USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 749 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 41 GLN :FLIP amide:sc= -1.23 F(o=-6.9!,f=-2.4) USER MOD Set 1.2: A 46 ASN : amide:sc= -1.17 K(o=-2.4,f=-3.5) 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -3.01! C(o=-3!,f=-4.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= -0.0227 (180deg=-0.238) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 174:sc= 0.0681 USER MOD Single : A 65 THR OG1 : rot 35:sc= 0.293 USER MOD Single : A 69 THR OG1 : rot 84:sc= 0.0543 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 120:sc= 0.39 USER MOD Single : A 77 LYS NZ :NH3+ -150:sc= -0.687 (180deg=-1.26) USER MOD Single : A 78 LYS NZ :NH3+ -166:sc= -0.0687 (180deg=-0.401) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 63:sc= 1.06 USER MOD Single : A 91 SER OG : rot -110:sc= -3.61! USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.00031) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 137.007 6.698 11.421 1.00 0.00 N ATOM 2 CA GLY A 1 136.169 6.784 12.650 1.00 0.00 C ATOM 3 C GLY A 1 135.283 8.014 12.663 1.00 0.00 C ATOM 4 O GLY A 1 134.315 8.099 11.908 1.00 0.00 O ATOM 0 H1 GLY A 1 137.594 5.840 11.460 1.00 0.00 H new ATOM 0 H2 GLY A 1 136.392 6.658 10.583 1.00 0.00 H new ATOM 0 H3 GLY A 1 137.621 7.535 11.360 1.00 0.00 H new ATOM 0 HA2 GLY A 1 135.548 5.892 12.725 1.00 0.00 H new ATOM 0 HA3 GLY A 1 136.816 6.797 13.527 1.00 0.00 H new ATOM 10 N SER A 2 135.616 8.971 13.523 1.00 0.00 N ATOM 11 CA SER A 2 134.844 10.204 13.632 1.00 0.00 C ATOM 12 C SER A 2 135.755 11.425 13.568 1.00 0.00 C ATOM 13 O SER A 2 135.655 12.239 12.650 1.00 0.00 O ATOM 14 CB SER A 2 134.046 10.217 14.938 1.00 0.00 C ATOM 15 OG SER A 2 132.921 9.360 14.856 1.00 0.00 O ATOM 0 H SER A 2 136.415 8.917 14.155 1.00 0.00 H new ATOM 0 HA SER A 2 134.152 10.245 12.790 1.00 0.00 H new ATOM 0 HB2 SER A 2 134.687 9.904 15.762 1.00 0.00 H new ATOM 0 HB3 SER A 2 133.718 11.233 15.157 1.00 0.00 H new ATOM 0 HG SER A 2 132.429 9.384 15.703 1.00 0.00 H new ATOM 21 N SER A 3 136.645 11.545 14.548 1.00 0.00 N ATOM 22 CA SER A 3 137.575 12.668 14.603 1.00 0.00 C ATOM 23 C SER A 3 138.909 12.299 13.962 1.00 0.00 C ATOM 24 O SER A 3 139.477 11.244 14.248 1.00 0.00 O ATOM 25 CB SER A 3 137.794 13.104 16.051 1.00 0.00 C ATOM 26 OG SER A 3 138.507 14.328 16.114 1.00 0.00 O ATOM 0 H SER A 3 136.742 10.879 15.314 1.00 0.00 H new ATOM 0 HA SER A 3 137.141 13.497 14.044 1.00 0.00 H new ATOM 0 HB2 SER A 3 136.831 13.214 16.550 1.00 0.00 H new ATOM 0 HB3 SER A 3 138.344 12.331 16.587 1.00 0.00 H new ATOM 0 HG SER A 3 138.632 14.586 17.051 1.00 0.00 H new ATOM 32 N GLY A 4 139.405 13.175 13.095 1.00 0.00 N ATOM 33 CA GLY A 4 140.670 12.923 12.429 1.00 0.00 C ATOM 34 C GLY A 4 141.383 14.202 12.034 1.00 0.00 C ATOM 35 O GLY A 4 141.365 15.184 12.776 1.00 0.00 O ATOM 0 H GLY A 4 138.954 14.054 12.842 1.00 0.00 H new ATOM 0 HA2 GLY A 4 141.314 12.340 13.088 1.00 0.00 H new ATOM 0 HA3 GLY A 4 140.494 12.319 11.539 1.00 0.00 H new ATOM 39 N SER A 5 142.011 14.190 10.862 1.00 0.00 N ATOM 40 CA SER A 5 142.733 15.357 10.370 1.00 0.00 C ATOM 41 C SER A 5 143.282 15.107 8.970 1.00 0.00 C ATOM 42 O SER A 5 143.247 15.990 8.111 1.00 0.00 O ATOM 43 CB SER A 5 143.875 15.715 11.323 1.00 0.00 C ATOM 44 OG SER A 5 144.821 14.662 11.403 1.00 0.00 O ATOM 0 H SER A 5 142.034 13.385 10.236 1.00 0.00 H new ATOM 0 HA SER A 5 142.034 16.192 10.322 1.00 0.00 H new ATOM 0 HB2 SER A 5 144.367 16.625 10.980 1.00 0.00 H new ATOM 0 HB3 SER A 5 143.474 15.924 12.315 1.00 0.00 H new ATOM 0 HG SER A 5 145.542 14.916 12.017 1.00 0.00 H new ATOM 50 N SER A 6 143.790 13.900 8.745 1.00 0.00 N ATOM 51 CA SER A 6 144.347 13.534 7.449 1.00 0.00 C ATOM 52 C SER A 6 143.297 13.657 6.350 1.00 0.00 C ATOM 53 O SER A 6 143.595 14.099 5.240 1.00 0.00 O ATOM 54 CB SER A 6 144.893 12.105 7.490 1.00 0.00 C ATOM 55 OG SER A 6 146.049 11.976 6.680 1.00 0.00 O ATOM 0 H SER A 6 143.827 13.158 9.444 1.00 0.00 H new ATOM 0 HA SER A 6 145.163 14.222 7.226 1.00 0.00 H new ATOM 0 HB2 SER A 6 145.134 11.834 8.518 1.00 0.00 H new ATOM 0 HB3 SER A 6 144.126 11.410 7.148 1.00 0.00 H new ATOM 0 HG SER A 6 146.379 11.054 6.725 1.00 0.00 H new ATOM 61 N GLY A 7 142.068 13.266 6.667 1.00 0.00 N ATOM 62 CA GLY A 7 140.992 13.341 5.695 1.00 0.00 C ATOM 63 C GLY A 7 139.657 12.913 6.273 1.00 0.00 C ATOM 64 O GLY A 7 139.594 12.396 7.389 1.00 0.00 O ATOM 0 H GLY A 7 141.797 12.899 7.579 1.00 0.00 H new ATOM 0 HA2 GLY A 7 140.913 14.363 5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 7 141.234 12.709 4.840 1.00 0.00 H new ATOM 68 N LEU A 8 138.589 13.127 5.512 1.00 0.00 N ATOM 69 CA LEU A 8 137.249 12.759 5.955 1.00 0.00 C ATOM 70 C LEU A 8 136.760 11.511 5.229 1.00 0.00 C ATOM 71 O LEU A 8 137.474 10.939 4.405 1.00 0.00 O ATOM 72 CB LEU A 8 136.275 13.916 5.719 1.00 0.00 C ATOM 73 CG LEU A 8 136.473 15.126 6.634 1.00 0.00 C ATOM 74 CD1 LEU A 8 136.089 16.408 5.913 1.00 0.00 C ATOM 75 CD2 LEU A 8 135.660 14.964 7.911 1.00 0.00 C ATOM 0 H LEU A 8 138.625 13.553 4.586 1.00 0.00 H new ATOM 0 HA LEU A 8 137.293 12.543 7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 8 136.368 14.244 4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 8 135.258 13.546 5.846 1.00 0.00 H new ATOM 0 HG LEU A 8 137.527 15.188 6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 8 136.236 17.258 6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 8 136.713 16.528 5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 8 135.042 16.358 5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 8 135.812 15.833 8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 8 134.603 14.878 7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 8 135.983 14.065 8.436 1.00 0.00 H new ATOM 87 N ALA A 9 135.537 11.093 5.538 1.00 0.00 N ATOM 88 CA ALA A 9 134.950 9.912 4.916 1.00 0.00 C ATOM 89 C ALA A 9 133.745 10.285 4.060 1.00 0.00 C ATOM 90 O ALA A 9 132.629 10.414 4.565 1.00 0.00 O ATOM 91 CB ALA A 9 134.554 8.899 5.978 1.00 0.00 C ATOM 0 H ALA A 9 134.932 11.556 6.217 1.00 0.00 H new ATOM 0 HA ALA A 9 135.700 9.463 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 9 134.117 8.022 5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 9 135.437 8.601 6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 9 133.824 9.346 6.653 1.00 0.00 H new ATOM 97 N MET A 10 133.977 10.453 2.763 1.00 0.00 N ATOM 98 CA MET A 10 132.909 10.809 1.836 1.00 0.00 C ATOM 99 C MET A 10 133.235 10.328 0.423 1.00 0.00 C ATOM 100 O MET A 10 134.398 10.306 0.019 1.00 0.00 O ATOM 101 CB MET A 10 132.689 12.324 1.837 1.00 0.00 C ATOM 102 CG MET A 10 131.224 12.725 1.906 1.00 0.00 C ATOM 103 SD MET A 10 130.954 14.197 2.912 1.00 0.00 S ATOM 104 CE MET A 10 129.806 15.105 1.880 1.00 0.00 C ATOM 0 H MET A 10 134.894 10.349 2.330 1.00 0.00 H new ATOM 0 HA MET A 10 131.994 10.317 2.165 1.00 0.00 H new ATOM 0 HB2 MET A 10 133.217 12.759 2.686 1.00 0.00 H new ATOM 0 HB3 MET A 10 133.131 12.748 0.935 1.00 0.00 H new ATOM 0 HG2 MET A 10 130.853 12.906 0.897 1.00 0.00 H new ATOM 0 HG3 MET A 10 130.644 11.898 2.316 1.00 0.00 H new ATOM 0 HE1 MET A 10 129.542 16.044 2.368 1.00 0.00 H new ATOM 0 HE2 MET A 10 130.270 15.315 0.916 1.00 0.00 H new ATOM 0 HE3 MET A 10 128.905 14.510 1.727 1.00 0.00 H new ATOM 114 N PRO A 11 132.208 9.938 -0.352 1.00 0.00 N ATOM 115 CA PRO A 11 132.396 9.459 -1.725 1.00 0.00 C ATOM 116 C PRO A 11 133.132 10.473 -2.599 1.00 0.00 C ATOM 117 O PRO A 11 134.059 10.114 -3.325 1.00 0.00 O ATOM 118 CB PRO A 11 130.970 9.244 -2.241 1.00 0.00 C ATOM 119 CG PRO A 11 130.125 9.113 -1.020 1.00 0.00 C ATOM 120 CD PRO A 11 130.790 9.935 0.049 1.00 0.00 C ATOM 0 HA PRO A 11 133.008 8.558 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 11 130.644 10.082 -2.857 1.00 0.00 H new ATOM 0 HB3 PRO A 11 130.907 8.350 -2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 11 129.112 9.469 -1.209 1.00 0.00 H new ATOM 0 HG3 PRO A 11 130.045 8.070 -0.714 1.00 0.00 H new ATOM 0 HD2 PRO A 11 130.382 10.945 0.090 1.00 0.00 H new ATOM 0 HD3 PRO A 11 130.653 9.495 1.037 1.00 0.00 H new ATOM 128 N PRO A 12 132.736 11.759 -2.541 1.00 0.00 N ATOM 129 CA PRO A 12 133.378 12.813 -3.334 1.00 0.00 C ATOM 130 C PRO A 12 134.869 12.923 -3.039 1.00 0.00 C ATOM 131 O PRO A 12 135.631 13.466 -3.838 1.00 0.00 O ATOM 132 CB PRO A 12 132.653 14.092 -2.900 1.00 0.00 C ATOM 133 CG PRO A 12 131.361 13.627 -2.322 1.00 0.00 C ATOM 134 CD PRO A 12 131.646 12.290 -1.702 1.00 0.00 C ATOM 0 HA PRO A 12 133.307 12.615 -4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 12 133.237 14.646 -2.165 1.00 0.00 H new ATOM 0 HB3 PRO A 12 132.489 14.759 -3.746 1.00 0.00 H new ATOM 0 HG2 PRO A 12 130.990 14.332 -1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 12 130.595 13.545 -3.093 1.00 0.00 H new ATOM 0 HD2 PRO A 12 131.949 12.385 -0.659 1.00 0.00 H new ATOM 0 HD3 PRO A 12 130.770 11.642 -1.721 1.00 0.00 H new ATOM 142 N GLY A 13 135.278 12.404 -1.885 1.00 0.00 N ATOM 143 CA GLY A 13 136.677 12.454 -1.503 1.00 0.00 C ATOM 144 C GLY A 13 137.536 11.512 -2.324 1.00 0.00 C ATOM 145 O GLY A 13 138.032 11.882 -3.388 1.00 0.00 O ATOM 0 H GLY A 13 134.665 11.950 -1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 13 137.046 13.473 -1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 13 136.772 12.200 -0.447 1.00 0.00 H new ATOM 149 N ASN A 14 137.714 10.292 -1.828 1.00 0.00 N ATOM 150 CA ASN A 14 138.520 9.294 -2.521 1.00 0.00 C ATOM 151 C ASN A 14 137.658 8.456 -3.459 1.00 0.00 C ATOM 152 O ASN A 14 137.807 8.520 -4.680 1.00 0.00 O ATOM 153 CB ASN A 14 139.226 8.385 -1.513 1.00 0.00 C ATOM 154 CG ASN A 14 139.889 9.167 -0.395 1.00 0.00 C ATOM 155 OD1 ASN A 14 139.791 8.801 0.776 1.00 0.00 O ATOM 156 ND2 ASN A 14 140.569 10.250 -0.752 1.00 0.00 N ATOM 0 H ASN A 14 137.311 9.971 -0.948 1.00 0.00 H new ATOM 0 HA ASN A 14 139.270 9.818 -3.114 1.00 0.00 H new ATOM 0 HB2 ASN A 14 138.503 7.689 -1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 14 139.977 7.788 -2.030 1.00 0.00 H new ATOM 0 HD21 ASN A 14 141.036 10.815 -0.043 1.00 0.00 H new ATOM 0 HD22 ASN A 14 140.624 10.517 -1.735 1.00 0.00 H new ATOM 163 N SER A 15 136.756 7.668 -2.882 1.00 0.00 N ATOM 164 CA SER A 15 135.870 6.817 -3.666 1.00 0.00 C ATOM 165 C SER A 15 134.814 6.168 -2.777 1.00 0.00 C ATOM 166 O SER A 15 133.642 6.086 -3.146 1.00 0.00 O ATOM 167 CB SER A 15 136.675 5.738 -4.392 1.00 0.00 C ATOM 168 OG SER A 15 136.145 5.486 -5.682 1.00 0.00 O ATOM 0 H SER A 15 136.620 7.602 -1.873 1.00 0.00 H new ATOM 0 HA SER A 15 135.366 7.441 -4.403 1.00 0.00 H new ATOM 0 HB2 SER A 15 137.715 6.052 -4.478 1.00 0.00 H new ATOM 0 HB3 SER A 15 136.667 4.819 -3.806 1.00 0.00 H new ATOM 0 HG SER A 15 136.679 4.794 -6.125 1.00 0.00 H new ATOM 174 N HIS A 16 135.237 5.708 -1.604 1.00 0.00 N ATOM 175 CA HIS A 16 134.328 5.066 -0.661 1.00 0.00 C ATOM 176 C HIS A 16 134.819 5.241 0.773 1.00 0.00 C ATOM 177 O HIS A 16 134.579 4.390 1.629 1.00 0.00 O ATOM 178 CB HIS A 16 134.188 3.578 -0.988 1.00 0.00 C ATOM 179 CG HIS A 16 133.030 3.270 -1.886 1.00 0.00 C ATOM 180 ND1 HIS A 16 131.716 3.386 -1.485 1.00 0.00 N ATOM 181 CD2 HIS A 16 132.994 2.848 -3.173 1.00 0.00 C ATOM 182 CE1 HIS A 16 130.921 3.048 -2.485 1.00 0.00 C ATOM 183 NE2 HIS A 16 131.672 2.718 -3.520 1.00 0.00 N ATOM 0 H HIS A 16 136.204 5.768 -1.284 1.00 0.00 H new ATOM 0 HA HIS A 16 133.352 5.544 -0.752 1.00 0.00 H new ATOM 0 HB2 HIS A 16 135.107 3.230 -1.461 1.00 0.00 H new ATOM 0 HB3 HIS A 16 134.076 3.019 -0.059 1.00 0.00 H new ATOM 0 HD2 HIS A 16 133.846 2.651 -3.807 1.00 0.00 H new ATOM 0 HE1 HIS A 16 129.841 3.043 -2.460 1.00 0.00 H new ATOM 0 HE2 HIS A 16 131.326 2.415 -4.430 1.00 0.00 H new ATOM 192 N GLY A 17 135.509 6.349 1.026 1.00 0.00 N ATOM 193 CA GLY A 17 136.023 6.614 2.357 1.00 0.00 C ATOM 194 C GLY A 17 137.291 5.838 2.655 1.00 0.00 C ATOM 195 O GLY A 17 137.373 5.129 3.658 1.00 0.00 O ATOM 0 H GLY A 17 135.721 7.067 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 17 136.221 7.681 2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 17 135.262 6.358 3.094 1.00 0.00 H new ATOM 199 N LEU A 18 138.283 5.971 1.780 1.00 0.00 N ATOM 200 CA LEU A 18 139.554 5.277 1.953 1.00 0.00 C ATOM 201 C LEU A 18 140.649 6.246 2.386 1.00 0.00 C ATOM 202 O LEU A 18 141.244 6.935 1.559 1.00 0.00 O ATOM 203 CB LEU A 18 139.959 4.580 0.654 1.00 0.00 C ATOM 204 CG LEU A 18 138.878 3.699 0.027 1.00 0.00 C ATOM 205 CD1 LEU A 18 139.227 3.369 -1.416 1.00 0.00 C ATOM 206 CD2 LEU A 18 138.695 2.424 0.837 1.00 0.00 C ATOM 0 H LEU A 18 138.231 6.553 0.944 1.00 0.00 H new ATOM 0 HA LEU A 18 139.427 4.528 2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 18 140.253 5.339 -0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 18 140.839 3.966 0.848 1.00 0.00 H new ATOM 0 HG LEU A 18 137.938 4.250 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 18 138.446 2.741 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 18 139.308 4.292 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 18 140.178 2.837 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 18 137.922 1.808 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 18 139.634 1.870 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 18 138.398 2.679 1.854 1.00 0.00 H new ATOM 218 N GLU A 19 140.909 6.294 3.689 1.00 0.00 N ATOM 219 CA GLU A 19 141.933 7.179 4.232 1.00 0.00 C ATOM 220 C GLU A 19 142.893 6.410 5.134 1.00 0.00 C ATOM 221 O GLU A 19 142.733 5.209 5.347 1.00 0.00 O ATOM 222 CB GLU A 19 141.286 8.323 5.014 1.00 0.00 C ATOM 223 CG GLU A 19 140.180 7.869 5.954 1.00 0.00 C ATOM 224 CD GLU A 19 138.807 7.933 5.313 1.00 0.00 C ATOM 225 OE1 GLU A 19 138.636 8.715 4.354 1.00 0.00 O ATOM 226 OE2 GLU A 19 137.904 7.200 5.770 1.00 0.00 O ATOM 0 H GLU A 19 140.425 5.731 4.388 1.00 0.00 H new ATOM 0 HA GLU A 19 142.499 7.594 3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 19 142.054 8.837 5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.878 9.048 4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 19 140.379 6.847 6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 19 140.189 8.493 6.848 1.00 0.00 H new ATOM 233 N VAL A 20 143.892 7.112 5.660 1.00 0.00 N ATOM 234 CA VAL A 20 144.879 6.496 6.540 1.00 0.00 C ATOM 235 C VAL A 20 144.212 5.870 7.760 1.00 0.00 C ATOM 236 O VAL A 20 143.239 6.406 8.292 1.00 0.00 O ATOM 237 CB VAL A 20 145.928 7.522 7.010 1.00 0.00 C ATOM 238 CG1 VAL A 20 147.026 6.838 7.811 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.514 8.269 5.820 1.00 0.00 C ATOM 0 H VAL A 20 144.039 8.107 5.492 1.00 0.00 H new ATOM 0 HA VAL A 20 145.377 5.717 5.963 1.00 0.00 H new ATOM 0 HB VAL A 20 145.435 8.246 7.659 1.00 0.00 H new ATOM 0 HG11 VAL A 20 147.757 7.580 8.134 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.591 6.353 8.685 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.518 6.090 7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 20 147.253 8.989 6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.991 7.559 5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.718 8.794 5.292 1.00 0.00 H new ATOM 249 N GLY A 21 144.742 4.733 8.199 1.00 0.00 N ATOM 250 CA GLY A 21 144.184 4.052 9.354 1.00 0.00 C ATOM 251 C GLY A 21 143.152 3.010 8.969 1.00 0.00 C ATOM 252 O GLY A 21 143.170 1.890 9.482 1.00 0.00 O ATOM 0 H GLY A 21 145.547 4.271 7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 21 144.988 3.574 9.913 1.00 0.00 H new ATOM 0 HA3 GLY A 21 143.726 4.785 10.018 1.00 0.00 H new ATOM 256 N SER A 22 142.249 3.378 8.067 1.00 0.00 N ATOM 257 CA SER A 22 141.204 2.467 7.615 1.00 0.00 C ATOM 258 C SER A 22 141.786 1.358 6.747 1.00 0.00 C ATOM 259 O SER A 22 142.822 1.538 6.104 1.00 0.00 O ATOM 260 CB SER A 22 140.134 3.232 6.834 1.00 0.00 C ATOM 261 OG SER A 22 139.423 4.122 7.678 1.00 0.00 O ATOM 0 H SER A 22 142.220 4.301 7.634 1.00 0.00 H new ATOM 0 HA SER A 22 140.748 2.013 8.495 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.601 3.791 6.023 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.440 2.527 6.377 1.00 0.00 H new ATOM 0 HG SER A 22 138.746 4.600 7.154 1.00 0.00 H new ATOM 267 N LEU A 23 141.116 0.211 6.730 1.00 0.00 N ATOM 268 CA LEU A 23 141.567 -0.929 5.940 1.00 0.00 C ATOM 269 C LEU A 23 141.124 -0.794 4.487 1.00 0.00 C ATOM 270 O LEU A 23 140.077 -0.212 4.198 1.00 0.00 O ATOM 271 CB LEU A 23 141.027 -2.233 6.531 1.00 0.00 C ATOM 272 CG LEU A 23 141.478 -2.531 7.961 1.00 0.00 C ATOM 273 CD1 LEU A 23 140.431 -3.358 8.690 1.00 0.00 C ATOM 274 CD2 LEU A 23 142.820 -3.250 7.957 1.00 0.00 C ATOM 0 H LEU A 23 140.257 0.046 7.255 1.00 0.00 H new ATOM 0 HA LEU A 23 142.656 -0.950 5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 23 139.938 -2.200 6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.334 -3.059 5.890 1.00 0.00 H new ATOM 0 HG LEU A 23 141.596 -1.585 8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 23 140.770 -3.560 9.706 1.00 0.00 H new ATOM 0 HD12 LEU A 23 139.491 -2.807 8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 23 140.281 -4.300 8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 23 143.126 -3.454 8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 23 142.728 -4.189 7.412 1.00 0.00 H new ATOM 0 HD23 LEU A 23 143.568 -2.622 7.473 1.00 0.00 H new ATOM 286 N ALA A 24 141.926 -1.332 3.576 1.00 0.00 N ATOM 287 CA ALA A 24 141.616 -1.272 2.153 1.00 0.00 C ATOM 288 C ALA A 24 142.176 -2.483 1.414 1.00 0.00 C ATOM 289 O ALA A 24 143.212 -3.029 1.794 1.00 0.00 O ATOM 290 CB ALA A 24 142.160 0.014 1.549 1.00 0.00 C ATOM 0 H ALA A 24 142.797 -1.815 3.798 1.00 0.00 H new ATOM 0 HA ALA A 24 140.532 -1.284 2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 24 141.922 0.046 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.707 0.871 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 24 143.242 0.048 1.679 1.00 0.00 H new ATOM 296 N GLU A 25 141.485 -2.897 0.357 1.00 0.00 N ATOM 297 CA GLU A 25 141.914 -4.044 -0.436 1.00 0.00 C ATOM 298 C GLU A 25 142.278 -3.617 -1.855 1.00 0.00 C ATOM 299 O GLU A 25 141.740 -2.641 -2.377 1.00 0.00 O ATOM 300 CB GLU A 25 140.812 -5.104 -0.475 1.00 0.00 C ATOM 301 CG GLU A 25 141.271 -6.438 -1.041 1.00 0.00 C ATOM 302 CD GLU A 25 140.118 -7.287 -1.539 1.00 0.00 C ATOM 303 OE1 GLU A 25 139.154 -6.715 -2.089 1.00 0.00 O ATOM 304 OE2 GLU A 25 140.180 -8.524 -1.381 1.00 0.00 O ATOM 0 H GLU A 25 140.626 -2.456 0.030 1.00 0.00 H new ATOM 0 HA GLU A 25 142.800 -4.470 0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.432 -5.259 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 25 139.981 -4.731 -1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 25 141.967 -6.261 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 25 141.816 -6.986 -0.273 1.00 0.00 H new ATOM 311 N VAL A 26 143.193 -4.356 -2.473 1.00 0.00 N ATOM 312 CA VAL A 26 143.628 -4.055 -3.833 1.00 0.00 C ATOM 313 C VAL A 26 143.295 -5.201 -4.783 1.00 0.00 C ATOM 314 O VAL A 26 143.563 -6.365 -4.486 1.00 0.00 O ATOM 315 CB VAL A 26 145.142 -3.779 -3.889 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.542 -3.276 -5.268 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.544 -2.784 -2.812 1.00 0.00 C ATOM 0 H VAL A 26 143.648 -5.167 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 26 143.091 -3.160 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 26 145.671 -4.714 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.615 -3.086 -5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 26 145.292 -4.028 -6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 26 145.006 -2.353 -5.488 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.617 -2.602 -2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 26 145.008 -1.847 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.295 -3.189 -1.831 1.00 0.00 H new ATOM 327 N LYS A 27 142.711 -4.862 -5.928 1.00 0.00 N ATOM 328 CA LYS A 27 142.343 -5.861 -6.923 1.00 0.00 C ATOM 329 C LYS A 27 143.544 -6.240 -7.783 1.00 0.00 C ATOM 330 O LYS A 27 143.826 -5.593 -8.793 1.00 0.00 O ATOM 331 CB LYS A 27 141.211 -5.337 -7.809 1.00 0.00 C ATOM 332 CG LYS A 27 139.824 -5.630 -7.261 1.00 0.00 C ATOM 333 CD LYS A 27 138.839 -4.529 -7.622 1.00 0.00 C ATOM 334 CE LYS A 27 137.412 -5.050 -7.659 1.00 0.00 C ATOM 335 NZ LYS A 27 137.180 -5.955 -8.818 1.00 0.00 N ATOM 0 H LYS A 27 142.483 -3.903 -6.189 1.00 0.00 H new ATOM 0 HA LYS A 27 142.000 -6.752 -6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 27 141.325 -4.260 -7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 27 141.302 -5.780 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 27 139.469 -6.582 -7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 27 139.874 -5.734 -6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 27 138.914 -3.720 -6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 27 139.100 -4.110 -8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 27 137.196 -5.584 -6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 27 136.720 -4.209 -7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 136.160 -6.018 -9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 137.668 -5.578 -9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 137.550 -6.902 -8.599 1.00 0.00 H new ATOM 349 N GLU A 28 144.248 -7.292 -7.378 1.00 0.00 N ATOM 350 CA GLU A 28 145.419 -7.756 -8.113 1.00 0.00 C ATOM 351 C GLU A 28 145.464 -9.280 -8.158 1.00 0.00 C ATOM 352 O GLU A 28 144.576 -9.953 -7.632 1.00 0.00 O ATOM 353 CB GLU A 28 146.698 -7.213 -7.470 1.00 0.00 C ATOM 354 CG GLU A 28 147.678 -6.624 -8.470 1.00 0.00 C ATOM 355 CD GLU A 28 147.048 -5.559 -9.346 1.00 0.00 C ATOM 356 OE1 GLU A 28 146.480 -5.916 -10.400 1.00 0.00 O ATOM 357 OE2 GLU A 28 147.122 -4.368 -8.979 1.00 0.00 O ATOM 0 H GLU A 28 144.028 -7.839 -6.546 1.00 0.00 H new ATOM 0 HA GLU A 28 145.348 -7.383 -9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 28 146.432 -6.448 -6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 28 147.189 -8.017 -6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 28 148.524 -6.194 -7.934 1.00 0.00 H new ATOM 0 HG3 GLU A 28 148.072 -7.421 -9.100 1.00 0.00 H new ATOM 364 N ASN A 29 146.504 -9.819 -8.786 1.00 0.00 N ATOM 365 CA ASN A 29 146.664 -11.264 -8.897 1.00 0.00 C ATOM 366 C ASN A 29 146.770 -11.906 -7.515 1.00 0.00 C ATOM 367 O ASN A 29 145.957 -12.756 -7.154 1.00 0.00 O ATOM 368 CB ASN A 29 147.905 -11.598 -9.727 1.00 0.00 C ATOM 369 CG ASN A 29 147.568 -11.905 -11.173 1.00 0.00 C ATOM 370 OD1 ASN A 29 147.707 -13.040 -11.628 1.00 0.00 O ATOM 371 ND2 ASN A 29 147.121 -10.890 -11.905 1.00 0.00 N ATOM 0 H ASN A 29 147.248 -9.277 -9.225 1.00 0.00 H new ATOM 0 HA ASN A 29 145.783 -11.667 -9.398 1.00 0.00 H new ATOM 0 HB2 ASN A 29 148.601 -10.760 -9.689 1.00 0.00 H new ATOM 0 HB3 ASN A 29 148.414 -12.455 -9.286 1.00 0.00 H new ATOM 0 HD21 ASN A 29 146.878 -11.036 -12.885 1.00 0.00 H new ATOM 0 HD22 ASN A 29 147.021 -9.965 -11.487 1.00 0.00 H new ATOM 378 N PRO A 30 147.778 -11.503 -6.723 1.00 0.00 N ATOM 379 CA PRO A 30 147.987 -12.042 -5.377 1.00 0.00 C ATOM 380 C PRO A 30 147.010 -11.453 -4.360 1.00 0.00 C ATOM 381 O PRO A 30 147.110 -10.279 -4.003 1.00 0.00 O ATOM 382 CB PRO A 30 149.417 -11.613 -5.053 1.00 0.00 C ATOM 383 CG PRO A 30 149.612 -10.350 -5.820 1.00 0.00 C ATOM 384 CD PRO A 30 148.794 -10.492 -7.077 1.00 0.00 C ATOM 0 HA PRO A 30 147.826 -13.119 -5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 30 149.550 -11.452 -3.983 1.00 0.00 H new ATOM 0 HB3 PRO A 30 150.137 -12.374 -5.353 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.286 -9.487 -5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 30 150.665 -10.196 -6.056 1.00 0.00 H new ATOM 0 HD2 PRO A 30 148.334 -9.546 -7.364 1.00 0.00 H new ATOM 0 HD3 PRO A 30 149.406 -10.817 -7.918 1.00 0.00 H new ATOM 392 N PRO A 31 146.049 -12.260 -3.875 1.00 0.00 N ATOM 393 CA PRO A 31 145.058 -11.803 -2.895 1.00 0.00 C ATOM 394 C PRO A 31 145.678 -11.530 -1.530 1.00 0.00 C ATOM 395 O PRO A 31 145.993 -12.457 -0.783 1.00 0.00 O ATOM 396 CB PRO A 31 144.073 -12.971 -2.811 1.00 0.00 C ATOM 397 CG PRO A 31 144.865 -14.165 -3.217 1.00 0.00 C ATOM 398 CD PRO A 31 145.851 -13.676 -4.241 1.00 0.00 C ATOM 0 HA PRO A 31 144.597 -10.861 -3.192 1.00 0.00 H new ATOM 0 HB2 PRO A 31 143.677 -13.083 -1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 31 143.220 -12.818 -3.473 1.00 0.00 H new ATOM 0 HG2 PRO A 31 145.377 -14.604 -2.361 1.00 0.00 H new ATOM 0 HG3 PRO A 31 144.220 -14.938 -3.634 1.00 0.00 H new ATOM 0 HD2 PRO A 31 146.785 -14.236 -4.199 1.00 0.00 H new ATOM 0 HD3 PRO A 31 145.463 -13.779 -5.254 1.00 0.00 H new ATOM 406 N PHE A 32 145.851 -10.252 -1.209 1.00 0.00 N ATOM 407 CA PHE A 32 146.434 -9.855 0.067 1.00 0.00 C ATOM 408 C PHE A 32 145.612 -8.748 0.720 1.00 0.00 C ATOM 409 O PHE A 32 144.860 -8.042 0.049 1.00 0.00 O ATOM 410 CB PHE A 32 147.877 -9.388 -0.130 1.00 0.00 C ATOM 411 CG PHE A 32 148.019 -8.298 -1.154 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.534 -7.025 -0.902 1.00 0.00 C ATOM 413 CD2 PHE A 32 148.640 -8.547 -2.368 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.664 -6.020 -1.841 1.00 0.00 C ATOM 415 CE2 PHE A 32 148.773 -7.546 -3.312 1.00 0.00 C ATOM 416 CZ PHE A 32 148.284 -6.282 -3.048 1.00 0.00 C ATOM 0 H PHE A 32 145.595 -9.473 -1.816 1.00 0.00 H new ATOM 0 HA PHE A 32 146.428 -10.723 0.726 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.269 -9.034 0.823 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.488 -10.239 -0.430 1.00 0.00 H new ATOM 0 HD1 PHE A 32 147.048 -6.816 0.040 1.00 0.00 H new ATOM 0 HD2 PHE A 32 149.024 -9.534 -2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 32 147.282 -5.032 -1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 32 149.259 -7.752 -4.254 1.00 0.00 H new ATOM 0 HZ PHE A 32 148.386 -5.499 -3.784 1.00 0.00 H new ATOM 426 N TYR A 33 145.762 -8.603 2.033 1.00 0.00 N ATOM 427 CA TYR A 33 145.034 -7.581 2.776 1.00 0.00 C ATOM 428 C TYR A 33 145.997 -6.644 3.499 1.00 0.00 C ATOM 429 O TYR A 33 147.087 -7.049 3.903 1.00 0.00 O ATOM 430 CB TYR A 33 144.087 -8.234 3.785 1.00 0.00 C ATOM 431 CG TYR A 33 142.732 -8.579 3.208 1.00 0.00 C ATOM 432 CD1 TYR A 33 141.918 -7.595 2.662 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.269 -9.888 3.211 1.00 0.00 C ATOM 434 CE1 TYR A 33 140.679 -7.907 2.134 1.00 0.00 C ATOM 435 CE2 TYR A 33 141.032 -10.209 2.685 1.00 0.00 C ATOM 436 CZ TYR A 33 140.241 -9.215 2.148 1.00 0.00 C ATOM 437 OH TYR A 33 139.009 -9.529 1.623 1.00 0.00 O ATOM 0 H TYR A 33 146.380 -9.180 2.603 1.00 0.00 H new ATOM 0 HA TYR A 33 144.451 -6.996 2.065 1.00 0.00 H new ATOM 0 HB2 TYR A 33 144.550 -9.142 4.171 1.00 0.00 H new ATOM 0 HB3 TYR A 33 143.951 -7.561 4.632 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.258 -6.570 2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 33 142.886 -10.668 3.631 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.057 -7.131 1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 33 140.687 -11.232 2.694 1.00 0.00 H new ATOM 0 HH TYR A 33 138.852 -10.492 1.710 1.00 0.00 H new ATOM 447 N GLY A 34 145.588 -5.390 3.655 1.00 0.00 N ATOM 448 CA GLY A 34 146.426 -4.415 4.328 1.00 0.00 C ATOM 449 C GLY A 34 145.678 -3.140 4.665 1.00 0.00 C ATOM 450 O GLY A 34 144.607 -2.877 4.118 1.00 0.00 O ATOM 0 H GLY A 34 144.691 -5.031 3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 34 146.823 -4.853 5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.279 -4.175 3.694 1.00 0.00 H new ATOM 454 N VAL A 35 146.244 -2.346 5.568 1.00 0.00 N ATOM 455 CA VAL A 35 145.624 -1.091 5.977 1.00 0.00 C ATOM 456 C VAL A 35 146.363 0.106 5.385 1.00 0.00 C ATOM 457 O VAL A 35 147.579 0.065 5.197 1.00 0.00 O ATOM 458 CB VAL A 35 145.590 -0.957 7.512 1.00 0.00 C ATOM 459 CG1 VAL A 35 147.001 -0.934 8.085 1.00 0.00 C ATOM 460 CG2 VAL A 35 144.819 0.290 7.924 1.00 0.00 C ATOM 0 H VAL A 35 147.130 -2.549 6.030 1.00 0.00 H new ATOM 0 HA VAL A 35 144.602 -1.103 5.599 1.00 0.00 H new ATOM 0 HB VAL A 35 145.075 -1.827 7.919 1.00 0.00 H new ATOM 0 HG11 VAL A 35 146.952 -0.839 9.170 1.00 0.00 H new ATOM 0 HG12 VAL A 35 147.514 -1.860 7.825 1.00 0.00 H new ATOM 0 HG13 VAL A 35 147.548 -0.087 7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 35 144.806 0.367 9.011 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.302 1.172 7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 35 143.796 0.225 7.553 1.00 0.00 H new ATOM 470 N ILE A 36 145.621 1.169 5.094 1.00 0.00 N ATOM 471 CA ILE A 36 146.207 2.375 4.523 1.00 0.00 C ATOM 472 C ILE A 36 147.145 3.051 5.518 1.00 0.00 C ATOM 473 O ILE A 36 146.891 3.051 6.723 1.00 0.00 O ATOM 474 CB ILE A 36 145.120 3.381 4.093 1.00 0.00 C ATOM 475 CG1 ILE A 36 144.081 2.694 3.203 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.747 4.563 3.367 1.00 0.00 C ATOM 477 CD1 ILE A 36 142.977 3.619 2.739 1.00 0.00 C ATOM 0 H ILE A 36 144.613 1.220 5.244 1.00 0.00 H new ATOM 0 HA ILE A 36 146.772 2.067 3.643 1.00 0.00 H new ATOM 0 HB ILE A 36 144.618 3.753 4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.582 2.274 2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.640 1.861 3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.966 5.263 3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.452 5.065 4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 36 146.272 4.208 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.277 3.065 2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.450 4.020 3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.407 4.439 2.164 1.00 0.00 H new ATOM 489 N ARG A 37 148.228 3.626 5.006 1.00 0.00 N ATOM 490 CA ARG A 37 149.204 4.304 5.850 1.00 0.00 C ATOM 491 C ARG A 37 149.446 5.729 5.366 1.00 0.00 C ATOM 492 O ARG A 37 149.122 6.695 6.059 1.00 0.00 O ATOM 493 CB ARG A 37 150.523 3.529 5.865 1.00 0.00 C ATOM 494 CG ARG A 37 150.357 2.054 6.182 1.00 0.00 C ATOM 495 CD ARG A 37 150.282 1.811 7.681 1.00 0.00 C ATOM 496 NE ARG A 37 149.059 2.357 8.264 1.00 0.00 N ATOM 497 CZ ARG A 37 148.901 2.596 9.564 1.00 0.00 C ATOM 498 NH1 ARG A 37 149.884 2.341 10.419 1.00 0.00 N ATOM 499 NH2 ARG A 37 147.755 3.094 10.011 1.00 0.00 N ATOM 0 H ARG A 37 148.452 3.636 4.011 1.00 0.00 H new ATOM 0 HA ARG A 37 148.803 4.346 6.863 1.00 0.00 H new ATOM 0 HB2 ARG A 37 151.006 3.631 4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 37 151.190 3.978 6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 37 149.451 1.678 5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.193 1.494 5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 37 150.330 0.740 7.877 1.00 0.00 H new ATOM 0 HD3 ARG A 37 151.148 2.263 8.165 1.00 0.00 H new ATOM 0 HE ARG A 37 148.281 2.567 7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 37 150.768 1.959 10.081 1.00 0.00 H new ATOM 0 HH12 ARG A 37 149.756 2.527 11.414 1.00 0.00 H new ATOM 0 HH21 ARG A 37 146.997 3.293 9.359 1.00 0.00 H new ATOM 0 HH22 ARG A 37 147.633 3.278 11.007 1.00 0.00 H new ATOM 513 N TRP A 38 150.018 5.857 4.174 1.00 0.00 N ATOM 514 CA TRP A 38 150.303 7.167 3.600 1.00 0.00 C ATOM 515 C TRP A 38 149.570 7.354 2.273 1.00 0.00 C ATOM 516 O TRP A 38 149.606 6.486 1.403 1.00 0.00 O ATOM 517 CB TRP A 38 151.811 7.343 3.394 1.00 0.00 C ATOM 518 CG TRP A 38 152.167 8.555 2.584 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.439 9.807 3.055 1.00 0.00 C ATOM 520 CD2 TRP A 38 152.280 8.629 1.158 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.716 10.655 2.009 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.626 9.954 0.834 1.00 0.00 C ATOM 523 CE3 TRP A 38 152.126 7.701 0.124 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.817 10.374 -0.480 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.317 8.119 -1.180 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.659 9.445 -1.472 1.00 0.00 C ATOM 0 H TRP A 38 150.293 5.070 3.586 1.00 0.00 H new ATOM 0 HA TRP A 38 149.949 7.925 4.299 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.297 7.411 4.367 1.00 0.00 H new ATOM 0 HB3 TRP A 38 152.208 6.456 2.900 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.437 10.090 4.097 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.950 11.644 2.093 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.863 6.676 0.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 153.080 11.396 -0.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.200 7.411 -1.987 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.801 9.740 -2.501 1.00 0.00 H new ATOM 537 N ILE A 39 148.917 8.501 2.127 1.00 0.00 N ATOM 538 CA ILE A 39 148.186 8.818 0.908 1.00 0.00 C ATOM 539 C ILE A 39 148.671 10.138 0.321 1.00 0.00 C ATOM 540 O ILE A 39 148.372 11.210 0.847 1.00 0.00 O ATOM 541 CB ILE A 39 146.670 8.909 1.166 1.00 0.00 C ATOM 542 CG1 ILE A 39 146.190 7.688 1.952 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.914 9.031 -0.149 1.00 0.00 C ATOM 544 CD1 ILE A 39 144.834 7.878 2.597 1.00 0.00 C ATOM 0 H ILE A 39 148.879 9.229 2.841 1.00 0.00 H new ATOM 0 HA ILE A 39 148.373 8.010 0.201 1.00 0.00 H new ATOM 0 HB ILE A 39 146.471 9.801 1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 39 146.148 6.829 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 39 146.921 7.454 2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.844 9.094 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 39 146.239 9.930 -0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 39 146.116 8.157 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.558 6.972 3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 39 144.876 8.717 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 39 144.090 8.082 1.827 1.00 0.00 H new ATOM 556 N GLY A 40 149.430 10.056 -0.768 1.00 0.00 N ATOM 557 CA GLY A 40 149.949 11.255 -1.397 1.00 0.00 C ATOM 558 C GLY A 40 150.476 11.005 -2.796 1.00 0.00 C ATOM 559 O GLY A 40 150.229 9.951 -3.382 1.00 0.00 O ATOM 0 H GLY A 40 149.694 9.183 -1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 40 149.161 12.007 -1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.749 11.666 -0.781 1.00 0.00 H new ATOM 563 N GLN A 41 151.202 11.981 -3.330 1.00 0.00 N ATOM 564 CA GLN A 41 151.768 11.874 -4.667 1.00 0.00 C ATOM 565 C GLN A 41 153.268 12.169 -4.645 1.00 0.00 C ATOM 566 O GLN A 41 153.680 13.290 -4.342 1.00 0.00 O ATOM 567 CB GLN A 41 151.058 12.843 -5.612 1.00 0.00 C ATOM 568 CG GLN A 41 149.543 12.769 -5.531 1.00 0.00 C ATOM 569 CD GLN A 41 148.888 14.133 -5.604 1.00 0.00 C ATOM 570 OE1 GLN A 41 148.296 14.444 -6.750 1.00 0.00 O flip ATOM 571 NE2 GLN A 41 148.913 14.900 -4.641 1.00 0.00 N flip ATOM 0 H GLN A 41 151.412 12.858 -2.854 1.00 0.00 H new ATOM 0 HA GLN A 41 151.623 10.854 -5.023 1.00 0.00 H new ATOM 0 HB2 GLN A 41 151.377 13.860 -5.383 1.00 0.00 H new ATOM 0 HB3 GLN A 41 151.370 12.634 -6.635 1.00 0.00 H new ATOM 0 HG2 GLN A 41 149.169 12.147 -6.344 1.00 0.00 H new ATOM 0 HG3 GLN A 41 149.256 12.282 -4.599 1.00 0.00 H new ATOM 0 HE21 GLN A 41 149.380 14.620 -3.778 1.00 0.00 H new ATOM 0 HE22 GLN A 41 148.467 15.815 -4.706 1.00 0.00 H new ATOM 580 N PRO A 42 154.108 11.168 -4.962 1.00 0.00 N ATOM 581 CA PRO A 42 155.566 11.336 -4.971 1.00 0.00 C ATOM 582 C PRO A 42 156.014 12.453 -5.908 1.00 0.00 C ATOM 583 O PRO A 42 155.280 12.847 -6.814 1.00 0.00 O ATOM 584 CB PRO A 42 156.085 9.983 -5.467 1.00 0.00 C ATOM 585 CG PRO A 42 154.986 9.022 -5.171 1.00 0.00 C ATOM 586 CD PRO A 42 153.712 9.798 -5.334 1.00 0.00 C ATOM 0 HA PRO A 42 155.946 11.616 -3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 42 156.309 10.012 -6.533 1.00 0.00 H new ATOM 0 HB3 PRO A 42 157.005 9.701 -4.956 1.00 0.00 H new ATOM 0 HG2 PRO A 42 155.016 8.171 -5.852 1.00 0.00 H new ATOM 0 HG3 PRO A 42 155.075 8.624 -4.160 1.00 0.00 H new ATOM 0 HD2 PRO A 42 153.338 9.750 -6.357 1.00 0.00 H new ATOM 0 HD3 PRO A 42 152.922 9.417 -4.687 1.00 0.00 H new ATOM 594 N PRO A 43 157.233 12.979 -5.702 1.00 0.00 N ATOM 595 CA PRO A 43 157.777 14.056 -6.534 1.00 0.00 C ATOM 596 C PRO A 43 158.155 13.574 -7.929 1.00 0.00 C ATOM 597 O PRO A 43 159.298 13.186 -8.174 1.00 0.00 O ATOM 598 CB PRO A 43 159.025 14.499 -5.769 1.00 0.00 C ATOM 599 CG PRO A 43 159.441 13.297 -4.994 1.00 0.00 C ATOM 600 CD PRO A 43 158.174 12.565 -4.644 1.00 0.00 C ATOM 0 HA PRO A 43 157.051 14.854 -6.693 1.00 0.00 H new ATOM 0 HB2 PRO A 43 159.812 14.823 -6.450 1.00 0.00 H new ATOM 0 HB3 PRO A 43 158.808 15.339 -5.110 1.00 0.00 H new ATOM 0 HG2 PRO A 43 160.106 12.665 -5.583 1.00 0.00 H new ATOM 0 HG3 PRO A 43 159.987 13.583 -4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 43 158.323 11.485 -4.639 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.811 12.841 -3.654 1.00 0.00 H new ATOM 608 N GLY A 44 157.190 13.600 -8.840 1.00 0.00 N ATOM 609 CA GLY A 44 157.445 13.163 -10.199 1.00 0.00 C ATOM 610 C GLY A 44 156.181 12.744 -10.922 1.00 0.00 C ATOM 611 O GLY A 44 155.911 13.204 -12.031 1.00 0.00 O ATOM 0 H GLY A 44 156.236 13.916 -8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 44 157.925 13.970 -10.752 1.00 0.00 H new ATOM 0 HA3 GLY A 44 158.144 12.327 -10.183 1.00 0.00 H new ATOM 615 N LEU A 45 155.404 11.870 -10.292 1.00 0.00 N ATOM 616 CA LEU A 45 154.160 11.392 -10.885 1.00 0.00 C ATOM 617 C LEU A 45 152.973 11.708 -9.985 1.00 0.00 C ATOM 618 O LEU A 45 152.855 11.166 -8.887 1.00 0.00 O ATOM 619 CB LEU A 45 154.235 9.885 -11.138 1.00 0.00 C ATOM 620 CG LEU A 45 154.759 9.057 -9.963 1.00 0.00 C ATOM 621 CD1 LEU A 45 154.329 7.602 -10.098 1.00 0.00 C ATOM 622 CD2 LEU A 45 156.276 9.165 -9.870 1.00 0.00 C ATOM 0 H LEU A 45 155.612 11.479 -9.373 1.00 0.00 H new ATOM 0 HA LEU A 45 154.020 11.906 -11.836 1.00 0.00 H new ATOM 0 HB2 LEU A 45 153.240 9.526 -11.401 1.00 0.00 H new ATOM 0 HB3 LEU A 45 154.876 9.708 -12.002 1.00 0.00 H new ATOM 0 HG LEU A 45 154.330 9.454 -9.043 1.00 0.00 H new ATOM 0 HD11 LEU A 45 154.711 7.030 -9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 45 153.241 7.544 -10.113 1.00 0.00 H new ATOM 0 HD13 LEU A 45 154.727 7.190 -11.025 1.00 0.00 H new ATOM 0 HD21 LEU A 45 156.632 8.570 -9.029 1.00 0.00 H new ATOM 0 HD22 LEU A 45 156.724 8.795 -10.792 1.00 0.00 H new ATOM 0 HD23 LEU A 45 156.558 10.207 -9.722 1.00 0.00 H new ATOM 634 N ASN A 46 152.092 12.585 -10.453 1.00 0.00 N ATOM 635 CA ASN A 46 150.917 12.960 -9.678 1.00 0.00 C ATOM 636 C ASN A 46 149.897 11.827 -9.676 1.00 0.00 C ATOM 637 O ASN A 46 149.248 11.560 -10.688 1.00 0.00 O ATOM 638 CB ASN A 46 150.287 14.231 -10.253 1.00 0.00 C ATOM 639 CG ASN A 46 149.594 15.064 -9.194 1.00 0.00 C ATOM 640 OD1 ASN A 46 150.201 15.450 -8.195 1.00 0.00 O ATOM 641 ND2 ASN A 46 148.314 15.348 -9.407 1.00 0.00 N ATOM 0 H ASN A 46 152.169 13.047 -11.359 1.00 0.00 H new ATOM 0 HA ASN A 46 151.227 13.153 -8.651 1.00 0.00 H new ATOM 0 HB2 ASN A 46 151.060 14.830 -10.734 1.00 0.00 H new ATOM 0 HB3 ASN A 46 149.568 13.959 -11.025 1.00 0.00 H new ATOM 0 HD21 ASN A 46 147.796 15.906 -8.729 1.00 0.00 H new ATOM 0 HD22 ASN A 46 147.849 15.008 -10.249 1.00 0.00 H new ATOM 648 N GLU A 47 149.764 11.164 -8.533 1.00 0.00 N ATOM 649 CA GLU A 47 148.825 10.057 -8.394 1.00 0.00 C ATOM 650 C GLU A 47 148.632 9.691 -6.927 1.00 0.00 C ATOM 651 O GLU A 47 149.588 9.338 -6.237 1.00 0.00 O ATOM 652 CB GLU A 47 149.318 8.836 -9.176 1.00 0.00 C ATOM 653 CG GLU A 47 150.823 8.625 -9.095 1.00 0.00 C ATOM 654 CD GLU A 47 151.334 7.670 -10.157 1.00 0.00 C ATOM 655 OE1 GLU A 47 151.504 8.106 -11.316 1.00 0.00 O ATOM 656 OE2 GLU A 47 151.564 6.487 -9.830 1.00 0.00 O ATOM 0 H GLU A 47 150.295 11.374 -7.688 1.00 0.00 H new ATOM 0 HA GLU A 47 147.865 10.375 -8.802 1.00 0.00 H new ATOM 0 HB2 GLU A 47 148.814 7.946 -8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 47 149.031 8.945 -10.222 1.00 0.00 H new ATOM 0 HG2 GLU A 47 151.327 9.585 -9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 47 151.080 8.238 -8.109 1.00 0.00 H new ATOM 663 N VAL A 48 147.394 9.770 -6.455 1.00 0.00 N ATOM 664 CA VAL A 48 147.090 9.436 -5.070 1.00 0.00 C ATOM 665 C VAL A 48 147.386 7.966 -4.794 1.00 0.00 C ATOM 666 O VAL A 48 146.588 7.090 -5.124 1.00 0.00 O ATOM 667 CB VAL A 48 145.617 9.726 -4.729 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.372 9.565 -3.236 1.00 0.00 C ATOM 669 CG2 VAL A 48 145.225 11.120 -5.195 1.00 0.00 C ATOM 0 H VAL A 48 146.588 10.061 -7.008 1.00 0.00 H new ATOM 0 HA VAL A 48 147.724 10.062 -4.442 1.00 0.00 H new ATOM 0 HB VAL A 48 144.993 9.004 -5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.325 9.774 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.609 8.544 -2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 48 146.005 10.261 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 48 144.181 11.307 -4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 48 145.854 11.860 -4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 48 145.359 11.194 -6.274 1.00 0.00 H new ATOM 679 N LEU A 49 148.540 7.705 -4.191 1.00 0.00 N ATOM 680 CA LEU A 49 148.943 6.339 -3.876 1.00 0.00 C ATOM 681 C LEU A 49 148.854 6.082 -2.378 1.00 0.00 C ATOM 682 O LEU A 49 149.567 6.701 -1.587 1.00 0.00 O ATOM 683 CB LEU A 49 150.369 6.080 -4.366 1.00 0.00 C ATOM 684 CG LEU A 49 150.575 6.243 -5.874 1.00 0.00 C ATOM 685 CD1 LEU A 49 152.038 6.510 -6.186 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.086 5.007 -6.614 1.00 0.00 C ATOM 0 H LEU A 49 149.212 8.419 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 49 148.262 5.657 -4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 49 151.045 6.760 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.656 5.067 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 49 149.991 7.099 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 49 152.166 6.623 -7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.356 7.424 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 49 152.643 5.674 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.240 5.140 -7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 49 150.643 4.134 -6.273 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.024 4.860 -6.415 1.00 0.00 H new ATOM 698 N ALA A 50 147.974 5.167 -1.992 1.00 0.00 N ATOM 699 CA ALA A 50 147.792 4.831 -0.587 1.00 0.00 C ATOM 700 C ALA A 50 148.688 3.666 -0.182 1.00 0.00 C ATOM 701 O ALA A 50 148.525 2.546 -0.669 1.00 0.00 O ATOM 702 CB ALA A 50 146.333 4.503 -0.306 1.00 0.00 C ATOM 0 H ALA A 50 147.376 4.645 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 50 148.077 5.698 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.213 4.254 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.713 5.366 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 50 146.027 3.654 -0.917 1.00 0.00 H new ATOM 708 N GLY A 51 149.636 3.935 0.710 1.00 0.00 N ATOM 709 CA GLY A 51 150.544 2.898 1.164 1.00 0.00 C ATOM 710 C GLY A 51 149.868 1.892 2.075 1.00 0.00 C ATOM 711 O GLY A 51 149.409 2.241 3.164 1.00 0.00 O ATOM 0 H GLY A 51 149.792 4.853 1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 51 150.959 2.379 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.380 3.357 1.692 1.00 0.00 H new ATOM 715 N LEU A 52 149.805 0.641 1.630 1.00 0.00 N ATOM 716 CA LEU A 52 149.180 -0.418 2.412 1.00 0.00 C ATOM 717 C LEU A 52 150.233 -1.315 3.054 1.00 0.00 C ATOM 718 O LEU A 52 151.307 -1.530 2.492 1.00 0.00 O ATOM 719 CB LEU A 52 148.252 -1.254 1.528 1.00 0.00 C ATOM 720 CG LEU A 52 147.044 -0.503 0.965 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.417 -1.283 -0.179 1.00 0.00 C ATOM 722 CD2 LEU A 52 146.020 -0.245 2.061 1.00 0.00 C ATOM 0 H LEU A 52 150.180 0.337 0.731 1.00 0.00 H new ATOM 0 HA LEU A 52 148.594 0.048 3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 52 148.831 -1.655 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 52 147.894 -2.106 2.107 1.00 0.00 H new ATOM 0 HG LEU A 52 147.384 0.458 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.559 -0.734 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.151 -1.417 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.090 -2.258 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.167 0.290 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.684 -1.195 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.474 0.355 2.849 1.00 0.00 H new ATOM 734 N GLU A 53 149.920 -1.837 4.235 1.00 0.00 N ATOM 735 CA GLU A 53 150.839 -2.711 4.955 1.00 0.00 C ATOM 736 C GLU A 53 150.313 -4.142 4.991 1.00 0.00 C ATOM 737 O GLU A 53 149.343 -4.440 5.687 1.00 0.00 O ATOM 738 CB GLU A 53 151.054 -2.198 6.380 1.00 0.00 C ATOM 739 CG GLU A 53 152.076 -3.001 7.168 1.00 0.00 C ATOM 740 CD GLU A 53 151.719 -3.118 8.637 1.00 0.00 C ATOM 741 OE1 GLU A 53 150.550 -3.430 8.941 1.00 0.00 O ATOM 742 OE2 GLU A 53 152.611 -2.896 9.484 1.00 0.00 O ATOM 0 H GLU A 53 149.035 -1.670 4.715 1.00 0.00 H new ATOM 0 HA GLU A 53 151.793 -2.707 4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.376 -1.157 6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 53 150.102 -2.216 6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 53 152.159 -3.999 6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 53 153.054 -2.530 7.072 1.00 0.00 H new ATOM 749 N LEU A 54 150.962 -5.024 4.237 1.00 0.00 N ATOM 750 CA LEU A 54 150.559 -6.425 4.184 1.00 0.00 C ATOM 751 C LEU A 54 150.879 -7.133 5.496 1.00 0.00 C ATOM 752 O LEU A 54 151.963 -6.967 6.054 1.00 0.00 O ATOM 753 CB LEU A 54 151.260 -7.134 3.023 1.00 0.00 C ATOM 754 CG LEU A 54 151.173 -6.415 1.676 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.099 -7.067 0.662 1.00 0.00 C ATOM 756 CD2 LEU A 54 149.740 -6.410 1.167 1.00 0.00 C ATOM 0 H LEU A 54 151.768 -4.794 3.655 1.00 0.00 H new ATOM 0 HA LEU A 54 149.481 -6.462 4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.311 -7.266 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 54 150.831 -8.130 2.914 1.00 0.00 H new ATOM 0 HG LEU A 54 151.492 -5.382 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.023 -6.542 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.126 -7.018 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 54 151.812 -8.110 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 54 149.696 -5.894 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 54 149.394 -7.436 1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 54 149.101 -5.896 1.885 1.00 0.00 H new ATOM 768 N GLU A 55 149.927 -7.923 5.983 1.00 0.00 N ATOM 769 CA GLU A 55 150.107 -8.656 7.231 1.00 0.00 C ATOM 770 C GLU A 55 151.145 -9.762 7.068 1.00 0.00 C ATOM 771 O GLU A 55 151.941 -10.018 7.971 1.00 0.00 O ATOM 772 CB GLU A 55 148.777 -9.253 7.693 1.00 0.00 C ATOM 773 CG GLU A 55 147.874 -8.254 8.399 1.00 0.00 C ATOM 774 CD GLU A 55 146.405 -8.609 8.276 1.00 0.00 C ATOM 775 OE1 GLU A 55 146.074 -9.809 8.379 1.00 0.00 O ATOM 776 OE2 GLU A 55 145.587 -7.687 8.079 1.00 0.00 O ATOM 0 H GLU A 55 149.024 -8.072 5.533 1.00 0.00 H new ATOM 0 HA GLU A 55 150.464 -7.956 7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 55 148.251 -9.658 6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 55 148.977 -10.088 8.365 1.00 0.00 H new ATOM 0 HG2 GLU A 55 148.146 -8.206 9.454 1.00 0.00 H new ATOM 0 HG3 GLU A 55 148.040 -7.261 7.982 1.00 0.00 H new ATOM 783 N ASP A 56 151.131 -10.414 5.910 1.00 0.00 N ATOM 784 CA ASP A 56 152.071 -11.493 5.629 1.00 0.00 C ATOM 785 C ASP A 56 153.436 -10.937 5.235 1.00 0.00 C ATOM 786 O ASP A 56 153.564 -10.234 4.232 1.00 0.00 O ATOM 787 CB ASP A 56 151.531 -12.390 4.514 1.00 0.00 C ATOM 788 CG ASP A 56 150.706 -13.544 5.048 1.00 0.00 C ATOM 789 OD1 ASP A 56 149.498 -13.344 5.299 1.00 0.00 O ATOM 790 OD2 ASP A 56 151.266 -14.647 5.216 1.00 0.00 O ATOM 0 H ASP A 56 150.479 -10.214 5.151 1.00 0.00 H new ATOM 0 HA ASP A 56 152.189 -12.085 6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 56 150.920 -11.794 3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 56 152.365 -12.782 3.931 1.00 0.00 H new ATOM 795 N GLU A 57 154.450 -11.257 6.030 1.00 0.00 N ATOM 796 CA GLU A 57 155.806 -10.789 5.765 1.00 0.00 C ATOM 797 C GLU A 57 156.388 -11.479 4.536 1.00 0.00 C ATOM 798 O GLU A 57 156.885 -12.602 4.617 1.00 0.00 O ATOM 799 CB GLU A 57 156.703 -11.045 6.978 1.00 0.00 C ATOM 800 CG GLU A 57 156.726 -9.893 7.971 1.00 0.00 C ATOM 801 CD GLU A 57 158.025 -9.819 8.748 1.00 0.00 C ATOM 802 OE1 GLU A 57 158.478 -10.870 9.247 1.00 0.00 O ATOM 803 OE2 GLU A 57 158.589 -8.710 8.857 1.00 0.00 O ATOM 0 H GLU A 57 154.360 -11.838 6.863 1.00 0.00 H new ATOM 0 HA GLU A 57 155.762 -9.717 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 57 156.363 -11.946 7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 57 157.719 -11.238 6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 57 156.572 -8.955 7.437 1.00 0.00 H new ATOM 0 HG3 GLU A 57 155.896 -10.003 8.668 1.00 0.00 H new ATOM 810 N CYS A 58 156.324 -10.798 3.395 1.00 0.00 N ATOM 811 CA CYS A 58 156.845 -11.345 2.148 1.00 0.00 C ATOM 812 C CYS A 58 158.162 -10.675 1.768 1.00 0.00 C ATOM 813 O CYS A 58 158.232 -9.454 1.635 1.00 0.00 O ATOM 814 CB CYS A 58 155.824 -11.166 1.023 1.00 0.00 C ATOM 815 SG CYS A 58 155.774 -12.540 -0.153 1.00 0.00 S ATOM 0 H CYS A 58 155.916 -9.867 3.309 1.00 0.00 H new ATOM 0 HA CYS A 58 157.030 -12.409 2.296 1.00 0.00 H new ATOM 0 HB2 CYS A 58 154.834 -11.041 1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 58 156.052 -10.247 0.483 1.00 0.00 H new ATOM 0 HG CYS A 58 154.880 -12.298 -1.065 1.00 0.00 H new ATOM 821 N ALA A 59 159.202 -11.483 1.594 1.00 0.00 N ATOM 822 CA ALA A 59 160.516 -10.969 1.228 1.00 0.00 C ATOM 823 C ALA A 59 160.463 -10.227 -0.103 1.00 0.00 C ATOM 824 O ALA A 59 159.799 -10.664 -1.042 1.00 0.00 O ATOM 825 CB ALA A 59 161.527 -12.103 1.163 1.00 0.00 C ATOM 0 H ALA A 59 159.160 -12.497 1.701 1.00 0.00 H new ATOM 0 HA ALA A 59 160.830 -10.262 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 59 162.504 -11.704 0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 59 161.593 -12.587 2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 59 161.210 -12.831 0.417 1.00 0.00 H new ATOM 831 N GLY A 60 161.170 -9.103 -0.175 1.00 0.00 N ATOM 832 CA GLY A 60 161.191 -8.318 -1.396 1.00 0.00 C ATOM 833 C GLY A 60 160.533 -6.963 -1.226 1.00 0.00 C ATOM 834 O GLY A 60 160.888 -6.002 -1.909 1.00 0.00 O ATOM 0 H GLY A 60 161.728 -8.722 0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 60 162.223 -8.179 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 60 160.682 -8.869 -2.187 1.00 0.00 H new ATOM 838 N CYS A 61 159.571 -6.885 -0.311 1.00 0.00 N ATOM 839 CA CYS A 61 158.862 -5.638 -0.052 1.00 0.00 C ATOM 840 C CYS A 61 159.720 -4.685 0.773 1.00 0.00 C ATOM 841 O CYS A 61 160.794 -5.054 1.249 1.00 0.00 O ATOM 842 CB CYS A 61 157.545 -5.916 0.675 1.00 0.00 C ATOM 843 SG CYS A 61 156.398 -6.962 -0.252 1.00 0.00 S ATOM 0 H CYS A 61 159.265 -7.671 0.263 1.00 0.00 H new ATOM 0 HA CYS A 61 158.647 -5.167 -1.011 1.00 0.00 H new ATOM 0 HB2 CYS A 61 157.763 -6.392 1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 61 157.057 -4.967 0.896 1.00 0.00 H new ATOM 0 HG CYS A 61 155.315 -7.142 0.445 1.00 0.00 H new ATOM 849 N THR A 62 159.239 -3.456 0.939 1.00 0.00 N ATOM 850 CA THR A 62 159.963 -2.450 1.708 1.00 0.00 C ATOM 851 C THR A 62 159.381 -2.315 3.111 1.00 0.00 C ATOM 852 O THR A 62 158.425 -3.005 3.466 1.00 0.00 O ATOM 853 CB THR A 62 159.916 -1.100 0.991 1.00 0.00 C ATOM 854 OG1 THR A 62 158.579 -0.739 0.691 1.00 0.00 O ATOM 855 CG2 THR A 62 160.698 -1.081 -0.304 1.00 0.00 C ATOM 0 H THR A 62 158.352 -3.134 0.552 1.00 0.00 H new ATOM 0 HA THR A 62 161.001 -2.772 1.795 1.00 0.00 H new ATOM 0 HB THR A 62 160.372 -0.391 1.681 1.00 0.00 H new ATOM 0 HG1 THR A 62 158.561 0.166 0.316 1.00 0.00 H new ATOM 0 HG21 THR A 62 160.622 -0.094 -0.760 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.745 -1.307 -0.100 1.00 0.00 H new ATOM 0 HG23 THR A 62 160.291 -1.828 -0.986 1.00 0.00 H new ATOM 863 N ASP A 63 159.965 -1.423 3.905 1.00 0.00 N ATOM 864 CA ASP A 63 159.504 -1.198 5.270 1.00 0.00 C ATOM 865 C ASP A 63 158.813 0.156 5.394 1.00 0.00 C ATOM 866 O ASP A 63 158.857 0.791 6.448 1.00 0.00 O ATOM 867 CB ASP A 63 160.679 -1.275 6.246 1.00 0.00 C ATOM 868 CG ASP A 63 161.788 -0.301 5.895 1.00 0.00 C ATOM 869 OD1 ASP A 63 161.497 0.713 5.227 1.00 0.00 O ATOM 870 OD2 ASP A 63 162.946 -0.553 6.289 1.00 0.00 O ATOM 0 H ASP A 63 160.758 -0.845 3.627 1.00 0.00 H new ATOM 0 HA ASP A 63 158.783 -1.978 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.323 -1.068 7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 63 161.078 -2.289 6.250 1.00 0.00 H new ATOM 875 N GLY A 64 158.175 0.590 4.313 1.00 0.00 N ATOM 876 CA GLY A 64 157.484 1.866 4.322 1.00 0.00 C ATOM 877 C GLY A 64 158.202 2.922 3.504 1.00 0.00 C ATOM 878 O GLY A 64 158.319 4.072 3.928 1.00 0.00 O ATOM 0 H GLY A 64 158.124 0.081 3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.475 1.732 3.931 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.384 2.214 5.350 1.00 0.00 H new ATOM 882 N THR A 65 158.685 2.531 2.330 1.00 0.00 N ATOM 883 CA THR A 65 159.396 3.451 1.451 1.00 0.00 C ATOM 884 C THR A 65 158.996 3.233 -0.005 1.00 0.00 C ATOM 885 O THR A 65 159.192 2.152 -0.558 1.00 0.00 O ATOM 886 CB THR A 65 160.908 3.273 1.608 1.00 0.00 C ATOM 887 OG1 THR A 65 161.280 1.926 1.381 1.00 0.00 O ATOM 888 CG2 THR A 65 161.417 3.668 2.977 1.00 0.00 C ATOM 0 H THR A 65 158.597 1.583 1.965 1.00 0.00 H new ATOM 0 HA THR A 65 159.124 4.468 1.735 1.00 0.00 H new ATOM 0 HB THR A 65 161.356 3.935 0.867 1.00 0.00 H new ATOM 0 HG1 THR A 65 160.710 1.542 0.682 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.496 3.518 3.021 1.00 0.00 H new ATOM 0 HG22 THR A 65 161.189 4.718 3.161 1.00 0.00 H new ATOM 0 HG23 THR A 65 160.933 3.053 3.736 1.00 0.00 H new ATOM 896 N PHE A 66 158.432 4.269 -0.619 1.00 0.00 N ATOM 897 CA PHE A 66 158.003 4.191 -2.010 1.00 0.00 C ATOM 898 C PHE A 66 158.983 4.919 -2.924 1.00 0.00 C ATOM 899 O PHE A 66 159.112 6.141 -2.864 1.00 0.00 O ATOM 900 CB PHE A 66 156.603 4.786 -2.169 1.00 0.00 C ATOM 901 CG PHE A 66 155.984 4.516 -3.511 1.00 0.00 C ATOM 902 CD1 PHE A 66 155.770 3.216 -3.941 1.00 0.00 C ATOM 903 CD2 PHE A 66 155.616 5.562 -4.341 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.201 2.966 -5.176 1.00 0.00 C ATOM 905 CE2 PHE A 66 155.047 5.318 -5.577 1.00 0.00 C ATOM 906 CZ PHE A 66 154.839 4.018 -5.994 1.00 0.00 C ATOM 0 H PHE A 66 158.262 5.171 -0.175 1.00 0.00 H new ATOM 0 HA PHE A 66 157.978 3.140 -2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 66 155.955 4.382 -1.391 1.00 0.00 H new ATOM 0 HB3 PHE A 66 156.655 5.863 -2.012 1.00 0.00 H new ATOM 0 HD1 PHE A 66 156.051 2.390 -3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 66 155.775 6.580 -4.019 1.00 0.00 H new ATOM 0 HE1 PHE A 66 155.040 1.949 -5.501 1.00 0.00 H new ATOM 0 HE2 PHE A 66 154.766 6.142 -6.215 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.394 3.824 -6.959 1.00 0.00 H new ATOM 916 N ARG A 67 159.672 4.160 -3.769 1.00 0.00 N ATOM 917 CA ARG A 67 160.642 4.733 -4.696 1.00 0.00 C ATOM 918 C ARG A 67 161.753 5.458 -3.942 1.00 0.00 C ATOM 919 O ARG A 67 162.225 6.510 -4.373 1.00 0.00 O ATOM 920 CB ARG A 67 159.949 5.699 -5.659 1.00 0.00 C ATOM 921 CG ARG A 67 158.864 5.045 -6.499 1.00 0.00 C ATOM 922 CD ARG A 67 158.302 6.010 -7.530 1.00 0.00 C ATOM 923 NE ARG A 67 158.965 5.875 -8.825 1.00 0.00 N ATOM 924 CZ ARG A 67 158.894 4.783 -9.583 1.00 0.00 C ATOM 925 NH1 ARG A 67 158.193 3.731 -9.182 1.00 0.00 N ATOM 926 NH2 ARG A 67 159.527 4.744 -10.749 1.00 0.00 N ATOM 0 H ARG A 67 159.577 3.146 -3.831 1.00 0.00 H new ATOM 0 HA ARG A 67 161.087 3.918 -5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 67 159.511 6.517 -5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 67 160.696 6.137 -6.321 1.00 0.00 H new ATOM 0 HG2 ARG A 67 159.271 4.168 -7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 67 158.061 4.695 -5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 67 157.233 5.831 -7.649 1.00 0.00 H new ATOM 0 HD3 ARG A 67 158.416 7.032 -7.169 1.00 0.00 H new ATOM 0 HE ARG A 67 159.514 6.663 -9.168 1.00 0.00 H new ATOM 0 HH11 ARG A 67 157.704 3.755 -8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 67 158.143 2.898 -9.768 1.00 0.00 H new ATOM 0 HH21 ARG A 67 160.067 5.550 -11.063 1.00 0.00 H new ATOM 0 HH22 ARG A 67 159.473 3.908 -11.331 1.00 0.00 H new ATOM 940 N GLY A 68 162.165 4.888 -2.814 1.00 0.00 N ATOM 941 CA GLY A 68 163.216 5.494 -2.018 1.00 0.00 C ATOM 942 C GLY A 68 162.744 6.731 -1.280 1.00 0.00 C ATOM 943 O GLY A 68 163.533 7.634 -1.000 1.00 0.00 O ATOM 0 H GLY A 68 161.790 4.018 -2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.588 4.765 -1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 68 164.052 5.758 -2.666 1.00 0.00 H new ATOM 947 N THR A 69 161.454 6.772 -0.962 1.00 0.00 N ATOM 948 CA THR A 69 160.878 7.907 -0.252 1.00 0.00 C ATOM 949 C THR A 69 160.006 7.437 0.908 1.00 0.00 C ATOM 950 O THR A 69 158.823 7.148 0.730 1.00 0.00 O ATOM 951 CB THR A 69 160.052 8.769 -1.208 1.00 0.00 C ATOM 952 OG1 THR A 69 160.652 8.810 -2.490 1.00 0.00 O ATOM 953 CG2 THR A 69 159.884 10.196 -0.734 1.00 0.00 C ATOM 0 H THR A 69 160.788 6.032 -1.185 1.00 0.00 H new ATOM 0 HA THR A 69 161.696 8.505 0.150 1.00 0.00 H new ATOM 0 HB THR A 69 159.070 8.298 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 69 160.380 8.021 -3.004 1.00 0.00 H new ATOM 0 HG21 THR A 69 159.289 10.752 -1.458 1.00 0.00 H new ATOM 0 HG22 THR A 69 159.379 10.201 0.232 1.00 0.00 H new ATOM 0 HG23 THR A 69 160.863 10.664 -0.634 1.00 0.00 H new ATOM 961 N ARG A 70 160.599 7.363 2.095 1.00 0.00 N ATOM 962 CA ARG A 70 159.876 6.928 3.284 1.00 0.00 C ATOM 963 C ARG A 70 158.715 7.867 3.589 1.00 0.00 C ATOM 964 O ARG A 70 158.835 9.085 3.454 1.00 0.00 O ATOM 965 CB ARG A 70 160.822 6.862 4.485 1.00 0.00 C ATOM 966 CG ARG A 70 160.172 6.303 5.740 1.00 0.00 C ATOM 967 CD ARG A 70 160.941 6.699 6.990 1.00 0.00 C ATOM 968 NE ARG A 70 162.372 6.430 6.859 1.00 0.00 N ATOM 969 CZ ARG A 70 163.254 6.623 7.838 1.00 0.00 C ATOM 970 NH1 ARG A 70 162.857 7.084 9.017 1.00 0.00 N ATOM 971 NH2 ARG A 70 164.536 6.353 7.637 1.00 0.00 N ATOM 0 H ARG A 70 161.578 7.599 2.259 1.00 0.00 H new ATOM 0 HA ARG A 70 159.474 5.934 3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.683 6.245 4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 70 161.199 7.863 4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 70 159.147 6.666 5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.122 5.216 5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 70 160.788 7.760 7.189 1.00 0.00 H new ATOM 0 HD3 ARG A 70 160.546 6.153 7.847 1.00 0.00 H new ATOM 0 HE ARG A 70 162.715 6.074 5.967 1.00 0.00 H new ATOM 0 HH11 ARG A 70 161.872 7.293 9.177 1.00 0.00 H new ATOM 0 HH12 ARG A 70 163.537 7.230 9.763 1.00 0.00 H new ATOM 0 HH21 ARG A 70 164.847 5.998 6.733 1.00 0.00 H new ATOM 0 HH22 ARG A 70 165.212 6.501 8.387 1.00 0.00 H new ATOM 985 N TYR A 71 157.589 7.295 4.002 1.00 0.00 N ATOM 986 CA TYR A 71 156.404 8.081 4.326 1.00 0.00 C ATOM 987 C TYR A 71 155.921 7.778 5.741 1.00 0.00 C ATOM 988 O TYR A 71 155.586 8.687 6.501 1.00 0.00 O ATOM 989 CB TYR A 71 155.286 7.795 3.322 1.00 0.00 C ATOM 990 CG TYR A 71 155.489 8.465 1.982 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.793 9.819 1.900 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.380 7.745 0.799 1.00 0.00 C ATOM 993 CE1 TYR A 71 155.980 10.435 0.677 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.565 8.354 -0.427 1.00 0.00 C ATOM 995 CZ TYR A 71 155.865 9.698 -0.483 1.00 0.00 C ATOM 996 OH TYR A 71 156.051 10.308 -1.702 1.00 0.00 O ATOM 0 H TYR A 71 157.472 6.289 4.120 1.00 0.00 H new ATOM 0 HA TYR A 71 156.672 9.136 4.270 1.00 0.00 H new ATOM 0 HB2 TYR A 71 155.210 6.718 3.172 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.337 8.126 3.744 1.00 0.00 H new ATOM 0 HD1 TYR A 71 155.885 10.399 2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.147 6.691 0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 71 156.215 11.488 0.630 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.475 7.780 -1.337 1.00 0.00 H new ATOM 0 HH TYR A 71 155.936 9.649 -2.418 1.00 0.00 H new ATOM 1006 N PHE A 72 155.889 6.496 6.088 1.00 0.00 N ATOM 1007 CA PHE A 72 155.447 6.073 7.412 1.00 0.00 C ATOM 1008 C PHE A 72 156.408 5.047 8.004 1.00 0.00 C ATOM 1009 O PHE A 72 157.303 4.553 7.320 1.00 0.00 O ATOM 1010 CB PHE A 72 154.037 5.485 7.338 1.00 0.00 C ATOM 1011 CG PHE A 72 153.868 4.464 6.249 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.748 4.858 4.926 1.00 0.00 C ATOM 1013 CD2 PHE A 72 153.831 3.112 6.548 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.593 3.921 3.921 1.00 0.00 C ATOM 1015 CE2 PHE A 72 153.677 2.171 5.548 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.558 2.576 4.234 1.00 0.00 C ATOM 0 H PHE A 72 156.164 5.732 5.471 1.00 0.00 H new ATOM 0 HA PHE A 72 155.434 6.949 8.061 1.00 0.00 H new ATOM 0 HB2 PHE A 72 153.793 5.026 8.296 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.323 6.293 7.181 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.776 5.909 4.677 1.00 0.00 H new ATOM 0 HD2 PHE A 72 153.924 2.790 7.575 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.499 4.240 2.893 1.00 0.00 H new ATOM 0 HE2 PHE A 72 153.650 1.120 5.794 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.438 1.842 3.451 1.00 0.00 H new ATOM 1026 N THR A 73 156.216 4.732 9.281 1.00 0.00 N ATOM 1027 CA THR A 73 157.064 3.765 9.966 1.00 0.00 C ATOM 1028 C THR A 73 156.309 2.466 10.227 1.00 0.00 C ATOM 1029 O THR A 73 155.430 2.409 11.086 1.00 0.00 O ATOM 1030 CB THR A 73 157.573 4.346 11.286 1.00 0.00 C ATOM 1031 OG1 THR A 73 157.559 5.762 11.249 1.00 0.00 O ATOM 1032 CG2 THR A 73 158.981 3.910 11.630 1.00 0.00 C ATOM 0 H THR A 73 155.480 5.133 9.862 1.00 0.00 H new ATOM 0 HA THR A 73 157.915 3.546 9.321 1.00 0.00 H new ATOM 0 HB THR A 73 156.895 3.964 12.049 1.00 0.00 H new ATOM 0 HG1 THR A 73 157.886 6.115 12.103 1.00 0.00 H new ATOM 0 HG21 THR A 73 159.279 4.358 12.578 1.00 0.00 H new ATOM 0 HG22 THR A 73 159.015 2.824 11.716 1.00 0.00 H new ATOM 0 HG23 THR A 73 159.664 4.234 10.845 1.00 0.00 H new ATOM 1040 N CYS A 74 156.658 1.424 9.478 1.00 0.00 N ATOM 1041 CA CYS A 74 156.013 0.125 9.628 1.00 0.00 C ATOM 1042 C CYS A 74 157.050 -0.992 9.703 1.00 0.00 C ATOM 1043 O CYS A 74 158.254 -0.735 9.695 1.00 0.00 O ATOM 1044 CB CYS A 74 155.055 -0.130 8.464 1.00 0.00 C ATOM 1045 SG CYS A 74 153.368 0.453 8.755 1.00 0.00 S ATOM 0 H CYS A 74 157.384 1.455 8.762 1.00 0.00 H new ATOM 0 HA CYS A 74 155.447 0.134 10.559 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.447 0.357 7.571 1.00 0.00 H new ATOM 0 HB3 CYS A 74 155.028 -1.200 8.258 1.00 0.00 H new ATOM 0 HG CYS A 74 153.050 1.331 7.851 1.00 0.00 H new ATOM 1051 N ALA A 75 156.573 -2.230 9.775 1.00 0.00 N ATOM 1052 CA ALA A 75 157.459 -3.386 9.850 1.00 0.00 C ATOM 1053 C ALA A 75 158.186 -3.607 8.528 1.00 0.00 C ATOM 1054 O ALA A 75 157.865 -2.980 7.520 1.00 0.00 O ATOM 1055 CB ALA A 75 156.671 -4.629 10.237 1.00 0.00 C ATOM 0 H ALA A 75 155.579 -2.459 9.783 1.00 0.00 H new ATOM 0 HA ALA A 75 158.208 -3.191 10.617 1.00 0.00 H new ATOM 0 HB1 ALA A 75 157.344 -5.485 10.289 1.00 0.00 H new ATOM 0 HB2 ALA A 75 156.203 -4.475 11.209 1.00 0.00 H new ATOM 0 HB3 ALA A 75 155.901 -4.819 9.490 1.00 0.00 H new ATOM 1061 N LEU A 76 159.167 -4.503 8.542 1.00 0.00 N ATOM 1062 CA LEU A 76 159.941 -4.808 7.343 1.00 0.00 C ATOM 1063 C LEU A 76 159.236 -5.858 6.492 1.00 0.00 C ATOM 1064 O LEU A 76 158.624 -6.787 7.019 1.00 0.00 O ATOM 1065 CB LEU A 76 161.340 -5.296 7.724 1.00 0.00 C ATOM 1066 CG LEU A 76 162.346 -4.192 8.050 1.00 0.00 C ATOM 1067 CD1 LEU A 76 163.333 -4.663 9.106 1.00 0.00 C ATOM 1068 CD2 LEU A 76 163.078 -3.752 6.792 1.00 0.00 C ATOM 0 H LEU A 76 159.445 -5.031 9.369 1.00 0.00 H new ATOM 0 HA LEU A 76 160.031 -3.894 6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.255 -5.955 8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.735 -5.895 6.903 1.00 0.00 H new ATOM 0 HG LEU A 76 161.801 -3.336 8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 76 164.041 -3.864 9.325 1.00 0.00 H new ATOM 0 HD12 LEU A 76 162.794 -4.929 10.015 1.00 0.00 H new ATOM 0 HD13 LEU A 76 163.873 -5.535 8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 76 163.790 -2.966 7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 76 163.611 -4.602 6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 76 162.359 -3.373 6.066 1.00 0.00 H new ATOM 1080 N LYS A 77 159.327 -5.706 5.175 1.00 0.00 N ATOM 1081 CA LYS A 77 158.698 -6.642 4.250 1.00 0.00 C ATOM 1082 C LYS A 77 157.182 -6.642 4.423 1.00 0.00 C ATOM 1083 O LYS A 77 156.538 -7.688 4.339 1.00 0.00 O ATOM 1084 CB LYS A 77 159.248 -8.053 4.466 1.00 0.00 C ATOM 1085 CG LYS A 77 160.765 -8.109 4.551 1.00 0.00 C ATOM 1086 CD LYS A 77 161.413 -7.639 3.259 1.00 0.00 C ATOM 1087 CE LYS A 77 162.826 -7.132 3.496 1.00 0.00 C ATOM 1088 NZ LYS A 77 162.834 -5.847 4.248 1.00 0.00 N ATOM 0 H LYS A 77 159.831 -4.943 4.724 1.00 0.00 H new ATOM 0 HA LYS A 77 158.930 -6.321 3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 77 158.826 -8.462 5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 77 158.914 -8.693 3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.107 -7.487 5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 77 161.081 -9.130 4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 77 161.436 -8.460 2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.810 -6.846 2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 77 163.393 -7.881 4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 77 163.329 -6.996 2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 163.666 -5.288 3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 161.969 -5.312 4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 162.872 -6.042 5.269 1.00 0.00 H new ATOM 1102 N LYS A 78 156.620 -5.463 4.664 1.00 0.00 N ATOM 1103 CA LYS A 78 155.179 -5.326 4.848 1.00 0.00 C ATOM 1104 C LYS A 78 154.704 -3.943 4.414 1.00 0.00 C ATOM 1105 O LYS A 78 153.844 -3.341 5.056 1.00 0.00 O ATOM 1106 CB LYS A 78 154.805 -5.573 6.310 1.00 0.00 C ATOM 1107 CG LYS A 78 155.324 -6.893 6.858 1.00 0.00 C ATOM 1108 CD LYS A 78 154.929 -7.085 8.313 1.00 0.00 C ATOM 1109 CE LYS A 78 153.688 -7.957 8.445 1.00 0.00 C ATOM 1110 NZ LYS A 78 152.655 -7.323 9.310 1.00 0.00 N ATOM 0 H LYS A 78 157.140 -4.588 4.737 1.00 0.00 H new ATOM 0 HA LYS A 78 154.685 -6.071 4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.196 -4.758 6.919 1.00 0.00 H new ATOM 0 HB3 LYS A 78 153.720 -5.551 6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 78 154.930 -7.716 6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.410 -6.924 6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 78 155.755 -7.542 8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 78 154.743 -6.114 8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 78 153.269 -8.144 7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 78 153.967 -8.925 8.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 151.938 -8.030 9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 153.104 -6.953 10.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 152.201 -6.543 8.794 1.00 0.00 H new ATOM 1124 N ALA A 79 155.270 -3.445 3.320 1.00 0.00 N ATOM 1125 CA ALA A 79 154.904 -2.132 2.800 1.00 0.00 C ATOM 1126 C ALA A 79 154.645 -2.189 1.298 1.00 0.00 C ATOM 1127 O ALA A 79 155.565 -2.390 0.506 1.00 0.00 O ATOM 1128 CB ALA A 79 155.996 -1.120 3.111 1.00 0.00 C ATOM 0 H ALA A 79 155.984 -3.930 2.776 1.00 0.00 H new ATOM 0 HA ALA A 79 153.982 -1.818 3.289 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.711 -0.144 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 79 156.131 -1.051 4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.930 -1.439 2.648 1.00 0.00 H new ATOM 1134 N LEU A 80 153.385 -2.009 0.914 1.00 0.00 N ATOM 1135 CA LEU A 80 153.003 -2.039 -0.493 1.00 0.00 C ATOM 1136 C LEU A 80 152.162 -0.819 -0.854 1.00 0.00 C ATOM 1137 O LEU A 80 151.115 -0.574 -0.254 1.00 0.00 O ATOM 1138 CB LEU A 80 152.226 -3.319 -0.804 1.00 0.00 C ATOM 1139 CG LEU A 80 151.701 -3.427 -2.237 1.00 0.00 C ATOM 1140 CD1 LEU A 80 152.848 -3.637 -3.212 1.00 0.00 C ATOM 1141 CD2 LEU A 80 150.689 -4.557 -2.349 1.00 0.00 C ATOM 0 H LEU A 80 152.612 -1.841 1.557 1.00 0.00 H new ATOM 0 HA LEU A 80 153.913 -2.020 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 80 152.871 -4.175 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.382 -3.389 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 80 151.202 -2.492 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 80 152.455 -3.711 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 80 153.536 -2.794 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 80 153.377 -4.556 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 80 150.326 -4.620 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 80 151.163 -5.499 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 80 149.852 -4.363 -1.679 1.00 0.00 H new ATOM 1153 N PHE A 81 152.628 -0.055 -1.837 1.00 0.00 N ATOM 1154 CA PHE A 81 151.917 1.141 -2.278 1.00 0.00 C ATOM 1155 C PHE A 81 151.046 0.840 -3.493 1.00 0.00 C ATOM 1156 O PHE A 81 151.391 0.000 -4.323 1.00 0.00 O ATOM 1157 CB PHE A 81 152.911 2.255 -2.612 1.00 0.00 C ATOM 1158 CG PHE A 81 153.620 2.808 -1.408 1.00 0.00 C ATOM 1159 CD1 PHE A 81 154.678 2.121 -0.835 1.00 0.00 C ATOM 1160 CD2 PHE A 81 153.227 4.014 -0.849 1.00 0.00 C ATOM 1161 CE1 PHE A 81 155.333 2.628 0.272 1.00 0.00 C ATOM 1162 CE2 PHE A 81 153.877 4.525 0.257 1.00 0.00 C ATOM 1163 CZ PHE A 81 154.931 3.831 0.819 1.00 0.00 C ATOM 0 H PHE A 81 153.494 -0.242 -2.343 1.00 0.00 H new ATOM 0 HA PHE A 81 151.271 1.471 -1.464 1.00 0.00 H new ATOM 0 HB2 PHE A 81 153.651 1.872 -3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.382 3.064 -3.115 1.00 0.00 H new ATOM 0 HD1 PHE A 81 154.995 1.179 -1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 81 152.403 4.560 -1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 81 156.158 2.084 0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 81 153.562 5.466 0.682 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.440 4.228 1.685 1.00 0.00 H new ATOM 1173 N VAL A 82 149.916 1.532 -3.589 1.00 0.00 N ATOM 1174 CA VAL A 82 148.995 1.338 -4.703 1.00 0.00 C ATOM 1175 C VAL A 82 148.135 2.578 -4.926 1.00 0.00 C ATOM 1176 O VAL A 82 148.064 3.458 -4.069 1.00 0.00 O ATOM 1177 CB VAL A 82 148.075 0.126 -4.469 1.00 0.00 C ATOM 1178 CG1 VAL A 82 148.849 -1.173 -4.634 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.433 0.201 -3.092 1.00 0.00 C ATOM 0 H VAL A 82 149.616 2.231 -2.910 1.00 0.00 H new ATOM 0 HA VAL A 82 149.604 1.156 -5.588 1.00 0.00 H new ATOM 0 HB VAL A 82 147.282 0.146 -5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.182 -2.018 -4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.256 -1.228 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 82 149.665 -1.205 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 82 146.786 -0.664 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.210 0.207 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 82 146.842 1.113 -3.015 1.00 0.00 H new ATOM 1189 N LYS A 83 147.485 2.641 -6.083 1.00 0.00 N ATOM 1190 CA LYS A 83 146.629 3.772 -6.419 1.00 0.00 C ATOM 1191 C LYS A 83 145.383 3.794 -5.543 1.00 0.00 C ATOM 1192 O LYS A 83 144.618 2.829 -5.507 1.00 0.00 O ATOM 1193 CB LYS A 83 146.229 3.716 -7.894 1.00 0.00 C ATOM 1194 CG LYS A 83 147.387 3.960 -8.849 1.00 0.00 C ATOM 1195 CD LYS A 83 146.976 3.731 -10.293 1.00 0.00 C ATOM 1196 CE LYS A 83 147.609 4.754 -11.223 1.00 0.00 C ATOM 1197 NZ LYS A 83 148.043 4.144 -12.510 1.00 0.00 N ATOM 0 H LYS A 83 147.535 1.921 -6.804 1.00 0.00 H new ATOM 0 HA LYS A 83 147.193 4.687 -6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 83 145.793 2.740 -8.107 1.00 0.00 H new ATOM 0 HB3 LYS A 83 145.453 4.459 -8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 83 147.749 4.981 -8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.215 3.297 -8.596 1.00 0.00 H new ATOM 0 HD2 LYS A 83 147.270 2.727 -10.601 1.00 0.00 H new ATOM 0 HD3 LYS A 83 145.891 3.785 -10.376 1.00 0.00 H new ATOM 0 HE2 LYS A 83 146.895 5.553 -11.423 1.00 0.00 H new ATOM 0 HE3 LYS A 83 148.468 5.210 -10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 148.469 4.875 -13.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 148.744 3.399 -12.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 147.220 3.731 -12.994 1.00 0.00 H new ATOM 1211 N LEU A 84 145.185 4.902 -4.837 1.00 0.00 N ATOM 1212 CA LEU A 84 144.032 5.055 -3.958 1.00 0.00 C ATOM 1213 C LEU A 84 142.731 4.965 -4.749 1.00 0.00 C ATOM 1214 O LEU A 84 141.738 4.418 -4.270 1.00 0.00 O ATOM 1215 CB LEU A 84 144.106 6.394 -3.222 1.00 0.00 C ATOM 1216 CG LEU A 84 142.898 6.721 -2.344 1.00 0.00 C ATOM 1217 CD1 LEU A 84 142.905 5.865 -1.087 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.884 8.199 -1.986 1.00 0.00 C ATOM 0 H LEU A 84 145.809 5.708 -4.857 1.00 0.00 H new ATOM 0 HA LEU A 84 144.048 4.245 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 84 145.000 6.399 -2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.226 7.189 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 84 141.992 6.496 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.038 6.111 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 84 142.866 4.812 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 84 143.816 6.058 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 84 142.017 8.414 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.795 8.450 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.830 8.794 -2.898 1.00 0.00 H new ATOM 1230 N LYS A 85 142.744 5.505 -5.963 1.00 0.00 N ATOM 1231 CA LYS A 85 141.565 5.484 -6.822 1.00 0.00 C ATOM 1232 C LYS A 85 141.184 4.054 -7.191 1.00 0.00 C ATOM 1233 O LYS A 85 140.025 3.767 -7.489 1.00 0.00 O ATOM 1234 CB LYS A 85 141.818 6.301 -8.091 1.00 0.00 C ATOM 1235 CG LYS A 85 143.122 5.950 -8.790 1.00 0.00 C ATOM 1236 CD LYS A 85 144.216 6.955 -8.467 1.00 0.00 C ATOM 1237 CE LYS A 85 145.058 7.276 -9.693 1.00 0.00 C ATOM 1238 NZ LYS A 85 144.401 8.286 -10.568 1.00 0.00 N ATOM 0 H LYS A 85 143.558 5.963 -6.374 1.00 0.00 H new ATOM 0 HA LYS A 85 140.737 5.929 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 85 140.991 6.146 -8.784 1.00 0.00 H new ATOM 0 HB3 LYS A 85 141.826 7.361 -7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 85 143.442 4.953 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 85 142.961 5.919 -9.868 1.00 0.00 H new ATOM 0 HD2 LYS A 85 143.768 7.871 -8.082 1.00 0.00 H new ATOM 0 HD3 LYS A 85 144.856 6.557 -7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 85 146.032 7.648 -9.377 1.00 0.00 H new ATOM 0 HE3 LYS A 85 145.235 6.363 -10.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 145.006 8.477 -11.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 143.482 7.921 -10.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 144.255 9.166 -10.033 1.00 0.00 H new ATOM 1252 N SER A 86 142.166 3.157 -7.170 1.00 0.00 N ATOM 1253 CA SER A 86 141.931 1.758 -7.502 1.00 0.00 C ATOM 1254 C SER A 86 141.941 0.892 -6.246 1.00 0.00 C ATOM 1255 O SER A 86 142.372 -0.260 -6.278 1.00 0.00 O ATOM 1256 CB SER A 86 142.990 1.260 -8.487 1.00 0.00 C ATOM 1257 OG SER A 86 143.426 2.305 -9.340 1.00 0.00 O ATOM 0 H SER A 86 143.132 3.376 -6.926 1.00 0.00 H new ATOM 0 HA SER A 86 140.948 1.681 -7.967 1.00 0.00 H new ATOM 0 HB2 SER A 86 143.840 0.856 -7.938 1.00 0.00 H new ATOM 0 HB3 SER A 86 142.581 0.446 -9.085 1.00 0.00 H new ATOM 0 HG SER A 86 144.104 1.961 -9.959 1.00 0.00 H new ATOM 1263 N CYS A 87 141.463 1.457 -5.142 1.00 0.00 N ATOM 1264 CA CYS A 87 141.416 0.736 -3.874 1.00 0.00 C ATOM 1265 C CYS A 87 139.976 0.507 -3.430 1.00 0.00 C ATOM 1266 O CYS A 87 139.114 1.366 -3.614 1.00 0.00 O ATOM 1267 CB CYS A 87 142.176 1.512 -2.796 1.00 0.00 C ATOM 1268 SG CYS A 87 143.976 1.402 -2.937 1.00 0.00 S ATOM 0 H CYS A 87 141.103 2.410 -5.099 1.00 0.00 H new ATOM 0 HA CYS A 87 141.890 -0.235 -4.019 1.00 0.00 H new ATOM 0 HB2 CYS A 87 141.882 2.561 -2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 87 141.876 1.140 -1.816 1.00 0.00 H new ATOM 0 HG CYS A 87 144.357 1.937 -4.059 1.00 0.00 H new ATOM 1274 N ARG A 88 139.723 -0.658 -2.843 1.00 0.00 N ATOM 1275 CA ARG A 88 138.386 -1.003 -2.371 1.00 0.00 C ATOM 1276 C ARG A 88 138.324 -0.963 -0.845 1.00 0.00 C ATOM 1277 O ARG A 88 139.294 -1.303 -0.169 1.00 0.00 O ATOM 1278 CB ARG A 88 137.987 -2.392 -2.876 1.00 0.00 C ATOM 1279 CG ARG A 88 137.161 -2.359 -4.153 1.00 0.00 C ATOM 1280 CD ARG A 88 135.687 -2.609 -3.873 1.00 0.00 C ATOM 1281 NE ARG A 88 134.830 -1.636 -4.546 1.00 0.00 N ATOM 1282 CZ ARG A 88 134.636 -1.603 -5.863 1.00 0.00 C ATOM 1283 NH1 ARG A 88 135.235 -2.487 -6.651 1.00 0.00 N ATOM 1284 NH2 ARG A 88 133.840 -0.685 -6.393 1.00 0.00 N ATOM 0 H ARG A 88 140.426 -1.380 -2.683 1.00 0.00 H new ATOM 0 HA ARG A 88 137.685 -0.268 -2.765 1.00 0.00 H new ATOM 0 HB2 ARG A 88 138.889 -2.979 -3.051 1.00 0.00 H new ATOM 0 HB3 ARG A 88 137.419 -2.903 -2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 88 137.280 -1.391 -4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 88 137.533 -3.113 -4.847 1.00 0.00 H new ATOM 0 HD2 ARG A 88 135.421 -3.614 -4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.510 -2.566 -2.798 1.00 0.00 H new ATOM 0 HE ARG A 88 134.352 -0.941 -3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 88 135.848 -3.196 -6.248 1.00 0.00 H new ATOM 0 HH12 ARG A 88 135.083 -2.457 -7.659 1.00 0.00 H new ATOM 0 HH21 ARG A 88 133.376 -0.004 -5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 88 133.691 -0.660 -7.402 1.00 0.00 H new ATOM 1298 N PRO A 89 137.177 -0.547 -0.281 1.00 0.00 N ATOM 1299 CA PRO A 89 136.999 -0.468 1.169 1.00 0.00 C ATOM 1300 C PRO A 89 136.896 -1.846 1.815 1.00 0.00 C ATOM 1301 O PRO A 89 135.910 -2.558 1.627 1.00 0.00 O ATOM 1302 CB PRO A 89 135.687 0.298 1.331 1.00 0.00 C ATOM 1303 CG PRO A 89 134.940 0.078 0.064 1.00 0.00 C ATOM 1304 CD PRO A 89 135.968 -0.126 -1.013 1.00 0.00 C ATOM 0 HA PRO A 89 137.847 0.013 1.656 1.00 0.00 H new ATOM 0 HB2 PRO A 89 135.122 -0.068 2.188 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.870 1.359 1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.287 -0.791 0.145 1.00 0.00 H new ATOM 0 HG3 PRO A 89 134.305 0.934 -0.164 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.651 -0.885 -1.728 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.142 0.791 -1.577 1.00 0.00 H new ATOM 1312 N ASP A 90 137.923 -2.215 2.574 1.00 0.00 N ATOM 1313 CA ASP A 90 137.949 -3.506 3.249 1.00 0.00 C ATOM 1314 C ASP A 90 136.957 -3.538 4.406 1.00 0.00 C ATOM 1315 O ASP A 90 136.914 -2.621 5.226 1.00 0.00 O ATOM 1316 CB ASP A 90 139.359 -3.807 3.763 1.00 0.00 C ATOM 1317 CG ASP A 90 139.628 -5.294 3.883 1.00 0.00 C ATOM 1318 OD1 ASP A 90 138.859 -6.086 3.298 1.00 0.00 O ATOM 1319 OD2 ASP A 90 140.606 -5.667 4.563 1.00 0.00 O ATOM 0 H ASP A 90 138.748 -1.637 2.736 1.00 0.00 H new ATOM 0 HA ASP A 90 137.660 -4.270 2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.091 -3.362 3.089 1.00 0.00 H new ATOM 0 HB3 ASP A 90 139.495 -3.337 4.737 1.00 0.00 H new ATOM 1324 N SER A 91 136.160 -4.600 4.465 1.00 0.00 N ATOM 1325 CA SER A 91 135.168 -4.753 5.523 1.00 0.00 C ATOM 1326 C SER A 91 135.540 -5.899 6.458 1.00 0.00 C ATOM 1327 O SER A 91 134.669 -6.551 7.033 1.00 0.00 O ATOM 1328 CB SER A 91 133.784 -5.001 4.920 1.00 0.00 C ATOM 1329 OG SER A 91 132.762 -4.490 5.758 1.00 0.00 O ATOM 0 H SER A 91 136.182 -5.367 3.793 1.00 0.00 H new ATOM 0 HA SER A 91 135.146 -3.829 6.102 1.00 0.00 H new ATOM 0 HB2 SER A 91 133.722 -4.531 3.938 1.00 0.00 H new ATOM 0 HB3 SER A 91 133.635 -6.071 4.771 1.00 0.00 H new ATOM 0 HG SER A 91 132.264 -5.234 6.157 1.00 0.00 H new ATOM 1335 N ARG A 92 136.839 -6.140 6.603 1.00 0.00 N ATOM 1336 CA ARG A 92 137.327 -7.208 7.467 1.00 0.00 C ATOM 1337 C ARG A 92 136.932 -6.957 8.918 1.00 0.00 C ATOM 1338 O ARG A 92 136.465 -7.862 9.610 1.00 0.00 O ATOM 1339 CB ARG A 92 138.848 -7.331 7.353 1.00 0.00 C ATOM 1340 CG ARG A 92 139.304 -8.143 6.151 1.00 0.00 C ATOM 1341 CD ARG A 92 140.560 -8.939 6.463 1.00 0.00 C ATOM 1342 NE ARG A 92 140.258 -10.191 7.152 1.00 0.00 N ATOM 1343 CZ ARG A 92 141.185 -10.991 7.674 1.00 0.00 C ATOM 1344 NH1 ARG A 92 142.471 -10.675 7.587 1.00 0.00 N ATOM 1345 NH2 ARG A 92 140.824 -12.112 8.285 1.00 0.00 N ATOM 0 H ARG A 92 137.573 -5.610 6.133 1.00 0.00 H new ATOM 0 HA ARG A 92 136.869 -8.142 7.142 1.00 0.00 H new ATOM 0 HB2 ARG A 92 139.281 -6.333 7.292 1.00 0.00 H new ATOM 0 HB3 ARG A 92 139.236 -7.792 8.261 1.00 0.00 H new ATOM 0 HG2 ARG A 92 138.508 -8.822 5.846 1.00 0.00 H new ATOM 0 HG3 ARG A 92 139.494 -7.476 5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 92 141.092 -9.154 5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 92 141.227 -8.337 7.081 1.00 0.00 H new ATOM 0 HE ARG A 92 139.280 -10.468 7.238 1.00 0.00 H new ATOM 0 HH11 ARG A 92 142.754 -9.815 7.118 1.00 0.00 H new ATOM 0 HH12 ARG A 92 143.176 -11.292 7.989 1.00 0.00 H new ATOM 0 HH21 ARG A 92 139.837 -12.360 8.354 1.00 0.00 H new ATOM 0 HH22 ARG A 92 141.533 -12.726 8.685 1.00 0.00 H new ATOM 1359 N PHE A 93 137.123 -5.724 9.374 1.00 0.00 N ATOM 1360 CA PHE A 93 136.787 -5.354 10.744 1.00 0.00 C ATOM 1361 C PHE A 93 135.505 -4.527 10.791 1.00 0.00 C ATOM 1362 O PHE A 93 135.283 -3.763 11.731 1.00 0.00 O ATOM 1363 CB PHE A 93 137.936 -4.569 11.379 1.00 0.00 C ATOM 1364 CG PHE A 93 139.158 -5.402 11.646 1.00 0.00 C ATOM 1365 CD1 PHE A 93 139.819 -6.038 10.607 1.00 0.00 C ATOM 1366 CD2 PHE A 93 139.645 -5.547 12.934 1.00 0.00 C ATOM 1367 CE1 PHE A 93 140.943 -6.805 10.849 1.00 0.00 C ATOM 1368 CE2 PHE A 93 140.769 -6.312 13.183 1.00 0.00 C ATOM 1369 CZ PHE A 93 141.418 -6.941 12.139 1.00 0.00 C ATOM 0 H PHE A 93 137.509 -4.963 8.815 1.00 0.00 H new ATOM 0 HA PHE A 93 136.625 -6.272 11.309 1.00 0.00 H new ATOM 0 HB2 PHE A 93 138.207 -3.742 10.722 1.00 0.00 H new ATOM 0 HB3 PHE A 93 137.592 -4.132 12.317 1.00 0.00 H new ATOM 0 HD1 PHE A 93 139.452 -5.933 9.597 1.00 0.00 H new ATOM 0 HD2 PHE A 93 139.141 -5.057 13.754 1.00 0.00 H new ATOM 0 HE1 PHE A 93 141.449 -7.297 10.031 1.00 0.00 H new ATOM 0 HE2 PHE A 93 141.139 -6.418 14.192 1.00 0.00 H new ATOM 0 HZ PHE A 93 142.297 -7.539 12.331 1.00 0.00 H new ATOM 1379 N ALA A 94 134.664 -4.683 9.773 1.00 0.00 N ATOM 1380 CA ALA A 94 133.406 -3.949 9.703 1.00 0.00 C ATOM 1381 C ALA A 94 132.231 -4.835 10.103 1.00 0.00 C ATOM 1382 O ALA A 94 132.011 -5.894 9.515 1.00 0.00 O ATOM 1383 CB ALA A 94 133.200 -3.391 8.302 1.00 0.00 C ATOM 0 H ALA A 94 134.831 -5.310 8.986 1.00 0.00 H new ATOM 0 HA ALA A 94 133.456 -3.119 10.408 1.00 0.00 H new ATOM 0 HB1 ALA A 94 132.257 -2.845 8.263 1.00 0.00 H new ATOM 0 HB2 ALA A 94 134.020 -2.717 8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 94 133.175 -4.211 7.584 1.00 0.00 H new ATOM 1389 N SER A 95 131.480 -4.395 11.106 1.00 0.00 N ATOM 1390 CA SER A 95 130.327 -5.148 11.585 1.00 0.00 C ATOM 1391 C SER A 95 129.146 -4.997 10.631 1.00 0.00 C ATOM 1392 O SER A 95 129.018 -3.986 9.941 1.00 0.00 O ATOM 1393 CB SER A 95 129.930 -4.679 12.986 1.00 0.00 C ATOM 1394 OG SER A 95 130.871 -5.109 13.953 1.00 0.00 O ATOM 0 H SER A 95 131.649 -3.521 11.603 1.00 0.00 H new ATOM 0 HA SER A 95 130.604 -6.201 11.628 1.00 0.00 H new ATOM 0 HB2 SER A 95 129.858 -3.591 13.002 1.00 0.00 H new ATOM 0 HB3 SER A 95 128.943 -5.067 13.237 1.00 0.00 H new ATOM 0 HG SER A 95 130.596 -4.795 14.840 1.00 0.00 H new ATOM 1400 N LEU A 96 128.285 -6.009 10.599 1.00 0.00 N ATOM 1401 CA LEU A 96 127.113 -5.988 9.731 1.00 0.00 C ATOM 1402 C LEU A 96 125.874 -5.541 10.499 1.00 0.00 C ATOM 1403 O LEU A 96 124.778 -6.061 10.288 1.00 0.00 O ATOM 1404 CB LEU A 96 126.879 -7.371 9.121 1.00 0.00 C ATOM 1405 CG LEU A 96 126.293 -7.366 7.708 1.00 0.00 C ATOM 1406 CD1 LEU A 96 126.771 -8.580 6.928 1.00 0.00 C ATOM 1407 CD2 LEU A 96 124.773 -7.329 7.763 1.00 0.00 C ATOM 0 H LEU A 96 128.377 -6.853 11.164 1.00 0.00 H new ATOM 0 HA LEU A 96 127.298 -5.272 8.930 1.00 0.00 H new ATOM 0 HB2 LEU A 96 127.827 -7.908 9.102 1.00 0.00 H new ATOM 0 HB3 LEU A 96 126.209 -7.930 9.774 1.00 0.00 H new ATOM 0 HG LEU A 96 126.640 -6.470 7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 96 126.344 -8.560 5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 96 127.859 -8.563 6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 96 126.454 -9.489 7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 96 124.372 -7.326 6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 96 124.407 -8.207 8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 96 124.450 -6.428 8.284 1.00 0.00 H new ATOM 1419 N GLN A 97 126.055 -4.571 11.390 1.00 0.00 N ATOM 1420 CA GLN A 97 124.950 -4.053 12.189 1.00 0.00 C ATOM 1421 C GLN A 97 125.030 -2.532 12.306 1.00 0.00 C ATOM 1422 O GLN A 97 125.704 -2.005 13.192 1.00 0.00 O ATOM 1423 CB GLN A 97 124.963 -4.683 13.583 1.00 0.00 C ATOM 1424 CG GLN A 97 124.766 -6.190 13.571 1.00 0.00 C ATOM 1425 CD GLN A 97 125.082 -6.830 14.909 1.00 0.00 C ATOM 1426 OE1 GLN A 97 124.623 -6.370 15.954 1.00 0.00 O ATOM 1427 NE2 GLN A 97 125.870 -7.898 14.882 1.00 0.00 N ATOM 0 H GLN A 97 126.955 -4.129 11.577 1.00 0.00 H new ATOM 0 HA GLN A 97 124.018 -4.314 11.688 1.00 0.00 H new ATOM 0 HB2 GLN A 97 125.912 -4.453 14.068 1.00 0.00 H new ATOM 0 HB3 GLN A 97 124.178 -4.227 14.186 1.00 0.00 H new ATOM 0 HG2 GLN A 97 123.735 -6.416 13.299 1.00 0.00 H new ATOM 0 HG3 GLN A 97 125.402 -6.630 12.803 1.00 0.00 H new ATOM 0 HE21 GLN A 97 126.228 -8.245 13.992 1.00 0.00 H new ATOM 0 HE22 GLN A 97 126.117 -8.371 15.751 1.00 0.00 H new ATOM 1436 N PRO A 98 124.340 -1.804 11.411 1.00 0.00 N ATOM 1437 CA PRO A 98 124.338 -0.339 11.421 1.00 0.00 C ATOM 1438 C PRO A 98 123.503 0.233 12.562 1.00 0.00 C ATOM 1439 O PRO A 98 122.523 -0.378 12.993 1.00 0.00 O ATOM 1440 CB PRO A 98 123.717 0.020 10.071 1.00 0.00 C ATOM 1441 CG PRO A 98 122.837 -1.136 9.742 1.00 0.00 C ATOM 1442 CD PRO A 98 123.510 -2.352 10.321 1.00 0.00 C ATOM 0 HA PRO A 98 125.337 0.070 11.570 1.00 0.00 H new ATOM 0 HB2 PRO A 98 123.147 0.947 10.131 1.00 0.00 H new ATOM 0 HB3 PRO A 98 124.482 0.165 9.309 1.00 0.00 H new ATOM 0 HG2 PRO A 98 121.842 -1.002 10.167 1.00 0.00 H new ATOM 0 HG3 PRO A 98 122.712 -1.236 8.664 1.00 0.00 H new ATOM 0 HD2 PRO A 98 122.783 -3.073 10.695 1.00 0.00 H new ATOM 0 HD3 PRO A 98 124.116 -2.868 9.576 1.00 0.00 H new ATOM 1450 N SER A 99 123.896 1.405 13.048 1.00 0.00 N ATOM 1451 CA SER A 99 123.183 2.058 14.139 1.00 0.00 C ATOM 1452 C SER A 99 121.936 2.769 13.625 1.00 0.00 C ATOM 1453 O SER A 99 121.949 3.978 13.392 1.00 0.00 O ATOM 1454 CB SER A 99 124.099 3.058 14.847 1.00 0.00 C ATOM 1455 OG SER A 99 123.376 3.838 15.784 1.00 0.00 O ATOM 0 H SER A 99 124.705 1.922 12.703 1.00 0.00 H new ATOM 0 HA SER A 99 122.875 1.291 14.850 1.00 0.00 H new ATOM 0 HB2 SER A 99 124.901 2.524 15.356 1.00 0.00 H new ATOM 0 HB3 SER A 99 124.568 3.711 14.111 1.00 0.00 H new ATOM 0 HG SER A 99 123.984 4.468 16.224 1.00 0.00 H new ATOM 1461 N GLY A 100 120.858 2.011 13.452 1.00 0.00 N ATOM 1462 CA GLY A 100 119.617 2.585 12.966 1.00 0.00 C ATOM 1463 C GLY A 100 118.641 2.890 14.088 1.00 0.00 C ATOM 1464 O GLY A 100 118.712 2.283 15.156 1.00 0.00 O ATOM 0 H GLY A 100 120.822 1.009 13.640 1.00 0.00 H new ATOM 0 HA2 GLY A 100 119.834 3.502 12.418 1.00 0.00 H new ATOM 0 HA3 GLY A 100 119.152 1.895 12.262 1.00 0.00 H new ATOM 1468 N PRO A 101 117.710 3.837 13.874 1.00 0.00 N ATOM 1469 CA PRO A 101 116.718 4.211 14.886 1.00 0.00 C ATOM 1470 C PRO A 101 115.686 3.114 15.120 1.00 0.00 C ATOM 1471 O PRO A 101 115.170 2.959 16.227 1.00 0.00 O ATOM 1472 CB PRO A 101 116.052 5.453 14.289 1.00 0.00 C ATOM 1473 CG PRO A 101 116.233 5.309 12.818 1.00 0.00 C ATOM 1474 CD PRO A 101 117.552 4.612 12.629 1.00 0.00 C ATOM 0 HA PRO A 101 117.176 4.383 15.860 1.00 0.00 H new ATOM 0 HB2 PRO A 101 114.996 5.503 14.555 1.00 0.00 H new ATOM 0 HB3 PRO A 101 116.517 6.367 14.658 1.00 0.00 H new ATOM 0 HG2 PRO A 101 115.420 4.731 12.380 1.00 0.00 H new ATOM 0 HG3 PRO A 101 116.232 6.282 12.328 1.00 0.00 H new ATOM 0 HD2 PRO A 101 117.543 3.965 11.752 1.00 0.00 H new ATOM 0 HD3 PRO A 101 118.367 5.323 12.492 1.00 0.00 H new ATOM 1482 N SER A 102 115.391 2.353 14.071 1.00 0.00 N ATOM 1483 CA SER A 102 114.422 1.268 14.162 1.00 0.00 C ATOM 1484 C SER A 102 115.026 -0.046 13.678 1.00 0.00 C ATOM 1485 O SER A 102 115.981 -0.051 12.900 1.00 0.00 O ATOM 1486 CB SER A 102 113.174 1.602 13.342 1.00 0.00 C ATOM 1487 OG SER A 102 113.518 1.991 12.024 1.00 0.00 O ATOM 0 H SER A 102 115.810 2.468 13.148 1.00 0.00 H new ATOM 0 HA SER A 102 114.142 1.152 15.209 1.00 0.00 H new ATOM 0 HB2 SER A 102 112.515 0.735 13.308 1.00 0.00 H new ATOM 0 HB3 SER A 102 112.620 2.405 13.828 1.00 0.00 H new ATOM 0 HG SER A 102 112.703 2.197 11.521 1.00 0.00 H new ATOM 1493 N SER A 103 114.464 -1.158 14.141 1.00 0.00 N ATOM 1494 CA SER A 103 114.948 -2.477 13.755 1.00 0.00 C ATOM 1495 C SER A 103 113.793 -3.377 13.328 1.00 0.00 C ATOM 1496 O SER A 103 113.006 -3.830 14.160 1.00 0.00 O ATOM 1497 CB SER A 103 115.712 -3.123 14.912 1.00 0.00 C ATOM 1498 OG SER A 103 116.827 -3.859 14.441 1.00 0.00 O ATOM 0 H SER A 103 113.673 -1.171 14.784 1.00 0.00 H new ATOM 0 HA SER A 103 115.622 -2.355 12.907 1.00 0.00 H new ATOM 0 HB2 SER A 103 116.048 -2.352 15.605 1.00 0.00 H new ATOM 0 HB3 SER A 103 115.046 -3.783 15.468 1.00 0.00 H new ATOM 0 HG SER A 103 117.299 -4.260 15.201 1.00 0.00 H new ATOM 1504 N GLY A 104 113.698 -3.632 12.027 1.00 0.00 N ATOM 1505 CA GLY A 104 112.636 -4.477 11.513 1.00 0.00 C ATOM 1506 C GLY A 104 113.033 -5.939 11.455 1.00 0.00 C ATOM 1507 O GLY A 104 114.116 -6.238 10.910 1.00 0.00 O ATOM 1508 OXT GLY A 104 112.263 -6.784 11.956 1.00 0.00 O ATOM 0 H GLY A 104 114.337 -3.269 11.320 1.00 0.00 H new ATOM 0 HA2 GLY A 104 111.753 -4.368 12.143 1.00 0.00 H new ATOM 0 HA3 GLY A 104 112.359 -4.139 10.514 1.00 0.00 H new TER 1512 GLY A 104