USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 609 hydrogens (15 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 NoAdj-H: A 370 M2L HNA : A 370 M2L N : A 369 LEU C :(H bumps) USER MOD Set 1.1: A 365 HIS : no HD1:sc= 0.491 K(o=1.3,f=-2.4) USER MOD Set 1.2: A 366 SER OG : rot 65:sc= 0.844 USER MOD Set 2.1: A 98 SER OG : rot 180:sc= 0.246 USER MOD Set 2.2: A 126 GLN : amide:sc= 0.238 K(o=0.48,f=-2.1!) USER MOD Set 3.1: A 116 TYR OH : rot 15:sc= 0.57 USER MOD Set 3.2: A 141 ASN : amide:sc= 1.4 K(o=2,f=-11!) USER MOD Set 4.1: A 111 ASN : amide:sc= 0.618 X(o=0.94,f=0.72) USER MOD Set 4.2: A 115 THR OG1 : rot 162:sc= 0.326 USER MOD Single : A 84 SER OG : rot 31:sc= 0.0661 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 1.05 K(o=1.1,f=-0.0066) USER MOD Single : A 90 ASN : amide:sc= -0.0109 K(o=-0.011,f=-0.64) USER MOD Single : A 92 GLN : amide:sc= 0.336 K(o=0.34,f=-3.1!) USER MOD Single : A 96 SER OG : rot 53:sc= 0.0376 USER MOD Single : A 100 SER OG : rot -59:sc= 1.03 USER MOD Single : A 103 TYR OH : rot 4:sc= 1.15 USER MOD Single : A 106 LYS NZ :NH3+ 155:sc= 1.08 (180deg=0.653) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.067 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 30:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0.797 K(o=0.8,f=-4.9!) USER MOD Single : A 134 LYS NZ :NH3+ 169:sc= 1.06 (180deg=0.956) USER MOD Single : A 137 SER OG : rot 83:sc= 0.732 USER MOD Single : A 138 LYS NZ :NH3+ 175:sc= 0.811 (180deg=0.793) USER MOD Single : A 140 GLN : amide:sc= 1.18 K(o=1.2,f=-0.00023) USER MOD Single : A 145 ASN : amide:sc= 0.661 K(o=0.66,f=-3.4!) USER MOD Single : A 201 SER OG : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot -175:sc= 0.19 USER MOD Single : A 368 HIS : no HD1:sc= 0.00658 X(o=0.0066,f=-0.18) USER MOD Single : A 371 SER OG : rot 180:sc= 0.0487 USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 373 LYS NZ :NH3+ -160:sc= 0.947 (180deg=0.679) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 84 1.803 0.738 2.268 1.00 0.00 N ATOM 2 CA SER A 84 2.546 0.922 0.997 1.00 0.00 C ATOM 3 C SER A 84 1.571 1.047 -0.185 1.00 0.00 C ATOM 4 O SER A 84 0.602 0.283 -0.276 1.00 0.00 O ATOM 5 CB SER A 84 3.551 -0.222 0.772 1.00 0.00 C ATOM 6 OG SER A 84 4.456 -0.341 1.868 1.00 0.00 O ATOM 0 HA SER A 84 3.115 1.849 1.066 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.013 -1.160 0.639 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.110 -0.042 -0.146 1.00 0.00 H new ATOM 0 HG SER A 84 4.010 -0.057 2.693 1.00 0.00 H new ATOM 12 N SER A 85 1.822 1.998 -1.093 1.00 0.00 N ATOM 13 CA SER A 85 0.970 2.293 -2.246 1.00 0.00 C ATOM 14 C SER A 85 1.847 2.667 -3.442 1.00 0.00 C ATOM 15 O SER A 85 2.990 3.106 -3.267 1.00 0.00 O ATOM 16 CB SER A 85 0.014 3.448 -1.902 1.00 0.00 C ATOM 17 OG SER A 85 -0.702 3.219 -0.690 1.00 0.00 O ATOM 0 H SER A 85 2.645 2.598 -1.043 1.00 0.00 H new ATOM 0 HA SER A 85 0.378 1.414 -2.500 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.583 4.373 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.694 3.585 -2.719 1.00 0.00 H new ATOM 0 HG SER A 85 -1.295 3.979 -0.512 1.00 0.00 H new ATOM 23 N GLU A 86 1.322 2.476 -4.652 1.00 0.00 N ATOM 24 CA GLU A 86 2.038 2.686 -5.909 1.00 0.00 C ATOM 25 C GLU A 86 1.122 3.291 -6.996 1.00 0.00 C ATOM 26 O GLU A 86 1.594 3.650 -8.078 1.00 0.00 O ATOM 27 CB GLU A 86 2.673 1.349 -6.332 1.00 0.00 C ATOM 28 CG GLU A 86 3.893 1.549 -7.231 1.00 0.00 C ATOM 29 CD GLU A 86 4.556 0.205 -7.586 1.00 0.00 C ATOM 30 OE1 GLU A 86 5.436 -0.263 -6.822 1.00 0.00 O ATOM 31 OE2 GLU A 86 4.204 -0.392 -8.632 1.00 0.00 O ATOM 0 H GLU A 86 0.361 2.162 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 86 2.831 3.420 -5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.966 0.791 -5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.932 0.746 -6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.593 2.061 -8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.616 2.191 -6.728 1.00 0.00 H new ATOM 38 N PHE A 87 -0.167 3.471 -6.690 1.00 0.00 N ATOM 39 CA PHE A 87 -1.179 4.172 -7.481 1.00 0.00 C ATOM 40 C PHE A 87 -1.255 3.701 -8.941 1.00 0.00 C ATOM 41 O PHE A 87 -1.394 4.512 -9.860 1.00 0.00 O ATOM 42 CB PHE A 87 -1.012 5.690 -7.285 1.00 0.00 C ATOM 43 CG PHE A 87 -0.757 6.077 -5.834 1.00 0.00 C ATOM 44 CD1 PHE A 87 -1.796 6.007 -4.886 1.00 0.00 C ATOM 45 CD2 PHE A 87 0.525 6.495 -5.427 1.00 0.00 C ATOM 46 CE1 PHE A 87 -1.558 6.367 -3.547 1.00 0.00 C ATOM 47 CE2 PHE A 87 0.761 6.851 -4.086 1.00 0.00 C ATOM 48 CZ PHE A 87 -0.284 6.804 -3.149 1.00 0.00 C ATOM 0 H PHE A 87 -0.556 3.104 -5.821 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.169 3.908 -7.108 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.184 6.041 -7.900 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.909 6.198 -7.639 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.779 5.676 -5.188 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.329 6.542 -6.146 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.357 6.307 -2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.748 7.161 -3.777 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.109 7.103 -2.126 1.00 0.00 H new ATOM 58 N GLN A 88 -1.130 2.385 -9.152 1.00 0.00 N ATOM 59 CA GLN A 88 -1.139 1.760 -10.467 1.00 0.00 C ATOM 60 C GLN A 88 -2.575 1.522 -10.980 1.00 0.00 C ATOM 61 O GLN A 88 -3.551 1.947 -10.364 1.00 0.00 O ATOM 62 CB GLN A 88 -0.342 0.439 -10.407 1.00 0.00 C ATOM 63 CG GLN A 88 1.127 0.598 -9.976 1.00 0.00 C ATOM 64 CD GLN A 88 1.946 1.418 -10.972 1.00 0.00 C ATOM 65 OE1 GLN A 88 2.183 0.999 -12.103 1.00 0.00 O ATOM 66 NE2 GLN A 88 2.399 2.601 -10.590 1.00 0.00 N ATOM 0 H GLN A 88 -1.018 1.715 -8.391 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.664 2.436 -11.177 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.839 -0.239 -9.714 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.370 -0.032 -11.389 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.165 1.078 -8.998 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.578 -0.388 -9.865 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.200 2.944 -9.650 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.948 3.170 -11.235 1.00 0.00 H new ATOM 75 N ILE A 89 -2.717 0.843 -12.128 1.00 0.00 N ATOM 76 CA ILE A 89 -4.024 0.406 -12.630 1.00 0.00 C ATOM 77 C ILE A 89 -4.744 -0.395 -11.536 1.00 0.00 C ATOM 78 O ILE A 89 -4.116 -1.142 -10.783 1.00 0.00 O ATOM 79 CB ILE A 89 -3.890 -0.365 -13.969 1.00 0.00 C ATOM 80 CG1 ILE A 89 -3.262 0.565 -15.041 1.00 0.00 C ATOM 81 CG2 ILE A 89 -5.253 -0.901 -14.453 1.00 0.00 C ATOM 82 CD1 ILE A 89 -3.068 -0.067 -16.424 1.00 0.00 C ATOM 0 H ILE A 89 -1.935 0.584 -12.729 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.638 1.276 -12.861 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.241 -1.225 -13.807 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.894 1.447 -15.148 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.294 0.909 -14.678 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.121 -1.436 -15.394 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.664 -1.579 -13.705 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.939 -0.068 -14.603 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.624 0.664 -17.099 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.409 -0.931 -16.340 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.034 -0.384 -16.818 1.00 0.00 H new ATOM 94 N ASN A 90 -6.071 -0.229 -11.472 1.00 0.00 N ATOM 95 CA ASN A 90 -6.997 -0.779 -10.482 1.00 0.00 C ATOM 96 C ASN A 90 -6.771 -0.257 -9.057 1.00 0.00 C ATOM 97 O ASN A 90 -7.537 -0.624 -8.166 1.00 0.00 O ATOM 98 CB ASN A 90 -7.098 -2.322 -10.552 1.00 0.00 C ATOM 99 CG ASN A 90 -7.817 -2.812 -11.808 1.00 0.00 C ATOM 100 OD1 ASN A 90 -8.875 -2.305 -12.169 1.00 0.00 O ATOM 101 ND2 ASN A 90 -7.269 -3.799 -12.501 1.00 0.00 N ATOM 0 H ASN A 90 -6.560 0.337 -12.166 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.977 -0.394 -10.765 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -6.095 -2.749 -10.523 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -7.626 -2.687 -9.671 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -7.727 -4.145 -13.344 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.390 -4.213 -12.191 1.00 0.00 H new ATOM 108 N GLU A 91 -5.793 0.616 -8.820 1.00 0.00 N ATOM 109 CA GLU A 91 -5.503 1.189 -7.510 1.00 0.00 C ATOM 110 C GLU A 91 -6.198 2.556 -7.385 1.00 0.00 C ATOM 111 O GLU A 91 -6.771 3.068 -8.350 1.00 0.00 O ATOM 112 CB GLU A 91 -3.977 1.277 -7.362 1.00 0.00 C ATOM 113 CG GLU A 91 -3.480 1.384 -5.915 1.00 0.00 C ATOM 114 CD GLU A 91 -1.953 1.220 -5.784 1.00 0.00 C ATOM 115 OE1 GLU A 91 -1.296 0.652 -6.688 1.00 0.00 O ATOM 116 OE2 GLU A 91 -1.395 1.678 -4.759 1.00 0.00 O ATOM 0 H GLU A 91 -5.167 0.951 -9.552 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.888 0.568 -6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.529 0.396 -7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.621 2.143 -7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.771 2.352 -5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.974 0.623 -5.311 1.00 0.00 H new ATOM 123 N GLN A 92 -6.169 3.140 -6.188 1.00 0.00 N ATOM 124 CA GLN A 92 -6.740 4.449 -5.888 1.00 0.00 C ATOM 125 C GLN A 92 -5.934 5.565 -6.564 1.00 0.00 C ATOM 126 O GLN A 92 -4.708 5.481 -6.665 1.00 0.00 O ATOM 127 CB GLN A 92 -6.725 4.704 -4.367 1.00 0.00 C ATOM 128 CG GLN A 92 -7.713 3.853 -3.552 1.00 0.00 C ATOM 129 CD GLN A 92 -7.322 2.378 -3.361 1.00 0.00 C ATOM 130 OE1 GLN A 92 -6.180 1.970 -3.565 1.00 0.00 O ATOM 131 NE2 GLN A 92 -8.268 1.538 -2.965 1.00 0.00 N ATOM 0 H GLN A 92 -5.734 2.701 -5.377 1.00 0.00 H new ATOM 0 HA GLN A 92 -7.763 4.453 -6.263 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.718 4.520 -3.994 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.944 5.757 -4.189 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.832 4.309 -2.569 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.687 3.891 -4.041 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.215 1.879 -2.796 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.049 0.551 -2.829 1.00 0.00 H new ATOM 140 N VAL A 93 -6.620 6.650 -6.923 1.00 0.00 N ATOM 141 CA VAL A 93 -6.080 7.923 -7.389 1.00 0.00 C ATOM 142 C VAL A 93 -7.039 9.046 -6.982 1.00 0.00 C ATOM 143 O VAL A 93 -8.146 8.794 -6.502 1.00 0.00 O ATOM 144 CB VAL A 93 -5.855 7.938 -8.922 1.00 0.00 C ATOM 145 CG1 VAL A 93 -4.501 7.319 -9.287 1.00 0.00 C ATOM 146 CG2 VAL A 93 -7.013 7.321 -9.724 1.00 0.00 C ATOM 0 H VAL A 93 -7.639 6.661 -6.893 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.105 8.072 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.836 8.987 -9.218 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.370 7.343 -10.369 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.701 7.887 -8.812 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.468 6.286 -8.940 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.784 7.367 -10.789 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.148 6.281 -9.427 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.930 7.877 -9.526 1.00 0.00 H new ATOM 156 N LEU A 94 -6.612 10.291 -7.180 1.00 0.00 N ATOM 157 CA LEU A 94 -7.441 11.477 -7.085 1.00 0.00 C ATOM 158 C LEU A 94 -7.633 11.895 -8.532 1.00 0.00 C ATOM 159 O LEU A 94 -6.651 12.030 -9.262 1.00 0.00 O ATOM 160 CB LEU A 94 -6.719 12.601 -6.326 1.00 0.00 C ATOM 161 CG LEU A 94 -6.705 12.438 -4.800 1.00 0.00 C ATOM 162 CD1 LEU A 94 -5.716 13.442 -4.198 1.00 0.00 C ATOM 163 CD2 LEU A 94 -8.091 12.632 -4.172 1.00 0.00 C ATOM 0 H LEU A 94 -5.643 10.503 -7.419 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.372 11.285 -6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.690 12.658 -6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.194 13.551 -6.572 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.397 11.416 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.701 13.332 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.719 13.254 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.024 14.455 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.022 12.505 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.456 13.634 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.782 11.894 -4.580 1.00 0.00 H new ATOM 175 N ALA A 95 -8.874 12.117 -8.949 1.00 0.00 N ATOM 176 CA ALA A 95 -9.206 12.496 -10.307 1.00 0.00 C ATOM 177 C ALA A 95 -10.236 13.612 -10.257 1.00 0.00 C ATOM 178 O ALA A 95 -11.098 13.617 -9.375 1.00 0.00 O ATOM 179 CB ALA A 95 -9.762 11.281 -11.053 1.00 0.00 C ATOM 0 H ALA A 95 -9.687 12.036 -8.339 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.319 12.847 -10.835 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.012 11.565 -12.075 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.012 10.490 -11.069 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.658 10.922 -10.547 1.00 0.00 H new ATOM 185 N SER A 96 -10.140 14.554 -11.185 1.00 0.00 N ATOM 186 CA SER A 96 -11.064 15.660 -11.299 1.00 0.00 C ATOM 187 C SER A 96 -12.416 15.120 -11.760 1.00 0.00 C ATOM 188 O SER A 96 -12.581 14.751 -12.926 1.00 0.00 O ATOM 189 CB SER A 96 -10.488 16.726 -12.229 1.00 0.00 C ATOM 190 OG SER A 96 -9.408 17.361 -11.564 1.00 0.00 O ATOM 0 H SER A 96 -9.403 14.566 -11.890 1.00 0.00 H new ATOM 0 HA SER A 96 -11.216 16.147 -10.336 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.147 16.273 -13.160 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.254 17.456 -12.491 1.00 0.00 H new ATOM 0 HG SER A 96 -8.775 16.683 -11.246 1.00 0.00 H new ATOM 196 N TRP A 97 -13.354 15.013 -10.818 1.00 0.00 N ATOM 197 CA TRP A 97 -14.712 14.599 -11.117 1.00 0.00 C ATOM 198 C TRP A 97 -15.390 15.691 -11.935 1.00 0.00 C ATOM 199 O TRP A 97 -15.026 16.870 -11.838 1.00 0.00 O ATOM 200 CB TRP A 97 -15.468 14.272 -9.839 1.00 0.00 C ATOM 201 CG TRP A 97 -16.718 13.457 -9.969 1.00 0.00 C ATOM 202 CD1 TRP A 97 -16.938 12.405 -10.791 1.00 0.00 C ATOM 203 CD2 TRP A 97 -17.954 13.621 -9.223 1.00 0.00 C ATOM 204 NE1 TRP A 97 -18.214 11.910 -10.589 1.00 0.00 N ATOM 205 CE2 TRP A 97 -18.874 12.602 -9.595 1.00 0.00 C ATOM 206 CE3 TRP A 97 -18.358 14.522 -8.228 1.00 0.00 C ATOM 207 CZ2 TRP A 97 -20.123 12.463 -8.967 1.00 0.00 C ATOM 208 CZ3 TRP A 97 -19.599 14.397 -7.581 1.00 0.00 C ATOM 209 CH2 TRP A 97 -20.476 13.359 -7.940 1.00 0.00 C ATOM 0 H TRP A 97 -13.188 15.212 -9.831 1.00 0.00 H new ATOM 0 HA TRP A 97 -14.705 13.684 -11.710 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -14.788 13.743 -9.171 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -15.727 15.211 -9.351 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.224 12.011 -11.499 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -18.616 11.131 -11.110 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -17.699 15.332 -7.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -20.803 11.680 -9.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -19.879 15.098 -6.808 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -21.421 13.249 -7.428 1.00 0.00 H new ATOM 220 N SER A 98 -16.413 15.297 -12.690 1.00 0.00 N ATOM 221 CA SER A 98 -17.186 16.178 -13.551 1.00 0.00 C ATOM 222 C SER A 98 -17.839 17.333 -12.767 1.00 0.00 C ATOM 223 O SER A 98 -18.190 18.356 -13.358 1.00 0.00 O ATOM 224 CB SER A 98 -18.227 15.331 -14.292 1.00 0.00 C ATOM 225 OG SER A 98 -17.655 14.111 -14.769 1.00 0.00 O ATOM 0 H SER A 98 -16.733 14.329 -12.718 1.00 0.00 H new ATOM 0 HA SER A 98 -16.520 16.655 -14.271 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.060 15.109 -13.625 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.632 15.898 -15.130 1.00 0.00 H new ATOM 0 HG SER A 98 -18.340 13.589 -15.236 1.00 0.00 H new ATOM 231 N ASP A 99 -17.976 17.189 -11.442 1.00 0.00 N ATOM 232 CA ASP A 99 -18.421 18.249 -10.546 1.00 0.00 C ATOM 233 C ASP A 99 -17.523 19.495 -10.601 1.00 0.00 C ATOM 234 O ASP A 99 -18.048 20.597 -10.786 1.00 0.00 O ATOM 235 CB ASP A 99 -18.469 17.739 -9.112 1.00 0.00 C ATOM 236 CG ASP A 99 -18.764 18.890 -8.139 1.00 0.00 C ATOM 237 OD1 ASP A 99 -19.929 19.354 -8.073 1.00 0.00 O ATOM 238 OD2 ASP A 99 -17.815 19.323 -7.441 1.00 0.00 O ATOM 0 H ASP A 99 -17.775 16.313 -10.960 1.00 0.00 H new ATOM 0 HA ASP A 99 -19.416 18.540 -10.884 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.237 16.971 -9.019 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -17.518 17.272 -8.854 1.00 0.00 H new ATOM 243 N SER A 100 -16.195 19.343 -10.450 1.00 0.00 N ATOM 244 CA SER A 100 -15.272 20.479 -10.378 1.00 0.00 C ATOM 245 C SER A 100 -13.792 20.057 -10.462 1.00 0.00 C ATOM 246 O SER A 100 -13.151 20.258 -11.497 1.00 0.00 O ATOM 247 CB SER A 100 -15.548 21.314 -9.110 1.00 0.00 C ATOM 248 OG SER A 100 -15.544 20.533 -7.924 1.00 0.00 O ATOM 0 H SER A 100 -15.739 18.434 -10.375 1.00 0.00 H new ATOM 0 HA SER A 100 -15.457 21.099 -11.255 1.00 0.00 H new ATOM 0 HB2 SER A 100 -14.795 22.098 -9.026 1.00 0.00 H new ATOM 0 HB3 SER A 100 -16.514 21.809 -9.210 1.00 0.00 H new ATOM 0 HG SER A 100 -16.229 19.835 -7.990 1.00 0.00 H new ATOM 254 N ARG A 101 -13.242 19.483 -9.379 1.00 0.00 N ATOM 255 CA ARG A 101 -11.833 19.095 -9.238 1.00 0.00 C ATOM 256 C ARG A 101 -11.736 17.746 -8.526 1.00 0.00 C ATOM 257 O ARG A 101 -12.661 16.949 -8.634 1.00 0.00 O ATOM 258 CB ARG A 101 -10.966 20.206 -8.597 1.00 0.00 C ATOM 259 CG ARG A 101 -11.155 20.505 -7.087 1.00 0.00 C ATOM 260 CD ARG A 101 -12.416 21.297 -6.727 1.00 0.00 C ATOM 261 NE ARG A 101 -12.354 22.703 -7.173 1.00 0.00 N ATOM 262 CZ ARG A 101 -13.338 23.605 -7.043 1.00 0.00 C ATOM 263 NH1 ARG A 101 -14.531 23.246 -6.575 1.00 0.00 N ATOM 264 NH2 ARG A 101 -13.122 24.872 -7.385 1.00 0.00 N ATOM 0 H ARG A 101 -13.791 19.269 -8.546 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.406 18.969 -10.233 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.920 19.945 -8.756 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -11.151 21.130 -9.145 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.174 19.559 -6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.285 21.058 -6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -13.283 20.815 -7.178 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -12.561 21.269 -5.647 1.00 0.00 H new ATOM 0 HE ARG A 101 -11.490 23.015 -7.617 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -14.704 22.276 -6.311 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.272 23.941 -6.480 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -12.210 25.155 -7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -13.868 25.561 -7.288 1.00 0.00 H new ATOM 278 N PHE A 102 -10.594 17.454 -7.907 1.00 0.00 N ATOM 279 CA PHE A 102 -10.234 16.158 -7.358 1.00 0.00 C ATOM 280 C PHE A 102 -11.247 15.580 -6.365 1.00 0.00 C ATOM 281 O PHE A 102 -11.684 16.258 -5.436 1.00 0.00 O ATOM 282 CB PHE A 102 -8.846 16.277 -6.708 1.00 0.00 C ATOM 283 CG PHE A 102 -7.788 16.710 -7.703 1.00 0.00 C ATOM 284 CD1 PHE A 102 -7.517 15.890 -8.810 1.00 0.00 C ATOM 285 CD2 PHE A 102 -7.084 17.921 -7.543 1.00 0.00 C ATOM 286 CE1 PHE A 102 -6.603 16.309 -9.782 1.00 0.00 C ATOM 287 CE2 PHE A 102 -6.145 18.324 -8.514 1.00 0.00 C ATOM 288 CZ PHE A 102 -5.909 17.515 -9.640 1.00 0.00 C ATOM 0 H PHE A 102 -9.863 18.152 -7.771 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.227 15.450 -8.187 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -8.889 16.995 -5.889 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -8.565 15.317 -6.275 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.014 14.936 -8.911 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.264 18.540 -6.676 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.431 15.694 -10.653 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.607 19.253 -8.393 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.196 17.823 -10.391 1.00 0.00 H new ATOM 298 N TYR A 103 -11.512 14.287 -6.542 1.00 0.00 N ATOM 299 CA TYR A 103 -12.239 13.358 -5.678 1.00 0.00 C ATOM 300 C TYR A 103 -11.491 12.016 -5.800 1.00 0.00 C ATOM 301 O TYR A 103 -10.750 11.836 -6.769 1.00 0.00 O ATOM 302 CB TYR A 103 -13.685 13.150 -6.163 1.00 0.00 C ATOM 303 CG TYR A 103 -14.665 14.288 -5.955 1.00 0.00 C ATOM 304 CD1 TYR A 103 -14.670 15.348 -6.866 1.00 0.00 C ATOM 305 CD2 TYR A 103 -15.574 14.292 -4.880 1.00 0.00 C ATOM 306 CE1 TYR A 103 -15.569 16.417 -6.742 1.00 0.00 C ATOM 307 CE2 TYR A 103 -16.515 15.333 -4.764 1.00 0.00 C ATOM 308 CZ TYR A 103 -16.502 16.415 -5.678 1.00 0.00 C ATOM 309 OH TYR A 103 -17.396 17.431 -5.511 1.00 0.00 O ATOM 0 H TYR A 103 -11.188 13.814 -7.385 1.00 0.00 H new ATOM 0 HA TYR A 103 -12.284 13.741 -4.659 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.653 12.925 -7.229 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -14.084 12.267 -5.663 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -13.965 15.344 -7.684 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -15.550 13.499 -4.147 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -15.550 17.232 -7.450 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -17.251 15.306 -3.974 1.00 0.00 H new ATOM 0 HH TYR A 103 -17.310 18.067 -6.251 1.00 0.00 H new ATOM 319 N PRO A 104 -11.669 11.053 -4.879 1.00 0.00 N ATOM 320 CA PRO A 104 -11.095 9.720 -5.041 1.00 0.00 C ATOM 321 C PRO A 104 -11.749 8.986 -6.225 1.00 0.00 C ATOM 322 O PRO A 104 -12.946 9.146 -6.482 1.00 0.00 O ATOM 323 CB PRO A 104 -11.310 9.029 -3.691 1.00 0.00 C ATOM 324 CG PRO A 104 -12.557 9.714 -3.130 1.00 0.00 C ATOM 325 CD PRO A 104 -12.421 11.146 -3.633 1.00 0.00 C ATOM 0 HA PRO A 104 -10.033 9.737 -5.288 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -11.461 7.956 -3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.451 9.159 -3.033 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -13.472 9.245 -3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.586 9.670 -2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.399 11.598 -3.798 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -11.900 11.769 -2.906 1.00 0.00 H new ATOM 333 N ALA A 105 -10.962 8.163 -6.924 1.00 0.00 N ATOM 334 CA ALA A 105 -11.363 7.332 -8.055 1.00 0.00 C ATOM 335 C ALA A 105 -10.413 6.133 -8.156 1.00 0.00 C ATOM 336 O ALA A 105 -9.348 6.120 -7.536 1.00 0.00 O ATOM 337 CB ALA A 105 -11.320 8.162 -9.346 1.00 0.00 C ATOM 0 H ALA A 105 -9.973 8.055 -6.700 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.381 6.970 -7.909 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -11.620 7.539 -10.189 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -12.003 9.007 -9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -10.307 8.530 -9.509 1.00 0.00 H new ATOM 343 N LYS A 106 -10.780 5.133 -8.955 1.00 0.00 N ATOM 344 CA LYS A 106 -9.989 3.934 -9.238 1.00 0.00 C ATOM 345 C LYS A 106 -9.359 4.121 -10.621 1.00 0.00 C ATOM 346 O LYS A 106 -10.052 4.544 -11.548 1.00 0.00 O ATOM 347 CB LYS A 106 -10.965 2.740 -9.180 1.00 0.00 C ATOM 348 CG LYS A 106 -10.310 1.351 -9.247 1.00 0.00 C ATOM 349 CD LYS A 106 -11.400 0.270 -9.118 1.00 0.00 C ATOM 350 CE LYS A 106 -10.881 -1.182 -9.072 1.00 0.00 C ATOM 351 NZ LYS A 106 -10.215 -1.532 -7.783 1.00 0.00 N ATOM 0 H LYS A 106 -11.675 5.135 -9.444 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.183 3.757 -8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.541 2.808 -8.257 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.672 2.830 -10.004 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.774 1.234 -10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.577 1.242 -8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.975 0.462 -8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.087 0.367 -9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.715 -1.864 -9.238 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.177 -1.334 -9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -10.269 -2.560 -7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.218 -1.239 -7.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.693 -1.041 -7.001 1.00 0.00 H new ATOM 365 N VAL A 107 -8.070 3.831 -10.798 1.00 0.00 N ATOM 366 CA VAL A 107 -7.435 3.868 -12.118 1.00 0.00 C ATOM 367 C VAL A 107 -8.002 2.729 -12.954 1.00 0.00 C ATOM 368 O VAL A 107 -8.090 1.603 -12.464 1.00 0.00 O ATOM 369 CB VAL A 107 -5.909 3.684 -12.005 1.00 0.00 C ATOM 370 CG1 VAL A 107 -5.207 3.799 -13.365 1.00 0.00 C ATOM 371 CG2 VAL A 107 -5.247 4.717 -11.099 1.00 0.00 C ATOM 0 H VAL A 107 -7.441 3.566 -10.040 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.635 4.835 -12.579 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.796 2.684 -11.586 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.134 3.662 -13.233 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.591 3.032 -14.038 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.398 4.784 -13.791 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.173 4.533 -11.061 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.430 5.717 -11.492 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.664 4.640 -10.095 1.00 0.00 H new ATOM 381 N THR A 108 -8.270 2.978 -14.232 1.00 0.00 N ATOM 382 CA THR A 108 -8.606 1.929 -15.184 1.00 0.00 C ATOM 383 C THR A 108 -7.524 1.850 -16.276 1.00 0.00 C ATOM 384 O THR A 108 -7.227 0.749 -16.742 1.00 0.00 O ATOM 385 CB THR A 108 -10.038 2.141 -15.686 1.00 0.00 C ATOM 386 OG1 THR A 108 -10.208 3.468 -16.142 1.00 0.00 O ATOM 387 CG2 THR A 108 -11.055 1.935 -14.560 1.00 0.00 C ATOM 0 H THR A 108 -8.260 3.915 -14.636 1.00 0.00 H new ATOM 0 HA THR A 108 -8.605 0.944 -14.717 1.00 0.00 H new ATOM 0 HB THR A 108 -10.201 1.420 -16.487 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.127 3.589 -16.461 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.062 2.092 -14.946 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.969 0.920 -14.173 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.859 2.647 -13.758 1.00 0.00 H new ATOM 395 N ALA A 109 -6.884 2.968 -16.654 1.00 0.00 N ATOM 396 CA ALA A 109 -5.688 2.982 -17.500 1.00 0.00 C ATOM 397 C ALA A 109 -4.848 4.221 -17.203 1.00 0.00 C ATOM 398 O ALA A 109 -5.344 5.211 -16.664 1.00 0.00 O ATOM 399 CB ALA A 109 -6.063 2.914 -18.988 1.00 0.00 C ATOM 0 H ALA A 109 -7.190 3.900 -16.374 1.00 0.00 H new ATOM 0 HA ALA A 109 -5.093 2.098 -17.271 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -5.156 2.926 -19.593 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.616 1.995 -19.182 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.683 3.772 -19.247 1.00 0.00 H new ATOM 405 N VAL A 110 -3.585 4.183 -17.623 1.00 0.00 N ATOM 406 CA VAL A 110 -2.652 5.300 -17.597 1.00 0.00 C ATOM 407 C VAL A 110 -1.928 5.233 -18.945 1.00 0.00 C ATOM 408 O VAL A 110 -1.588 4.134 -19.396 1.00 0.00 O ATOM 409 CB VAL A 110 -1.671 5.132 -16.413 1.00 0.00 C ATOM 410 CG1 VAL A 110 -0.751 6.352 -16.262 1.00 0.00 C ATOM 411 CG2 VAL A 110 -2.390 4.898 -15.078 1.00 0.00 C ATOM 0 H VAL A 110 -3.169 3.334 -18.007 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.141 6.264 -17.458 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.078 4.249 -16.652 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -0.076 6.197 -15.420 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.169 6.484 -17.174 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.354 7.243 -16.085 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.653 4.787 -14.282 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.036 5.748 -14.859 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.993 3.992 -15.143 1.00 0.00 H new ATOM 421 N ASN A 111 -1.702 6.375 -19.600 1.00 0.00 N ATOM 422 CA ASN A 111 -1.217 6.426 -20.978 1.00 0.00 C ATOM 423 C ASN A 111 -0.037 7.388 -21.018 1.00 0.00 C ATOM 424 O ASN A 111 -0.203 8.579 -20.747 1.00 0.00 O ATOM 425 CB ASN A 111 -2.319 6.928 -21.930 1.00 0.00 C ATOM 426 CG ASN A 111 -3.634 6.146 -21.886 1.00 0.00 C ATOM 427 OD1 ASN A 111 -3.649 4.921 -21.775 1.00 0.00 O ATOM 428 ND2 ASN A 111 -4.763 6.839 -21.970 1.00 0.00 N ATOM 0 H ASN A 111 -1.852 7.295 -19.185 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.922 5.428 -21.301 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.529 7.972 -21.696 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.934 6.901 -22.949 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.661 6.356 -21.943 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.733 7.854 -22.062 1.00 0.00 H new ATOM 435 N LYS A 112 1.155 6.894 -21.377 1.00 0.00 N ATOM 436 CA LYS A 112 2.396 7.681 -21.379 1.00 0.00 C ATOM 437 C LYS A 112 2.329 8.895 -22.320 1.00 0.00 C ATOM 438 O LYS A 112 3.076 9.853 -22.127 1.00 0.00 O ATOM 439 CB LYS A 112 3.574 6.741 -21.709 1.00 0.00 C ATOM 440 CG LYS A 112 4.981 7.354 -21.576 1.00 0.00 C ATOM 441 CD LYS A 112 5.276 7.918 -20.175 1.00 0.00 C ATOM 442 CE LYS A 112 6.740 8.352 -19.996 1.00 0.00 C ATOM 443 NZ LYS A 112 7.117 9.518 -20.844 1.00 0.00 N ATOM 0 H LYS A 112 1.287 5.928 -21.677 1.00 0.00 H new ATOM 0 HA LYS A 112 2.546 8.108 -20.387 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.514 5.871 -21.054 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.451 6.380 -22.730 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.724 6.594 -21.816 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.092 8.152 -22.311 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.625 8.772 -19.989 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.033 7.163 -19.427 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.912 8.602 -18.949 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.392 7.512 -20.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.114 9.761 -20.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.983 9.276 -21.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.517 10.332 -20.601 1.00 0.00 H new ATOM 457 N ASP A 113 1.416 8.886 -23.298 1.00 0.00 N ATOM 458 CA ASP A 113 1.128 10.040 -24.158 1.00 0.00 C ATOM 459 C ASP A 113 0.775 11.298 -23.347 1.00 0.00 C ATOM 460 O ASP A 113 1.093 12.412 -23.768 1.00 0.00 O ATOM 461 CB ASP A 113 -0.019 9.699 -25.111 1.00 0.00 C ATOM 462 CG ASP A 113 -0.340 10.882 -26.043 1.00 0.00 C ATOM 463 OD1 ASP A 113 0.462 11.157 -26.967 1.00 0.00 O ATOM 464 OD2 ASP A 113 -1.395 11.536 -25.858 1.00 0.00 O ATOM 0 H ASP A 113 0.849 8.067 -23.517 1.00 0.00 H new ATOM 0 HA ASP A 113 2.033 10.261 -24.724 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.247 8.826 -25.706 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.906 9.435 -24.536 1.00 0.00 H new ATOM 469 N GLY A 114 0.167 11.117 -22.168 1.00 0.00 N ATOM 470 CA GLY A 114 -0.145 12.185 -21.221 1.00 0.00 C ATOM 471 C GLY A 114 -1.579 12.118 -20.706 1.00 0.00 C ATOM 472 O GLY A 114 -2.121 13.149 -20.302 1.00 0.00 O ATOM 0 H GLY A 114 -0.128 10.197 -21.841 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.542 12.128 -20.377 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.019 13.150 -21.701 1.00 0.00 H new ATOM 476 N THR A 115 -2.220 10.947 -20.747 1.00 0.00 N ATOM 477 CA THR A 115 -3.641 10.809 -20.451 1.00 0.00 C ATOM 478 C THR A 115 -3.865 9.664 -19.453 1.00 0.00 C ATOM 479 O THR A 115 -2.946 8.922 -19.099 1.00 0.00 O ATOM 480 CB THR A 115 -4.464 10.725 -21.757 1.00 0.00 C ATOM 481 OG1 THR A 115 -4.050 9.636 -22.556 1.00 0.00 O ATOM 482 CG2 THR A 115 -4.327 11.993 -22.607 1.00 0.00 C ATOM 0 H THR A 115 -1.763 10.067 -20.988 1.00 0.00 H new ATOM 0 HA THR A 115 -4.016 11.701 -19.948 1.00 0.00 H new ATOM 0 HB THR A 115 -5.501 10.599 -21.445 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.748 9.428 -23.212 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.922 11.889 -23.514 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.681 12.853 -22.038 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.281 12.141 -22.874 1.00 0.00 H new ATOM 490 N TYR A 116 -5.094 9.560 -18.967 1.00 0.00 N ATOM 491 CA TYR A 116 -5.524 8.721 -17.867 1.00 0.00 C ATOM 492 C TYR A 116 -6.926 8.241 -18.178 1.00 0.00 C ATOM 493 O TYR A 116 -7.678 8.939 -18.858 1.00 0.00 O ATOM 494 CB TYR A 116 -5.604 9.588 -16.596 1.00 0.00 C ATOM 495 CG TYR A 116 -4.507 9.310 -15.591 1.00 0.00 C ATOM 496 CD1 TYR A 116 -4.639 8.238 -14.690 1.00 0.00 C ATOM 497 CD2 TYR A 116 -3.361 10.122 -15.554 1.00 0.00 C ATOM 498 CE1 TYR A 116 -3.651 8.009 -13.715 1.00 0.00 C ATOM 499 CE2 TYR A 116 -2.369 9.902 -14.580 1.00 0.00 C ATOM 500 CZ TYR A 116 -2.516 8.845 -13.653 1.00 0.00 C ATOM 501 OH TYR A 116 -1.557 8.643 -12.707 1.00 0.00 O ATOM 0 H TYR A 116 -5.866 10.098 -19.361 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.836 7.888 -17.726 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.563 10.639 -16.882 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.570 9.426 -16.118 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.501 7.589 -14.747 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -3.241 10.917 -16.275 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -3.761 7.194 -13.015 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -1.498 10.539 -14.541 1.00 0.00 H new ATOM 0 HH TYR A 116 -1.674 7.756 -12.307 1.00 0.00 H new ATOM 511 N THR A 117 -7.310 7.120 -17.584 1.00 0.00 N ATOM 512 CA THR A 117 -8.676 6.642 -17.591 1.00 0.00 C ATOM 513 C THR A 117 -8.947 6.215 -16.155 1.00 0.00 C ATOM 514 O THR A 117 -8.105 5.570 -15.517 1.00 0.00 O ATOM 515 CB THR A 117 -8.861 5.511 -18.618 1.00 0.00 C ATOM 516 OG1 THR A 117 -8.168 5.806 -19.825 1.00 0.00 O ATOM 517 CG2 THR A 117 -10.342 5.317 -18.961 1.00 0.00 C ATOM 0 H THR A 117 -6.668 6.511 -17.077 1.00 0.00 H new ATOM 0 HA THR A 117 -9.392 7.402 -17.902 1.00 0.00 H new ATOM 0 HB THR A 117 -8.461 4.603 -18.167 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.297 5.074 -20.464 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.445 4.512 -19.689 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.894 5.061 -18.057 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.742 6.240 -19.382 1.00 0.00 H new ATOM 525 N VAL A 118 -10.091 6.622 -15.617 1.00 0.00 N ATOM 526 CA VAL A 118 -10.447 6.390 -14.227 1.00 0.00 C ATOM 527 C VAL A 118 -11.925 6.035 -14.154 1.00 0.00 C ATOM 528 O VAL A 118 -12.714 6.443 -15.009 1.00 0.00 O ATOM 529 CB VAL A 118 -10.127 7.631 -13.363 1.00 0.00 C ATOM 530 CG1 VAL A 118 -8.617 7.800 -13.127 1.00 0.00 C ATOM 531 CG2 VAL A 118 -10.693 8.931 -13.957 1.00 0.00 C ATOM 0 H VAL A 118 -10.804 7.128 -16.142 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.858 5.563 -13.831 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.618 7.447 -12.407 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.441 8.685 -12.515 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.228 6.921 -12.613 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.110 7.915 -14.085 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.438 9.769 -13.308 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.266 9.095 -14.946 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -11.777 8.852 -14.038 1.00 0.00 H new ATOM 541 N LYS A 119 -12.294 5.324 -13.092 1.00 0.00 N ATOM 542 CA LYS A 119 -13.659 4.982 -12.734 1.00 0.00 C ATOM 543 C LYS A 119 -13.939 5.621 -11.385 1.00 0.00 C ATOM 544 O LYS A 119 -13.156 5.440 -10.455 1.00 0.00 O ATOM 545 CB LYS A 119 -13.783 3.450 -12.693 1.00 0.00 C ATOM 546 CG LYS A 119 -15.124 2.946 -12.132 1.00 0.00 C ATOM 547 CD LYS A 119 -15.198 1.418 -12.258 1.00 0.00 C ATOM 548 CE LYS A 119 -16.532 0.900 -11.697 1.00 0.00 C ATOM 549 NZ LYS A 119 -16.661 -0.579 -11.820 1.00 0.00 N ATOM 0 H LYS A 119 -11.613 4.955 -12.428 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.388 5.349 -13.456 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.652 3.058 -13.702 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -12.972 3.046 -12.087 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.225 3.239 -11.087 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.951 3.405 -12.673 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.098 1.127 -13.304 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.368 0.961 -11.720 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.617 1.184 -10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.356 1.380 -12.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.576 -0.881 -11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.607 -0.850 -12.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -15.891 -1.040 -11.295 1.00 0.00 H new ATOM 563 N PHE A 120 -15.044 6.345 -11.272 1.00 0.00 N ATOM 564 CA PHE A 120 -15.547 6.839 -10.000 1.00 0.00 C ATOM 565 C PHE A 120 -16.534 5.797 -9.482 1.00 0.00 C ATOM 566 O PHE A 120 -17.250 5.170 -10.268 1.00 0.00 O ATOM 567 CB PHE A 120 -16.197 8.216 -10.197 1.00 0.00 C ATOM 568 CG PHE A 120 -15.203 9.296 -10.587 1.00 0.00 C ATOM 569 CD1 PHE A 120 -14.882 9.506 -11.942 1.00 0.00 C ATOM 570 CD2 PHE A 120 -14.595 10.092 -9.596 1.00 0.00 C ATOM 571 CE1 PHE A 120 -13.957 10.503 -12.304 1.00 0.00 C ATOM 572 CE2 PHE A 120 -13.681 11.097 -9.960 1.00 0.00 C ATOM 573 CZ PHE A 120 -13.361 11.302 -11.313 1.00 0.00 C ATOM 0 H PHE A 120 -15.622 6.608 -12.070 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.750 6.977 -9.270 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -16.964 8.142 -10.968 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -16.699 8.509 -9.275 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -15.347 8.900 -12.706 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -14.831 9.930 -8.555 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.705 10.654 -13.343 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.224 11.712 -9.199 1.00 0.00 H new ATOM 0 HZ PHE A 120 -12.658 12.073 -11.591 1.00 0.00 H new ATOM 583 N TYR A 121 -16.594 5.635 -8.159 1.00 0.00 N ATOM 584 CA TYR A 121 -17.306 4.543 -7.484 1.00 0.00 C ATOM 585 C TYR A 121 -18.817 4.521 -7.746 1.00 0.00 C ATOM 586 O TYR A 121 -19.450 3.476 -7.585 1.00 0.00 O ATOM 587 CB TYR A 121 -17.039 4.616 -5.973 1.00 0.00 C ATOM 588 CG TYR A 121 -15.579 4.826 -5.631 1.00 0.00 C ATOM 589 CD1 TYR A 121 -14.661 3.765 -5.758 1.00 0.00 C ATOM 590 CD2 TYR A 121 -15.137 6.089 -5.197 1.00 0.00 C ATOM 591 CE1 TYR A 121 -13.296 3.971 -5.489 1.00 0.00 C ATOM 592 CE2 TYR A 121 -13.777 6.297 -4.929 1.00 0.00 C ATOM 593 CZ TYR A 121 -12.844 5.246 -5.079 1.00 0.00 C ATOM 594 OH TYR A 121 -11.525 5.473 -4.827 1.00 0.00 O ATOM 0 H TYR A 121 -16.138 6.275 -7.509 1.00 0.00 H new ATOM 0 HA TYR A 121 -16.917 3.616 -7.905 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -17.625 5.430 -5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -17.385 3.694 -5.505 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -15.007 2.789 -6.063 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -15.843 6.896 -5.071 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -12.595 3.157 -5.595 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -13.439 7.270 -4.605 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.979 4.885 -5.389 1.00 0.00 H new ATOM 604 N ASP A 122 -19.397 5.657 -8.156 1.00 0.00 N ATOM 605 CA ASP A 122 -20.816 5.749 -8.528 1.00 0.00 C ATOM 606 C ASP A 122 -21.152 4.895 -9.762 1.00 0.00 C ATOM 607 O ASP A 122 -22.316 4.542 -9.971 1.00 0.00 O ATOM 608 CB ASP A 122 -21.187 7.211 -8.780 1.00 0.00 C ATOM 609 CG ASP A 122 -22.690 7.377 -9.087 1.00 0.00 C ATOM 610 OD1 ASP A 122 -23.520 7.125 -8.179 1.00 0.00 O ATOM 611 OD2 ASP A 122 -23.047 7.765 -10.226 1.00 0.00 O ATOM 0 H ASP A 122 -18.894 6.541 -8.239 1.00 0.00 H new ATOM 0 HA ASP A 122 -21.402 5.356 -7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -20.927 7.808 -7.906 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -20.601 7.596 -9.615 1.00 0.00 H new ATOM 616 N GLY A 123 -20.141 4.527 -10.564 1.00 0.00 N ATOM 617 CA GLY A 123 -20.300 3.708 -11.758 1.00 0.00 C ATOM 618 C GLY A 123 -20.195 4.558 -13.022 1.00 0.00 C ATOM 619 O GLY A 123 -21.037 4.444 -13.914 1.00 0.00 O ATOM 0 H GLY A 123 -19.174 4.800 -10.390 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -19.537 2.930 -11.774 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -21.267 3.205 -11.733 1.00 0.00 H new ATOM 623 N VAL A 124 -19.185 5.434 -13.084 1.00 0.00 N ATOM 624 CA VAL A 124 -18.956 6.367 -14.187 1.00 0.00 C ATOM 625 C VAL A 124 -17.467 6.271 -14.519 1.00 0.00 C ATOM 626 O VAL A 124 -16.641 6.156 -13.614 1.00 0.00 O ATOM 627 CB VAL A 124 -19.388 7.797 -13.771 1.00 0.00 C ATOM 628 CG1 VAL A 124 -19.227 8.804 -14.921 1.00 0.00 C ATOM 629 CG2 VAL A 124 -20.848 7.853 -13.293 1.00 0.00 C ATOM 0 H VAL A 124 -18.486 5.513 -12.345 1.00 0.00 H new ATOM 0 HA VAL A 124 -19.547 6.124 -15.070 1.00 0.00 H new ATOM 0 HB VAL A 124 -18.727 8.066 -12.947 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -19.541 9.792 -14.586 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -18.182 8.840 -15.229 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -19.844 8.494 -15.765 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -21.100 8.876 -13.014 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -21.507 7.523 -14.096 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -20.974 7.200 -12.430 1.00 0.00 H new ATOM 639 N VAL A 125 -17.124 6.298 -15.806 1.00 0.00 N ATOM 640 CA VAL A 125 -15.766 6.105 -16.304 1.00 0.00 C ATOM 641 C VAL A 125 -15.512 7.207 -17.337 1.00 0.00 C ATOM 642 O VAL A 125 -16.420 7.550 -18.100 1.00 0.00 O ATOM 643 CB VAL A 125 -15.623 4.684 -16.905 1.00 0.00 C ATOM 644 CG1 VAL A 125 -14.166 4.355 -17.277 1.00 0.00 C ATOM 645 CG2 VAL A 125 -16.115 3.579 -15.952 1.00 0.00 C ATOM 0 H VAL A 125 -17.803 6.459 -16.550 1.00 0.00 H new ATOM 0 HA VAL A 125 -15.024 6.177 -15.509 1.00 0.00 H new ATOM 0 HB VAL A 125 -16.247 4.701 -17.798 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.115 3.349 -17.694 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -13.808 5.073 -18.015 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -13.542 4.410 -16.385 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -15.990 2.606 -16.427 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -15.535 3.609 -15.030 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -17.169 3.738 -15.723 1.00 0.00 H new ATOM 655 N GLN A 126 -14.297 7.765 -17.371 1.00 0.00 N ATOM 656 CA GLN A 126 -13.913 8.793 -18.340 1.00 0.00 C ATOM 657 C GLN A 126 -12.415 8.719 -18.640 1.00 0.00 C ATOM 658 O GLN A 126 -11.636 8.286 -17.785 1.00 0.00 O ATOM 659 CB GLN A 126 -14.336 10.191 -17.831 1.00 0.00 C ATOM 660 CG GLN A 126 -13.760 10.626 -16.469 1.00 0.00 C ATOM 661 CD GLN A 126 -14.398 11.952 -16.030 1.00 0.00 C ATOM 662 OE1 GLN A 126 -13.853 13.028 -16.254 1.00 0.00 O ATOM 663 NE2 GLN A 126 -15.567 11.916 -15.401 1.00 0.00 N ATOM 0 H GLN A 126 -13.550 7.514 -16.723 1.00 0.00 H new ATOM 0 HA GLN A 126 -14.437 8.612 -19.279 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -14.044 10.930 -18.577 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -15.424 10.217 -17.766 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -13.950 9.856 -15.721 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -12.678 10.739 -16.541 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -16.019 11.021 -15.215 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -16.013 12.784 -15.103 1.00 0.00 H new ATOM 672 N THR A 127 -12.024 9.181 -19.828 1.00 0.00 N ATOM 673 CA THR A 127 -10.630 9.390 -20.209 1.00 0.00 C ATOM 674 C THR A 127 -10.355 10.890 -20.048 1.00 0.00 C ATOM 675 O THR A 127 -11.187 11.721 -20.427 1.00 0.00 O ATOM 676 CB THR A 127 -10.371 8.903 -21.651 1.00 0.00 C ATOM 677 OG1 THR A 127 -10.964 7.632 -21.881 1.00 0.00 O ATOM 678 CG2 THR A 127 -8.872 8.790 -21.953 1.00 0.00 C ATOM 0 H THR A 127 -12.683 9.425 -20.567 1.00 0.00 H new ATOM 0 HA THR A 127 -9.955 8.813 -19.578 1.00 0.00 H new ATOM 0 HB THR A 127 -10.819 9.648 -22.308 1.00 0.00 H new ATOM 0 HG1 THR A 127 -10.785 7.350 -22.802 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.732 8.444 -22.977 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.402 9.766 -21.832 1.00 0.00 H new ATOM 0 HG23 THR A 127 -8.415 8.079 -21.265 1.00 0.00 H new ATOM 686 N VAL A 128 -9.213 11.236 -19.463 1.00 0.00 N ATOM 687 CA VAL A 128 -8.848 12.581 -19.019 1.00 0.00 C ATOM 688 C VAL A 128 -7.328 12.759 -19.150 1.00 0.00 C ATOM 689 O VAL A 128 -6.625 11.830 -19.546 1.00 0.00 O ATOM 690 CB VAL A 128 -9.363 12.805 -17.570 1.00 0.00 C ATOM 691 CG1 VAL A 128 -10.847 13.184 -17.539 1.00 0.00 C ATOM 692 CG2 VAL A 128 -9.134 11.605 -16.634 1.00 0.00 C ATOM 0 H VAL A 128 -8.479 10.553 -19.275 1.00 0.00 H new ATOM 0 HA VAL A 128 -9.318 13.340 -19.644 1.00 0.00 H new ATOM 0 HB VAL A 128 -8.763 13.635 -17.197 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.164 13.331 -16.506 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.999 14.106 -18.100 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -11.436 12.385 -17.989 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -9.520 11.839 -15.642 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.653 10.731 -17.029 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.067 11.394 -16.568 1.00 0.00 H new ATOM 702 N LYS A 129 -6.797 13.947 -18.852 1.00 0.00 N ATOM 703 CA LYS A 129 -5.378 14.269 -19.024 1.00 0.00 C ATOM 704 C LYS A 129 -4.616 14.066 -17.717 1.00 0.00 C ATOM 705 O LYS A 129 -5.215 13.994 -16.645 1.00 0.00 O ATOM 706 CB LYS A 129 -5.250 15.717 -19.534 1.00 0.00 C ATOM 707 CG LYS A 129 -5.851 15.848 -20.943 1.00 0.00 C ATOM 708 CD LYS A 129 -5.645 17.267 -21.500 1.00 0.00 C ATOM 709 CE LYS A 129 -6.052 17.409 -22.979 1.00 0.00 C ATOM 710 NZ LYS A 129 -7.522 17.330 -23.204 1.00 0.00 N ATOM 0 H LYS A 129 -7.347 14.722 -18.480 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.936 13.597 -19.759 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -5.760 16.396 -18.850 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -4.201 16.011 -19.551 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.387 15.121 -21.609 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -6.916 15.617 -20.911 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -6.224 17.971 -20.902 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -4.596 17.543 -21.391 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -5.686 18.363 -23.358 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -5.562 16.627 -23.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -7.724 17.433 -24.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -7.875 16.410 -22.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -7.995 18.092 -22.678 1.00 0.00 H new ATOM 724 N HIS A 130 -3.284 14.059 -17.789 1.00 0.00 N ATOM 725 CA HIS A 130 -2.402 14.049 -16.615 1.00 0.00 C ATOM 726 C HIS A 130 -2.721 15.216 -15.670 1.00 0.00 C ATOM 727 O HIS A 130 -2.766 15.017 -14.460 1.00 0.00 O ATOM 728 CB HIS A 130 -0.938 14.075 -17.094 1.00 0.00 C ATOM 729 CG HIS A 130 0.110 14.232 -16.014 1.00 0.00 C ATOM 730 ND1 HIS A 130 1.334 14.889 -16.191 1.00 0.00 N ATOM 731 CD2 HIS A 130 0.038 13.774 -14.726 1.00 0.00 C ATOM 732 CE1 HIS A 130 1.970 14.809 -15.009 1.00 0.00 C ATOM 733 NE2 HIS A 130 1.214 14.154 -14.113 1.00 0.00 N ATOM 0 H HIS A 130 -2.778 14.060 -18.675 1.00 0.00 H new ATOM 0 HA HIS A 130 -2.567 13.138 -16.040 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -0.737 13.151 -17.636 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -0.824 14.893 -17.805 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -0.777 13.225 -14.279 1.00 0.00 H new ATOM 0 HE1 HIS A 130 2.951 15.214 -14.808 1.00 0.00 H new ATOM 0 HE2 HIS A 130 1.467 13.969 -13.142 1.00 0.00 H new ATOM 741 N ILE A 131 -3.042 16.405 -16.193 1.00 0.00 N ATOM 742 CA ILE A 131 -3.443 17.551 -15.363 1.00 0.00 C ATOM 743 C ILE A 131 -4.726 17.300 -14.547 1.00 0.00 C ATOM 744 O ILE A 131 -5.009 18.065 -13.622 1.00 0.00 O ATOM 745 CB ILE A 131 -3.553 18.843 -16.205 1.00 0.00 C ATOM 746 CG1 ILE A 131 -4.529 18.705 -17.396 1.00 0.00 C ATOM 747 CG2 ILE A 131 -2.151 19.258 -16.673 1.00 0.00 C ATOM 748 CD1 ILE A 131 -4.913 20.047 -18.032 1.00 0.00 C ATOM 0 H ILE A 131 -3.032 16.601 -17.194 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.646 17.685 -14.631 1.00 0.00 H new ATOM 0 HB ILE A 131 -3.974 19.624 -15.572 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.075 18.069 -18.156 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -5.434 18.201 -17.057 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.221 20.169 -17.268 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.516 19.439 -15.805 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -1.719 18.461 -17.279 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -5.600 19.874 -18.861 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.396 20.678 -17.286 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.016 20.544 -18.402 1.00 0.00 H new ATOM 760 N HIS A 132 -5.499 16.250 -14.850 1.00 0.00 N ATOM 761 CA HIS A 132 -6.768 15.967 -14.193 1.00 0.00 C ATOM 762 C HIS A 132 -6.672 14.810 -13.199 1.00 0.00 C ATOM 763 O HIS A 132 -7.659 14.541 -12.519 1.00 0.00 O ATOM 764 CB HIS A 132 -7.829 15.613 -15.246 1.00 0.00 C ATOM 765 CG HIS A 132 -8.036 16.622 -16.344 1.00 0.00 C ATOM 766 ND1 HIS A 132 -8.252 16.296 -17.684 1.00 0.00 N ATOM 767 CD2 HIS A 132 -8.048 17.980 -16.205 1.00 0.00 C ATOM 768 CE1 HIS A 132 -8.398 17.469 -18.320 1.00 0.00 C ATOM 769 NE2 HIS A 132 -8.284 18.493 -17.459 1.00 0.00 N ATOM 0 H HIS A 132 -5.252 15.569 -15.568 1.00 0.00 H new ATOM 0 HA HIS A 132 -7.044 16.866 -13.642 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -7.556 14.661 -15.702 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -8.780 15.461 -14.736 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -7.901 18.539 -15.293 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -8.582 17.575 -19.379 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -8.360 19.483 -17.695 1.00 0.00 H new ATOM 777 N VAL A 133 -5.556 14.080 -13.121 1.00 0.00 N ATOM 778 CA VAL A 133 -5.434 12.892 -12.262 1.00 0.00 C ATOM 779 C VAL A 133 -4.047 12.812 -11.624 1.00 0.00 C ATOM 780 O VAL A 133 -3.027 13.051 -12.275 1.00 0.00 O ATOM 781 CB VAL A 133 -5.761 11.599 -13.049 1.00 0.00 C ATOM 782 CG1 VAL A 133 -5.840 10.384 -12.113 1.00 0.00 C ATOM 783 CG2 VAL A 133 -7.094 11.689 -13.805 1.00 0.00 C ATOM 0 H VAL A 133 -4.710 14.293 -13.650 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.164 12.987 -11.458 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.948 11.482 -13.766 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -6.071 9.491 -12.694 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.883 10.251 -11.608 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.622 10.546 -11.371 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -7.273 10.756 -14.339 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.903 11.862 -13.096 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -7.053 12.513 -14.518 1.00 0.00 H new ATOM 793 N LYS A 134 -3.996 12.410 -10.349 1.00 0.00 N ATOM 794 CA LYS A 134 -2.758 12.177 -9.609 1.00 0.00 C ATOM 795 C LYS A 134 -2.974 11.076 -8.573 1.00 0.00 C ATOM 796 O LYS A 134 -4.083 10.568 -8.428 1.00 0.00 O ATOM 797 CB LYS A 134 -2.228 13.511 -9.034 1.00 0.00 C ATOM 798 CG LYS A 134 -3.224 14.270 -8.139 1.00 0.00 C ATOM 799 CD LYS A 134 -2.599 15.581 -7.628 1.00 0.00 C ATOM 800 CE LYS A 134 -3.623 16.414 -6.833 1.00 0.00 C ATOM 801 NZ LYS A 134 -3.032 17.685 -6.320 1.00 0.00 N ATOM 0 H LYS A 134 -4.834 12.235 -9.794 1.00 0.00 H new ATOM 0 HA LYS A 134 -1.973 11.811 -10.270 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.325 13.309 -8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -1.939 14.158 -9.862 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.133 14.488 -8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.513 13.644 -7.294 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -1.740 15.355 -6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -2.229 16.164 -8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -4.477 16.643 -7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.998 15.825 -5.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -3.789 18.298 -5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -2.361 17.472 -5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -2.533 18.172 -7.092 1.00 0.00 H new ATOM 815 N ALA A 135 -1.907 10.681 -7.878 1.00 0.00 N ATOM 816 CA ALA A 135 -1.945 9.693 -6.802 1.00 0.00 C ATOM 817 C ALA A 135 -2.905 10.131 -5.690 1.00 0.00 C ATOM 818 O ALA A 135 -3.287 11.301 -5.630 1.00 0.00 O ATOM 819 CB ALA A 135 -0.522 9.558 -6.243 1.00 0.00 C ATOM 0 H ALA A 135 -0.971 11.048 -8.052 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.302 8.738 -7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.516 8.826 -5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.151 9.230 -7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.188 10.523 -5.860 1.00 0.00 H new ATOM 825 N PHE A 136 -3.252 9.221 -4.766 1.00 0.00 N ATOM 826 CA PHE A 136 -3.972 9.654 -3.562 1.00 0.00 C ATOM 827 C PHE A 136 -3.084 10.587 -2.722 1.00 0.00 C ATOM 828 O PHE A 136 -3.596 11.431 -1.988 1.00 0.00 O ATOM 829 CB PHE A 136 -4.531 8.485 -2.743 1.00 0.00 C ATOM 830 CG PHE A 136 -5.519 8.989 -1.708 1.00 0.00 C ATOM 831 CD1 PHE A 136 -6.766 9.497 -2.126 1.00 0.00 C ATOM 832 CD2 PHE A 136 -5.195 8.971 -0.337 1.00 0.00 C ATOM 833 CE1 PHE A 136 -7.660 10.039 -1.186 1.00 0.00 C ATOM 834 CE2 PHE A 136 -6.099 9.499 0.604 1.00 0.00 C ATOM 835 CZ PHE A 136 -7.326 10.042 0.182 1.00 0.00 C ATOM 0 H PHE A 136 -3.055 8.222 -4.824 1.00 0.00 H new ATOM 0 HA PHE A 136 -4.848 10.216 -3.886 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -5.021 7.770 -3.405 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.716 7.956 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -7.035 9.470 -3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.255 8.553 -0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.602 10.453 -1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -5.849 9.487 1.655 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.010 10.460 0.905 1.00 0.00 H new ATOM 845 N SER A 137 -1.756 10.484 -2.880 1.00 0.00 N ATOM 846 CA SER A 137 -0.799 11.428 -2.340 1.00 0.00 C ATOM 847 C SER A 137 -1.051 12.785 -2.992 1.00 0.00 C ATOM 848 O SER A 137 -0.693 12.999 -4.151 1.00 0.00 O ATOM 849 CB SER A 137 0.619 10.925 -2.633 1.00 0.00 C ATOM 850 OG SER A 137 0.788 9.655 -2.025 1.00 0.00 O ATOM 0 H SER A 137 -1.321 9.722 -3.400 1.00 0.00 H new ATOM 0 HA SER A 137 -0.907 11.527 -1.260 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.779 10.853 -3.709 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.356 11.629 -2.248 1.00 0.00 H new ATOM 0 HG SER A 137 0.419 8.961 -2.610 1.00 0.00 H new ATOM 856 N LYS A 138 -1.699 13.700 -2.257 1.00 0.00 N ATOM 857 CA LYS A 138 -2.179 14.955 -2.832 1.00 0.00 C ATOM 858 C LYS A 138 -1.060 15.836 -3.408 1.00 0.00 C ATOM 859 O LYS A 138 -1.331 16.652 -4.286 1.00 0.00 O ATOM 860 CB LYS A 138 -3.079 15.716 -1.843 1.00 0.00 C ATOM 861 CG LYS A 138 -2.389 16.195 -0.553 1.00 0.00 C ATOM 862 CD LYS A 138 -3.418 16.923 0.327 1.00 0.00 C ATOM 863 CE LYS A 138 -2.796 17.438 1.635 1.00 0.00 C ATOM 864 NZ LYS A 138 -3.787 18.184 2.461 1.00 0.00 N ATOM 0 H LYS A 138 -1.901 13.590 -1.263 1.00 0.00 H new ATOM 0 HA LYS A 138 -2.792 14.683 -3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -3.498 16.583 -2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -3.915 15.072 -1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -1.967 15.346 -0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -1.562 16.862 -0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -3.841 17.761 -0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -4.240 16.246 0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -2.405 16.597 2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -1.951 18.088 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -3.356 18.442 3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -4.078 19.047 1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -4.620 17.584 2.630 1.00 0.00 H new ATOM 878 N ASP A 139 0.174 15.678 -2.916 1.00 0.00 N ATOM 879 CA ASP A 139 1.320 16.499 -3.295 1.00 0.00 C ATOM 880 C ASP A 139 1.672 16.366 -4.784 1.00 0.00 C ATOM 881 O ASP A 139 1.726 17.377 -5.487 1.00 0.00 O ATOM 882 CB ASP A 139 2.532 16.121 -2.432 1.00 0.00 C ATOM 883 CG ASP A 139 3.790 16.897 -2.856 1.00 0.00 C ATOM 884 OD1 ASP A 139 3.796 18.147 -2.751 1.00 0.00 O ATOM 885 OD2 ASP A 139 4.773 16.255 -3.293 1.00 0.00 O ATOM 0 H ASP A 139 0.404 14.960 -2.229 1.00 0.00 H new ATOM 0 HA ASP A 139 1.048 17.540 -3.123 1.00 0.00 H new ATOM 0 HB2 ASP A 139 2.312 16.327 -1.384 1.00 0.00 H new ATOM 0 HB3 ASP A 139 2.719 15.050 -2.514 1.00 0.00 H new ATOM 890 N GLN A 140 1.885 15.137 -5.280 1.00 0.00 N ATOM 891 CA GLN A 140 2.406 14.863 -6.625 1.00 0.00 C ATOM 892 C GLN A 140 1.967 13.476 -7.110 1.00 0.00 C ATOM 893 O GLN A 140 1.679 12.583 -6.312 1.00 0.00 O ATOM 894 CB GLN A 140 3.952 14.907 -6.607 1.00 0.00 C ATOM 895 CG GLN A 140 4.561 16.314 -6.678 1.00 0.00 C ATOM 896 CD GLN A 140 6.084 16.251 -6.597 1.00 0.00 C ATOM 897 OE1 GLN A 140 6.782 16.234 -7.610 1.00 0.00 O ATOM 898 NE2 GLN A 140 6.631 16.210 -5.393 1.00 0.00 N ATOM 0 H GLN A 140 1.695 14.290 -4.745 1.00 0.00 H new ATOM 0 HA GLN A 140 2.011 15.623 -7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 140 4.304 14.420 -5.697 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.327 14.322 -7.447 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.262 16.798 -7.608 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.174 16.924 -5.862 1.00 0.00 H new ATOM 0 HE21 GLN A 140 6.038 16.225 -4.563 1.00 0.00 H new ATOM 0 HE22 GLN A 140 7.645 16.164 -5.295 1.00 0.00 H new ATOM 907 N ASN A 141 1.965 13.288 -8.434 1.00 0.00 N ATOM 908 CA ASN A 141 1.775 11.987 -9.083 1.00 0.00 C ATOM 909 C ASN A 141 3.054 11.143 -8.914 1.00 0.00 C ATOM 910 O ASN A 141 4.135 11.714 -8.783 1.00 0.00 O ATOM 911 CB ASN A 141 1.439 12.248 -10.569 1.00 0.00 C ATOM 912 CG ASN A 141 0.824 11.047 -11.267 1.00 0.00 C ATOM 913 OD1 ASN A 141 1.341 9.949 -11.169 1.00 0.00 O ATOM 914 ND2 ASN A 141 -0.273 11.194 -11.977 1.00 0.00 N ATOM 0 H ASN A 141 2.098 14.051 -9.097 1.00 0.00 H new ATOM 0 HA ASN A 141 0.957 11.426 -8.632 1.00 0.00 H new ATOM 0 HB2 ASN A 141 0.750 13.090 -10.636 1.00 0.00 H new ATOM 0 HB3 ASN A 141 2.349 12.538 -11.094 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -0.690 10.389 -12.445 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -0.707 12.113 -12.060 1.00 0.00 H new ATOM 921 N ILE A 142 2.947 9.806 -8.933 1.00 0.00 N ATOM 922 CA ILE A 142 4.090 8.885 -8.799 1.00 0.00 C ATOM 923 C ILE A 142 4.036 7.749 -9.860 1.00 0.00 C ATOM 924 O ILE A 142 4.640 6.691 -9.678 1.00 0.00 O ATOM 925 CB ILE A 142 4.264 8.375 -7.337 1.00 0.00 C ATOM 926 CG1 ILE A 142 3.652 9.292 -6.245 1.00 0.00 C ATOM 927 CG2 ILE A 142 5.772 8.188 -7.074 1.00 0.00 C ATOM 928 CD1 ILE A 142 3.931 8.842 -4.806 1.00 0.00 C ATOM 0 H ILE A 142 2.054 9.326 -9.043 1.00 0.00 H new ATOM 0 HA ILE A 142 4.998 9.448 -9.014 1.00 0.00 H new ATOM 0 HB ILE A 142 3.710 7.439 -7.262 1.00 0.00 H new ATOM 0 HG12 ILE A 142 4.040 10.302 -6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 142 2.573 9.342 -6.394 1.00 0.00 H new ATOM 0 HG21 ILE A 142 5.922 7.831 -6.055 1.00 0.00 H new ATOM 0 HG22 ILE A 142 6.176 7.460 -7.777 1.00 0.00 H new ATOM 0 HG23 ILE A 142 6.285 9.141 -7.204 1.00 0.00 H new ATOM 0 HD11 ILE A 142 3.466 9.540 -4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 142 3.518 7.845 -4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 142 5.007 8.820 -4.634 1.00 0.00 H new ATOM 940 N VAL A 143 3.318 7.944 -10.977 1.00 0.00 N ATOM 941 CA VAL A 143 3.351 7.050 -12.144 1.00 0.00 C ATOM 942 C VAL A 143 3.319 7.855 -13.456 1.00 0.00 C ATOM 943 O VAL A 143 4.109 7.574 -14.359 1.00 0.00 O ATOM 944 CB VAL A 143 2.240 5.976 -12.035 1.00 0.00 C ATOM 945 CG1 VAL A 143 0.811 6.538 -12.005 1.00 0.00 C ATOM 946 CG2 VAL A 143 2.330 4.932 -13.162 1.00 0.00 C ATOM 0 H VAL A 143 2.689 8.738 -11.096 1.00 0.00 H new ATOM 0 HA VAL A 143 4.296 6.506 -12.159 1.00 0.00 H new ATOM 0 HB VAL A 143 2.431 5.507 -11.070 1.00 0.00 H new ATOM 0 HG11 VAL A 143 0.099 5.717 -11.928 1.00 0.00 H new ATOM 0 HG12 VAL A 143 0.698 7.199 -11.146 1.00 0.00 H new ATOM 0 HG13 VAL A 143 0.621 7.098 -12.921 1.00 0.00 H new ATOM 0 HG21 VAL A 143 1.531 4.200 -13.044 1.00 0.00 H new ATOM 0 HG22 VAL A 143 2.228 5.429 -14.127 1.00 0.00 H new ATOM 0 HG23 VAL A 143 3.295 4.427 -13.114 1.00 0.00 H new ATOM 956 N GLY A 144 2.498 8.911 -13.541 1.00 0.00 N ATOM 957 CA GLY A 144 2.524 9.863 -14.654 1.00 0.00 C ATOM 958 C GLY A 144 3.765 10.766 -14.608 1.00 0.00 C ATOM 959 O GLY A 144 4.176 11.313 -15.631 1.00 0.00 O ATOM 0 H GLY A 144 1.795 9.128 -12.835 1.00 0.00 H new ATOM 0 HA2 GLY A 144 2.507 9.318 -15.598 1.00 0.00 H new ATOM 0 HA3 GLY A 144 1.626 10.479 -14.625 1.00 0.00 H new ATOM 963 N ASN A 145 4.383 10.894 -13.427 1.00 0.00 N ATOM 964 CA ASN A 145 5.677 11.526 -13.176 1.00 0.00 C ATOM 965 C ASN A 145 6.357 10.683 -12.089 1.00 0.00 C ATOM 966 O ASN A 145 5.655 10.054 -11.298 1.00 0.00 O ATOM 967 CB ASN A 145 5.456 12.976 -12.708 1.00 0.00 C ATOM 968 CG ASN A 145 6.772 13.685 -12.406 1.00 0.00 C ATOM 969 OD1 ASN A 145 7.321 13.544 -11.320 1.00 0.00 O ATOM 970 ND2 ASN A 145 7.307 14.450 -13.345 1.00 0.00 N ATOM 0 H ASN A 145 3.963 10.535 -12.570 1.00 0.00 H new ATOM 0 HA ASN A 145 6.300 11.568 -14.070 1.00 0.00 H new ATOM 0 HB2 ASN A 145 4.915 13.527 -13.478 1.00 0.00 H new ATOM 0 HB3 ASN A 145 4.830 12.978 -11.816 1.00 0.00 H new ATOM 0 HD21 ASN A 145 8.189 14.932 -13.169 1.00 0.00 H new ATOM 0 HD22 ASN A 145 6.838 14.557 -14.244 1.00 0.00 H new ATOM 977 N ALA A 146 7.690 10.640 -12.039 1.00 0.00 N ATOM 978 CA ALA A 146 8.427 9.705 -11.185 1.00 0.00 C ATOM 979 C ALA A 146 8.996 10.343 -9.904 1.00 0.00 C ATOM 980 O ALA A 146 9.680 9.655 -9.145 1.00 0.00 O ATOM 981 CB ALA A 146 9.544 9.067 -12.022 1.00 0.00 C ATOM 0 H ALA A 146 8.290 11.253 -12.590 1.00 0.00 H new ATOM 0 HA ALA A 146 7.723 8.951 -10.834 1.00 0.00 H new ATOM 0 HB1 ALA A 146 10.106 8.366 -11.405 1.00 0.00 H new ATOM 0 HB2 ALA A 146 9.107 8.536 -12.868 1.00 0.00 H new ATOM 0 HB3 ALA A 146 10.213 9.845 -12.389 1.00 0.00 H new ATOM 987 N ARG A 147 8.752 11.638 -9.650 1.00 0.00 N ATOM 988 CA ARG A 147 9.428 12.386 -8.581 1.00 0.00 C ATOM 989 C ARG A 147 8.517 12.708 -7.391 1.00 0.00 C ATOM 990 O ARG A 147 8.966 13.386 -6.463 1.00 0.00 O ATOM 991 CB ARG A 147 10.055 13.671 -9.164 1.00 0.00 C ATOM 992 CG ARG A 147 10.939 13.481 -10.414 1.00 0.00 C ATOM 993 CD ARG A 147 12.063 12.443 -10.255 1.00 0.00 C ATOM 994 NE ARG A 147 13.000 12.790 -9.166 1.00 0.00 N ATOM 995 CZ ARG A 147 14.035 13.642 -9.236 1.00 0.00 C ATOM 996 NH1 ARG A 147 14.326 14.274 -10.373 1.00 0.00 N ATOM 997 NH2 ARG A 147 14.781 13.861 -8.154 1.00 0.00 N ATOM 0 H ARG A 147 8.081 12.195 -10.180 1.00 0.00 H new ATOM 0 HA ARG A 147 10.212 11.741 -8.184 1.00 0.00 H new ATOM 0 HB2 ARG A 147 9.251 14.364 -9.413 1.00 0.00 H new ATOM 0 HB3 ARG A 147 10.655 14.145 -8.387 1.00 0.00 H new ATOM 0 HG2 ARG A 147 10.305 13.184 -11.249 1.00 0.00 H new ATOM 0 HG3 ARG A 147 11.384 14.441 -10.677 1.00 0.00 H new ATOM 0 HD2 ARG A 147 11.625 11.465 -10.056 1.00 0.00 H new ATOM 0 HD3 ARG A 147 12.614 12.361 -11.192 1.00 0.00 H new ATOM 0 HE ARG A 147 12.844 12.334 -8.267 1.00 0.00 H new ATOM 0 HH11 ARG A 147 13.759 14.113 -11.205 1.00 0.00 H new ATOM 0 HH12 ARG A 147 15.116 14.919 -10.411 1.00 0.00 H new ATOM 0 HH21 ARG A 147 14.564 13.383 -7.280 1.00 0.00 H new ATOM 0 HH22 ARG A 147 15.569 14.507 -8.200 1.00 0.00 H new ATOM 1011 N GLY A 200 7.260 12.255 -7.400 1.00 0.00 N ATOM 1012 CA GLY A 200 6.355 12.425 -6.268 1.00 0.00 C ATOM 1013 C GLY A 200 6.740 11.569 -5.066 1.00 0.00 C ATOM 1014 O GLY A 200 7.657 10.740 -5.121 1.00 0.00 O ATOM 0 H GLY A 200 6.846 11.762 -8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 200 6.345 13.474 -5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 200 5.341 12.171 -6.578 1.00 0.00 H new ATOM 1018 N SER A 201 5.987 11.782 -3.986 1.00 0.00 N ATOM 1019 CA SER A 201 6.258 11.275 -2.651 1.00 0.00 C ATOM 1020 C SER A 201 4.930 11.020 -1.927 1.00 0.00 C ATOM 1021 O SER A 201 3.891 11.565 -2.317 1.00 0.00 O ATOM 1022 CB SER A 201 7.072 12.358 -1.924 1.00 0.00 C ATOM 1023 OG SER A 201 8.394 12.448 -2.443 1.00 0.00 O ATOM 0 H SER A 201 5.133 12.339 -4.026 1.00 0.00 H new ATOM 0 HA SER A 201 6.811 10.336 -2.679 1.00 0.00 H new ATOM 0 HB2 SER A 201 6.573 13.321 -2.027 1.00 0.00 H new ATOM 0 HB3 SER A 201 7.112 12.132 -0.859 1.00 0.00 H new ATOM 0 HG SER A 201 8.887 13.146 -1.963 1.00 0.00 H new ATOM 1029 N ARG A 363 4.952 10.180 -0.883 1.00 0.00 N ATOM 1030 CA ARG A 363 3.755 9.836 -0.105 1.00 0.00 C ATOM 1031 C ARG A 363 3.119 11.088 0.513 1.00 0.00 C ATOM 1032 O ARG A 363 3.833 11.974 0.991 1.00 0.00 O ATOM 1033 CB ARG A 363 4.070 8.756 0.951 1.00 0.00 C ATOM 1034 CG ARG A 363 5.040 9.195 2.063 1.00 0.00 C ATOM 1035 CD ARG A 363 5.333 8.042 3.029 1.00 0.00 C ATOM 1036 NE ARG A 363 6.242 8.465 4.113 1.00 0.00 N ATOM 1037 CZ ARG A 363 6.684 7.694 5.118 1.00 0.00 C ATOM 1038 NH1 ARG A 363 6.307 6.420 5.217 1.00 0.00 N ATOM 1039 NH2 ARG A 363 7.509 8.206 6.028 1.00 0.00 N ATOM 0 H ARG A 363 5.801 9.720 -0.554 1.00 0.00 H new ATOM 0 HA ARG A 363 3.018 9.409 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 363 3.135 8.436 1.411 1.00 0.00 H new ATOM 0 HB3 ARG A 363 4.491 7.887 0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 363 5.971 9.547 1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 363 4.612 10.034 2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 363 4.399 7.678 3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 363 5.779 7.211 2.482 1.00 0.00 H new ATOM 0 HE ARG A 363 6.564 9.433 4.096 1.00 0.00 H new ATOM 0 HH11 ARG A 363 5.675 6.020 4.524 1.00 0.00 H new ATOM 0 HH12 ARG A 363 6.650 5.845 5.986 1.00 0.00 H new ATOM 0 HH21 ARG A 363 7.802 9.180 5.959 1.00 0.00 H new ATOM 0 HH22 ARG A 363 7.848 7.624 6.794 1.00 0.00 H new ATOM 1053 N ALA A 364 1.787 11.138 0.536 1.00 0.00 N ATOM 1054 CA ALA A 364 0.972 12.158 1.191 1.00 0.00 C ATOM 1055 C ALA A 364 -0.453 11.600 1.364 1.00 0.00 C ATOM 1056 O ALA A 364 -0.733 10.480 0.927 1.00 0.00 O ATOM 1057 CB ALA A 364 0.959 13.437 0.334 1.00 0.00 C ATOM 0 H ALA A 364 1.218 10.429 0.073 1.00 0.00 H new ATOM 0 HA ALA A 364 1.383 12.410 2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 364 0.351 14.197 0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 364 1.978 13.807 0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 364 0.540 13.213 -0.647 1.00 0.00 H new ATOM 1063 N HIS A 365 -1.359 12.375 1.963 1.00 0.00 N ATOM 1064 CA HIS A 365 -2.773 12.035 2.176 1.00 0.00 C ATOM 1065 C HIS A 365 -3.494 13.289 2.701 1.00 0.00 C ATOM 1066 O HIS A 365 -3.058 14.402 2.399 1.00 0.00 O ATOM 1067 CB HIS A 365 -2.883 10.833 3.151 1.00 0.00 C ATOM 1068 CG HIS A 365 -2.133 11.020 4.454 1.00 0.00 C ATOM 1069 ND1 HIS A 365 -2.197 12.146 5.284 1.00 0.00 N ATOM 1070 CD2 HIS A 365 -1.274 10.115 5.009 1.00 0.00 C ATOM 1071 CE1 HIS A 365 -1.364 11.896 6.309 1.00 0.00 C ATOM 1072 NE2 HIS A 365 -0.802 10.682 6.172 1.00 0.00 N ATOM 0 H HIS A 365 -1.120 13.296 2.330 1.00 0.00 H new ATOM 0 HA HIS A 365 -3.250 11.728 1.245 1.00 0.00 H new ATOM 0 HB2 HIS A 365 -3.935 10.655 3.373 1.00 0.00 H new ATOM 0 HB3 HIS A 365 -2.506 9.940 2.653 1.00 0.00 H new ATOM 0 HD2 HIS A 365 -1.015 9.144 4.613 1.00 0.00 H new ATOM 0 HE1 HIS A 365 -1.173 12.575 7.127 1.00 0.00 H new ATOM 0 HE2 HIS A 365 -0.139 10.254 6.819 1.00 0.00 H new ATOM 1080 N SER A 366 -4.581 13.139 3.477 1.00 0.00 N ATOM 1081 CA SER A 366 -5.422 14.236 3.969 1.00 0.00 C ATOM 1082 C SER A 366 -6.003 15.047 2.798 1.00 0.00 C ATOM 1083 O SER A 366 -6.005 16.283 2.794 1.00 0.00 O ATOM 1084 CB SER A 366 -4.676 15.065 5.026 1.00 0.00 C ATOM 1085 OG SER A 366 -4.235 14.241 6.098 1.00 0.00 O ATOM 0 H SER A 366 -4.906 12.223 3.787 1.00 0.00 H new ATOM 0 HA SER A 366 -6.289 13.830 4.489 1.00 0.00 H new ATOM 0 HB2 SER A 366 -3.821 15.561 4.568 1.00 0.00 H new ATOM 0 HB3 SER A 366 -5.331 15.848 5.409 1.00 0.00 H new ATOM 0 HG SER A 366 -3.571 13.601 5.767 1.00 0.00 H new ATOM 1091 N SER A 367 -6.438 14.312 1.777 1.00 0.00 N ATOM 1092 CA SER A 367 -7.016 14.791 0.531 1.00 0.00 C ATOM 1093 C SER A 367 -8.530 15.029 0.684 1.00 0.00 C ATOM 1094 O SER A 367 -9.133 14.632 1.688 1.00 0.00 O ATOM 1095 CB SER A 367 -6.721 13.724 -0.534 1.00 0.00 C ATOM 1096 OG SER A 367 -5.376 13.271 -0.404 1.00 0.00 O ATOM 0 H SER A 367 -6.391 13.293 1.804 1.00 0.00 H new ATOM 0 HA SER A 367 -6.583 15.748 0.242 1.00 0.00 H new ATOM 0 HB2 SER A 367 -7.409 12.886 -0.423 1.00 0.00 H new ATOM 0 HB3 SER A 367 -6.881 14.137 -1.530 1.00 0.00 H new ATOM 0 HG SER A 367 -5.168 12.649 -1.133 1.00 0.00 H new ATOM 1102 N HIS A 368 -9.163 15.653 -0.321 1.00 0.00 N ATOM 1103 CA HIS A 368 -10.625 15.759 -0.378 1.00 0.00 C ATOM 1104 C HIS A 368 -11.249 14.364 -0.504 1.00 0.00 C ATOM 1105 O HIS A 368 -10.675 13.500 -1.176 1.00 0.00 O ATOM 1106 CB HIS A 368 -11.064 16.645 -1.559 1.00 0.00 C ATOM 1107 CG HIS A 368 -12.560 16.862 -1.578 1.00 0.00 C ATOM 1108 ND1 HIS A 368 -13.288 17.518 -0.580 1.00 0.00 N ATOM 1109 CD2 HIS A 368 -13.416 16.449 -2.558 1.00 0.00 C ATOM 1110 CE1 HIS A 368 -14.572 17.483 -0.990 1.00 0.00 C ATOM 1111 NE2 HIS A 368 -14.675 16.853 -2.175 1.00 0.00 N ATOM 0 H HIS A 368 -8.682 16.092 -1.106 1.00 0.00 H new ATOM 0 HA HIS A 368 -10.972 16.223 0.545 1.00 0.00 H new ATOM 0 HB2 HIS A 368 -10.559 17.609 -1.497 1.00 0.00 H new ATOM 0 HB3 HIS A 368 -10.753 16.182 -2.495 1.00 0.00 H new ATOM 0 HD2 HIS A 368 -13.156 15.911 -3.458 1.00 0.00 H new ATOM 0 HE1 HIS A 368 -15.403 17.903 -0.443 1.00 0.00 H new ATOM 0 HE2 HIS A 368 -15.537 16.701 -2.699 1.00 0.00 H new ATOM 1119 N LEU A 369 -12.435 14.155 0.078 1.00 0.00 N ATOM 1120 CA LEU A 369 -13.245 12.940 -0.042 1.00 0.00 C ATOM 1121 C LEU A 369 -14.713 13.370 -0.099 1.00 0.00 C ATOM 1122 O LEU A 369 -15.091 14.393 0.480 1.00 0.00 O ATOM 1123 CB LEU A 369 -13.083 11.997 1.172 1.00 0.00 C ATOM 1124 CG LEU A 369 -11.673 11.433 1.441 1.00 0.00 C ATOM 1125 CD1 LEU A 369 -11.672 10.676 2.776 1.00 0.00 C ATOM 1126 CD2 LEU A 369 -11.217 10.469 0.341 1.00 0.00 C ATOM 0 H LEU A 369 -12.875 14.859 0.671 1.00 0.00 H new ATOM 0 HA LEU A 369 -12.921 12.403 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 369 -13.408 12.534 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 369 -13.764 11.156 1.040 1.00 0.00 H new ATOM 0 HG LEU A 369 -10.985 12.278 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 369 -10.676 10.277 2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 369 -11.951 11.357 3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 369 -12.389 9.856 2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 369 -10.219 10.098 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 369 -11.911 9.631 0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 369 -11.196 10.992 -0.615 1.00 0.00 H new HETATM 1138 N M2L A 370 -15.551 12.561 -0.753 1.00 0.00 N HETATM 1139 CA M2L A 370 -16.999 12.713 -0.713 1.00 0.00 C HETATM 1140 CB M2L A 370 -17.610 12.134 -1.999 1.00 0.00 C HETATM 1141 SG M2L A 370 -17.132 10.689 -2.251 1.00 0.00 S HETATM 1142 CD M2L A 370 -16.823 10.357 -3.719 1.00 0.00 C HETATM 1143 CE M2L A 370 -18.108 10.361 -4.564 1.00 0.00 C HETATM 1144 NZ M2L A 370 -17.859 10.213 -6.029 1.00 0.00 N HETATM 1145 CM1 M2L A 370 -17.128 11.345 -6.683 1.00 0.00 C HETATM 1146 CM2 M2L A 370 -19.120 9.888 -6.764 1.00 0.00 C HETATM 1147 C M2L A 370 -17.547 12.004 0.530 1.00 0.00 C HETATM 1148 O M2L A 370 -16.907 11.105 1.074 1.00 0.00 O HETATM 0 HM2B M2L A 370 -19.531 8.952 -6.386 1.00 0.00 H new HETATM 0 HM2A M2L A 370 -19.845 10.688 -6.615 1.00 0.00 H new HETATM 0 HM1B M2L A 370 -17.700 12.265 -6.563 1.00 0.00 H new HETATM 0 HM1A M2L A 370 -16.149 11.463 -6.218 1.00 0.00 H new HETATM 0 HN M2L A 370 -15.106 12.122 -1.559 1.00 0.00 H new HETATM 0 HM2 M2L A 370 -18.905 9.787 -7.828 1.00 0.00 H new HETATM 0 HM1 M2L A 370 -17.002 11.132 -7.745 1.00 0.00 H new HETATM 0 HEA M2L A 370 -18.755 9.550 -4.230 1.00 0.00 H new HETATM 0 HE M2L A 370 -18.646 11.292 -4.387 1.00 0.00 H new HETATM 0 HDA M2L A 370 -16.117 11.084 -4.120 1.00 0.00 H new HETATM 0 HD M2L A 370 -16.344 9.380 -3.782 1.00 0.00 H new HETATM 0 HBA M2L A 370 -18.697 12.151 -1.926 1.00 0.00 H new HETATM 0 HB M2L A 370 -17.337 12.762 -2.847 1.00 0.00 H new HETATM 0 HA M2L A 370 -17.266 13.768 -0.654 1.00 0.00 H new ATOM 1164 N SER A 371 -18.762 12.376 0.951 1.00 0.00 N ATOM 1165 CA SER A 371 -19.496 11.694 2.017 1.00 0.00 C ATOM 1166 C SER A 371 -19.882 10.267 1.595 1.00 0.00 C ATOM 1167 O SER A 371 -19.856 9.336 2.403 1.00 0.00 O ATOM 1168 CB SER A 371 -20.739 12.528 2.361 1.00 0.00 C ATOM 1169 OG SER A 371 -21.387 13.009 1.183 1.00 0.00 O ATOM 0 H SER A 371 -19.267 13.169 0.554 1.00 0.00 H new ATOM 0 HA SER A 371 -18.863 11.602 2.900 1.00 0.00 H new ATOM 0 HB2 SER A 371 -21.436 11.922 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 371 -20.451 13.371 2.989 1.00 0.00 H new ATOM 0 HG SER A 371 -22.175 13.534 1.435 1.00 0.00 H new ATOM 1175 N LYS A 372 -20.169 10.080 0.299 1.00 0.00 N ATOM 1176 CA LYS A 372 -20.524 8.782 -0.282 1.00 0.00 C ATOM 1177 C LYS A 372 -19.362 7.783 -0.207 1.00 0.00 C ATOM 1178 O LYS A 372 -19.606 6.576 -0.271 1.00 0.00 O ATOM 1179 CB LYS A 372 -21.014 8.961 -1.734 1.00 0.00 C ATOM 1180 CG LYS A 372 -22.500 9.342 -1.870 1.00 0.00 C ATOM 1181 CD LYS A 372 -22.888 10.695 -1.248 1.00 0.00 C ATOM 1182 CE LYS A 372 -24.377 11.036 -1.442 1.00 0.00 C ATOM 1183 NZ LYS A 372 -24.743 11.347 -2.852 1.00 0.00 N ATOM 0 H LYS A 372 -20.160 10.838 -0.383 1.00 0.00 H new ATOM 0 HA LYS A 372 -21.338 8.364 0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 372 -20.410 9.731 -2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 372 -20.840 8.033 -2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 372 -22.759 9.359 -2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 372 -23.103 8.561 -1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 372 -22.660 10.679 -0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 372 -22.279 11.482 -1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 372 -24.981 10.197 -1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 372 -24.629 11.890 -0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 -25.758 11.567 -2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 -24.193 12.166 -3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 -24.534 10.525 -3.454 1.00 0.00 H new ATOM 1197 N LYS A 373 -18.111 8.252 -0.065 1.00 0.00 N ATOM 1198 CA LYS A 373 -16.952 7.362 0.048 1.00 0.00 C ATOM 1199 C LYS A 373 -17.059 6.460 1.284 1.00 0.00 C ATOM 1200 O LYS A 373 -16.537 5.342 1.250 1.00 0.00 O ATOM 1201 CB LYS A 373 -15.646 8.177 0.053 1.00 0.00 C ATOM 1202 CG LYS A 373 -14.342 7.350 -0.004 1.00 0.00 C ATOM 1203 CD LYS A 373 -14.042 6.624 -1.333 1.00 0.00 C ATOM 1204 CE LYS A 373 -14.781 5.303 -1.636 1.00 0.00 C ATOM 1205 NZ LYS A 373 -14.618 4.264 -0.576 1.00 0.00 N ATOM 0 H LYS A 373 -17.880 9.245 -0.026 1.00 0.00 H new ATOM 0 HA LYS A 373 -16.937 6.708 -0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -15.661 8.858 -0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -15.626 8.792 0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -13.507 8.015 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -14.376 6.605 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -14.258 7.318 -2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -12.972 6.419 -1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -15.843 5.513 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -14.417 4.903 -2.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 -14.834 3.327 -0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 -13.638 4.275 -0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 -15.268 4.465 0.210 1.00 0.00 H new ATOM 1219 N GLY A 374 -17.714 6.906 2.359 1.00 0.00 N ATOM 1220 CA GLY A 374 -17.835 6.152 3.596 1.00 0.00 C ATOM 1221 C GLY A 374 -18.410 7.060 4.671 1.00 0.00 C ATOM 1222 O GLY A 374 -17.725 8.037 5.041 1.00 0.00 O ATOM 1223 OXT GLY A 374 -19.541 6.794 5.134 1.00 0.00 O ATOM 0 H GLY A 374 -18.179 7.813 2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 374 -18.481 5.286 3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 374 -16.860 5.774 3.904 1.00 0.00 H new TER 1227 GLY A 374