.814 10.195 1.00 0.00 C ATOM 712 OH TYR A 51 80.097 -8.950 10.822 1.00 0.00 O ATOM 0 H TYR A 51 84.873 -6.422 6.585 1.00 0.00 H new ATOM 0 HA TYR A 51 85.527 -6.695 9.489 1.00 0.00 H new ATOM 0 HB2 TYR A 51 85.017 -8.596 7.165 1.00 0.00 H new ATOM 0 HB3 TYR A 51 85.820 -9.164 8.615 1.00 0.00 H new ATOM 0 HD1 TYR A 51 82.690 -7.627 7.316 1.00 0.00 H new ATOM 0 HD2 TYR A 51 84.615 -9.491 10.672 1.00 0.00 H new ATOM 0 HE1 TYR A 51 80.493 -7.871 8.442 1.00 0.00 H new ATOM 0 HE2 TYR A 51 82.422 -9.726 11.800 1.00 0.00 H new ATOM 0 HH TYR A 51 80.223 -9.382 11.693 1.00 0.00 H new ATOM 722 N TYR A 52 88.019 -6.851 9.213 1.00 0.00 N ATOM 723 CA TYR A 52 89.503 -6.867 9.032 1.00 0.00 C ATOM 724 C TYR A 52 90.089 -8.084 9.752 1.00 0.00 C ATOM 725 O TYR A 52 89.828 -8.305 10.918 1.00 0.00 O ATOM 726 CB TYR A 52 90.086 -5.591 9.640 1.00 0.00 C ATOM 727 CG TYR A 52 89.496 -4.388 8.942 1.00 0.00 C ATOM 728 CD1 TYR A 52 90.064 -3.919 7.752 1.00 0.00 C ATOM 729 CD2 TYR A 52 88.377 -3.742 9.486 1.00 0.00 C ATOM 730 CE1 TYR A 52 89.514 -2.806 7.106 1.00 0.00 C ATOM 731 CE2 TYR A 52 87.829 -2.629 8.839 1.00 0.00 C ATOM 732 CZ TYR A 52 88.398 -2.160 7.649 1.00 0.00 C ATOM 733 OH TYR A 52 87.858 -1.064 7.009 1.00 0.00 O ATOM 0 H TYR A 52 87.705 -6.687 10.170 1.00 0.00 H new ATOM 0 HA TYR A 52 89.748 -6.921 7.971 1.00 0.00 H new ATOM 0 HB2 TYR A 52 89.867 -5.550 10.707 1.00 0.00 H new ATOM 0 HB3 TYR A 52 91.171 -5.589 9.537 1.00 0.00 H new ATOM 0 HD1 TYR A 52 90.926 -4.416 7.332 1.00 0.00 H new ATOM 0 HD2 TYR A 52 87.938 -4.103 10.404 1.00 0.00 H new ATOM 0 HE1 TYR A 52 89.952 -2.445 6.187 1.00 0.00 H new ATOM 0 HE2 TYR A 52 86.967 -2.132 9.258 1.00 0.00 H new ATOM 0 HH TYR A 52 87.087 -0.735 7.517 1.00 0.00 H new ATOM 743 N ASN A 53 90.881 -8.871 9.066 1.00 0.00 N ATOM 744 CA ASN A 53 91.496 -10.079 9.704 1.00 0.00 C ATOM 745 C ASN A 53 91.997 -9.726 11.105 1.00 0.00 C ATOM 746 O ASN A 53 92.215 -10.586 11.936 1.00 0.00 O ATOM 747 CB ASN A 53 92.684 -10.563 8.863 1.00 0.00 C ATOM 748 CG ASN A 53 92.303 -10.584 7.384 1.00 0.00 C ATOM 749 OD1 ASN A 53 91.563 -9.739 6.924 1.00 0.00 O ATOM 750 ND2 ASN A 53 92.782 -11.521 6.613 1.00 0.00 N ATOM 0 H ASN A 53 91.130 -8.729 8.087 1.00 0.00 H new ATOM 0 HA ASN A 53 90.743 -10.865 9.767 1.00 0.00 H new ATOM 0 HB2 ASN A 53 93.541 -9.907 9.017 1.00 0.00 H new ATOM 0 HB3 ASN A 53 92.985 -11.560 9.184 1.00 0.00 H new ATOM 0 HD21 ASN A 53 92.535 -11.543 5.624 1.00 0.00 H new ATOM 0 HD22 ASN A 53 93.404 -12.231 6.999 1.00 0.00 H new ATOM 757 N ASP A 54 92.194 -8.464 11.364 1.00 0.00 N ATOM 758 CA ASP A 54 92.701 -8.043 12.700 1.00 0.00 C ATOM 759 C ASP A 54 91.628 -8.312 13.759 1.00 0.00 C ATOM 760 O ASP A 54 91.818 -8.051 14.930 1.00 0.00 O ATOM 761 CB ASP A 54 93.036 -6.546 12.658 1.00 0.00 C ATOM 762 CG ASP A 54 93.967 -6.195 13.822 1.00 0.00 C ATOM 763 OD1 ASP A 54 93.476 -6.066 14.930 1.00 0.00 O ATOM 764 OD2 ASP A 54 95.156 -6.066 13.582 1.00 0.00 O ATOM 0 H ASP A 54 92.025 -7.703 10.706 1.00 0.00 H new ATOM 0 HA ASP A 54 93.598 -8.607 12.954 1.00 0.00 H new ATOM 0 HB2 ASP A 54 93.512 -6.296 11.710 1.00 0.00 H new ATOM 0 HB3 ASP A 54 92.121 -5.956 12.720 1.00 0.00 H new ATOM 769 N GLY A 55 90.509 -8.851 13.358 1.00 0.00 N ATOM 770 CA GLY A 55 89.432 -9.159 14.342 1.00 0.00 C ATOM 771 C GLY A 55 88.675 -7.887 14.725 1.00 0.00 C ATOM 772 O GLY A 55 88.067 -7.820 15.774 1.00 0.00 O ATOM 0 H GLY A 55 90.294 -9.092 12.390 1.00 0.00 H new ATOM 0 HA2 GLY A 55 88.740 -9.886 13.917 1.00 0.00 H new ATOM 0 HA3 GLY A 55 89.865 -9.614 15.233 1.00 0.00 H new ATOM 776 N THR A 56 88.699 -6.880 13.884 1.00 0.00 N ATOM 777 CA THR A 56 87.970 -5.605 14.198 1.00 0.00 C ATOM 778 C THR A 56 86.926 -5.335 13.123 1.00 0.00 C ATOM 779 O THR A 56 87.112 -5.652 11.970 1.00 0.00 O ATOM 780 CB THR A 56 88.961 -4.436 14.250 1.00 0.00 C ATOM 781 OG1 THR A 56 89.882 -4.550 13.175 1.00 0.00 O ATOM 782 CG2 THR A 56 89.714 -4.459 15.582 1.00 0.00 C ATOM 0 H THR A 56 89.193 -6.884 12.991 1.00 0.00 H new ATOM 0 HA THR A 56 87.480 -5.705 15.166 1.00 0.00 H new ATOM 0 HB THR A 56 88.418 -3.495 14.163 1.00 0.00 H new ATOM 0 HG1 THR A 56 90.515 -3.803 13.206 1.00 0.00 H new ATOM 0 HG21 THR A 56 90.418 -3.627 15.617 1.00 0.00 H new ATOM 0 HG22 THR A 56 89.003 -4.367 16.403 1.00 0.00 H new ATOM 0 HG23 THR A 56 90.258 -5.399 15.676 1.00 0.00 H new ATOM 790 N THR A 57 85.820 -4.750 13.503 1.00 0.00 N ATOM 791 CA THR A 57 84.738 -4.448 12.514 1.00 0.00 C ATOM 792 C THR A 57 84.287 -3.000 12.661 1.00 0.00 C ATOM 793 O THR A 57 84.137 -2.488 13.753 1.00 0.00 O ATOM 794 CB THR A 57 83.533 -5.365 12.764 1.00 0.00 C ATOM 795 OG1 THR A 57 83.138 -5.266 14.123 1.00 0.00 O ATOM 796 CG2 THR A 57 83.905 -6.812 12.449 1.00 0.00 C ATOM 0 H THR A 57 85.617 -4.466 14.461 1.00 0.00 H new ATOM 0 HA THR A 57 85.129 -4.613 11.510 1.00 0.00 H new ATOM 0 HB THR A 57 82.710 -5.058 12.118 1.00 0.00 H new ATOM 0 HG1 THR A 57 82.367 -5.850 14.283 1.00 0.00 H new ATOM 0 HG21 THR A 57 83.044 -7.456 12.629 1.00 0.00 H new ATOM 0 HG22 THR A 57 84.205 -6.891 11.404 1.00 0.00 H new ATOM 0 HG23 THR A 57 84.731 -7.123 13.089 1.00 0.00 H new ATOM 804 N SER A 58 84.041 -2.356 11.557 1.00 0.00 N ATOM 805 CA SER A 58 83.557 -0.944 11.567 1.00 0.00 C ATOM 806 C SER A 58 82.189 -0.954 10.897 1.00 0.00 C ATOM 807 O SER A 58 81.993 -1.657 9.931 1.00 0.00 O ATOM 808 CB SER A 58 84.515 -0.060 10.769 1.00 0.00 C ATOM 809 OG SER A 58 84.049 1.282 10.797 1.00 0.00 O ATOM 0 H SER A 58 84.157 -2.756 10.626 1.00 0.00 H new ATOM 0 HA SER A 58 83.501 -0.552 12.582 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.518 -0.118 11.191 1.00 0.00 H new ATOM 0 HB3 SER A 58 84.582 -0.413 9.740 1.00 0.00 H new ATOM 0 HG SER A 58 84.662 1.852 10.287 1.00 0.00 H new ATOM 815 N ASN A 59 81.235 -0.203 11.389 1.00 0.00 N ATOM 816 CA ASN A 59 79.878 -0.208 10.753 1.00 0.00 C ATOM 817 C ASN A 59 79.423 1.226 10.497 1.00 0.00 C ATOM 818 O ASN A 59 79.254 2.003 11.415 1.00 0.00 O ATOM 819 CB ASN A 59 78.885 -0.882 11.703 1.00 0.00 C ATOM 820 CG ASN A 59 79.459 -2.217 12.184 1.00 0.00 C ATOM 821 OD1 ASN A 59 78.819 -3.242 12.068 1.00 0.00 O ATOM 822 ND2 ASN A 59 80.646 -2.245 12.725 1.00 0.00 N ATOM 0 H ASN A 59 81.334 0.410 12.198 1.00 0.00 H new ATOM 0 HA ASN A 59 79.923 -0.749 9.808 1.00 0.00 H new ATOM 0 HB2 ASN A 59 78.684 -0.233 12.555 1.00 0.00 H new ATOM 0 HB3 ASN A 59 77.934 -1.045 11.195 1.00 0.00 H new ATOM 0 HD21 ASN A 59 81.037 -3.129 13.051 1.00 0.00 H new ATOM 0 HD22 ASN A 59 81.183 -1.383 12.822 1.00 0.00 H new ATOM 829 N PHE A 60 79.200 1.572 9.252 1.00 0.00 N ATOM 830 CA PHE A 60 78.726 2.947 8.914 1.00 0.00 C ATOM 831 C PHE A 60 77.333 2.836 8.312 1.00 0.00 C ATOM 832 O PHE A 60 77.110 2.122 7.356 1.00 0.00 O ATOM 833 CB PHE A 60 79.664 3.589 7.901 1.00 0.00 C ATOM 834 CG PHE A 60 79.246 5.020 7.659 1.00 0.00 C ATOM 835 CD1 PHE A 60 78.327 5.318 6.645 1.00 0.00 C ATOM 836 CD2 PHE A 60 79.778 6.049 8.446 1.00 0.00 C ATOM 837 CE1 PHE A 60 77.940 6.643 6.420 1.00 0.00 C ATOM 838 CE2 PHE A 60 79.390 7.376 8.220 1.00 0.00 C ATOM 839 CZ PHE A 60 78.470 7.672 7.207 1.00 0.00 C ATOM 0 H PHE A 60 79.328 0.954 8.451 1.00 0.00 H new ATOM 0 HA PHE A 60 78.707 3.563 9.813 1.00 0.00 H new ATOM 0 HB2 PHE A 60 80.690 3.556 8.268 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.643 3.030 6.965 1.00 0.00 H new ATOM 0 HD1 PHE A 60 77.917 4.525 6.037 1.00 0.00 H new ATOM 0 HD2 PHE A 60 80.487 5.819 9.227 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.231 6.872 5.638 1.00 0.00 H new ATOM 0 HE2 PHE A 60 79.800 8.170 8.827 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.169 8.695 7.033 1.00 0.00 H new ATOM 849 N LYS A 61 76.401 3.544 8.872 1.00 0.00 N ATOM 850 CA LYS A 61 75.002 3.514 8.373 1.00 0.00 C ATOM 851 C LYS A 61 74.661 4.876 7.790 1.00 0.00 C ATOM 852 O LYS A 61 75.154 5.900 8.222 1.00 0.00 O ATOM 853 CB LYS A 61 74.046 3.202 9.527 1.00 0.00 C ATOM 854 CG LYS A 61 72.607 3.176 9.001 1.00 0.00 C ATOM 855 CD LYS A 61 71.660 2.727 10.112 1.00 0.00 C ATOM 856 CE LYS A 61 70.213 2.992 9.689 1.00 0.00 C ATOM 857 NZ LYS A 61 69.907 2.219 8.452 1.00 0.00 N ATOM 0 H LYS A 61 76.552 4.157 9.673 1.00 0.00 H new ATOM 0 HA LYS A 61 74.902 2.743 7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 61 74.299 2.241 9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 61 74.145 3.954 10.310 1.00 0.00 H new ATOM 0 HG2 LYS A 61 72.322 4.166 8.645 1.00 0.00 H new ATOM 0 HG3 LYS A 61 72.533 2.498 8.151 1.00 0.00 H new ATOM 0 HD2 LYS A 61 71.801 1.666 10.318 1.00 0.00 H new ATOM 0 HD3 LYS A 61 71.884 3.263 11.034 1.00 0.00 H new ATOM 0 HE2 LYS A 61 69.531 2.704 10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 61 70.064 4.057 9.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 68.879 2.205 8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 70.374 2.667 7.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 70.254 1.244 8.557 1.00 0.00 H new ATOM 871 N GLY A 62 73.819 4.887 6.815 1.00 0.00 N ATOM 872 CA GLY A 62 73.417 6.169 6.178 1.00 0.00 C ATOM 873 C GLY A 62 72.219 5.913 5.269 1.00 0.00 C ATOM 874 O GLY A 62 71.899 4.783 4.962 1.00 0.00 O ATOM 0 H GLY A 62 73.381 4.055 6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 62 73.162 6.905 6.940 1.00 0.00 H new ATOM 0 HA3 GLY A 62 74.246 6.581 5.602 1.00 0.00 H new ATOM 878 N VAL A 63 71.553 6.953 4.838 1.00 0.00 N ATOM 879 CA VAL A 63 70.363 6.783 3.949 1.00 0.00 C ATOM 880 C VAL A 63 70.726 7.261 2.542 1.00 0.00 C ATOM 881 O VAL A 63 71.180 8.371 2.351 1.00 0.00 O ATOM 882 CB VAL A 63 69.204 7.618 4.494 1.00 0.00 C ATOM 883 CG1 VAL A 63 67.960 7.394 3.630 1.00 0.00 C ATOM 884 CG2 VAL A 63 68.905 7.189 5.934 1.00 0.00 C ATOM 0 H VAL A 63 71.784 7.920 5.065 1.00 0.00 H new ATOM 0 HA VAL A 63 70.066 5.735 3.915 1.00 0.00 H new ATOM 0 HB VAL A 63 69.475 8.674 4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 63 67.134 7.990 4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 63 68.171 7.694 2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.688 6.339 3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 63 68.079 7.782 6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 63 68.634 6.133 5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 63 69.789 7.346 6.551 1.00 0.00 H new ATOM 894 N VAL A 64 70.539 6.422 1.556 1.00 0.00 N ATOM 895 CA VAL A 64 70.882 6.811 0.155 1.00 0.00 C ATOM 896 C VAL A 64 69.638 7.362 -0.556 1.00 0.00 C ATOM 897 O VAL A 64 68.626 6.693 -0.677 1.00 0.00 O ATOM 898 CB VAL A 64 71.425 5.573 -0.591 1.00 0.00 C ATOM 899 CG1 VAL A 64 70.275 4.668 -1.052 1.00 0.00 C ATOM 900 CG2 VAL A 64 72.246 6.021 -1.810 1.00 0.00 C ATOM 0 H VAL A 64 70.162 5.480 1.661 1.00 0.00 H new ATOM 0 HA VAL A 64 71.644 7.590 0.164 1.00 0.00 H new ATOM 0 HB VAL A 64 72.060 5.009 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 64 70.681 3.802 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 64 69.705 4.334 -0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 64 69.621 5.224 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.627 5.145 -2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 64 71.612 6.599 -2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 64 73.081 6.638 -1.479 1.00 0.00 H new ATOM 910 N THR A 65 69.720 8.582 -1.031 1.00 0.00 N ATOM 911 CA THR A 65 68.571 9.216 -1.755 1.00 0.00 C ATOM 912 C THR A 65 69.088 9.745 -3.101 1.00 0.00 C ATOM 913 O THR A 65 70.241 10.110 -3.215 1.00 0.00 O ATOM 914 CB THR A 65 68.030 10.384 -0.927 1.00 0.00 C ATOM 915 OG1 THR A 65 68.881 11.511 -1.086 1.00 0.00 O ATOM 916 CG2 THR A 65 67.980 9.987 0.547 1.00 0.00 C ATOM 0 H THR A 65 70.546 9.174 -0.947 1.00 0.00 H new ATOM 0 HA THR A 65 67.774 8.489 -1.912 1.00 0.00 H new ATOM 0 HB THR A 65 67.026 10.635 -1.268 1.00 0.00 H new ATOM 0 HG1 THR A 65 68.534 12.260 -0.557 1.00 0.00 H new ATOM 0 HG21 THR A 65 67.595 10.820 1.135 1.00 0.00 H new ATOM 0 HG22 THR A 65 67.326 9.123 0.669 1.00 0.00 H new ATOM 0 HG23 THR A 65 68.983 9.734 0.890 1.00 0.00 H new ATOM 924 N PRO A 66 68.261 9.786 -4.117 1.00 0.00 N ATOM 925 CA PRO A 66 68.669 10.276 -5.461 1.00 0.00 C ATOM 926 C PRO A 66 69.687 11.425 -5.407 1.00 0.00 C ATOM 927 O PRO A 66 70.588 11.498 -6.218 1.00 0.00 O ATOM 928 CB PRO A 66 67.348 10.751 -6.065 1.00 0.00 C ATOM 929 CG PRO A 66 66.311 9.834 -5.485 1.00 0.00 C ATOM 930 CD PRO A 66 66.841 9.378 -4.112 1.00 0.00 C ATOM 0 HA PRO A 66 69.174 9.501 -6.038 1.00 0.00 H new ATOM 0 HB2 PRO A 66 67.146 11.791 -5.807 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.366 10.690 -7.153 1.00 0.00 H new ATOM 0 HG2 PRO A 66 65.355 10.348 -5.380 1.00 0.00 H new ATOM 0 HG3 PRO A 66 66.142 8.978 -6.138 1.00 0.00 H new ATOM 0 HD2 PRO A 66 66.294 9.851 -3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 66 66.737 8.301 -3.983 1.00 0.00 H new ATOM 938 N SER A 67 69.545 12.331 -4.472 1.00 0.00 N ATOM 939 CA SER A 67 70.499 13.484 -4.391 1.00 0.00 C ATOM 940 C SER A 67 71.576 13.234 -3.326 1.00 0.00 C ATOM 941 O SER A 67 72.503 14.009 -3.196 1.00 0.00 O ATOM 942 CB SER A 67 69.720 14.751 -4.033 1.00 0.00 C ATOM 943 OG SER A 67 70.613 15.712 -3.489 1.00 0.00 O ATOM 0 H SER A 67 68.812 12.324 -3.762 1.00 0.00 H new ATOM 0 HA SER A 67 70.990 13.599 -5.357 1.00 0.00 H new ATOM 0 HB2 SER A 67 69.230 15.153 -4.920 1.00 0.00 H new ATOM 0 HB3 SER A 67 68.935 14.518 -3.313 1.00 0.00 H new ATOM 0 HG SER A 67 71.534 15.387 -3.573 1.00 0.00 H new ATOM 949 N THR A 68 71.469 12.171 -2.559 1.00 0.00 N ATOM 950 CA THR A 68 72.499 11.892 -1.498 1.00 0.00 C ATOM 951 C THR A 68 73.037 10.451 -1.632 1.00 0.00 C ATOM 952 O THR A 68 72.352 9.511 -1.276 1.00 0.00 O ATOM 953 CB THR A 68 71.844 12.034 -0.122 1.00 0.00 C ATOM 954 OG1 THR A 68 71.214 13.305 -0.024 1.00 0.00 O ATOM 955 CG2 THR A 68 72.909 11.908 0.968 1.00 0.00 C ATOM 0 H THR A 68 70.716 11.486 -2.620 1.00 0.00 H new ATOM 0 HA THR A 68 73.322 12.598 -1.613 1.00 0.00 H new ATOM 0 HB THR A 68 71.099 11.248 0.006 1.00 0.00 H new ATOM 0 HG1 THR A 68 70.284 13.233 -0.325 1.00 0.00 H new ATOM 0 HG21 THR A 68 72.441 12.009 1.947 1.00 0.00 H new ATOM 0 HG22 THR A 68 73.391 10.933 0.895 1.00 0.00 H new ATOM 0 HG23 THR A 68 73.655 12.692 0.840 1.00 0.00 H new ATOM 963 N PRO A 69 74.258 10.263 -2.102 1.00 0.00 N ATOM 964 CA PRO A 69 74.868 8.911 -2.226 1.00 0.00 C ATOM 965 C PRO A 69 75.646 8.520 -0.954 1.00 0.00 C ATOM 966 O PRO A 69 75.973 9.364 -0.142 1.00 0.00 O ATOM 967 CB PRO A 69 75.819 9.087 -3.405 1.00 0.00 C ATOM 968 CG PRO A 69 76.315 10.495 -3.283 1.00 0.00 C ATOM 969 CD PRO A 69 75.198 11.299 -2.582 1.00 0.00 C ATOM 0 HA PRO A 69 74.130 8.121 -2.365 1.00 0.00 H new ATOM 0 HB2 PRO A 69 76.641 8.372 -3.362 1.00 0.00 H new ATOM 0 HB3 PRO A 69 75.307 8.928 -4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 69 77.239 10.531 -2.706 1.00 0.00 H new ATOM 0 HG3 PRO A 69 76.536 10.914 -4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 69 75.592 11.894 -1.758 1.00 0.00 H new ATOM 0 HD3 PRO A 69 74.712 11.991 -3.270 1.00 0.00 H new ATOM 977 N VAL A 70 75.948 7.252 -0.780 1.00 0.00 N ATOM 978 CA VAL A 70 76.714 6.800 0.434 1.00 0.00 C ATOM 979 C VAL A 70 78.014 6.130 -0.024 1.00 0.00 C ATOM 980 O VAL A 70 78.006 5.284 -0.896 1.00 0.00 O ATOM 981 CB VAL A 70 75.876 5.798 1.228 1.00 0.00 C ATOM 982 CG1 VAL A 70 76.653 5.358 2.470 1.00 0.00 C ATOM 983 CG2 VAL A 70 74.563 6.461 1.654 1.00 0.00 C ATOM 0 H VAL A 70 75.696 6.506 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 70 76.940 7.657 1.068 1.00 0.00 H new ATOM 0 HB VAL A 70 75.660 4.928 0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 70 76.057 4.643 3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 70 77.589 4.890 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 70 76.867 6.227 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 70 73.963 5.749 2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 70 74.779 7.329 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 70 74.011 6.777 0.769 1.00 0.00 H new ATOM 993 N ASN A 71 79.137 6.518 0.535 1.00 0.00 N ATOM 994 CA ASN A 71 80.447 5.924 0.105 1.00 0.00 C ATOM 995 C ASN A 71 80.937 4.859 1.101 1.00 0.00 C ATOM 996 O ASN A 71 81.058 5.116 2.282 1.00 0.00 O ATOM 997 CB ASN A 71 81.491 7.043 0.039 1.00 0.00 C ATOM 998 CG ASN A 71 81.618 7.709 1.409 1.00 0.00 C ATOM 999 OD1 ASN A 71 80.674 7.735 2.172 1.00 0.00 O ATOM 1000 ND2 ASN A 71 82.753 8.249 1.755 1.00 0.00 N ATOM 0 H ASN A 71 79.204 7.221 1.271 1.00 0.00 H new ATOM 0 HA ASN A 71 80.308 5.451 -0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 71 82.454 6.637 -0.270 1.00 0.00 H new ATOM 0 HB3 ASN A 71 81.201 7.781 -0.709 1.00 0.00 H new ATOM 0 HD21 ASN A 71 82.849 8.694 2.668 1.00 0.00 H new ATOM 0 HD22 ASN A 71 83.545 8.226 1.113 1.00 0.00 H new ATOM 1007 N THR A 72 81.263 3.679 0.634 1.00 0.00 N ATOM 1008 CA THR A 72 81.793 2.618 1.551 1.00 0.00 C ATOM 1009 C THR A 72 83.322 2.700 1.515 1.00 0.00 C ATOM 1010 O THR A 72 84.018 1.823 1.986 1.00 0.00 O ATOM 1011 CB THR A 72 81.347 1.216 1.072 1.00 0.00 C ATOM 1012 OG1 THR A 72 82.419 0.577 0.393 1.00 0.00 O ATOM 1013 CG2 THR A 72 80.159 1.334 0.117 1.00 0.00 C ATOM 0 H THR A 72 81.185 3.403 -0.345 1.00 0.00 H new ATOM 0 HA THR A 72 81.412 2.773 2.560 1.00 0.00 H new ATOM 0 HB THR A 72 81.055 0.630 1.943 1.00 0.00 H new ATOM 0 HG1 THR A 72 82.133 -0.311 0.093 1.00 0.00 H new ATOM 0 HG21 THR A 72 79.856 0.340 -0.212 1.00 0.00 H new ATOM 0 HG22 THR A 72 79.326 1.816 0.630 1.00 0.00 H new ATOM 0 HG23 THR A 72 80.446 1.931 -0.749 1.00 0.00 H new ATOM 1021 N ASN A 73 83.843 3.745 0.931 1.00 0.00 N ATOM 1022 CA ASN A 73 85.320 3.894 0.828 1.00 0.00 C ATOM 1023 C ASN A 73 85.897 4.364 2.161 1.00 0.00 C ATOM 1024 O ASN A 73 86.557 5.380 2.243 1.00 0.00 O ATOM 1025 CB ASN A 73 85.651 4.914 -0.267 1.00 0.00 C ATOM 1026 CG ASN A 73 85.232 6.319 0.179 1.00 0.00 C ATOM 1027 OD1 ASN A 73 84.488 6.472 1.128 1.00 0.00 O ATOM 1028 ND2 ASN A 73 85.680 7.355 -0.476 1.00 0.00 N ATOM 0 H ASN A 73 83.304 4.506 0.519 1.00 0.00 H new ATOM 0 HA ASN A 73 85.760 2.929 0.576 1.00 0.00 H new ATOM 0 HB2 ASN A 73 86.720 4.895 -0.481 1.00 0.00 H new ATOM 0 HB3 ASN A 73 85.136 4.648 -1.190 1.00 0.00 H new ATOM 0 HD21 ASN A 73 85.406 8.296 -0.192 1.00 0.00 H new ATOM 0 HD22 ASN A 73 86.304 7.224 -1.272 1.00 0.00 H new ATOM 1035 N GLN A 74 85.670 3.619 3.202 1.00 0.00 N ATOM 1036 CA GLN A 74 86.225 4.013 4.529 1.00 0.00 C ATOM 1037 C GLN A 74 87.752 4.048 4.413 1.00 0.00 C ATOM 1038 O GLN A 74 88.289 4.157 3.331 1.00 0.00 O ATOM 1039 CB GLN A 74 85.810 2.985 5.584 1.00 0.00 C ATOM 1040 CG GLN A 74 84.292 3.030 5.770 1.00 0.00 C ATOM 1041 CD GLN A 74 83.872 2.004 6.823 1.00 0.00 C ATOM 1042 OE1 GLN A 74 82.698 1.793 7.047 1.00 0.00 O ATOM 1043 NE2 GLN A 74 84.791 1.359 7.490 1.00 0.00 N ATOM 0 H GLN A 74 85.126 2.756 3.195 1.00 0.00 H new ATOM 0 HA GLN A 74 85.846 4.991 4.825 1.00 0.00 H new ATOM 0 HB2 GLN A 74 86.120 1.986 5.276 1.00 0.00 H new ATOM 0 HB3 GLN A 74 86.309 3.196 6.529 1.00 0.00 H new ATOM 0 HG2 GLN A 74 83.983 4.029 6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 74 83.793 2.820 4.824 1.00 0.00 H new ATOM 0 HE21 GLN A 74 85.777 1.537 7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 74 84.522 0.677 8.200 1.00 0.00 H new ATOM 1052 N ASP A 75 88.463 3.953 5.504 1.00 0.00 N ATOM 1053 CA ASP A 75 89.950 3.979 5.409 1.00 0.00 C ATOM 1054 C ASP A 75 90.413 2.754 4.617 1.00 0.00 C ATOM 1055 O ASP A 75 90.447 1.650 5.121 1.00 0.00 O ATOM 1056 CB ASP A 75 90.556 3.945 6.813 1.00 0.00 C ATOM 1057 CG ASP A 75 90.286 5.275 7.519 1.00 0.00 C ATOM 1058 OD1 ASP A 75 90.085 6.261 6.830 1.00 0.00 O ATOM 1059 OD2 ASP A 75 90.289 5.284 8.738 1.00 0.00 O ATOM 0 H ASP A 75 88.084 3.860 6.446 1.00 0.00 H new ATOM 0 HA ASP A 75 90.274 4.890 4.906 1.00 0.00 H new ATOM 0 HB2 ASP A 75 90.126 3.123 7.386 1.00 0.00 H new ATOM 0 HB3 ASP A 75 91.629 3.765 6.753 1.00 0.00 H new ATOM 1064 N ILE A 76 90.753 2.944 3.372 1.00 0.00 N ATOM 1065 CA ILE A 76 91.198 1.798 2.528 1.00 0.00 C ATOM 1066 C ILE A 76 92.659 1.458 2.819 1.00 0.00 C ATOM 1067 O ILE A 76 93.125 0.385 2.492 1.00 0.00 O ATOM 1068 CB ILE A 76 91.037 2.159 1.049 1.00 0.00 C ATOM 1069 CG1 ILE A 76 89.550 2.353 0.741 1.00 0.00 C ATOM 1070 CG2 ILE A 76 91.593 1.030 0.179 1.00 0.00 C ATOM 1071 CD1 ILE A 76 89.384 2.952 -0.657 1.00 0.00 C ATOM 0 H ILE A 76 90.742 3.848 2.900 1.00 0.00 H new ATOM 0 HA ILE A 76 90.583 0.928 2.761 1.00 0.00 H new ATOM 0 HB ILE A 76 91.583 3.078 0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 76 89.029 1.397 0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 76 89.098 3.010 1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 76 91.477 1.290 -0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 76 92.650 0.885 0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 76 91.049 0.109 0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 76 88.324 3.088 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 76 89.890 3.916 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 76 89.820 2.279 -1.395 1.00 0.00 H new ATOM 1083 N ASN A 77 93.395 2.353 3.419 1.00 0.00 N ATOM 1084 CA ASN A 77 94.822 2.041 3.702 1.00 0.00 C ATOM 1085 C ASN A 77 94.877 0.808 4.603 1.00 0.00 C ATOM 1086 O ASN A 77 95.708 -0.056 4.434 1.00 0.00 O ATOM 1087 CB ASN A 77 95.479 3.227 4.412 1.00 0.00 C ATOM 1088 CG ASN A 77 95.464 4.448 3.492 1.00 0.00 C ATOM 1089 OD1 ASN A 77 96.110 4.458 2.464 1.00 0.00 O ATOM 1090 ND2 ASN A 77 94.741 5.485 3.819 1.00 0.00 N ATOM 0 H ASN A 77 93.075 3.273 3.721 1.00 0.00 H new ATOM 0 HA ASN A 77 95.355 1.849 2.771 1.00 0.00 H new ATOM 0 HB2 ASN A 77 94.948 3.450 5.337 1.00 0.00 H new ATOM 0 HB3 ASN A 77 96.504 2.978 4.685 1.00 0.00 H new ATOM 0 HD21 ASN A 77 94.719 6.304 3.211 1.00 0.00 H new ATOM 0 HD22 ASN A 77 94.198 5.476 4.683 1.00 0.00 H new ATOM 1097 N LYS A 78 93.996 0.727 5.564 1.00 0.00 N ATOM 1098 CA LYS A 78 93.987 -0.451 6.484 1.00 0.00 C ATOM 1099 C LYS A 78 93.701 -1.707 5.670 1.00 0.00 C ATOM 1100 O LYS A 78 94.347 -2.728 5.799 1.00 0.00 O ATOM 1101 CB LYS A 78 92.847 -0.319 7.501 1.00 0.00 C ATOM 1102 CG LYS A 78 92.850 1.063 8.145 1.00 0.00 C ATOM 1103 CD LYS A 78 91.538 1.261 8.915 1.00 0.00 C ATOM 1104 CE LYS A 78 91.477 0.309 10.117 1.00 0.00 C ATOM 1105 NZ LYS A 78 91.051 -1.045 9.661 1.00 0.00 N ATOM 0 H LYS A 78 93.279 1.428 5.753 1.00 0.00 H new ATOM 0 HA LYS A 78 94.951 -0.503 6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 78 91.891 -0.492 7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 78 92.951 -1.084 8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 78 93.700 1.162 8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 78 92.958 1.833 7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 78 91.461 2.293 9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 78 90.690 1.079 8.255 1.00 0.00 H new ATOM 0 HE2 LYS A 78 92.453 0.251 10.598 1.00 0.00 H new ATOM 0 HE3 LYS A 78 90.777 0.690 10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 90.318 -1.412 10.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 90.669 -0.982 8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 91.869 -1.687 9.668 1.00 0.00 H new ATOM 1119 N THR A 79 92.696 -1.616 4.852 1.00 0.00 N ATOM 1120 CA THR A 79 92.268 -2.762 4.019 1.00 0.00 C ATOM 1121 C THR A 79 93.421 -3.191 3.103 1.00 0.00 C ATOM 1122 O THR A 79 93.700 -4.356 2.946 1.00 0.00 O ATOM 1123 CB THR A 79 91.016 -2.307 3.235 1.00 0.00 C ATOM 1124 OG1 THR A 79 89.894 -3.051 3.681 1.00 0.00 O ATOM 1125 CG2 THR A 79 91.175 -2.491 1.717 1.00 0.00 C ATOM 0 H THR A 79 92.140 -0.771 4.724 1.00 0.00 H new ATOM 0 HA THR A 79 92.012 -3.636 4.619 1.00 0.00 H new ATOM 0 HB THR A 79 90.877 -1.242 3.423 1.00 0.00 H new ATOM 0 HG1 THR A 79 89.071 -2.575 3.445 1.00 0.00 H new ATOM 0 HG21 THR A 79 90.268 -2.157 1.213 1.00 0.00 H new ATOM 0 HG22 THR A 79 92.023 -1.903 1.366 1.00 0.00 H new ATOM 0 HG23 THR A 79 91.347 -3.544 1.494 1.00 0.00 H new ATOM 1133 N ASN A 80 94.107 -2.267 2.514 1.00 0.00 N ATOM 1134 CA ASN A 80 95.241 -2.656 1.642 1.00 0.00 C ATOM 1135 C ASN A 80 96.296 -3.378 2.491 1.00 0.00 C ATOM 1136 O ASN A 80 96.928 -4.314 2.045 1.00 0.00 O ATOM 1137 CB ASN A 80 95.853 -1.410 0.994 1.00 0.00 C ATOM 1138 CG ASN A 80 96.846 -1.840 -0.085 1.00 0.00 C ATOM 1139 OD1 ASN A 80 96.908 -3.001 -0.436 1.00 0.00 O ATOM 1140 ND2 ASN A 80 97.628 -0.950 -0.631 1.00 0.00 N ATOM 0 H ASN A 80 93.936 -1.265 2.595 1.00 0.00 H new ATOM 0 HA ASN A 80 94.888 -3.320 0.853 1.00 0.00 H new ATOM 0 HB2 ASN A 80 95.069 -0.790 0.558 1.00 0.00 H new ATOM 0 HB3 ASN A 80 96.356 -0.804 1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 80 98.292 -1.229 -1.353 1.00 0.00 H new ATOM 0 HD22 ASN A 80 97.575 0.025 -0.336 1.00 0.00 H new ATOM 1147 N LYS A 81 96.495 -2.949 3.707 1.00 0.00 N ATOM 1148 CA LYS A 81 97.514 -3.609 4.571 1.00 0.00 C ATOM 1149 C LYS A 81 97.041 -4.994 5.022 1.00 0.00 C ATOM 1150 O LYS A 81 97.813 -5.933 5.049 1.00 0.00 O ATOM 1151 CB LYS A 81 97.765 -2.770 5.830 1.00 0.00 C ATOM 1152 CG LYS A 81 98.992 -3.320 6.588 1.00 0.00 C ATOM 1153 CD LYS A 81 98.904 -2.960 8.074 1.00 0.00 C ATOM 1154 CE LYS A 81 100.238 -3.289 8.746 1.00 0.00 C ATOM 1155 NZ LYS A 81 100.209 -2.851 10.169 1.00 0.00 N ATOM 0 H LYS A 81 95.997 -2.171 4.139 1.00 0.00 H new ATOM 0 HA LYS A 81 98.426 -3.703 3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 81 97.932 -1.728 5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 81 96.887 -2.794 6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 81 99.045 -4.402 6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 81 99.906 -2.909 6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 81 98.674 -1.901 8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 81 98.096 -3.516 8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 81 100.429 -4.361 8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 81 101.053 -2.792 8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 101.118 -3.077 10.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 100.046 -1.825 10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 99.442 -3.345 10.669 1.00 0.00 H new ATOM 1169 N VAL A 82 95.800 -5.116 5.442 1.00 0.00 N ATOM 1170 CA VAL A 82 95.303 -6.433 5.968 1.00 0.00 C ATOM 1171 C VAL A 82 94.235 -7.056 5.047 1.00 0.00 C ATOM 1172 O VAL A 82 94.108 -8.261 4.977 1.00 0.00 O ATOM 1173 CB VAL A 82 94.748 -6.185 7.380 1.00 0.00 C ATOM 1174 CG1 VAL A 82 93.363 -5.540 7.313 1.00 0.00 C ATOM 1175 CG2 VAL A 82 94.674 -7.507 8.146 1.00 0.00 C ATOM 0 H VAL A 82 95.112 -4.363 5.443 1.00 0.00 H new ATOM 0 HA VAL A 82 96.122 -7.151 6.001 1.00 0.00 H new ATOM 0 HB VAL A 82 95.419 -5.502 7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 82 92.990 -5.374 8.324 1.00 0.00 H new ATOM 0 HG12 VAL A 82 93.431 -4.586 6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 82 92.680 -6.200 6.778 1.00 0.00 H new ATOM 0 HG21 VAL A 82 94.280 -7.326 9.146 1.00 0.00 H new ATOM 0 HG22 VAL A 82 94.018 -8.198 7.617 1.00 0.00 H new ATOM 0 HG23 VAL A 82 95.671 -7.940 8.222 1.00 0.00 H new ATOM 1185 N GLY A 83 93.487 -6.266 4.321 1.00 0.00 N ATOM 1186 CA GLY A 83 92.466 -6.841 3.395 1.00 0.00 C ATOM 1187 C GLY A 83 91.124 -7.015 4.104 1.00 0.00 C ATOM 1188 O GLY A 83 91.026 -6.966 5.314 1.00 0.00 O ATOM 0 H GLY A 83 93.539 -5.247 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 83 92.344 -6.188 2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 83 92.811 -7.804 3.020 1.00 0.00 H new ATOM 1192 N VAL A 84 90.090 -7.223 3.333 1.00 0.00 N ATOM 1193 CA VAL A 84 88.715 -7.414 3.902 1.00 0.00 C ATOM 1194 C VAL A 84 88.290 -8.870 3.700 1.00 0.00 C ATOM 1195 O VAL A 84 88.289 -9.374 2.595 1.00 0.00 O ATOM 1196 CB VAL A 84 87.729 -6.518 3.154 1.00 0.00 C ATOM 1197 CG1 VAL A 84 86.355 -6.589 3.825 1.00 0.00 C ATOM 1198 CG2 VAL A 84 88.237 -5.077 3.167 1.00 0.00 C ATOM 0 H VAL A 84 90.137 -7.270 2.315 1.00 0.00 H new ATOM 0 HA VAL A 84 88.722 -7.162 4.962 1.00 0.00 H new ATOM 0 HB VAL A 84 87.641 -6.860 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 84 85.655 -5.949 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 84 85.994 -7.617 3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 84 86.437 -6.252 4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 84 87.533 -4.438 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 84 88.330 -4.733 4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 84 89.211 -5.030 2.680 1.00 0.00 H new ATOM 1208 N GLN A 85 87.933 -9.554 4.750 1.00 0.00 N ATOM 1209 CA GLN A 85 87.516 -10.976 4.598 1.00 0.00 C ATOM 1210 C GLN A 85 86.056 -11.051 4.134 1.00 0.00 C ATOM 1211 O GLN A 85 85.770 -11.517 3.050 1.00 0.00 O ATOM 1212 CB GLN A 85 87.672 -11.696 5.938 1.00 0.00 C ATOM 1213 CG GLN A 85 89.159 -11.781 6.283 1.00 0.00 C ATOM 1214 CD GLN A 85 89.343 -12.497 7.620 1.00 0.00 C ATOM 1215 OE1 GLN A 85 90.450 -12.821 8.001 1.00 0.00 O ATOM 1216 NE2 GLN A 85 88.297 -12.778 8.347 1.00 0.00 N ATOM 0 H GLN A 85 87.912 -9.192 5.704 1.00 0.00 H new ATOM 0 HA GLN A 85 88.147 -11.457 3.850 1.00 0.00 H new ATOM 0 HB2 GLN A 85 87.134 -11.160 6.719 1.00 0.00 H new ATOM 0 HB3 GLN A 85 87.240 -12.695 5.882 1.00 0.00 H new ATOM 0 HG2 GLN A 85 89.693 -12.316 5.498 1.00 0.00 H new ATOM 0 HG3 GLN A 85 89.587 -10.780 6.335 1.00 0.00 H new ATOM 0 HE21 GLN A 85 87.367 -12.507 8.029 1.00 0.00 H new ATOM 0 HE22 GLN A 85 88.409 -13.269 9.234 1.00 0.00 H new ATOM 1225 N LYS A 86 85.127 -10.606 4.956 1.00 0.00 N ATOM 1226 CA LYS A 86 83.676 -10.667 4.572 1.00 0.00 C ATOM 1227 C LYS A 86 83.092 -9.262 4.422 1.00 0.00 C ATOM 1228 O LYS A 86 83.356 -8.375 5.205 1.00 0.00 O ATOM 1229 CB LYS A 86 82.895 -11.401 5.664 1.00 0.00 C ATOM 1230 CG LYS A 86 83.418 -12.829 5.801 1.00 0.00 C ATOM 1231 CD LYS A 86 82.633 -13.556 6.894 1.00 0.00 C ATOM 1232 CE LYS A 86 83.154 -14.987 7.036 1.00 0.00 C ATOM 1233 NZ LYS A 86 82.387 -15.689 8.103 1.00 0.00 N ATOM 0 H LYS A 86 85.312 -10.204 5.875 1.00 0.00 H new ATOM 0 HA LYS A 86 83.596 -11.191 3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 86 82.996 -10.874 6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 86 81.833 -11.415 5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 86 83.317 -13.357 4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 86 84.480 -12.817 6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 86 82.734 -13.026 7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 86 81.572 -13.568 6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 86 83.052 -15.518 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 86 84.216 -14.976 7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 82.740 -16.662 8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 82.506 -15.185 9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 81.379 -15.710 7.849 1.00 0.00 H new ATOM 1247 N TYR A 87 82.266 -9.076 3.425 1.00 0.00 N ATOM 1248 CA TYR A 87 81.598 -7.758 3.197 1.00 0.00 C ATOM 1249 C TYR A 87 80.085 -7.993 3.239 1.00 0.00 C ATOM 1250 O TYR A 87 79.579 -8.859 2.553 1.00 0.00 O ATOM 1251 CB TYR A 87 82.001 -7.222 1.821 1.00 0.00 C ATOM 1252 CG TYR A 87 81.326 -5.898 1.569 1.00 0.00 C ATOM 1253 CD1 TYR A 87 80.067 -5.866 0.965 1.00 0.00 C ATOM 1254 CD2 TYR A 87 81.957 -4.703 1.938 1.00 0.00 C ATOM 1255 CE1 TYR A 87 79.433 -4.640 0.727 1.00 0.00 C ATOM 1256 CE2 TYR A 87 81.325 -3.475 1.700 1.00 0.00 C ATOM 1257 CZ TYR A 87 80.062 -3.444 1.093 1.00 0.00 C ATOM 1258 OH TYR A 87 79.439 -2.236 0.858 1.00 0.00 O ATOM 0 H TYR A 87 82.021 -9.796 2.746 1.00 0.00 H new ATOM 0 HA TYR A 87 81.892 -7.034 3.957 1.00 0.00 H new ATOM 0 HB2 TYR A 87 83.083 -7.104 1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 87 81.721 -7.936 1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 87 79.582 -6.788 0.681 1.00 0.00 H new ATOM 0 HD2 TYR A 87 82.930 -4.728 2.406 1.00 0.00 H new ATOM 0 HE1 TYR A 87 78.459 -4.617 0.261 1.00 0.00 H new ATOM 0 HE2 TYR A 87 81.811 -2.553 1.984 1.00 0.00 H new ATOM 0 HH TYR A 87 78.488 -2.388 0.675 1.00 0.00 H new ATOM 1268 N ARG A 88 79.352 -7.247 4.039 1.00 0.00 N ATOM 1269 CA ARG A 88 77.866 -7.458 4.116 1.00 0.00 C ATOM 1270 C ARG A 88 77.123 -6.121 4.004 1.00 0.00 C ATOM 1271 O ARG A 88 77.435 -5.163 4.685 1.00 0.00 O ATOM 1272 CB ARG A 88 77.512 -8.117 5.454 1.00 0.00 C ATOM 1273 CG ARG A 88 78.117 -9.523 5.507 1.00 0.00 C ATOM 1274 CD ARG A 88 77.657 -10.231 6.784 1.00 0.00 C ATOM 1275 NE ARG A 88 76.179 -10.413 6.741 1.00 0.00 N ATOM 1276 CZ ARG A 88 75.589 -11.186 7.612 1.00 0.00 C ATOM 1277 NH1 ARG A 88 76.293 -11.802 8.522 1.00 0.00 N ATOM 1278 NH2 ARG A 88 74.295 -11.342 7.572 1.00 0.00 N ATOM 0 H ARG A 88 79.716 -6.506 4.638 1.00 0.00 H new ATOM 0 HA ARG A 88 77.564 -8.101 3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 88 77.891 -7.515 6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 88 76.430 -8.171 5.570 1.00 0.00 H new ATOM 0 HG2 ARG A 88 77.811 -10.095 4.631 1.00 0.00 H new ATOM 0 HG3 ARG A 88 79.205 -9.463 5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 88 78.151 -11.198 6.876 1.00 0.00 H new ATOM 0 HD3 ARG A 88 77.938 -9.645 7.659 1.00 0.00 H new ATOM 0 HE ARG A 88 75.627 -9.933 6.030 1.00 0.00 H new ATOM 0 HH11 ARG A 88 77.305 -11.680 8.553 1.00 0.00 H new ATOM 0 HH12 ARG A 88 75.831 -12.406 9.202 1.00 0.00 H new ATOM 0 HH21 ARG A 88 73.745 -10.860 6.861 1.00 0.00 H new ATOM 0 HH22 ARG A 88 73.833 -11.946 8.252 1.00 0.00 H new ATOM 1292 N ALA A 89 76.129 -6.068 3.149 1.00 0.00 N ATOM 1293 CA ALA A 89 75.319 -4.817 2.967 1.00 0.00 C ATOM 1294 C ALA A 89 73.844 -5.127 3.252 1.00 0.00 C ATOM 1295 O ALA A 89 73.298 -6.088 2.744 1.00 0.00 O ATOM 1296 CB ALA A 89 75.463 -4.321 1.528 1.00 0.00 C ATOM 0 H ALA A 89 75.839 -6.849 2.560 1.00 0.00 H new ATOM 0 HA ALA A 89 75.674 -4.048 3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 89 74.875 -3.413 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 89 76.512 -4.108 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 89 75.105 -5.088 0.841 1.00 0.00 H new ATOM 1302 N LEU A 90 73.197 -4.323 4.063 1.00 0.00 N ATOM 1303 CA LEU A 90 71.750 -4.559 4.396 1.00 0.00 C ATOM 1304 C LEU A 90 70.895 -3.451 3.761 1.00 0.00 C ATOM 1305 O LEU A 90 71.197 -2.281 3.895 1.00 0.00 O ATOM 1306 CB LEU A 90 71.571 -4.516 5.922 1.00 0.00 C ATOM 1307 CG LEU A 90 72.099 -5.815 6.557 1.00 0.00 C ATOM 1308 CD1 LEU A 90 73.636 -5.888 6.458 1.00 0.00 C ATOM 1309 CD2 LEU A 90 71.675 -5.854 8.031 1.00 0.00 C ATOM 0 H LEU A 90 73.611 -3.506 4.513 1.00 0.00 H new ATOM 0 HA LEU A 90 71.439 -5.531 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.104 -3.659 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 90 70.517 -4.385 6.168 1.00 0.00 H new ATOM 0 HG LEU A 90 71.682 -6.668 6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 90 73.986 -6.814 6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 90 73.935 -5.863 5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 90 74.075 -5.038 6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 90 72.044 -6.771 8.492 1.00 0.00 H new ATOM 0 HD22 LEU A 90 72.092 -4.993 8.553 1.00 0.00 H new ATOM 0 HD23 LEU A 90 70.587 -5.827 8.098 1.00 0.00 H new ATOM 1321 N THR A 91 69.834 -3.811 3.067 1.00 0.00 N ATOM 1322 CA THR A 91 68.957 -2.777 2.411 1.00 0.00 C ATOM 1323 C THR A 91 67.499 -2.933 2.869 1.00 0.00 C ATOM 1324 O THR A 91 66.900 -3.982 2.738 1.00 0.00 O ATOM 1325 CB THR A 91 69.031 -2.949 0.890 1.00 0.00 C ATOM 1326 OG1 THR A 91 68.933 -4.329 0.566 1.00 0.00 O ATOM 1327 CG2 THR A 91 70.362 -2.394 0.381 1.00 0.00 C ATOM 0 H THR A 91 69.537 -4.777 2.926 1.00 0.00 H new ATOM 0 HA THR A 91 69.308 -1.785 2.696 1.00 0.00 H new ATOM 0 HB THR A 91 68.210 -2.408 0.419 1.00 0.00 H new ATOM 0 HG1 THR A 91 68.252 -4.750 1.131 1.00 0.00 H new ATOM 0 HG21 THR A 91 70.417 -2.515 -0.701 1.00 0.00 H new ATOM 0 HG22 THR A 91 70.435 -1.336 0.632 1.00 0.00 H new ATOM 0 HG23 THR A 91 71.185 -2.935 0.849 1.00 0.00 H new ATOM 1335 N GLU A 92 66.934 -1.877 3.402 1.00 0.00 N ATOM 1336 CA GLU A 92 65.510 -1.915 3.875 1.00 0.00 C ATOM 1337 C GLU A 92 64.768 -0.669 3.385 1.00 0.00 C ATOM 1338 O GLU A 92 65.332 0.396 3.294 1.00 0.00 O ATOM 1339 CB GLU A 92 65.481 -1.952 5.406 1.00 0.00 C ATOM 1340 CG GLU A 92 64.038 -2.128 5.883 1.00 0.00 C ATOM 1341 CD GLU A 92 64.020 -2.292 7.403 1.00 0.00 C ATOM 1342 OE1 GLU A 92 65.081 -2.216 8.000 1.00 0.00 O ATOM 1343 OE2 GLU A 92 62.943 -2.482 7.945 1.00 0.00 O ATOM 0 H GLU A 92 67.402 -0.980 3.532 1.00 0.00 H new ATOM 0 HA GLU A 92 65.024 -2.806 3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 92 66.099 -2.771 5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 92 65.900 -1.031 5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 92 63.440 -1.264 5.593 1.00 0.00 H new ATOM 0 HG3 GLU A 92 63.590 -3.000 5.407 1.00 0.00 H new ATOM 1350 N TRP A 93 63.500 -0.780 3.092 1.00 0.00 N ATOM 1351 CA TRP A 93 62.740 0.420 2.641 1.00 0.00 C ATOM 1352 C TRP A 93 62.596 1.378 3.823 1.00 0.00 C ATOM 1353 O TRP A 93 62.355 0.959 4.939 1.00 0.00 O ATOM 1354 CB TRP A 93 61.344 0.003 2.156 1.00 0.00 C ATOM 1355 CG TRP A 93 61.461 -0.721 0.854 1.00 0.00 C ATOM 1356 CD1 TRP A 93 61.200 -2.035 0.663 1.00 0.00 C ATOM 1357 CD2 TRP A 93 61.867 -0.192 -0.439 1.00 0.00 C ATOM 1358 NE1 TRP A 93 61.418 -2.344 -0.668 1.00 0.00 N ATOM 1359 CE2 TRP A 93 61.831 -1.240 -1.388 1.00 0.00 C ATOM 1360 CE3 TRP A 93 62.259 1.086 -0.874 1.00 0.00 C ATOM 1361 CZ2 TRP A 93 62.170 -1.026 -2.724 1.00 0.00 C ATOM 1362 CZ3 TRP A 93 62.602 1.305 -2.218 1.00 0.00 C ATOM 1363 CH2 TRP A 93 62.557 0.252 -3.141 1.00 0.00 C ATOM 0 H TRP A 93 62.961 -1.644 3.145 1.00 0.00 H new ATOM 0 HA TRP A 93 63.272 0.905 1.822 1.00 0.00 H new ATOM 0 HB2 TRP A 93 60.866 -0.637 2.898 1.00 0.00 H new ATOM 0 HB3 TRP A 93 60.711 0.883 2.039 1.00 0.00 H new ATOM 0 HD1 TRP A 93 60.875 -2.729 1.424 1.00 0.00 H new ATOM 0 HE1 TRP A 93 61.289 -3.273 -1.068 1.00 0.00 H new ATOM 0 HE3 TRP A 93 62.297 1.904 -0.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 62.134 -1.841 -3.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 62.902 2.291 -2.542 1.00 0.00 H new ATOM 0 HH2 TRP A 93 62.821 0.427 -4.174 1.00 0.00 H new ATOM 1374 N VAL A 94 62.736 2.662 3.588 1.00 0.00 N ATOM 1375 CA VAL A 94 62.602 3.659 4.700 1.00 0.00 C ATOM 1376 C VAL A 94 61.302 4.433 4.513 1.00 0.00 C ATOM 1377 O VAL A 94 61.099 5.108 3.512 1.00 0.00 O ATOM 1378 CB VAL A 94 63.776 4.643 4.674 1.00 0.00 C ATOM 1379 CG1 VAL A 94 63.676 5.596 5.871 1.00 0.00 C ATOM 1380 CG2 VAL A 94 65.089 3.868 4.757 1.00 0.00 C ATOM 0 H VAL A 94 62.938 3.063 2.672 1.00 0.00 H new ATOM 0 HA VAL A 94 62.599 3.133 5.655 1.00 0.00 H new ATOM 0 HB VAL A 94 63.745 5.217 3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 94 64.512 6.295 5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 94 62.739 6.150 5.818 1.00 0.00 H new ATOM 0 HG13 VAL A 94 63.706 5.022 6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 94 65.926 4.567 4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 94 65.115 3.295 5.684 1.00 0.00 H new ATOM 0 HG23 VAL A 94 65.165 3.189 3.908 1.00 0.00 H new ATOM 1390 N GLY A 95 60.434 4.337 5.484 1.00 0.00 N ATOM 1391 CA GLY A 95 59.126 5.046 5.427 1.00 0.00 C ATOM 1392 C GLY A 95 58.192 4.417 6.462 1.00 0.00 C ATOM 1393 O GLY A 95 58.600 3.587 7.250 1.00 0.00 O ATOM 0 H GLY A 95 60.581 3.786 6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 95 59.261 6.108 5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 95 58.695 4.967 4.429 1.00 0.00 H new ATOM 1397 N SER A 96 56.948 4.799 6.476 1.00 0.00 N ATOM 1398 CA SER A 96 56.006 4.209 7.472 1.00 0.00 C ATOM 1399 C SER A 96 55.726 2.745 7.122 1.00 0.00 C ATOM 1400 O SER A 96 55.702 2.363 5.969 1.00 0.00 O ATOM 1401 CB SER A 96 54.697 4.995 7.478 1.00 0.00 C ATOM 1402 OG SER A 96 54.909 6.240 8.126 1.00 0.00 O ATOM 0 H SER A 96 56.541 5.490 5.846 1.00 0.00 H new ATOM 0 HA SER A 96 56.460 4.260 8.462 1.00 0.00 H new ATOM 0 HB2 SER A 96 54.350 5.156 6.457 1.00 0.00 H new ATOM 0 HB3 SER A 96 53.921 4.430 7.993 1.00 0.00 H new ATOM 0 HG SER A 96 54.073 6.752 8.133 1.00 0.00 H new ATOM 1408 N ARG A 97 55.513 1.919 8.115 1.00 0.00 N ATOM 1409 CA ARG A 97 55.234 0.477 7.851 1.00 0.00 C ATOM 1410 C ARG A 97 53.724 0.250 7.753 1.00 0.00 C ATOM 1411 O ARG A 97 53.271 -0.811 7.373 1.00 0.00 O ATOM 1412 CB ARG A 97 55.783 -0.363 9.003 1.00 0.00 C ATOM 1413 CG ARG A 97 57.299 -0.190 9.092 1.00 0.00 C ATOM 1414 CD ARG A 97 57.835 -1.036 10.248 1.00 0.00 C ATOM 1415 NE ARG A 97 57.536 -2.472 9.984 1.00 0.00 N ATOM 1416 CZ ARG A 97 57.982 -3.396 10.794 1.00 0.00 C ATOM 1417 NH1 ARG A 97 58.662 -3.061 11.854 1.00 0.00 N ATOM 1418 NH2 ARG A 97 57.741 -4.654 10.545 1.00 0.00 N ATOM 0 H ARG A 97 55.521 2.183 9.100 1.00 0.00 H new ATOM 0 HA ARG A 97 55.710 0.187 6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 97 55.317 -0.060 9.941 1.00 0.00 H new ATOM 0 HB3 ARG A 97 55.536 -1.413 8.849 1.00 0.00 H new ATOM 0 HG2 ARG A 97 57.767 -0.494 8.156 1.00 0.00 H new ATOM 0 HG3 ARG A 97 57.549 0.860 9.247 1.00 0.00 H new ATOM 0 HD2 ARG A 97 58.910 -0.889 10.354 1.00 0.00 H new ATOM 0 HD3 ARG A 97 57.377 -0.723 11.186 1.00 0.00 H new ATOM 0 HE ARG A 97 56.982 -2.735 9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 97 58.846 -2.078 12.052 1.00 0.00 H new ATOM 0 HH12 ARG A 97 59.010 -3.782 12.486 1.00 0.00 H new ATOM 0 HH21 ARG A 97 57.205 -4.917 9.718 1.00 0.00 H new ATOM 0 HH22 ARG A 97 58.089 -5.375 11.177 1.00 0.00 H new ATOM 1432 N SER A 98 52.943 1.233 8.099 1.00 0.00 N ATOM 1433 CA SER A 98 51.464 1.066 8.033 1.00 0.00 C ATOM 1434 C SER A 98 51.048 -0.138 8.885 1.00 0.00 C ATOM 1435 O SER A 98 51.395 -0.157 10.055 1.00 0.00 O ATOM 1436 CB SER A 98 51.033 0.842 6.581 1.00 0.00 C ATOM 1437 OG SER A 98 49.650 1.145 6.456 1.00 0.00 O ATOM 0 H SER A 98 53.263 2.145 8.425 1.00 0.00 H new ATOM 0 HA SER A 98 50.981 1.966 8.415 1.00 0.00 H new ATOM 0 HB2 SER A 98 51.619 1.474 5.913 1.00 0.00 H new ATOM 0 HB3 SER A 98 51.220 -0.191 6.288 1.00 0.00 H new ATOM 0 HG SER A 98 49.367 1.005 5.528 1.00 0.00 H new TER 1443 SER A 98