USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 795 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 98 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0315) USER MOD Set 1.2: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 33 HIS : no HD1:sc= -1.59 K(o=-1.9,f=-4.9!) USER MOD Set 2.2: A 52 ASN : amide:sc= -0.335 K(o=-1.9,f=-6.6!) USER MOD Set 3.1: A 30 SER OG : rot -129:sc= -0.017 USER MOD Set 3.2: A 74 ASN : amide:sc= 0.382 K(o=0.37,f=-0.43) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.6!) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0344 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00678 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -145:sc= -1.21 (180deg=-3.76) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.664 F(o=-2.8!,f=-0.66) USER MOD Single : A 49 SER OG : rot -78:sc= -0.525! USER MOD Single : A 50 THR OG1 : rot 102:sc= 0.366 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 100:sc= -0.224 USER MOD Single : A 63 SER OG : rot -44:sc= 0.21 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.35 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.1 K(o=0.1,f=-1.5!) USER MOD Single : A 78 THR OG1 : rot -170:sc= -0.267 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.14 K(o=-0.14,f=-3.3) USER MOD Single : A 83 MET CE :methyl 145:sc= -4.56 (180deg=-6.47!) USER MOD Single : A 84 ASN : amide:sc= -0.0443 K(o=-0.044,f=-2.5!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 94 TYR OH : rot 135:sc= 0.514! USER MOD Single : A 95 TYR OH : rot 180:sc= -0.182 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.0663 K(o=-0.066,f=-1.6!) USER MOD Single : A 111 THR OG1 : rot 57:sc= 0.123 USER MOD Single : A 112 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.76) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 -9.234 -8.905 6.893 1.00 0.00 N ATOM 16 CA VAL A 2 -8.413 -9.647 5.942 1.00 0.00 C ATOM 17 C VAL A 2 -6.929 -9.430 6.222 1.00 0.00 C ATOM 18 O VAL A 2 -6.535 -8.405 6.780 1.00 0.00 O ATOM 19 CB VAL A 2 -8.726 -9.242 4.477 1.00 0.00 C ATOM 20 CG1 VAL A 2 -10.113 -8.629 4.369 1.00 0.00 C ATOM 21 CG2 VAL A 2 -7.680 -8.278 3.930 1.00 0.00 C ATOM 0 HA VAL A 2 -8.654 -10.703 6.068 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.698 -10.150 3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.309 -8.353 3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.858 -9.353 4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.168 -7.740 4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.930 -8.015 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -7.662 -7.376 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.699 -8.753 3.955 1.00 0.00 H new ATOM 31 N GLN A 3 -6.111 -10.394 5.816 1.00 0.00 N ATOM 32 CA GLN A 3 -4.671 -10.299 6.010 1.00 0.00 C ATOM 33 C GLN A 3 -3.943 -10.501 4.688 1.00 0.00 C ATOM 34 O GLN A 3 -4.487 -11.084 3.751 1.00 0.00 O ATOM 35 CB GLN A 3 -4.188 -11.318 7.041 1.00 0.00 C ATOM 36 CG GLN A 3 -3.043 -10.801 7.897 1.00 0.00 C ATOM 37 CD GLN A 3 -2.192 -11.916 8.471 1.00 0.00 C ATOM 38 OE1 GLN A 3 -2.671 -12.741 9.250 1.00 0.00 O ATOM 39 NE2 GLN A 3 -0.920 -11.948 8.089 1.00 0.00 N ATOM 0 H GLN A 3 -6.420 -11.248 5.352 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.446 -9.301 6.387 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.021 -11.595 7.687 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -3.869 -12.224 6.526 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.415 -10.142 7.297 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.447 -10.201 8.713 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.564 -11.245 7.442 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.299 -12.676 8.443 1.00 0.00 H new ATOM 48 N LEU A 4 -2.718 -9.995 4.611 1.00 0.00 N ATOM 49 CA LEU A 4 -1.927 -10.098 3.393 1.00 0.00 C ATOM 50 C LEU A 4 -0.510 -10.578 3.692 1.00 0.00 C ATOM 51 O LEU A 4 -0.131 -10.740 4.852 1.00 0.00 O ATOM 52 CB LEU A 4 -1.890 -8.740 2.692 1.00 0.00 C ATOM 53 CG LEU A 4 -2.889 -7.713 3.234 1.00 0.00 C ATOM 54 CD1 LEU A 4 -2.462 -6.307 2.865 1.00 0.00 C ATOM 55 CD2 LEU A 4 -4.291 -7.995 2.715 1.00 0.00 C ATOM 0 H LEU A 4 -2.252 -9.510 5.378 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.394 -10.833 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.884 -8.329 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.083 -8.889 1.630 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.903 -7.797 4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.184 -5.592 3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.480 -6.102 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.414 -6.214 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.983 -7.253 3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.293 -7.945 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.603 -8.990 3.033 1.00 0.00 H new ATOM 67 N GLN A 5 0.266 -10.806 2.637 1.00 0.00 N ATOM 68 CA GLN A 5 1.642 -11.270 2.782 1.00 0.00 C ATOM 69 C GLN A 5 2.578 -10.486 1.870 1.00 0.00 C ATOM 70 O GLN A 5 2.447 -10.528 0.647 1.00 0.00 O ATOM 71 CB GLN A 5 1.741 -12.768 2.470 1.00 0.00 C ATOM 72 CG GLN A 5 0.393 -13.446 2.276 1.00 0.00 C ATOM 73 CD GLN A 5 0.429 -14.522 1.208 1.00 0.00 C ATOM 74 OE1 GLN A 5 1.177 -14.424 0.237 1.00 0.00 O ATOM 75 NE2 GLN A 5 -0.383 -15.557 1.385 1.00 0.00 N ATOM 0 H GLN A 5 -0.035 -10.677 1.671 1.00 0.00 H new ATOM 0 HA GLN A 5 1.945 -11.104 3.816 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.338 -12.903 1.568 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.273 -13.264 3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.073 -13.887 3.220 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.351 -12.696 2.006 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.987 -15.597 2.206 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.403 -16.312 0.700 1.00 0.00 H new ATOM 84 N ALA A 6 3.522 -9.768 2.472 1.00 0.00 N ATOM 85 CA ALA A 6 4.477 -8.971 1.711 1.00 0.00 C ATOM 86 C ALA A 6 5.878 -9.569 1.780 1.00 0.00 C ATOM 87 O ALA A 6 6.315 -10.036 2.833 1.00 0.00 O ATOM 88 CB ALA A 6 4.485 -7.537 2.219 1.00 0.00 C ATOM 0 H ALA A 6 3.645 -9.722 3.483 1.00 0.00 H new ATOM 0 HA ALA A 6 4.165 -8.975 0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.202 -6.951 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.490 -7.106 2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.769 -7.525 3.271 1.00 0.00 H new ATOM 94 N SER A 7 6.579 -9.546 0.649 1.00 0.00 N ATOM 95 CA SER A 7 7.934 -10.081 0.573 1.00 0.00 C ATOM 96 C SER A 7 8.604 -9.674 -0.737 1.00 0.00 C ATOM 97 O SER A 7 8.012 -8.971 -1.556 1.00 0.00 O ATOM 98 CB SER A 7 7.913 -11.606 0.702 1.00 0.00 C ATOM 99 OG SER A 7 9.174 -12.102 1.119 1.00 0.00 O ATOM 0 H SER A 7 6.229 -9.162 -0.229 1.00 0.00 H new ATOM 0 HA SER A 7 8.511 -9.665 1.399 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.147 -11.903 1.419 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.643 -12.051 -0.256 1.00 0.00 H new ATOM 0 HG SER A 7 9.133 -13.078 1.195 1.00 0.00 H new ATOM 105 N GLY A 8 9.842 -10.119 -0.927 1.00 0.00 N ATOM 106 CA GLY A 8 10.571 -9.789 -2.139 1.00 0.00 C ATOM 107 C GLY A 8 11.699 -8.808 -1.887 1.00 0.00 C ATOM 108 O GLY A 8 12.511 -8.542 -2.775 1.00 0.00 O ATOM 0 H GLY A 8 10.353 -10.702 -0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.978 -10.702 -2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.882 -9.366 -2.870 1.00 0.00 H new ATOM 112 N GLY A 9 11.751 -8.271 -0.672 1.00 0.00 N ATOM 113 CA GLY A 9 12.791 -7.322 -0.322 1.00 0.00 C ATOM 114 C GLY A 9 14.170 -7.945 -0.331 1.00 0.00 C ATOM 115 O GLY A 9 14.311 -9.159 -0.477 1.00 0.00 O ATOM 0 H GLY A 9 11.090 -8.477 0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.768 -6.488 -1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.587 -6.913 0.667 1.00 0.00 H new ATOM 119 N GLY A 10 15.192 -7.110 -0.181 1.00 0.00 N ATOM 120 CA GLY A 10 16.557 -7.604 -0.181 1.00 0.00 C ATOM 121 C GLY A 10 17.571 -6.539 0.190 1.00 0.00 C ATOM 122 O GLY A 10 17.208 -5.420 0.557 1.00 0.00 O ATOM 0 H GLY A 10 15.100 -6.101 -0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.637 -8.435 0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.796 -7.997 -1.169 1.00 0.00 H new ATOM 126 N LEU A 11 18.849 -6.895 0.098 1.00 0.00 N ATOM 127 CA LEU A 11 19.933 -5.975 0.425 1.00 0.00 C ATOM 128 C LEU A 11 20.493 -5.329 -0.838 1.00 0.00 C ATOM 129 O LEU A 11 21.018 -6.013 -1.717 1.00 0.00 O ATOM 130 CB LEU A 11 21.046 -6.715 1.169 1.00 0.00 C ATOM 131 CG LEU A 11 21.531 -6.040 2.453 1.00 0.00 C ATOM 132 CD1 LEU A 11 21.218 -6.908 3.662 1.00 0.00 C ATOM 133 CD2 LEU A 11 23.024 -5.753 2.373 1.00 0.00 C ATOM 0 H LEU A 11 19.160 -7.819 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 11 19.534 -5.190 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 11 20.693 -7.717 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 11 21.895 -6.832 0.496 1.00 0.00 H new ATOM 0 HG LEU A 11 21.004 -5.092 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 11 21.570 -6.412 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 11 20.141 -7.064 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 11 21.718 -7.871 3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 11 23.352 -5.273 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 11 23.568 -6.688 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 11 23.223 -5.092 1.529 1.00 0.00 H new ATOM 145 N VAL A 12 20.379 -4.008 -0.921 1.00 0.00 N ATOM 146 CA VAL A 12 20.873 -3.266 -2.073 1.00 0.00 C ATOM 147 C VAL A 12 21.972 -2.291 -1.667 1.00 0.00 C ATOM 148 O VAL A 12 22.400 -2.267 -0.514 1.00 0.00 O ATOM 149 CB VAL A 12 19.741 -2.482 -2.769 1.00 0.00 C ATOM 150 CG1 VAL A 12 18.561 -3.392 -3.057 1.00 0.00 C ATOM 151 CG2 VAL A 12 19.307 -1.292 -1.923 1.00 0.00 C ATOM 0 H VAL A 12 19.947 -3.428 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 12 21.278 -4.000 -2.770 1.00 0.00 H new ATOM 0 HB VAL A 12 20.123 -2.103 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 12 17.773 -2.821 -3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.880 -4.206 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 12 18.182 -3.804 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 12 18.508 -0.754 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 12 18.947 -1.645 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 12 20.155 -0.624 -1.772 1.00 0.00 H new ATOM 161 N GLN A 13 22.415 -1.481 -2.621 1.00 0.00 N ATOM 162 CA GLN A 13 23.452 -0.490 -2.365 1.00 0.00 C ATOM 163 C GLN A 13 22.894 0.915 -2.567 1.00 0.00 C ATOM 164 O GLN A 13 22.000 1.114 -3.388 1.00 0.00 O ATOM 165 CB GLN A 13 24.650 -0.722 -3.288 1.00 0.00 C ATOM 166 CG GLN A 13 25.303 -2.083 -3.108 1.00 0.00 C ATOM 167 CD GLN A 13 25.454 -2.834 -4.416 1.00 0.00 C ATOM 168 OE1 GLN A 13 26.479 -2.730 -5.090 1.00 0.00 O ATOM 169 NE2 GLN A 13 24.432 -3.598 -4.782 1.00 0.00 N ATOM 0 H GLN A 13 22.071 -1.492 -3.581 1.00 0.00 H new ATOM 0 HA GLN A 13 23.786 -0.591 -1.332 1.00 0.00 H new ATOM 0 HB2 GLN A 13 24.326 -0.618 -4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.393 0.055 -3.107 1.00 0.00 H new ATOM 0 HG2 GLN A 13 26.285 -1.954 -2.652 1.00 0.00 H new ATOM 0 HG3 GLN A 13 24.707 -2.680 -2.417 1.00 0.00 H new ATOM 0 HE21 GLN A 13 23.601 -3.655 -4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 13 24.477 -4.128 -5.652 1.00 0.00 H new ATOM 178 N PRO A 14 23.404 1.910 -1.815 1.00 0.00 N ATOM 179 CA PRO A 14 22.936 3.298 -1.920 1.00 0.00 C ATOM 180 C PRO A 14 22.880 3.787 -3.364 1.00 0.00 C ATOM 181 O PRO A 14 23.861 4.312 -3.893 1.00 0.00 O ATOM 182 CB PRO A 14 23.981 4.082 -1.126 1.00 0.00 C ATOM 183 CG PRO A 14 24.504 3.108 -0.129 1.00 0.00 C ATOM 184 CD PRO A 14 24.468 1.762 -0.802 1.00 0.00 C ATOM 0 HA PRO A 14 21.919 3.416 -1.545 1.00 0.00 H new ATOM 0 HB2 PRO A 14 24.776 4.451 -1.774 1.00 0.00 H new ATOM 0 HB3 PRO A 14 23.538 4.950 -0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 14 25.519 3.366 0.172 1.00 0.00 H new ATOM 0 HG3 PRO A 14 23.893 3.109 0.774 1.00 0.00 H new ATOM 0 HD2 PRO A 14 25.426 1.517 -1.260 1.00 0.00 H new ATOM 0 HD3 PRO A 14 24.240 0.965 -0.094 1.00 0.00 H new ATOM 192 N GLY A 15 21.722 3.612 -3.995 1.00 0.00 N ATOM 193 CA GLY A 15 21.552 4.040 -5.372 1.00 0.00 C ATOM 194 C GLY A 15 21.204 2.894 -6.306 1.00 0.00 C ATOM 195 O GLY A 15 21.351 3.012 -7.522 1.00 0.00 O ATOM 0 H GLY A 15 20.898 3.181 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 15 20.765 4.793 -5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 15 22.470 4.517 -5.715 1.00 0.00 H new ATOM 199 N GLY A 16 20.739 1.784 -5.736 1.00 0.00 N ATOM 200 CA GLY A 16 20.375 0.632 -6.540 1.00 0.00 C ATOM 201 C GLY A 16 18.911 0.643 -6.935 1.00 0.00 C ATOM 202 O GLY A 16 18.360 1.693 -7.269 1.00 0.00 O ATOM 0 H GLY A 16 20.608 1.663 -4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 16 20.991 0.610 -7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 16 20.592 -0.280 -5.983 1.00 0.00 H new ATOM 206 N SER A 17 18.278 -0.526 -6.896 1.00 0.00 N ATOM 207 CA SER A 17 16.869 -0.646 -7.251 1.00 0.00 C ATOM 208 C SER A 17 16.324 -2.014 -6.858 1.00 0.00 C ATOM 209 O SER A 17 16.890 -3.045 -7.222 1.00 0.00 O ATOM 210 CB SER A 17 16.680 -0.423 -8.753 1.00 0.00 C ATOM 211 OG SER A 17 17.828 -0.830 -9.478 1.00 0.00 O ATOM 0 H SER A 17 18.720 -1.404 -6.622 1.00 0.00 H new ATOM 0 HA SER A 17 16.316 0.117 -6.704 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.810 -0.981 -9.100 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.480 0.631 -8.945 1.00 0.00 H new ATOM 0 HG SER A 17 17.681 -0.679 -10.435 1.00 0.00 H new ATOM 217 N LEU A 18 15.225 -2.019 -6.109 1.00 0.00 N ATOM 218 CA LEU A 18 14.610 -3.267 -5.667 1.00 0.00 C ATOM 219 C LEU A 18 13.105 -3.265 -5.915 1.00 0.00 C ATOM 220 O LEU A 18 12.410 -2.307 -5.578 1.00 0.00 O ATOM 221 CB LEU A 18 14.886 -3.496 -4.180 1.00 0.00 C ATOM 222 CG LEU A 18 15.343 -4.908 -3.812 1.00 0.00 C ATOM 223 CD1 LEU A 18 15.655 -4.994 -2.328 1.00 0.00 C ATOM 224 CD2 LEU A 18 14.283 -5.932 -4.193 1.00 0.00 C ATOM 0 H LEU A 18 14.743 -1.176 -5.796 1.00 0.00 H new ATOM 0 HA LEU A 18 15.051 -4.077 -6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.649 -2.788 -3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.980 -3.267 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 18 16.252 -5.131 -4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 18 15.979 -6.005 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 18 16.449 -4.289 -2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.761 -4.750 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.628 -6.930 -3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.357 -5.712 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.104 -5.888 -5.267 1.00 0.00 H new ATOM 236 N ARG A 19 12.607 -4.352 -6.494 1.00 0.00 N ATOM 237 CA ARG A 19 11.182 -4.488 -6.779 1.00 0.00 C ATOM 238 C ARG A 19 10.532 -5.441 -5.782 1.00 0.00 C ATOM 239 O ARG A 19 10.740 -6.653 -5.847 1.00 0.00 O ATOM 240 CB ARG A 19 10.973 -5.001 -8.204 1.00 0.00 C ATOM 241 CG ARG A 19 9.518 -4.999 -8.650 1.00 0.00 C ATOM 242 CD ARG A 19 9.381 -5.392 -10.113 1.00 0.00 C ATOM 243 NE ARG A 19 10.524 -4.954 -10.913 1.00 0.00 N ATOM 244 CZ ARG A 19 10.411 -4.308 -12.069 1.00 0.00 C ATOM 245 NH1 ARG A 19 9.212 -4.016 -12.557 1.00 0.00 N ATOM 246 NH2 ARG A 19 11.497 -3.949 -12.739 1.00 0.00 N ATOM 0 H ARG A 19 13.170 -5.154 -6.776 1.00 0.00 H new ATOM 0 HA ARG A 19 10.715 -3.508 -6.685 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.555 -4.386 -8.891 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.364 -6.016 -8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.946 -5.691 -8.032 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.091 -4.008 -8.497 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.281 -6.475 -10.189 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.468 -4.958 -10.520 1.00 0.00 H new ATOM 0 HE ARG A 19 11.461 -5.156 -10.564 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.373 -4.287 -12.045 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.130 -3.520 -13.445 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.421 -4.169 -12.368 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.408 -3.453 -13.626 1.00 0.00 H new ATOM 260 N VAL A 20 9.753 -4.890 -4.856 1.00 0.00 N ATOM 261 CA VAL A 20 9.087 -5.704 -3.846 1.00 0.00 C ATOM 262 C VAL A 20 7.593 -5.838 -4.144 1.00 0.00 C ATOM 263 O VAL A 20 6.989 -4.946 -4.740 1.00 0.00 O ATOM 264 CB VAL A 20 9.302 -5.120 -2.432 1.00 0.00 C ATOM 265 CG1 VAL A 20 10.738 -4.640 -2.269 1.00 0.00 C ATOM 266 CG2 VAL A 20 8.326 -3.985 -2.156 1.00 0.00 C ATOM 0 H VAL A 20 9.568 -3.889 -4.784 1.00 0.00 H new ATOM 0 HA VAL A 20 9.533 -6.698 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 20 9.114 -5.911 -1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.874 -4.231 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.420 -5.477 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.949 -3.867 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.499 -3.592 -1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.475 -3.191 -2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.304 -4.358 -2.228 1.00 0.00 H new ATOM 276 N SER A 21 7.005 -6.966 -3.742 1.00 0.00 N ATOM 277 CA SER A 21 5.585 -7.220 -3.986 1.00 0.00 C ATOM 278 C SER A 21 4.862 -7.656 -2.714 1.00 0.00 C ATOM 279 O SER A 21 5.494 -8.008 -1.719 1.00 0.00 O ATOM 280 CB SER A 21 5.420 -8.289 -5.068 1.00 0.00 C ATOM 281 OG SER A 21 5.394 -9.588 -4.502 1.00 0.00 O ATOM 0 H SER A 21 7.489 -7.716 -3.248 1.00 0.00 H new ATOM 0 HA SER A 21 5.136 -6.286 -4.323 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.498 -8.112 -5.621 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.240 -8.217 -5.783 1.00 0.00 H new ATOM 0 HG SER A 21 5.286 -10.253 -5.214 1.00 0.00 H new ATOM 287 N CYS A 22 3.529 -7.626 -2.757 1.00 0.00 N ATOM 288 CA CYS A 22 2.713 -8.016 -1.609 1.00 0.00 C ATOM 289 C CYS A 22 1.381 -8.611 -2.047 1.00 0.00 C ATOM 290 O CYS A 22 0.540 -7.919 -2.619 1.00 0.00 O ATOM 291 CB CYS A 22 2.456 -6.811 -0.706 1.00 0.00 C ATOM 292 SG CYS A 22 1.446 -7.184 0.763 1.00 0.00 S ATOM 0 H CYS A 22 2.993 -7.336 -3.575 1.00 0.00 H new ATOM 0 HA CYS A 22 3.267 -8.776 -1.058 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.413 -6.403 -0.381 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.959 -6.034 -1.287 1.00 0.00 H new ATOM 297 N ALA A 23 1.185 -9.893 -1.757 1.00 0.00 N ATOM 298 CA ALA A 23 -0.056 -10.567 -2.108 1.00 0.00 C ATOM 299 C ALA A 23 -1.104 -10.358 -1.022 1.00 0.00 C ATOM 300 O ALA A 23 -0.840 -9.698 -0.016 1.00 0.00 O ATOM 301 CB ALA A 23 0.186 -12.052 -2.333 1.00 0.00 C ATOM 0 H ALA A 23 1.868 -10.483 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.429 -10.134 -3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.754 -12.538 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.901 -12.185 -3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.584 -12.498 -1.422 1.00 0.00 H new ATOM 307 N ALA A 24 -2.292 -10.918 -1.224 1.00 0.00 N ATOM 308 CA ALA A 24 -3.370 -10.784 -0.252 1.00 0.00 C ATOM 309 C ALA A 24 -4.475 -11.806 -0.502 1.00 0.00 C ATOM 310 O ALA A 24 -4.699 -12.227 -1.637 1.00 0.00 O ATOM 311 CB ALA A 24 -3.936 -9.372 -0.281 1.00 0.00 C ATOM 0 H ALA A 24 -2.532 -11.467 -2.049 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.955 -10.978 0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.740 -9.287 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.148 -8.659 -0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.326 -9.157 -1.276 1.00 0.00 H new ATOM 317 N SER A 25 -5.160 -12.200 0.568 1.00 0.00 N ATOM 318 CA SER A 25 -6.243 -13.172 0.471 1.00 0.00 C ATOM 319 C SER A 25 -7.487 -12.674 1.199 1.00 0.00 C ATOM 320 O SER A 25 -7.411 -12.226 2.343 1.00 0.00 O ATOM 321 CB SER A 25 -5.801 -14.517 1.053 1.00 0.00 C ATOM 322 OG SER A 25 -4.391 -14.649 1.020 1.00 0.00 O ATOM 0 H SER A 25 -4.983 -11.860 1.513 1.00 0.00 H new ATOM 0 HA SER A 25 -6.489 -13.302 -0.583 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.154 -14.605 2.081 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.259 -15.329 0.488 1.00 0.00 H new ATOM 0 HG SER A 25 -4.135 -15.516 1.399 1.00 0.00 H new ATOM 328 N GLY A 26 -8.634 -12.759 0.528 1.00 0.00 N ATOM 329 CA GLY A 26 -9.878 -12.316 1.128 1.00 0.00 C ATOM 330 C GLY A 26 -10.679 -11.412 0.211 1.00 0.00 C ATOM 331 O GLY A 26 -11.910 -11.432 0.233 1.00 0.00 O ATOM 0 H GLY A 26 -8.722 -13.127 -0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.480 -13.186 1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.661 -11.786 2.056 1.00 0.00 H new ATOM 335 N PHE A 27 -9.982 -10.616 -0.595 1.00 0.00 N ATOM 336 CA PHE A 27 -10.643 -9.701 -1.519 1.00 0.00 C ATOM 337 C PHE A 27 -9.786 -9.450 -2.756 1.00 0.00 C ATOM 338 O PHE A 27 -8.725 -10.052 -2.922 1.00 0.00 O ATOM 339 CB PHE A 27 -10.951 -8.373 -0.817 1.00 0.00 C ATOM 340 CG PHE A 27 -9.739 -7.514 -0.578 1.00 0.00 C ATOM 341 CD1 PHE A 27 -9.331 -6.585 -1.525 1.00 0.00 C ATOM 342 CD2 PHE A 27 -9.009 -7.630 0.595 1.00 0.00 C ATOM 343 CE1 PHE A 27 -8.222 -5.794 -1.308 1.00 0.00 C ATOM 344 CE2 PHE A 27 -7.898 -6.838 0.817 1.00 0.00 C ATOM 345 CZ PHE A 27 -7.504 -5.920 -0.136 1.00 0.00 C ATOM 0 H PHE A 27 -8.963 -10.586 -0.627 1.00 0.00 H new ATOM 0 HA PHE A 27 -11.576 -10.163 -1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -11.668 -7.813 -1.418 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.431 -8.582 0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.889 -6.480 -2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.312 -8.347 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.916 -5.076 -2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.339 -6.937 1.735 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.635 -5.301 0.035 1.00 0.00 H new ATOM 355 N THR A 28 -10.253 -8.548 -3.615 1.00 0.00 N ATOM 356 CA THR A 28 -9.531 -8.202 -4.831 1.00 0.00 C ATOM 357 C THR A 28 -8.293 -7.369 -4.500 1.00 0.00 C ATOM 358 O THR A 28 -7.383 -7.850 -3.825 1.00 0.00 O ATOM 359 CB THR A 28 -10.431 -7.431 -5.817 1.00 0.00 C ATOM 360 OG1 THR A 28 -11.781 -7.901 -5.720 1.00 0.00 O ATOM 361 CG2 THR A 28 -9.934 -7.590 -7.245 1.00 0.00 C ATOM 0 H THR A 28 -11.131 -8.044 -3.489 1.00 0.00 H new ATOM 0 HA THR A 28 -9.220 -9.133 -5.306 1.00 0.00 H new ATOM 0 HB THR A 28 -10.395 -6.374 -5.554 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.346 -7.405 -6.348 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.586 -7.037 -7.921 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.918 -7.202 -7.322 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.941 -8.645 -7.517 1.00 0.00 H new ATOM 369 N PHE A 29 -8.260 -6.117 -4.966 1.00 0.00 N ATOM 370 CA PHE A 29 -7.128 -5.233 -4.702 1.00 0.00 C ATOM 371 C PHE A 29 -7.364 -3.847 -5.290 1.00 0.00 C ATOM 372 O PHE A 29 -7.278 -2.840 -4.587 1.00 0.00 O ATOM 373 CB PHE A 29 -5.841 -5.823 -5.281 1.00 0.00 C ATOM 374 CG PHE A 29 -4.685 -5.794 -4.322 1.00 0.00 C ATOM 375 CD1 PHE A 29 -4.675 -6.610 -3.202 1.00 0.00 C ATOM 376 CD2 PHE A 29 -3.610 -4.951 -4.541 1.00 0.00 C ATOM 377 CE1 PHE A 29 -3.613 -6.584 -2.320 1.00 0.00 C ATOM 378 CE2 PHE A 29 -2.545 -4.920 -3.661 1.00 0.00 C ATOM 379 CZ PHE A 29 -2.547 -5.738 -2.549 1.00 0.00 C ATOM 0 H PHE A 29 -9.002 -5.697 -5.525 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.027 -5.140 -3.621 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.027 -6.854 -5.583 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.570 -5.271 -6.181 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.507 -7.273 -3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.603 -4.310 -5.410 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.617 -7.226 -1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.712 -4.257 -3.843 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.716 -5.716 -1.860 1.00 0.00 H new ATOM 389 N SER A 30 -7.649 -3.805 -6.586 1.00 0.00 N ATOM 390 CA SER A 30 -7.887 -2.547 -7.282 1.00 0.00 C ATOM 391 C SER A 30 -9.036 -1.767 -6.649 1.00 0.00 C ATOM 392 O SER A 30 -8.888 -0.592 -6.319 1.00 0.00 O ATOM 393 CB SER A 30 -8.188 -2.808 -8.758 1.00 0.00 C ATOM 394 OG SER A 30 -7.008 -2.735 -9.540 1.00 0.00 O ATOM 0 H SER A 30 -7.721 -4.632 -7.178 1.00 0.00 H new ATOM 0 HA SER A 30 -6.982 -1.945 -7.198 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.643 -3.792 -8.871 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.913 -2.079 -9.119 1.00 0.00 H new ATOM 0 HG SER A 30 -7.158 -2.139 -10.304 1.00 0.00 H new ATOM 400 N SER A 31 -10.182 -2.424 -6.492 1.00 0.00 N ATOM 401 CA SER A 31 -11.365 -1.791 -5.910 1.00 0.00 C ATOM 402 C SER A 31 -11.047 -1.088 -4.590 1.00 0.00 C ATOM 403 O SER A 31 -11.772 -0.184 -4.173 1.00 0.00 O ATOM 404 CB SER A 31 -12.466 -2.830 -5.690 1.00 0.00 C ATOM 405 OG SER A 31 -13.734 -2.211 -5.571 1.00 0.00 O ATOM 0 H SER A 31 -10.318 -3.399 -6.761 1.00 0.00 H new ATOM 0 HA SER A 31 -11.709 -1.035 -6.616 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.478 -3.534 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.253 -3.405 -4.789 1.00 0.00 H new ATOM 0 HG SER A 31 -14.421 -2.896 -5.433 1.00 0.00 H new ATOM 411 N TYR A 32 -9.970 -1.506 -3.934 1.00 0.00 N ATOM 412 CA TYR A 32 -9.575 -0.912 -2.662 1.00 0.00 C ATOM 413 C TYR A 32 -8.330 -0.045 -2.813 1.00 0.00 C ATOM 414 O TYR A 32 -7.598 -0.155 -3.797 1.00 0.00 O ATOM 415 CB TYR A 32 -9.313 -2.005 -1.626 1.00 0.00 C ATOM 416 CG TYR A 32 -10.572 -2.577 -1.016 1.00 0.00 C ATOM 417 CD1 TYR A 32 -11.140 -2.009 0.117 1.00 0.00 C ATOM 418 CD2 TYR A 32 -11.191 -3.689 -1.572 1.00 0.00 C ATOM 419 CE1 TYR A 32 -12.289 -2.533 0.679 1.00 0.00 C ATOM 420 CE2 TYR A 32 -12.340 -4.219 -1.018 1.00 0.00 C ATOM 421 CZ TYR A 32 -12.885 -3.638 0.107 1.00 0.00 C ATOM 422 OH TYR A 32 -14.029 -4.163 0.662 1.00 0.00 O ATOM 0 H TYR A 32 -9.356 -2.252 -4.261 1.00 0.00 H new ATOM 0 HA TYR A 32 -10.396 -0.278 -2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.749 -2.811 -2.095 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.687 -1.598 -0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.676 -1.143 0.566 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.767 -4.147 -2.453 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.718 -2.080 1.561 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.809 -5.084 -1.464 1.00 0.00 H new ATOM 0 HH TYR A 32 -14.321 -4.938 0.138 1.00 0.00 H new ATOM 432 N HIS A 33 -8.091 0.809 -1.819 1.00 0.00 N ATOM 433 CA HIS A 33 -6.929 1.689 -1.823 1.00 0.00 C ATOM 434 C HIS A 33 -5.802 1.073 -1.002 1.00 0.00 C ATOM 435 O HIS A 33 -5.844 1.076 0.225 1.00 0.00 O ATOM 436 CB HIS A 33 -7.292 3.065 -1.259 1.00 0.00 C ATOM 437 CG HIS A 33 -8.492 3.687 -1.907 1.00 0.00 C ATOM 438 ND1 HIS A 33 -9.660 2.996 -2.152 1.00 0.00 N ATOM 439 CD2 HIS A 33 -8.701 4.947 -2.357 1.00 0.00 C ATOM 440 CE1 HIS A 33 -10.535 3.803 -2.725 1.00 0.00 C ATOM 441 NE2 HIS A 33 -9.978 4.992 -2.860 1.00 0.00 N ATOM 0 H HIS A 33 -8.690 0.908 -0.999 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.595 1.812 -2.853 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.476 2.972 -0.189 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.439 3.733 -1.379 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.995 5.764 -2.326 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.536 3.535 -3.031 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -10.424 5.812 -3.271 1.00 0.00 H new ATOM 450 N MET A 34 -4.804 0.534 -1.685 1.00 0.00 N ATOM 451 CA MET A 34 -3.674 -0.098 -1.015 1.00 0.00 C ATOM 452 C MET A 34 -2.531 0.889 -0.809 1.00 0.00 C ATOM 453 O MET A 34 -2.460 1.920 -1.479 1.00 0.00 O ATOM 454 CB MET A 34 -3.189 -1.301 -1.822 1.00 0.00 C ATOM 455 CG MET A 34 -3.870 -2.601 -1.435 1.00 0.00 C ATOM 456 SD MET A 34 -3.023 -3.453 -0.091 1.00 0.00 S ATOM 457 CE MET A 34 -4.362 -4.444 0.565 1.00 0.00 C ATOM 0 H MET A 34 -4.752 0.521 -2.704 1.00 0.00 H new ATOM 0 HA MET A 34 -4.010 -0.436 -0.035 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.360 -1.111 -2.882 1.00 0.00 H new ATOM 0 HB3 MET A 34 -2.113 -1.409 -1.688 1.00 0.00 H new ATOM 0 HG2 MET A 34 -4.898 -2.394 -1.138 1.00 0.00 H new ATOM 0 HG3 MET A 34 -3.915 -3.256 -2.305 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.258 -4.526 1.647 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.315 -3.972 0.327 1.00 0.00 H new ATOM 0 HE3 MET A 34 -4.329 -5.439 0.121 1.00 0.00 H new ATOM 467 N ALA A 35 -1.639 0.570 0.128 1.00 0.00 N ATOM 468 CA ALA A 35 -0.502 1.438 0.421 1.00 0.00 C ATOM 469 C ALA A 35 0.710 0.645 0.906 1.00 0.00 C ATOM 470 O ALA A 35 0.567 -0.382 1.576 1.00 0.00 O ATOM 471 CB ALA A 35 -0.896 2.479 1.459 1.00 0.00 C ATOM 0 H ALA A 35 -1.682 -0.278 0.693 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.219 1.937 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.042 3.122 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.718 3.083 1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.210 1.979 2.375 1.00 0.00 H new ATOM 477 N TRP A 36 1.903 1.137 0.563 1.00 0.00 N ATOM 478 CA TRP A 36 3.152 0.489 0.964 1.00 0.00 C ATOM 479 C TRP A 36 3.818 1.251 2.102 1.00 0.00 C ATOM 480 O TRP A 36 4.365 2.335 1.893 1.00 0.00 O ATOM 481 CB TRP A 36 4.118 0.395 -0.220 1.00 0.00 C ATOM 482 CG TRP A 36 3.902 -0.826 -1.051 1.00 0.00 C ATOM 483 CD1 TRP A 36 3.131 -0.923 -2.165 1.00 0.00 C ATOM 484 CD2 TRP A 36 4.464 -2.124 -0.833 1.00 0.00 C ATOM 485 NE1 TRP A 36 3.143 -2.210 -2.640 1.00 0.00 N ATOM 486 CE2 TRP A 36 3.968 -2.964 -1.846 1.00 0.00 C ATOM 487 CE3 TRP A 36 5.334 -2.658 0.123 1.00 0.00 C ATOM 488 CZ2 TRP A 36 4.314 -4.310 -1.930 1.00 0.00 C ATOM 489 CZ3 TRP A 36 5.678 -3.993 0.037 1.00 0.00 C ATOM 490 CH2 TRP A 36 5.169 -4.806 -0.983 1.00 0.00 C ATOM 0 H TRP A 36 2.029 1.983 0.008 1.00 0.00 H new ATOM 0 HA TRP A 36 2.907 -0.517 1.306 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.004 1.280 -0.847 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.142 0.398 0.152 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.587 -0.105 -2.613 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.624 -2.550 -3.450 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.730 -2.038 0.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 3.922 -4.940 -2.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.350 -4.417 0.768 1.00 0.00 H new ATOM 0 HH2 TRP A 36 5.457 -5.846 -1.023 1.00 0.00 H new ATOM 501 N VAL A 37 3.766 0.673 3.301 1.00 0.00 N ATOM 502 CA VAL A 37 4.355 1.286 4.487 1.00 0.00 C ATOM 503 C VAL A 37 5.673 0.614 4.866 1.00 0.00 C ATOM 504 O VAL A 37 5.980 -0.474 4.386 1.00 0.00 O ATOM 505 CB VAL A 37 3.397 1.199 5.699 1.00 0.00 C ATOM 506 CG1 VAL A 37 1.995 1.639 5.319 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.368 -0.211 6.268 1.00 0.00 C ATOM 0 H VAL A 37 3.318 -0.226 3.476 1.00 0.00 H new ATOM 0 HA VAL A 37 4.537 2.331 4.238 1.00 0.00 H new ATOM 0 HB VAL A 37 3.774 1.875 6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.343 1.568 6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.020 2.671 4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.614 0.995 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.688 -0.246 7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.026 -0.906 5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.370 -0.493 6.593 1.00 0.00 H new ATOM 517 N ARG A 38 6.444 1.264 5.737 1.00 0.00 N ATOM 518 CA ARG A 38 7.719 0.708 6.183 1.00 0.00 C ATOM 519 C ARG A 38 8.006 1.094 7.633 1.00 0.00 C ATOM 520 O ARG A 38 7.567 2.142 8.103 1.00 0.00 O ATOM 521 CB ARG A 38 8.859 1.160 5.264 1.00 0.00 C ATOM 522 CG ARG A 38 9.751 2.243 5.850 1.00 0.00 C ATOM 523 CD ARG A 38 9.497 3.583 5.183 1.00 0.00 C ATOM 524 NE ARG A 38 10.006 4.696 5.978 1.00 0.00 N ATOM 525 CZ ARG A 38 10.951 5.530 5.557 1.00 0.00 C ATOM 526 NH1 ARG A 38 11.483 5.377 4.352 1.00 0.00 N ATOM 527 NH2 ARG A 38 11.365 6.517 6.340 1.00 0.00 N ATOM 0 H ARG A 38 6.210 2.169 6.145 1.00 0.00 H new ATOM 0 HA ARG A 38 7.650 -0.379 6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.474 0.295 5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.432 1.525 4.330 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.570 2.327 6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.797 1.964 5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.969 3.594 4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.426 3.711 5.024 1.00 0.00 H new ATOM 0 HE ARG A 38 9.615 4.842 6.909 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.167 4.619 3.747 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.208 6.018 4.030 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.958 6.637 7.268 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.091 7.156 6.015 1.00 0.00 H new ATOM 541 N GLN A 39 8.741 0.237 8.335 1.00 0.00 N ATOM 542 CA GLN A 39 9.081 0.480 9.731 1.00 0.00 C ATOM 543 C GLN A 39 10.588 0.392 9.952 1.00 0.00 C ATOM 544 O GLN A 39 11.183 -0.677 9.822 1.00 0.00 O ATOM 545 CB GLN A 39 8.369 -0.532 10.631 1.00 0.00 C ATOM 546 CG GLN A 39 8.424 -0.175 12.107 1.00 0.00 C ATOM 547 CD GLN A 39 7.262 -0.752 12.892 1.00 0.00 C ATOM 548 OE1 GLN A 39 6.205 0.039 13.051 1.00 0.00 O flip ATOM 549 NE2 GLN A 39 7.312 -1.893 13.351 1.00 0.00 N flip ATOM 0 H GLN A 39 9.113 -0.634 7.958 1.00 0.00 H new ATOM 0 HA GLN A 39 8.752 1.487 9.987 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.326 -0.610 10.323 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.818 -1.514 10.486 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.360 -0.540 12.530 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.427 0.910 12.214 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.143 -2.466 13.205 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.522 -2.266 13.877 1.00 0.00 H new ATOM 558 N ALA A 40 11.196 1.524 10.294 1.00 0.00 N ATOM 559 CA ALA A 40 12.631 1.576 10.542 1.00 0.00 C ATOM 560 C ALA A 40 12.934 1.338 12.019 1.00 0.00 C ATOM 561 O ALA A 40 12.102 1.626 12.880 1.00 0.00 O ATOM 562 CB ALA A 40 13.194 2.917 10.093 1.00 0.00 C ATOM 0 H ALA A 40 10.716 2.417 10.405 1.00 0.00 H new ATOM 0 HA ALA A 40 13.109 0.784 9.965 1.00 0.00 H new ATOM 0 HB1 ALA A 40 14.267 2.943 10.284 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.012 3.050 9.027 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.707 3.720 10.647 1.00 0.00 H new ATOM 618 N LEU A 45 6.484 3.673 11.714 1.00 0.00 N ATOM 619 CA LEU A 45 5.913 3.169 10.465 1.00 0.00 C ATOM 620 C LEU A 45 5.318 4.299 9.628 1.00 0.00 C ATOM 621 O LEU A 45 4.467 5.055 10.094 1.00 0.00 O ATOM 622 CB LEU A 45 4.845 2.109 10.749 1.00 0.00 C ATOM 623 CG LEU A 45 4.310 1.378 9.520 1.00 0.00 C ATOM 624 CD1 LEU A 45 5.274 0.288 9.098 1.00 0.00 C ATOM 625 CD2 LEU A 45 2.938 0.794 9.809 1.00 0.00 C ATOM 0 HA LEU A 45 6.722 2.713 9.895 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.261 1.373 11.437 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.009 2.587 11.260 1.00 0.00 H new ATOM 0 HG LEU A 45 4.215 2.092 8.702 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.881 -0.226 8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.241 0.730 8.857 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.395 -0.426 9.913 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.569 0.276 8.924 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.010 0.090 10.638 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.249 1.597 10.073 1.00 0.00 H new ATOM 637 N GLU A 46 5.774 4.400 8.383 1.00 0.00 N ATOM 638 CA GLU A 46 5.293 5.429 7.465 1.00 0.00 C ATOM 639 C GLU A 46 4.535 4.796 6.305 1.00 0.00 C ATOM 640 O GLU A 46 4.951 3.769 5.777 1.00 0.00 O ATOM 641 CB GLU A 46 6.468 6.241 6.926 1.00 0.00 C ATOM 642 CG GLU A 46 6.069 7.253 5.867 1.00 0.00 C ATOM 643 CD GLU A 46 5.280 8.414 6.439 1.00 0.00 C ATOM 644 OE1 GLU A 46 4.036 8.319 6.492 1.00 0.00 O ATOM 645 OE2 GLU A 46 5.908 9.420 6.833 1.00 0.00 O ATOM 0 H GLU A 46 6.479 3.779 7.985 1.00 0.00 H new ATOM 0 HA GLU A 46 4.618 6.089 8.010 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.949 6.763 7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.208 5.560 6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.965 7.634 5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.474 6.756 5.101 1.00 0.00 H new ATOM 652 N TRP A 47 3.426 5.413 5.904 1.00 0.00 N ATOM 653 CA TRP A 47 2.627 4.890 4.802 1.00 0.00 C ATOM 654 C TRP A 47 3.405 4.951 3.491 1.00 0.00 C ATOM 655 O TRP A 47 3.148 4.171 2.582 1.00 0.00 O ATOM 656 CB TRP A 47 1.280 5.634 4.699 1.00 0.00 C ATOM 657 CG TRP A 47 1.069 6.367 3.406 1.00 0.00 C ATOM 658 CD1 TRP A 47 0.888 5.819 2.168 1.00 0.00 C ATOM 659 CD2 TRP A 47 0.998 7.785 3.229 1.00 0.00 C ATOM 660 NE1 TRP A 47 0.743 6.810 1.231 1.00 0.00 N ATOM 661 CE2 TRP A 47 0.798 8.025 1.857 1.00 0.00 C ATOM 662 CE3 TRP A 47 1.092 8.873 4.096 1.00 0.00 C ATOM 663 CZ2 TRP A 47 0.691 9.310 1.335 1.00 0.00 C ATOM 664 CZ3 TRP A 47 0.984 10.150 3.578 1.00 0.00 C ATOM 665 CH2 TRP A 47 0.785 10.359 2.208 1.00 0.00 C ATOM 0 H TRP A 47 3.063 6.269 6.323 1.00 0.00 H new ATOM 0 HA TRP A 47 2.408 3.842 5.005 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.472 4.915 4.830 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.209 6.346 5.521 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.863 4.760 1.958 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.615 6.665 0.230 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.247 8.721 5.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 0.539 9.474 0.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.054 11.000 4.241 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.704 11.369 1.833 1.00 0.00 H new ATOM 676 N VAL A 48 4.358 5.873 3.411 1.00 0.00 N ATOM 677 CA VAL A 48 5.190 6.037 2.219 1.00 0.00 C ATOM 678 C VAL A 48 4.366 6.287 0.955 1.00 0.00 C ATOM 679 O VAL A 48 4.293 7.419 0.475 1.00 0.00 O ATOM 680 CB VAL A 48 6.114 4.816 1.992 1.00 0.00 C ATOM 681 CG1 VAL A 48 6.642 4.780 0.562 1.00 0.00 C ATOM 682 CG2 VAL A 48 7.271 4.833 2.980 1.00 0.00 C ATOM 0 H VAL A 48 4.577 6.525 4.164 1.00 0.00 H new ATOM 0 HA VAL A 48 5.801 6.920 2.408 1.00 0.00 H new ATOM 0 HB VAL A 48 5.523 3.915 2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.288 3.911 0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.805 4.716 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.211 5.688 0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.911 3.968 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.851 5.746 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.881 4.798 3.997 1.00 0.00 H new ATOM 692 N SER A 49 3.778 5.231 0.390 1.00 0.00 N ATOM 693 CA SER A 49 3.011 5.378 -0.848 1.00 0.00 C ATOM 694 C SER A 49 1.587 4.844 -0.740 1.00 0.00 C ATOM 695 O SER A 49 1.324 3.858 -0.056 1.00 0.00 O ATOM 696 CB SER A 49 3.734 4.668 -1.990 1.00 0.00 C ATOM 697 OG SER A 49 5.102 5.032 -2.037 1.00 0.00 O ATOM 0 H SER A 49 3.816 4.282 0.761 1.00 0.00 H new ATOM 0 HA SER A 49 2.937 6.447 -1.045 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.647 3.589 -1.864 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.256 4.918 -2.937 1.00 0.00 H new ATOM 0 HG SER A 49 5.191 5.915 -2.452 1.00 0.00 H new ATOM 703 N THR A 50 0.677 5.509 -1.454 1.00 0.00 N ATOM 704 CA THR A 50 -0.732 5.126 -1.487 1.00 0.00 C ATOM 705 C THR A 50 -1.290 5.328 -2.893 1.00 0.00 C ATOM 706 O THR A 50 -1.054 6.360 -3.521 1.00 0.00 O ATOM 707 CB THR A 50 -1.569 5.944 -0.474 1.00 0.00 C ATOM 708 OG1 THR A 50 -1.560 5.298 0.800 1.00 0.00 O ATOM 709 CG2 THR A 50 -3.010 6.110 -0.936 1.00 0.00 C ATOM 0 H THR A 50 0.897 6.326 -2.024 1.00 0.00 H new ATOM 0 HA THR A 50 -0.798 4.074 -1.209 1.00 0.00 H new ATOM 0 HB THR A 50 -1.116 6.933 -0.399 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.925 5.752 1.392 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.564 6.690 -0.198 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.027 6.630 -1.894 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.472 5.129 -1.048 1.00 0.00 H new ATOM 717 N ILE A 51 -2.023 4.337 -3.386 1.00 0.00 N ATOM 718 CA ILE A 51 -2.602 4.411 -4.720 1.00 0.00 C ATOM 719 C ILE A 51 -4.127 4.398 -4.670 1.00 0.00 C ATOM 720 O ILE A 51 -4.727 3.691 -3.858 1.00 0.00 O ATOM 721 CB ILE A 51 -2.105 3.249 -5.603 1.00 0.00 C ATOM 722 CG1 ILE A 51 -2.649 3.383 -7.026 1.00 0.00 C ATOM 723 CG2 ILE A 51 -2.504 1.912 -5.001 1.00 0.00 C ATOM 724 CD1 ILE A 51 -1.666 2.945 -8.088 1.00 0.00 C ATOM 0 H ILE A 51 -2.230 3.474 -2.882 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.277 5.355 -5.157 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.017 3.294 -5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.559 2.790 -7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.927 4.422 -7.205 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.144 1.104 -5.638 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.064 1.814 -4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.590 1.857 -4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.117 3.066 -9.073 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.765 3.555 -8.023 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.407 1.897 -7.934 1.00 0.00 H new ATOM 736 N ASN A 52 -4.748 5.188 -5.541 1.00 0.00 N ATOM 737 CA ASN A 52 -6.203 5.271 -5.599 1.00 0.00 C ATOM 738 C ASN A 52 -6.725 4.730 -6.930 1.00 0.00 C ATOM 739 O ASN A 52 -6.241 5.111 -7.994 1.00 0.00 O ATOM 740 CB ASN A 52 -6.657 6.720 -5.407 1.00 0.00 C ATOM 741 CG ASN A 52 -8.112 6.929 -5.777 1.00 0.00 C ATOM 742 OD1 ASN A 52 -9.016 6.523 -5.046 1.00 0.00 O ATOM 743 ND2 ASN A 52 -8.346 7.567 -6.917 1.00 0.00 N ATOM 0 H ASN A 52 -4.265 5.780 -6.217 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.613 4.660 -4.795 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.505 7.010 -4.367 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.034 7.376 -6.015 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.305 7.738 -7.218 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.566 7.886 -7.492 1.00 0.00 H new ATOM 750 N PRO A 53 -7.722 3.825 -6.886 1.00 0.00 N ATOM 751 CA PRO A 53 -8.302 3.230 -8.095 1.00 0.00 C ATOM 752 C PRO A 53 -9.216 4.193 -8.843 1.00 0.00 C ATOM 753 O PRO A 53 -9.468 5.308 -8.388 1.00 0.00 O ATOM 754 CB PRO A 53 -9.109 2.053 -7.551 1.00 0.00 C ATOM 755 CG PRO A 53 -9.496 2.469 -6.175 1.00 0.00 C ATOM 756 CD PRO A 53 -8.356 3.306 -5.658 1.00 0.00 C ATOM 0 HA PRO A 53 -7.535 2.951 -8.817 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.986 1.855 -8.167 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.516 1.138 -7.537 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.425 3.039 -6.187 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.663 1.601 -5.537 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -8.710 4.114 -5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.659 2.712 -5.067 1.00 0.00 H new ATOM 764 N GLY A 54 -9.715 3.747 -9.993 1.00 0.00 N ATOM 765 CA GLY A 54 -10.604 4.570 -10.792 1.00 0.00 C ATOM 766 C GLY A 54 -9.867 5.630 -11.589 1.00 0.00 C ATOM 767 O GLY A 54 -9.782 5.546 -12.815 1.00 0.00 O ATOM 0 H GLY A 54 -9.518 2.827 -10.386 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.165 3.933 -11.476 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.330 5.053 -10.138 1.00 0.00 H new ATOM 771 N ASP A 55 -9.339 6.632 -10.893 1.00 0.00 N ATOM 772 CA ASP A 55 -8.613 7.717 -11.544 1.00 0.00 C ATOM 773 C ASP A 55 -7.211 7.276 -11.954 1.00 0.00 C ATOM 774 O ASP A 55 -6.952 7.022 -13.130 1.00 0.00 O ATOM 775 CB ASP A 55 -8.530 8.931 -10.617 1.00 0.00 C ATOM 776 CG ASP A 55 -9.877 9.596 -10.412 1.00 0.00 C ATOM 777 OD1 ASP A 55 -10.696 9.581 -11.355 1.00 0.00 O ATOM 778 OD2 ASP A 55 -10.113 10.132 -9.309 1.00 0.00 O ATOM 0 H ASP A 55 -9.400 6.715 -9.878 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.160 7.992 -12.446 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.131 8.621 -9.651 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.830 9.655 -11.033 1.00 0.00 H new ATOM 783 N GLY A 56 -6.307 7.194 -10.980 1.00 0.00 N ATOM 784 CA GLY A 56 -4.944 6.792 -11.266 1.00 0.00 C ATOM 785 C GLY A 56 -3.932 7.665 -10.553 1.00 0.00 C ATOM 786 O GLY A 56 -2.730 7.402 -10.606 1.00 0.00 O ATOM 0 H GLY A 56 -6.496 7.399 -9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.802 5.754 -10.966 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.770 6.840 -12.341 1.00 0.00 H new ATOM 790 N SER A 57 -4.422 8.704 -9.879 1.00 0.00 N ATOM 791 CA SER A 57 -3.558 9.620 -9.144 1.00 0.00 C ATOM 792 C SER A 57 -2.772 8.875 -8.071 1.00 0.00 C ATOM 793 O SER A 57 -2.891 7.657 -7.936 1.00 0.00 O ATOM 794 CB SER A 57 -4.385 10.736 -8.505 1.00 0.00 C ATOM 795 OG SER A 57 -5.296 11.294 -9.436 1.00 0.00 O ATOM 0 H SER A 57 -5.415 8.931 -9.828 1.00 0.00 H new ATOM 0 HA SER A 57 -2.853 10.061 -9.849 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.932 10.342 -7.648 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.721 11.515 -8.129 1.00 0.00 H new ATOM 0 HG SER A 57 -5.814 12.004 -9.002 1.00 0.00 H new ATOM 801 N THR A 58 -1.966 9.606 -7.312 1.00 0.00 N ATOM 802 CA THR A 58 -1.163 8.995 -6.262 1.00 0.00 C ATOM 803 C THR A 58 -0.934 9.946 -5.095 1.00 0.00 C ATOM 804 O THR A 58 -1.025 11.166 -5.241 1.00 0.00 O ATOM 805 CB THR A 58 0.201 8.539 -6.806 1.00 0.00 C ATOM 806 OG1 THR A 58 0.411 9.074 -8.118 1.00 0.00 O ATOM 807 CG2 THR A 58 0.281 7.022 -6.853 1.00 0.00 C ATOM 0 H THR A 58 -1.851 10.615 -7.403 1.00 0.00 H new ATOM 0 HA THR A 58 -1.725 8.131 -5.906 1.00 0.00 H new ATOM 0 HB THR A 58 0.977 8.909 -6.137 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.283 8.780 -8.456 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.254 6.721 -7.241 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.150 6.619 -5.849 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.504 6.636 -7.503 1.00 0.00 H new ATOM 815 N TYR A 59 -0.628 9.371 -3.936 1.00 0.00 N ATOM 816 CA TYR A 59 -0.373 10.148 -2.730 1.00 0.00 C ATOM 817 C TYR A 59 0.850 9.603 -1.998 1.00 0.00 C ATOM 818 O TYR A 59 0.886 8.431 -1.624 1.00 0.00 O ATOM 819 CB TYR A 59 -1.589 10.118 -1.799 1.00 0.00 C ATOM 820 CG TYR A 59 -2.918 10.215 -2.516 1.00 0.00 C ATOM 821 CD1 TYR A 59 -3.574 9.074 -2.959 1.00 0.00 C ATOM 822 CD2 TYR A 59 -3.517 11.447 -2.746 1.00 0.00 C ATOM 823 CE1 TYR A 59 -4.789 9.157 -3.612 1.00 0.00 C ATOM 824 CE2 TYR A 59 -4.733 11.539 -3.398 1.00 0.00 C ATOM 825 CZ TYR A 59 -5.365 10.391 -3.829 1.00 0.00 C ATOM 826 OH TYR A 59 -6.575 10.477 -4.477 1.00 0.00 O ATOM 0 H TYR A 59 -0.550 8.362 -3.808 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.183 11.180 -3.025 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.567 9.195 -1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.510 10.941 -1.089 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.127 8.105 -2.790 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.025 12.348 -2.410 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.285 8.260 -3.951 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.186 12.505 -3.569 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.842 11.417 -4.548 1.00 0.00 H new ATOM 836 N TYR A 60 1.848 10.457 -1.799 1.00 0.00 N ATOM 837 CA TYR A 60 3.069 10.054 -1.112 1.00 0.00 C ATOM 838 C TYR A 60 3.299 10.905 0.132 1.00 0.00 C ATOM 839 O TYR A 60 2.716 11.978 0.279 1.00 0.00 O ATOM 840 CB TYR A 60 4.276 10.173 -2.046 1.00 0.00 C ATOM 841 CG TYR A 60 4.312 9.135 -3.146 1.00 0.00 C ATOM 842 CD1 TYR A 60 3.402 9.173 -4.195 1.00 0.00 C ATOM 843 CD2 TYR A 60 5.264 8.123 -3.141 1.00 0.00 C ATOM 844 CE1 TYR A 60 3.438 8.231 -5.206 1.00 0.00 C ATOM 845 CE2 TYR A 60 5.307 7.179 -4.149 1.00 0.00 C ATOM 846 CZ TYR A 60 4.392 7.238 -5.178 1.00 0.00 C ATOM 847 OH TYR A 60 4.432 6.300 -6.184 1.00 0.00 O ATOM 0 H TYR A 60 1.836 11.431 -2.103 1.00 0.00 H new ATOM 0 HA TYR A 60 2.953 9.013 -0.809 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.276 11.165 -2.498 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.188 10.092 -1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.654 9.952 -4.221 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.982 8.073 -2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.722 8.273 -6.013 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.054 6.399 -4.131 1.00 0.00 H new ATOM 0 HH TYR A 60 5.133 6.538 -6.826 1.00 0.00 H new ATOM 857 N ALA A 61 4.157 10.418 1.022 1.00 0.00 N ATOM 858 CA ALA A 61 4.475 11.129 2.255 1.00 0.00 C ATOM 859 C ALA A 61 5.373 12.333 1.981 1.00 0.00 C ATOM 860 O ALA A 61 5.888 12.954 2.912 1.00 0.00 O ATOM 861 CB ALA A 61 5.139 10.184 3.249 1.00 0.00 C ATOM 0 H ALA A 61 4.647 9.530 0.912 1.00 0.00 H new ATOM 0 HA ALA A 61 3.544 11.498 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.372 10.725 4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.462 9.360 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.059 9.789 2.817 1.00 0.00 H new ATOM 867 N ASP A 62 5.553 12.649 0.694 1.00 0.00 N ATOM 868 CA ASP A 62 6.385 13.775 0.259 1.00 0.00 C ATOM 869 C ASP A 62 7.870 13.445 0.377 1.00 0.00 C ATOM 870 O ASP A 62 8.651 13.740 -0.527 1.00 0.00 O ATOM 871 CB ASP A 62 6.063 15.043 1.058 1.00 0.00 C ATOM 872 CG ASP A 62 4.610 15.458 0.930 1.00 0.00 C ATOM 873 OD1 ASP A 62 3.836 14.725 0.278 1.00 0.00 O ATOM 874 OD2 ASP A 62 4.245 16.517 1.483 1.00 0.00 O ATOM 0 H ASP A 62 5.126 12.132 -0.074 1.00 0.00 H new ATOM 0 HA ASP A 62 6.156 13.959 -0.791 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.298 14.876 2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.701 15.857 0.714 1.00 0.00 H new ATOM 879 N SER A 63 8.255 12.825 1.488 1.00 0.00 N ATOM 880 CA SER A 63 9.645 12.451 1.711 1.00 0.00 C ATOM 881 C SER A 63 9.972 11.153 0.979 1.00 0.00 C ATOM 882 O SER A 63 11.051 10.587 1.151 1.00 0.00 O ATOM 883 CB SER A 63 9.920 12.289 3.207 1.00 0.00 C ATOM 884 OG SER A 63 11.312 12.295 3.473 1.00 0.00 O ATOM 0 H SER A 63 7.623 12.571 2.247 1.00 0.00 H new ATOM 0 HA SER A 63 10.281 13.245 1.319 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.438 13.096 3.758 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.483 11.356 3.561 1.00 0.00 H new ATOM 0 HG SER A 63 11.773 11.734 2.815 1.00 0.00 H new ATOM 890 N VAL A 64 9.028 10.690 0.166 1.00 0.00 N ATOM 891 CA VAL A 64 9.206 9.459 -0.593 1.00 0.00 C ATOM 892 C VAL A 64 8.949 9.687 -2.079 1.00 0.00 C ATOM 893 O VAL A 64 9.201 8.806 -2.902 1.00 0.00 O ATOM 894 CB VAL A 64 8.270 8.346 -0.087 1.00 0.00 C ATOM 895 CG1 VAL A 64 8.859 7.664 1.137 1.00 0.00 C ATOM 896 CG2 VAL A 64 6.891 8.910 0.219 1.00 0.00 C ATOM 0 H VAL A 64 8.130 11.151 0.016 1.00 0.00 H new ATOM 0 HA VAL A 64 10.240 9.146 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 64 8.167 7.598 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.182 6.881 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.822 7.224 0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.996 8.397 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.242 8.110 0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.975 9.679 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.467 9.345 -0.686 1.00 0.00 H new ATOM 906 N LYS A 65 8.448 10.872 -2.418 1.00 0.00 N ATOM 907 CA LYS A 65 8.166 11.208 -3.809 1.00 0.00 C ATOM 908 C LYS A 65 9.446 11.154 -4.632 1.00 0.00 C ATOM 909 O LYS A 65 10.459 11.749 -4.262 1.00 0.00 O ATOM 910 CB LYS A 65 7.534 12.597 -3.911 1.00 0.00 C ATOM 911 CG LYS A 65 6.024 12.595 -3.734 1.00 0.00 C ATOM 912 CD LYS A 65 5.318 11.953 -4.919 1.00 0.00 C ATOM 913 CE LYS A 65 5.033 12.969 -6.013 1.00 0.00 C ATOM 914 NZ LYS A 65 3.587 13.021 -6.362 1.00 0.00 N ATOM 0 H LYS A 65 8.230 11.612 -1.751 1.00 0.00 H new ATOM 0 HA LYS A 65 7.460 10.477 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.979 13.245 -3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.777 13.027 -4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.766 12.057 -2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.671 13.619 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.935 11.149 -5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.383 11.502 -4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.363 13.955 -5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.612 12.717 -6.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.436 13.726 -7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.277 12.087 -6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.036 13.287 -5.521 1.00 0.00 H new ATOM 928 N GLY A 66 9.405 10.422 -5.740 1.00 0.00 N ATOM 929 CA GLY A 66 10.578 10.290 -6.582 1.00 0.00 C ATOM 930 C GLY A 66 11.498 9.193 -6.088 1.00 0.00 C ATOM 931 O GLY A 66 12.312 8.661 -6.842 1.00 0.00 O ATOM 0 H GLY A 66 8.581 9.919 -6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.270 10.074 -7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.119 11.236 -6.605 1.00 0.00 H new ATOM 935 N ARG A 67 11.354 8.859 -4.809 1.00 0.00 N ATOM 936 CA ARG A 67 12.160 7.820 -4.185 1.00 0.00 C ATOM 937 C ARG A 67 11.629 6.441 -4.547 1.00 0.00 C ATOM 938 O ARG A 67 12.316 5.646 -5.190 1.00 0.00 O ATOM 939 CB ARG A 67 12.143 7.991 -2.666 1.00 0.00 C ATOM 940 CG ARG A 67 13.122 7.090 -1.937 1.00 0.00 C ATOM 941 CD ARG A 67 14.428 7.812 -1.664 1.00 0.00 C ATOM 942 NE ARG A 67 14.225 9.016 -0.864 1.00 0.00 N ATOM 943 CZ ARG A 67 14.973 10.110 -0.972 1.00 0.00 C ATOM 944 NH1 ARG A 67 15.982 10.147 -1.833 1.00 0.00 N ATOM 945 NH2 ARG A 67 14.712 11.168 -0.218 1.00 0.00 N ATOM 0 H ARG A 67 10.680 9.298 -4.182 1.00 0.00 H new ATOM 0 HA ARG A 67 13.183 7.910 -4.551 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.370 9.029 -2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.137 7.791 -2.298 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.683 6.757 -0.996 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.314 6.198 -2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.112 7.141 -1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.900 8.079 -2.609 1.00 0.00 H new ATOM 0 HE ARG A 67 13.466 9.018 -0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.186 9.334 -2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.554 10.988 -1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.937 11.143 0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.286 12.007 -0.301 1.00 0.00 H new ATOM 959 N PHE A 68 10.402 6.165 -4.122 1.00 0.00 N ATOM 960 CA PHE A 68 9.768 4.883 -4.390 1.00 0.00 C ATOM 961 C PHE A 68 8.601 5.038 -5.355 1.00 0.00 C ATOM 962 O PHE A 68 7.963 6.090 -5.413 1.00 0.00 O ATOM 963 CB PHE A 68 9.266 4.255 -3.087 1.00 0.00 C ATOM 964 CG PHE A 68 10.332 4.013 -2.053 1.00 0.00 C ATOM 965 CD1 PHE A 68 11.672 3.939 -2.404 1.00 0.00 C ATOM 966 CD2 PHE A 68 9.984 3.851 -0.722 1.00 0.00 C ATOM 967 CE1 PHE A 68 12.641 3.709 -1.448 1.00 0.00 C ATOM 968 CE2 PHE A 68 10.950 3.619 0.237 1.00 0.00 C ATOM 969 CZ PHE A 68 12.278 3.548 -0.126 1.00 0.00 C ATOM 0 H PHE A 68 9.825 6.816 -3.588 1.00 0.00 H new ATOM 0 HA PHE A 68 10.515 4.233 -4.845 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.503 4.904 -2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.783 3.306 -3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.961 4.063 -3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.945 3.907 -0.431 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.681 3.655 -1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.665 3.493 1.271 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.034 3.366 0.624 1.00 0.00 H new ATOM 979 N THR A 69 8.317 3.976 -6.096 1.00 0.00 N ATOM 980 CA THR A 69 7.215 3.975 -7.046 1.00 0.00 C ATOM 981 C THR A 69 6.194 2.920 -6.663 1.00 0.00 C ATOM 982 O THR A 69 6.501 1.734 -6.623 1.00 0.00 O ATOM 983 CB THR A 69 7.700 3.715 -8.487 1.00 0.00 C ATOM 984 OG1 THR A 69 8.493 4.817 -8.944 1.00 0.00 O ATOM 985 CG2 THR A 69 6.521 3.506 -9.430 1.00 0.00 C ATOM 0 H THR A 69 8.838 3.100 -6.056 1.00 0.00 H new ATOM 0 HA THR A 69 6.758 4.964 -7.013 1.00 0.00 H new ATOM 0 HB THR A 69 8.305 2.808 -8.483 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.798 4.643 -9.859 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.890 3.325 -10.439 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.937 2.648 -9.098 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.892 4.396 -9.428 1.00 0.00 H new ATOM 993 N ILE A 70 4.982 3.362 -6.374 1.00 0.00 N ATOM 994 CA ILE A 70 3.917 2.458 -5.977 1.00 0.00 C ATOM 995 C ILE A 70 2.976 2.186 -7.151 1.00 0.00 C ATOM 996 O ILE A 70 2.441 3.105 -7.772 1.00 0.00 O ATOM 997 CB ILE A 70 3.140 3.043 -4.774 1.00 0.00 C ATOM 998 CG1 ILE A 70 2.462 1.921 -3.970 1.00 0.00 C ATOM 999 CG2 ILE A 70 2.143 4.109 -5.223 1.00 0.00 C ATOM 1000 CD1 ILE A 70 0.948 1.968 -3.963 1.00 0.00 C ATOM 0 H ILE A 70 4.711 4.345 -6.407 1.00 0.00 H new ATOM 0 HA ILE A 70 4.360 1.510 -5.673 1.00 0.00 H new ATOM 0 HB ILE A 70 3.852 3.536 -4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.779 0.960 -4.375 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.817 1.966 -2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.613 4.500 -4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.676 4.920 -5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.427 3.668 -5.917 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.561 1.138 -3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.615 2.910 -3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.577 1.889 -4.985 1.00 0.00 H new ATOM 1012 N SER A 71 2.813 0.906 -7.469 1.00 0.00 N ATOM 1013 CA SER A 71 1.971 0.493 -8.583 1.00 0.00 C ATOM 1014 C SER A 71 1.081 -0.679 -8.189 1.00 0.00 C ATOM 1015 O SER A 71 1.297 -1.320 -7.159 1.00 0.00 O ATOM 1016 CB SER A 71 2.837 0.115 -9.786 1.00 0.00 C ATOM 1017 OG SER A 71 2.188 -0.838 -10.610 1.00 0.00 O ATOM 0 H SER A 71 3.255 0.135 -6.968 1.00 0.00 H new ATOM 0 HA SER A 71 1.330 1.332 -8.854 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.063 1.008 -10.368 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.788 -0.289 -9.439 1.00 0.00 H new ATOM 0 HG SER A 71 2.764 -1.059 -11.371 1.00 0.00 H new ATOM 1023 N ARG A 72 0.075 -0.948 -9.012 1.00 0.00 N ATOM 1024 CA ARG A 72 -0.861 -2.036 -8.752 1.00 0.00 C ATOM 1025 C ARG A 72 -1.331 -2.676 -10.055 1.00 0.00 C ATOM 1026 O ARG A 72 -1.185 -2.097 -11.131 1.00 0.00 O ATOM 1027 CB ARG A 72 -2.063 -1.505 -7.971 1.00 0.00 C ATOM 1028 CG ARG A 72 -2.508 -2.409 -6.836 1.00 0.00 C ATOM 1029 CD ARG A 72 -3.771 -1.882 -6.173 1.00 0.00 C ATOM 1030 NE ARG A 72 -4.731 -1.375 -7.150 1.00 0.00 N ATOM 1031 CZ ARG A 72 -5.402 -0.235 -7.007 1.00 0.00 C ATOM 1032 NH1 ARG A 72 -5.232 0.507 -5.920 1.00 0.00 N ATOM 1033 NH2 ARG A 72 -6.245 0.163 -7.950 1.00 0.00 N ATOM 0 H ARG A 72 -0.114 -0.426 -9.868 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.350 -2.797 -8.163 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.815 -0.524 -7.565 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.897 -1.364 -8.659 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.687 -3.414 -7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.711 -2.486 -6.096 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.234 -2.678 -5.590 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.509 -1.086 -5.475 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.897 -1.927 -7.991 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.586 0.204 -5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.748 1.381 -5.813 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.380 -0.405 -8.786 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.759 1.037 -7.839 1.00 0.00 H new ATOM 1047 N ASP A 73 -1.900 -3.872 -9.946 1.00 0.00 N ATOM 1048 CA ASP A 73 -2.399 -4.594 -11.112 1.00 0.00 C ATOM 1049 C ASP A 73 -3.918 -4.720 -11.055 1.00 0.00 C ATOM 1050 O ASP A 73 -4.480 -5.107 -10.031 1.00 0.00 O ATOM 1051 CB ASP A 73 -1.759 -5.980 -11.192 1.00 0.00 C ATOM 1052 CG ASP A 73 -1.804 -6.560 -12.592 1.00 0.00 C ATOM 1053 OD1 ASP A 73 -2.916 -6.859 -13.075 1.00 0.00 O ATOM 1054 OD2 ASP A 73 -0.727 -6.714 -13.206 1.00 0.00 O ATOM 0 H ASP A 73 -2.027 -4.363 -9.061 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.131 -4.030 -12.006 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.722 -5.918 -10.861 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.272 -6.654 -10.506 1.00 0.00 H new ATOM 1059 N ASN A 74 -4.578 -4.384 -12.159 1.00 0.00 N ATOM 1060 CA ASN A 74 -6.033 -4.453 -12.234 1.00 0.00 C ATOM 1061 C ASN A 74 -6.497 -5.835 -12.686 1.00 0.00 C ATOM 1062 O ASN A 74 -7.527 -5.967 -13.349 1.00 0.00 O ATOM 1063 CB ASN A 74 -6.561 -3.386 -13.196 1.00 0.00 C ATOM 1064 CG ASN A 74 -6.385 -1.981 -12.655 1.00 0.00 C ATOM 1065 OD1 ASN A 74 -7.321 -1.389 -12.117 1.00 0.00 O ATOM 1066 ND2 ASN A 74 -5.181 -1.439 -12.798 1.00 0.00 N ATOM 0 H ASN A 74 -4.127 -4.061 -13.015 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.431 -4.269 -11.236 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.042 -3.472 -14.150 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.618 -3.568 -13.391 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.003 -0.495 -12.455 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.435 -1.967 -13.250 1.00 0.00 H new ATOM 1073 N ALA A 75 -5.734 -6.864 -12.326 1.00 0.00 N ATOM 1074 CA ALA A 75 -6.077 -8.230 -12.703 1.00 0.00 C ATOM 1075 C ALA A 75 -5.591 -9.240 -11.668 1.00 0.00 C ATOM 1076 O ALA A 75 -5.520 -10.437 -11.946 1.00 0.00 O ATOM 1077 CB ALA A 75 -5.499 -8.558 -14.072 1.00 0.00 C ATOM 0 H ALA A 75 -4.879 -6.778 -11.777 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.164 -8.299 -12.747 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.762 -9.581 -14.342 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.906 -7.871 -14.813 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.414 -8.458 -14.042 1.00 0.00 H new ATOM 1083 N LYS A 76 -5.260 -8.755 -10.472 1.00 0.00 N ATOM 1084 CA LYS A 76 -4.784 -9.626 -9.401 1.00 0.00 C ATOM 1085 C LYS A 76 -4.687 -8.872 -8.078 1.00 0.00 C ATOM 1086 O LYS A 76 -4.759 -7.644 -8.045 1.00 0.00 O ATOM 1087 CB LYS A 76 -3.419 -10.222 -9.760 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.498 -9.252 -10.482 1.00 0.00 C ATOM 1089 CD LYS A 76 -1.042 -9.488 -10.115 1.00 0.00 C ATOM 1090 CE LYS A 76 -0.238 -9.967 -11.312 1.00 0.00 C ATOM 1091 NZ LYS A 76 0.394 -11.291 -11.063 1.00 0.00 N ATOM 0 H LYS A 76 -5.313 -7.768 -10.222 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.507 -10.433 -9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.930 -10.562 -8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.570 -11.101 -10.387 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.625 -9.361 -11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.776 -8.229 -10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.608 -8.565 -9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.982 -10.227 -9.316 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.889 -10.034 -12.183 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.534 -9.235 -11.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.933 -11.582 -11.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.035 -11.222 -10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.344 -11.996 -10.864 1.00 0.00 H new ATOM 1105 N ASN A 77 -4.520 -9.619 -6.991 1.00 0.00 N ATOM 1106 CA ASN A 77 -4.408 -9.029 -5.660 1.00 0.00 C ATOM 1107 C ASN A 77 -2.948 -8.945 -5.225 1.00 0.00 C ATOM 1108 O ASN A 77 -2.477 -9.772 -4.442 1.00 0.00 O ATOM 1109 CB ASN A 77 -5.202 -9.853 -4.642 1.00 0.00 C ATOM 1110 CG ASN A 77 -5.365 -11.301 -5.065 1.00 0.00 C ATOM 1111 OD1 ASN A 77 -4.399 -11.961 -5.448 1.00 0.00 O ATOM 1112 ND2 ASN A 77 -6.593 -11.802 -4.996 1.00 0.00 N ATOM 0 H ASN A 77 -4.459 -10.637 -7.005 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.819 -8.021 -5.704 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.698 -9.815 -3.676 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.186 -9.405 -4.506 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.765 -12.770 -5.266 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.364 -11.218 -4.672 1.00 0.00 H new ATOM 1119 N THR A 78 -2.229 -7.948 -5.735 1.00 0.00 N ATOM 1120 CA THR A 78 -0.822 -7.774 -5.391 1.00 0.00 C ATOM 1121 C THR A 78 -0.386 -6.314 -5.491 1.00 0.00 C ATOM 1122 O THR A 78 -0.823 -5.582 -6.380 1.00 0.00 O ATOM 1123 CB THR A 78 0.085 -8.631 -6.294 1.00 0.00 C ATOM 1124 OG1 THR A 78 -0.653 -9.737 -6.825 1.00 0.00 O ATOM 1125 CG2 THR A 78 1.289 -9.146 -5.517 1.00 0.00 C ATOM 0 H THR A 78 -2.596 -7.252 -6.384 1.00 0.00 H new ATOM 0 HA THR A 78 -0.717 -8.101 -4.356 1.00 0.00 H new ATOM 0 HB THR A 78 0.439 -8.005 -7.113 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.038 -10.360 -7.265 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.916 -9.749 -6.174 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.866 -8.302 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.948 -9.756 -4.681 1.00 0.00 H new ATOM 1133 N LEU A 79 0.482 -5.906 -4.567 1.00 0.00 N ATOM 1134 CA LEU A 79 0.999 -4.541 -4.531 1.00 0.00 C ATOM 1135 C LEU A 79 2.469 -4.524 -4.927 1.00 0.00 C ATOM 1136 O LEU A 79 3.209 -5.459 -4.620 1.00 0.00 O ATOM 1137 CB LEU A 79 0.833 -3.944 -3.128 1.00 0.00 C ATOM 1138 CG LEU A 79 0.048 -2.627 -3.056 1.00 0.00 C ATOM 1139 CD1 LEU A 79 0.157 -1.998 -1.673 1.00 0.00 C ATOM 1140 CD2 LEU A 79 0.501 -1.645 -4.130 1.00 0.00 C ATOM 0 H LEU A 79 0.844 -6.508 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 79 0.432 -3.939 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.333 -4.679 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.823 -3.780 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.000 -2.864 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.409 -1.067 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.246 -2.685 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.204 -1.792 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.077 -0.724 -4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.560 -1.422 -3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.345 -2.085 -5.115 1.00 0.00 H new ATOM 1152 N TYR A 80 2.889 -3.470 -5.617 1.00 0.00 N ATOM 1153 CA TYR A 80 4.273 -3.358 -6.055 1.00 0.00 C ATOM 1154 C TYR A 80 4.850 -1.987 -5.734 1.00 0.00 C ATOM 1155 O TYR A 80 4.138 -0.984 -5.729 1.00 0.00 O ATOM 1156 CB TYR A 80 4.375 -3.615 -7.560 1.00 0.00 C ATOM 1157 CG TYR A 80 3.895 -4.986 -7.967 1.00 0.00 C ATOM 1158 CD1 TYR A 80 2.538 -5.268 -8.060 1.00 0.00 C ATOM 1159 CD2 TYR A 80 4.799 -5.998 -8.253 1.00 0.00 C ATOM 1160 CE1 TYR A 80 2.094 -6.521 -8.426 1.00 0.00 C ATOM 1161 CE2 TYR A 80 4.365 -7.256 -8.620 1.00 0.00 C ATOM 1162 CZ TYR A 80 3.011 -7.514 -8.705 1.00 0.00 C ATOM 1163 OH TYR A 80 2.574 -8.768 -9.070 1.00 0.00 O ATOM 0 H TYR A 80 2.294 -2.685 -5.883 1.00 0.00 H new ATOM 0 HA TYR A 80 4.850 -4.109 -5.515 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.792 -2.862 -8.090 1.00 0.00 H new ATOM 0 HB3 TYR A 80 5.412 -3.494 -7.872 1.00 0.00 H new ATOM 0 HD1 TYR A 80 1.819 -4.493 -7.842 1.00 0.00 H new ATOM 0 HD2 TYR A 80 5.858 -5.799 -8.188 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.035 -6.724 -8.494 1.00 0.00 H new ATOM 0 HE2 TYR A 80 5.081 -8.034 -8.840 1.00 0.00 H new ATOM 0 HH TYR A 80 3.346 -9.349 -9.233 1.00 0.00 H new ATOM 1173 N LEU A 81 6.152 -1.958 -5.488 1.00 0.00 N ATOM 1174 CA LEU A 81 6.847 -0.718 -5.188 1.00 0.00 C ATOM 1175 C LEU A 81 8.313 -0.828 -5.594 1.00 0.00 C ATOM 1176 O LEU A 81 8.967 -1.838 -5.331 1.00 0.00 O ATOM 1177 CB LEU A 81 6.719 -0.350 -3.706 1.00 0.00 C ATOM 1178 CG LEU A 81 7.404 0.963 -3.307 1.00 0.00 C ATOM 1179 CD1 LEU A 81 6.454 2.135 -3.487 1.00 0.00 C ATOM 1180 CD2 LEU A 81 7.889 0.909 -1.871 1.00 0.00 C ATOM 0 H LEU A 81 6.750 -2.785 -5.491 1.00 0.00 H new ATOM 0 HA LEU A 81 6.381 0.081 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.661 -0.283 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.139 -1.159 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 81 8.267 1.101 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.957 3.058 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.148 2.199 -4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.574 1.990 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.371 1.852 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.041 0.742 -1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.604 0.094 -1.759 1.00 0.00 H new ATOM 1192 N GLN A 82 8.818 0.213 -6.248 1.00 0.00 N ATOM 1193 CA GLN A 82 10.200 0.229 -6.704 1.00 0.00 C ATOM 1194 C GLN A 82 11.058 1.104 -5.803 1.00 0.00 C ATOM 1195 O GLN A 82 10.880 2.320 -5.744 1.00 0.00 O ATOM 1196 CB GLN A 82 10.276 0.733 -8.147 1.00 0.00 C ATOM 1197 CG GLN A 82 11.697 0.867 -8.671 1.00 0.00 C ATOM 1198 CD GLN A 82 12.469 -0.434 -8.600 1.00 0.00 C ATOM 1199 OE1 GLN A 82 13.196 -0.687 -7.639 1.00 0.00 O ATOM 1200 NE2 GLN A 82 12.314 -1.270 -9.620 1.00 0.00 N ATOM 0 H GLN A 82 8.289 1.056 -6.473 1.00 0.00 H new ATOM 0 HA GLN A 82 10.583 -0.791 -6.662 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.723 0.049 -8.791 1.00 0.00 H new ATOM 0 HB3 GLN A 82 9.781 1.702 -8.211 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.668 1.212 -9.705 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.222 1.629 -8.095 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.701 -1.020 -10.396 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.808 -2.163 -9.627 1.00 0.00 H new ATOM 1209 N MET A 83 11.988 0.471 -5.102 1.00 0.00 N ATOM 1210 CA MET A 83 12.880 1.177 -4.198 1.00 0.00 C ATOM 1211 C MET A 83 14.111 1.687 -4.937 1.00 0.00 C ATOM 1212 O MET A 83 15.082 0.952 -5.132 1.00 0.00 O ATOM 1213 CB MET A 83 13.298 0.258 -3.049 1.00 0.00 C ATOM 1214 CG MET A 83 12.191 -0.677 -2.588 1.00 0.00 C ATOM 1215 SD MET A 83 11.496 -0.198 -0.996 1.00 0.00 S ATOM 1216 CE MET A 83 11.202 -1.804 -0.260 1.00 0.00 C ATOM 0 H MET A 83 12.144 -0.536 -5.144 1.00 0.00 H new ATOM 0 HA MET A 83 12.346 2.036 -3.791 1.00 0.00 H new ATOM 0 HB2 MET A 83 14.157 -0.335 -3.363 1.00 0.00 H new ATOM 0 HB3 MET A 83 13.623 0.868 -2.206 1.00 0.00 H new ATOM 0 HG2 MET A 83 11.399 -0.692 -3.336 1.00 0.00 H new ATOM 0 HG3 MET A 83 12.583 -1.692 -2.518 1.00 0.00 H new ATOM 0 HE1 MET A 83 11.379 -1.750 0.814 1.00 0.00 H new ATOM 0 HE2 MET A 83 10.170 -2.105 -0.443 1.00 0.00 H new ATOM 0 HE3 MET A 83 11.877 -2.536 -0.703 1.00 0.00 H new ATOM 1226 N ASN A 84 14.064 2.952 -5.346 1.00 0.00 N ATOM 1227 CA ASN A 84 15.172 3.571 -6.063 1.00 0.00 C ATOM 1228 C ASN A 84 15.715 4.765 -5.285 1.00 0.00 C ATOM 1229 O ASN A 84 15.085 5.236 -4.337 1.00 0.00 O ATOM 1230 CB ASN A 84 14.723 4.015 -7.456 1.00 0.00 C ATOM 1231 CG ASN A 84 15.628 3.482 -8.549 1.00 0.00 C ATOM 1232 OD1 ASN A 84 16.849 3.619 -8.483 1.00 0.00 O ATOM 1233 ND2 ASN A 84 15.033 2.869 -9.566 1.00 0.00 N ATOM 0 H ASN A 84 13.267 3.569 -5.192 1.00 0.00 H new ATOM 0 HA ASN A 84 15.967 2.832 -6.167 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.703 3.673 -7.633 1.00 0.00 H new ATOM 0 HB3 ASN A 84 14.706 5.104 -7.500 1.00 0.00 H new ATOM 0 HD21 ASN A 84 15.592 2.491 -10.331 1.00 0.00 H new ATOM 0 HD22 ASN A 84 14.017 2.777 -9.582 1.00 0.00 H new ATOM 1240 N SER A 85 16.888 5.247 -5.686 1.00 0.00 N ATOM 1241 CA SER A 85 17.518 6.386 -5.024 1.00 0.00 C ATOM 1242 C SER A 85 17.685 6.117 -3.531 1.00 0.00 C ATOM 1243 O SER A 85 17.406 6.979 -2.697 1.00 0.00 O ATOM 1244 CB SER A 85 16.690 7.654 -5.240 1.00 0.00 C ATOM 1245 OG SER A 85 17.294 8.499 -6.204 1.00 0.00 O ATOM 0 H SER A 85 17.422 4.866 -6.467 1.00 0.00 H new ATOM 0 HA SER A 85 18.505 6.532 -5.463 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.685 7.385 -5.566 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.586 8.190 -4.296 1.00 0.00 H new ATOM 0 HG SER A 85 16.745 9.302 -6.325 1.00 0.00 H new ATOM 1251 N LEU A 86 18.140 4.912 -3.204 1.00 0.00 N ATOM 1252 CA LEU A 86 18.346 4.519 -1.815 1.00 0.00 C ATOM 1253 C LEU A 86 19.373 5.424 -1.139 1.00 0.00 C ATOM 1254 O LEU A 86 20.314 5.895 -1.778 1.00 0.00 O ATOM 1255 CB LEU A 86 18.804 3.056 -1.735 1.00 0.00 C ATOM 1256 CG LEU A 86 17.883 2.026 -2.410 1.00 0.00 C ATOM 1257 CD1 LEU A 86 16.417 2.351 -2.160 1.00 0.00 C ATOM 1258 CD2 LEU A 86 18.165 1.950 -3.903 1.00 0.00 C ATOM 0 H LEU A 86 18.374 4.189 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 86 17.396 4.623 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.794 2.980 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.911 2.786 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 86 18.092 1.052 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.790 1.605 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.220 2.343 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 86 16.189 3.338 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 86 17.503 1.216 -4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.993 2.926 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 86 19.202 1.653 -4.063 1.00 0.00 H new ATOM 1270 N LYS A 87 19.183 5.665 0.156 1.00 0.00 N ATOM 1271 CA LYS A 87 20.092 6.518 0.918 1.00 0.00 C ATOM 1272 C LYS A 87 19.995 6.224 2.413 1.00 0.00 C ATOM 1273 O LYS A 87 19.817 7.136 3.222 1.00 0.00 O ATOM 1274 CB LYS A 87 19.784 7.993 0.655 1.00 0.00 C ATOM 1275 CG LYS A 87 18.298 8.310 0.623 1.00 0.00 C ATOM 1276 CD LYS A 87 17.856 9.041 1.881 1.00 0.00 C ATOM 1277 CE LYS A 87 17.149 10.345 1.551 1.00 0.00 C ATOM 1278 NZ LYS A 87 18.009 11.528 1.827 1.00 0.00 N ATOM 0 H LYS A 87 18.409 5.282 0.699 1.00 0.00 H new ATOM 0 HA LYS A 87 21.109 6.303 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 87 20.259 8.598 1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 87 20.229 8.284 -0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 87 18.074 8.921 -0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.730 7.385 0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 87 17.189 8.401 2.459 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.724 9.246 2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.858 10.345 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.232 10.419 2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.490 12.397 1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 18.266 11.543 2.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.873 11.471 1.251 1.00 0.00 H new ATOM 1292 N SER A 88 20.111 4.947 2.769 1.00 0.00 N ATOM 1293 CA SER A 88 20.036 4.520 4.168 1.00 0.00 C ATOM 1294 C SER A 88 18.646 4.770 4.750 1.00 0.00 C ATOM 1295 O SER A 88 18.404 4.521 5.931 1.00 0.00 O ATOM 1296 CB SER A 88 21.094 5.239 5.007 1.00 0.00 C ATOM 1297 OG SER A 88 22.322 5.335 4.308 1.00 0.00 O ATOM 0 H SER A 88 20.258 4.185 2.107 1.00 0.00 H new ATOM 0 HA SER A 88 20.230 3.448 4.198 1.00 0.00 H new ATOM 0 HB2 SER A 88 20.741 6.237 5.266 1.00 0.00 H new ATOM 0 HB3 SER A 88 21.246 4.702 5.943 1.00 0.00 H new ATOM 0 HG SER A 88 22.980 5.800 4.866 1.00 0.00 H new ATOM 1303 N GLU A 89 17.736 5.257 3.912 1.00 0.00 N ATOM 1304 CA GLU A 89 16.370 5.534 4.338 1.00 0.00 C ATOM 1305 C GLU A 89 15.479 4.327 4.066 1.00 0.00 C ATOM 1306 O GLU A 89 14.586 4.007 4.851 1.00 0.00 O ATOM 1307 CB GLU A 89 15.834 6.772 3.609 1.00 0.00 C ATOM 1308 CG GLU A 89 14.317 6.864 3.568 1.00 0.00 C ATOM 1309 CD GLU A 89 13.779 8.010 4.401 1.00 0.00 C ATOM 1310 OE1 GLU A 89 14.269 8.203 5.534 1.00 0.00 O ATOM 1311 OE2 GLU A 89 12.868 8.717 3.921 1.00 0.00 O ATOM 0 H GLU A 89 17.921 5.468 2.931 1.00 0.00 H new ATOM 0 HA GLU A 89 16.366 5.732 5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.228 7.665 4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.214 6.771 2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.992 6.987 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.890 5.927 3.927 1.00 0.00 H new ATOM 1318 N ASP A 90 15.741 3.660 2.949 1.00 0.00 N ATOM 1319 CA ASP A 90 14.979 2.480 2.556 1.00 0.00 C ATOM 1320 C ASP A 90 15.227 1.325 3.526 1.00 0.00 C ATOM 1321 O ASP A 90 14.446 0.376 3.589 1.00 0.00 O ATOM 1322 CB ASP A 90 15.367 2.067 1.134 1.00 0.00 C ATOM 1323 CG ASP A 90 14.931 0.656 0.792 1.00 0.00 C ATOM 1324 OD1 ASP A 90 13.738 0.340 0.978 1.00 0.00 O ATOM 1325 OD2 ASP A 90 15.785 -0.132 0.336 1.00 0.00 O ATOM 0 H ASP A 90 16.480 3.918 2.295 1.00 0.00 H new ATOM 0 HA ASP A 90 13.917 2.725 2.584 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.920 2.763 0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.448 2.146 1.020 1.00 0.00 H new ATOM 1330 N THR A 91 16.320 1.416 4.277 1.00 0.00 N ATOM 1331 CA THR A 91 16.678 0.380 5.242 1.00 0.00 C ATOM 1332 C THR A 91 15.609 0.222 6.320 1.00 0.00 C ATOM 1333 O THR A 91 15.611 0.941 7.319 1.00 0.00 O ATOM 1334 CB THR A 91 18.025 0.693 5.920 1.00 0.00 C ATOM 1335 OG1 THR A 91 18.956 1.195 4.954 1.00 0.00 O ATOM 1336 CG2 THR A 91 18.596 -0.549 6.588 1.00 0.00 C ATOM 0 H THR A 91 16.974 2.197 4.236 1.00 0.00 H new ATOM 0 HA THR A 91 16.760 -0.552 4.683 1.00 0.00 H new ATOM 0 HB THR A 91 17.854 1.451 6.685 1.00 0.00 H new ATOM 0 HG1 THR A 91 19.809 1.393 5.394 1.00 0.00 H new ATOM 0 HG21 THR A 91 19.547 -0.303 7.060 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.898 -0.909 7.344 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.752 -1.326 5.839 1.00 0.00 H new ATOM 1344 N ALA A 92 14.702 -0.730 6.110 1.00 0.00 N ATOM 1345 CA ALA A 92 13.626 -0.996 7.061 1.00 0.00 C ATOM 1346 C ALA A 92 12.772 -2.177 6.607 1.00 0.00 C ATOM 1347 O ALA A 92 13.142 -2.903 5.685 1.00 0.00 O ATOM 1348 CB ALA A 92 12.758 0.242 7.241 1.00 0.00 C ATOM 0 H ALA A 92 14.692 -1.332 5.286 1.00 0.00 H new ATOM 0 HA ALA A 92 14.079 -1.252 8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.961 0.027 7.953 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.369 1.063 7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.322 0.523 6.282 1.00 0.00 H new ATOM 1354 N VAL A 93 11.621 -2.352 7.250 1.00 0.00 N ATOM 1355 CA VAL A 93 10.704 -3.434 6.902 1.00 0.00 C ATOM 1356 C VAL A 93 9.464 -2.868 6.229 1.00 0.00 C ATOM 1357 O VAL A 93 8.811 -1.981 6.771 1.00 0.00 O ATOM 1358 CB VAL A 93 10.280 -4.249 8.140 1.00 0.00 C ATOM 1359 CG1 VAL A 93 9.488 -5.476 7.720 1.00 0.00 C ATOM 1360 CG2 VAL A 93 11.495 -4.654 8.957 1.00 0.00 C ATOM 0 H VAL A 93 11.301 -1.758 8.015 1.00 0.00 H new ATOM 0 HA VAL A 93 11.232 -4.100 6.220 1.00 0.00 H new ATOM 0 HB VAL A 93 9.643 -3.621 8.763 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.196 -6.041 8.605 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.595 -5.165 7.177 1.00 0.00 H new ATOM 0 HG13 VAL A 93 10.104 -6.104 7.076 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.174 -5.228 9.826 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.159 -5.264 8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.025 -3.761 9.288 1.00 0.00 H new ATOM 1370 N TYR A 94 9.153 -3.358 5.037 1.00 0.00 N ATOM 1371 CA TYR A 94 8.001 -2.852 4.301 1.00 0.00 C ATOM 1372 C TYR A 94 6.819 -3.813 4.328 1.00 0.00 C ATOM 1373 O TYR A 94 6.978 -5.031 4.231 1.00 0.00 O ATOM 1374 CB TYR A 94 8.394 -2.546 2.856 1.00 0.00 C ATOM 1375 CG TYR A 94 9.346 -1.378 2.731 1.00 0.00 C ATOM 1376 CD1 TYR A 94 10.650 -1.470 3.203 1.00 0.00 C ATOM 1377 CD2 TYR A 94 8.940 -0.182 2.153 1.00 0.00 C ATOM 1378 CE1 TYR A 94 11.521 -0.405 3.101 1.00 0.00 C ATOM 1379 CE2 TYR A 94 9.809 0.889 2.047 1.00 0.00 C ATOM 1380 CZ TYR A 94 11.096 0.772 2.524 1.00 0.00 C ATOM 1381 OH TYR A 94 11.963 1.835 2.424 1.00 0.00 O ATOM 0 H TYR A 94 9.674 -4.096 4.563 1.00 0.00 H new ATOM 0 HA TYR A 94 7.681 -1.937 4.799 1.00 0.00 H new ATOM 0 HB2 TYR A 94 8.855 -3.431 2.417 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.494 -2.336 2.278 1.00 0.00 H new ATOM 0 HD1 TYR A 94 10.987 -2.390 3.657 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.931 -0.087 1.781 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.532 -0.493 3.472 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.480 1.812 1.593 1.00 0.00 H new ATOM 0 HH TYR A 94 11.897 2.228 1.529 1.00 0.00 H new ATOM 1391 N TYR A 95 5.628 -3.233 4.442 1.00 0.00 N ATOM 1392 CA TYR A 95 4.384 -3.988 4.461 1.00 0.00 C ATOM 1393 C TYR A 95 3.362 -3.315 3.551 1.00 0.00 C ATOM 1394 O TYR A 95 3.530 -2.160 3.161 1.00 0.00 O ATOM 1395 CB TYR A 95 3.804 -4.079 5.880 1.00 0.00 C ATOM 1396 CG TYR A 95 4.831 -4.031 6.992 1.00 0.00 C ATOM 1397 CD1 TYR A 95 5.264 -2.819 7.519 1.00 0.00 C ATOM 1398 CD2 TYR A 95 5.355 -5.201 7.523 1.00 0.00 C ATOM 1399 CE1 TYR A 95 6.191 -2.779 8.541 1.00 0.00 C ATOM 1400 CE2 TYR A 95 6.283 -5.167 8.546 1.00 0.00 C ATOM 1401 CZ TYR A 95 6.698 -3.953 9.051 1.00 0.00 C ATOM 1402 OH TYR A 95 7.622 -3.914 10.070 1.00 0.00 O ATOM 0 H TYR A 95 5.500 -2.224 4.524 1.00 0.00 H new ATOM 0 HA TYR A 95 4.600 -4.997 4.109 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.098 -3.261 6.022 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.238 -5.007 5.967 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.869 -1.895 7.123 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.032 -6.154 7.130 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.518 -1.830 8.939 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.681 -6.087 8.948 1.00 0.00 H new ATOM 0 HH TYR A 95 7.877 -4.828 10.315 1.00 0.00 H new ATOM 1412 N CYS A 96 2.297 -4.034 3.233 1.00 0.00 N ATOM 1413 CA CYS A 96 1.235 -3.504 2.392 1.00 0.00 C ATOM 1414 C CYS A 96 -0.100 -3.734 3.076 1.00 0.00 C ATOM 1415 O CYS A 96 -0.293 -4.759 3.726 1.00 0.00 O ATOM 1416 CB CYS A 96 1.252 -4.169 1.013 1.00 0.00 C ATOM 1417 SG CYS A 96 0.160 -5.620 0.868 1.00 0.00 S ATOM 0 H CYS A 96 2.145 -4.992 3.547 1.00 0.00 H new ATOM 0 HA CYS A 96 1.391 -2.435 2.248 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.960 -3.433 0.264 1.00 0.00 H new ATOM 0 HB3 CYS A 96 2.273 -4.472 0.781 1.00 0.00 H new ATOM 1422 N ALA A 97 -1.012 -2.779 2.961 1.00 0.00 N ATOM 1423 CA ALA A 97 -2.311 -2.915 3.611 1.00 0.00 C ATOM 1424 C ALA A 97 -3.412 -2.135 2.903 1.00 0.00 C ATOM 1425 O ALA A 97 -3.148 -1.265 2.071 1.00 0.00 O ATOM 1426 CB ALA A 97 -2.215 -2.476 5.061 1.00 0.00 C ATOM 0 H ALA A 97 -0.882 -1.915 2.434 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.583 -3.969 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.189 -2.581 5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.487 -3.098 5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.900 -1.434 5.105 1.00 0.00 H new ATOM 1432 N LYS A 98 -4.652 -2.463 3.260 1.00 0.00 N ATOM 1433 CA LYS A 98 -5.827 -1.815 2.693 1.00 0.00 C ATOM 1434 C LYS A 98 -6.149 -0.534 3.459 1.00 0.00 C ATOM 1435 O LYS A 98 -5.975 -0.470 4.676 1.00 0.00 O ATOM 1436 CB LYS A 98 -7.023 -2.777 2.738 1.00 0.00 C ATOM 1437 CG LYS A 98 -8.375 -2.093 2.603 1.00 0.00 C ATOM 1438 CD LYS A 98 -9.322 -2.509 3.717 1.00 0.00 C ATOM 1439 CE LYS A 98 -9.174 -1.616 4.937 1.00 0.00 C ATOM 1440 NZ LYS A 98 -10.490 -1.120 5.425 1.00 0.00 N ATOM 0 H LYS A 98 -4.868 -3.184 3.949 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.620 -1.553 1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.917 -3.509 1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.998 -3.327 3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.241 -1.011 2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.815 -2.342 1.637 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.350 -2.467 3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.124 -3.544 3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.677 -2.169 5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.535 -0.768 4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.350 -0.556 6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.931 -0.528 4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.109 -1.929 5.636 1.00 0.00 H new ATOM 1454 N TYR A 99 -6.617 0.482 2.742 1.00 0.00 N ATOM 1455 CA TYR A 99 -6.958 1.758 3.363 1.00 0.00 C ATOM 1456 C TYR A 99 -8.408 1.767 3.833 1.00 0.00 C ATOM 1457 O TYR A 99 -9.268 1.115 3.241 1.00 0.00 O ATOM 1458 CB TYR A 99 -6.719 2.911 2.385 1.00 0.00 C ATOM 1459 CG TYR A 99 -5.713 3.923 2.884 1.00 0.00 C ATOM 1460 CD1 TYR A 99 -6.116 5.013 3.645 1.00 0.00 C ATOM 1461 CD2 TYR A 99 -4.361 3.785 2.599 1.00 0.00 C ATOM 1462 CE1 TYR A 99 -5.198 5.938 4.108 1.00 0.00 C ATOM 1463 CE2 TYR A 99 -3.438 4.705 3.057 1.00 0.00 C ATOM 1464 CZ TYR A 99 -3.861 5.779 3.811 1.00 0.00 C ATOM 1465 OH TYR A 99 -2.944 6.697 4.270 1.00 0.00 O ATOM 0 H TYR A 99 -6.769 0.448 1.734 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.313 1.890 4.232 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -6.374 2.505 1.434 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.666 3.416 2.192 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -7.163 5.140 3.879 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -4.026 2.945 2.010 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -5.527 6.780 4.699 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.390 4.584 2.826 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.046 6.439 3.974 1.00 0.00 H new ATOM 1475 N SER A 100 -8.669 2.510 4.903 1.00 0.00 N ATOM 1476 CA SER A 100 -10.012 2.609 5.461 1.00 0.00 C ATOM 1477 C SER A 100 -10.488 4.058 5.473 1.00 0.00 C ATOM 1478 O SER A 100 -11.634 4.349 5.128 1.00 0.00 O ATOM 1479 CB SER A 100 -10.037 2.043 6.882 1.00 0.00 C ATOM 1480 OG SER A 100 -8.868 1.288 7.150 1.00 0.00 O ATOM 0 H SER A 100 -7.965 3.054 5.402 1.00 0.00 H new ATOM 0 HA SER A 100 -10.686 2.027 4.832 1.00 0.00 H new ATOM 0 HB2 SER A 100 -10.120 2.859 7.600 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.918 1.414 7.011 1.00 0.00 H new ATOM 0 HG SER A 100 -8.907 0.938 8.065 1.00 0.00 H new ATOM 1486 N GLY A 101 -9.598 4.962 5.871 1.00 0.00 N ATOM 1487 CA GLY A 101 -9.941 6.371 5.922 1.00 0.00 C ATOM 1488 C GLY A 101 -8.748 7.267 5.653 1.00 0.00 C ATOM 1489 O GLY A 101 -8.582 7.772 4.543 1.00 0.00 O ATOM 0 H GLY A 101 -8.644 4.743 6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.721 6.579 5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.355 6.606 6.903 1.00 0.00 H new ATOM 1493 N GLY A 102 -7.916 7.465 6.673 1.00 0.00 N ATOM 1494 CA GLY A 102 -6.743 8.306 6.522 1.00 0.00 C ATOM 1495 C GLY A 102 -5.490 7.668 7.091 1.00 0.00 C ATOM 1496 O GLY A 102 -4.423 8.281 7.097 1.00 0.00 O ATOM 0 H GLY A 102 -8.034 7.058 7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.589 8.521 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.918 9.260 7.019 1.00 0.00 H new ATOM 1500 N ALA A 103 -5.622 6.435 7.570 1.00 0.00 N ATOM 1501 CA ALA A 103 -4.494 5.710 8.145 1.00 0.00 C ATOM 1502 C ALA A 103 -4.465 4.268 7.650 1.00 0.00 C ATOM 1503 O ALA A 103 -5.485 3.734 7.215 1.00 0.00 O ATOM 1504 CB ALA A 103 -4.566 5.747 9.665 1.00 0.00 C ATOM 0 H ALA A 103 -6.500 5.916 7.571 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.574 6.197 7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.719 5.203 10.083 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.536 6.782 10.006 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.495 5.283 9.997 1.00 0.00 H new ATOM 1510 N LEU A 104 -3.293 3.641 7.715 1.00 0.00 N ATOM 1511 CA LEU A 104 -3.149 2.260 7.268 1.00 0.00 C ATOM 1512 C LEU A 104 -2.909 1.318 8.440 1.00 0.00 C ATOM 1513 O LEU A 104 -2.458 1.734 9.507 1.00 0.00 O ATOM 1514 CB LEU A 104 -2.001 2.126 6.262 1.00 0.00 C ATOM 1515 CG LEU A 104 -2.094 0.895 5.359 1.00 0.00 C ATOM 1516 CD1 LEU A 104 -3.291 1.002 4.442 1.00 0.00 C ATOM 1517 CD2 LEU A 104 -0.834 0.719 4.535 1.00 0.00 C ATOM 0 H LEU A 104 -2.436 4.064 8.070 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.084 1.981 6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.975 3.019 5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.058 2.091 6.808 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.209 0.023 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.342 0.118 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.201 1.074 5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.194 1.891 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.932 -0.164 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.684 1.598 3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.021 0.597 5.200 1.00 0.00 H new ATOM 1529 N ASP A 105 -3.207 0.042 8.223 1.00 0.00 N ATOM 1530 CA ASP A 105 -3.021 -0.976 9.247 1.00 0.00 C ATOM 1531 C ASP A 105 -1.704 -1.716 9.023 1.00 0.00 C ATOM 1532 O ASP A 105 -1.232 -2.445 9.896 1.00 0.00 O ATOM 1533 CB ASP A 105 -4.195 -1.953 9.235 1.00 0.00 C ATOM 1534 CG ASP A 105 -4.809 -2.138 10.609 1.00 0.00 C ATOM 1535 OD1 ASP A 105 -4.346 -3.029 11.352 1.00 0.00 O ATOM 1536 OD2 ASP A 105 -5.754 -1.391 10.942 1.00 0.00 O ATOM 0 H ASP A 105 -3.580 -0.312 7.342 1.00 0.00 H new ATOM 0 HA ASP A 105 -2.982 -0.492 10.223 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.958 -1.591 8.545 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -3.857 -2.918 8.859 1.00 0.00 H new ATOM 1541 N ALA A 106 -1.114 -1.492 7.846 1.00 0.00 N ATOM 1542 CA ALA A 106 0.168 -2.089 7.464 1.00 0.00 C ATOM 1543 C ALA A 106 0.053 -3.559 7.062 1.00 0.00 C ATOM 1544 O ALA A 106 0.461 -3.931 5.963 1.00 0.00 O ATOM 1545 CB ALA A 106 1.186 -1.909 8.576 1.00 0.00 C ATOM 0 H ALA A 106 -1.514 -0.888 7.128 1.00 0.00 H new ATOM 0 HA ALA A 106 0.509 -1.558 6.575 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.134 -2.358 8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.332 -0.846 8.767 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.824 -2.394 9.483 1.00 0.00 H new ATOM 1551 N TRP A 107 -0.490 -4.388 7.947 1.00 0.00 N ATOM 1552 CA TRP A 107 -0.645 -5.819 7.676 1.00 0.00 C ATOM 1553 C TRP A 107 0.624 -6.405 7.050 1.00 0.00 C ATOM 1554 O TRP A 107 1.726 -5.907 7.282 1.00 0.00 O ATOM 1555 CB TRP A 107 -1.848 -6.058 6.756 1.00 0.00 C ATOM 1556 CG TRP A 107 -3.145 -5.568 7.322 1.00 0.00 C ATOM 1557 CD1 TRP A 107 -3.381 -5.159 8.601 1.00 0.00 C ATOM 1558 CD2 TRP A 107 -4.386 -5.442 6.624 1.00 0.00 C ATOM 1559 NE1 TRP A 107 -4.696 -4.787 8.742 1.00 0.00 N ATOM 1560 CE2 TRP A 107 -5.334 -4.949 7.540 1.00 0.00 C ATOM 1561 CE3 TRP A 107 -4.787 -5.696 5.313 1.00 0.00 C ATOM 1562 CZ2 TRP A 107 -6.659 -4.705 7.182 1.00 0.00 C ATOM 1563 CZ3 TRP A 107 -6.100 -5.455 4.958 1.00 0.00 C ATOM 1564 CH2 TRP A 107 -7.022 -4.962 5.889 1.00 0.00 C ATOM 0 H TRP A 107 -0.832 -4.095 8.862 1.00 0.00 H new ATOM 0 HA TRP A 107 -0.818 -6.325 8.626 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -1.668 -5.563 5.802 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -1.931 -7.125 6.551 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -2.642 -5.131 9.388 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.127 -4.446 9.601 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -4.083 -6.075 4.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -7.372 -4.327 7.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -6.421 -5.650 3.945 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -8.041 -4.781 5.580 1.00 0.00 H new ATOM 1575 N GLY A 108 0.463 -7.461 6.252 1.00 0.00 N ATOM 1576 CA GLY A 108 1.600 -8.085 5.605 1.00 0.00 C ATOM 1577 C GLY A 108 2.451 -8.893 6.565 1.00 0.00 C ATOM 1578 O GLY A 108 2.268 -8.821 7.780 1.00 0.00 O ATOM 0 H GLY A 108 -0.437 -7.893 6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.246 -8.735 4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.216 -7.315 5.140 1.00 0.00 H new ATOM 1582 N GLN A 109 3.380 -9.667 6.014 1.00 0.00 N ATOM 1583 CA GLN A 109 4.262 -10.499 6.822 1.00 0.00 C ATOM 1584 C GLN A 109 5.466 -9.704 7.316 1.00 0.00 C ATOM 1585 O GLN A 109 5.903 -9.869 8.456 1.00 0.00 O ATOM 1586 CB GLN A 109 4.728 -11.712 6.017 1.00 0.00 C ATOM 1587 CG GLN A 109 3.736 -12.864 6.034 1.00 0.00 C ATOM 1588 CD GLN A 109 4.369 -14.185 5.649 1.00 0.00 C ATOM 1589 OE1 GLN A 109 5.561 -14.403 5.865 1.00 0.00 O ATOM 1590 NE2 GLN A 109 3.571 -15.077 5.076 1.00 0.00 N ATOM 0 H GLN A 109 3.541 -9.735 5.009 1.00 0.00 H new ATOM 0 HA GLN A 109 3.701 -10.842 7.691 1.00 0.00 H new ATOM 0 HB2 GLN A 109 4.904 -11.408 4.985 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.682 -12.058 6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.302 -12.950 7.030 1.00 0.00 H new ATOM 0 HG3 GLN A 109 2.918 -12.644 5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 109 2.589 -14.854 4.916 1.00 0.00 H new ATOM 0 HE22 GLN A 109 3.940 -15.986 4.796 1.00 0.00 H new ATOM 1599 N GLY A 110 5.998 -8.841 6.456 1.00 0.00 N ATOM 1600 CA GLY A 110 7.145 -8.036 6.834 1.00 0.00 C ATOM 1601 C GLY A 110 8.395 -8.387 6.055 1.00 0.00 C ATOM 1602 O GLY A 110 9.142 -9.284 6.444 1.00 0.00 O ATOM 0 H GLY A 110 5.657 -8.685 5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 110 6.910 -6.983 6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 110 7.338 -8.166 7.899 1.00 0.00 H new ATOM 1606 N THR A 111 8.631 -7.672 4.958 1.00 0.00 N ATOM 1607 CA THR A 111 9.810 -7.913 4.138 1.00 0.00 C ATOM 1608 C THR A 111 11.001 -7.124 4.674 1.00 0.00 C ATOM 1609 O THR A 111 10.911 -5.914 4.890 1.00 0.00 O ATOM 1610 CB THR A 111 9.572 -7.544 2.660 1.00 0.00 C ATOM 1611 OG1 THR A 111 10.759 -7.790 1.899 1.00 0.00 O ATOM 1612 CG2 THR A 111 9.167 -6.086 2.512 1.00 0.00 C ATOM 0 H THR A 111 8.024 -6.926 4.620 1.00 0.00 H new ATOM 0 HA THR A 111 10.023 -8.981 4.189 1.00 0.00 H new ATOM 0 HB THR A 111 8.758 -8.165 2.286 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.024 -8.728 2.001 1.00 0.00 H new ATOM 0 HG21 THR A 111 9.007 -5.858 1.458 1.00 0.00 H new ATOM 0 HG22 THR A 111 8.246 -5.906 3.066 1.00 0.00 H new ATOM 0 HG23 THR A 111 9.958 -5.447 2.905 1.00 0.00 H new ATOM 1620 N GLN A 112 12.109 -7.819 4.903 1.00 0.00 N ATOM 1621 CA GLN A 112 13.310 -7.184 5.431 1.00 0.00 C ATOM 1622 C GLN A 112 14.149 -6.563 4.320 1.00 0.00 C ATOM 1623 O GLN A 112 14.778 -7.268 3.531 1.00 0.00 O ATOM 1624 CB GLN A 112 14.147 -8.199 6.209 1.00 0.00 C ATOM 1625 CG GLN A 112 15.177 -7.559 7.125 1.00 0.00 C ATOM 1626 CD GLN A 112 14.544 -6.694 8.198 1.00 0.00 C ATOM 1627 OE1 GLN A 112 13.674 -7.145 8.943 1.00 0.00 O ATOM 1628 NE2 GLN A 112 14.978 -5.442 8.282 1.00 0.00 N ATOM 0 H GLN A 112 12.201 -8.820 4.732 1.00 0.00 H new ATOM 0 HA GLN A 112 12.994 -6.385 6.102 1.00 0.00 H new ATOM 0 HB2 GLN A 112 13.483 -8.826 6.804 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.657 -8.855 5.503 1.00 0.00 H new ATOM 0 HG2 GLN A 112 15.773 -8.340 7.597 1.00 0.00 H new ATOM 0 HG3 GLN A 112 15.860 -6.952 6.530 1.00 0.00 H new ATOM 0 HE21 GLN A 112 15.701 -5.109 7.644 1.00 0.00 H new ATOM 0 HE22 GLN A 112 14.588 -4.813 8.984 1.00 0.00 H new ATOM 1637 N VAL A 113 14.160 -5.235 4.277 1.00 0.00 N ATOM 1638 CA VAL A 113 14.927 -4.503 3.278 1.00 0.00 C ATOM 1639 C VAL A 113 16.084 -3.763 3.941 1.00 0.00 C ATOM 1640 O VAL A 113 15.904 -3.108 4.968 1.00 0.00 O ATOM 1641 CB VAL A 113 14.047 -3.491 2.519 1.00 0.00 C ATOM 1642 CG1 VAL A 113 14.851 -2.788 1.437 1.00 0.00 C ATOM 1643 CG2 VAL A 113 12.828 -4.185 1.925 1.00 0.00 C ATOM 0 H VAL A 113 13.643 -4.642 4.926 1.00 0.00 H new ATOM 0 HA VAL A 113 15.313 -5.230 2.564 1.00 0.00 H new ATOM 0 HB VAL A 113 13.699 -2.737 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.212 -2.078 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 113 15.687 -2.257 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 113 15.231 -3.525 0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 113 12.218 -3.456 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.153 -4.961 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 113 12.240 -4.635 2.725 1.00 0.00 H new ATOM 1653 N THR A 114 17.275 -3.877 3.359 1.00 0.00 N ATOM 1654 CA THR A 114 18.452 -3.220 3.915 1.00 0.00 C ATOM 1655 C THR A 114 19.334 -2.623 2.826 1.00 0.00 C ATOM 1656 O THR A 114 19.324 -3.076 1.682 1.00 0.00 O ATOM 1657 CB THR A 114 19.292 -4.202 4.754 1.00 0.00 C ATOM 1658 OG1 THR A 114 18.431 -5.073 5.497 1.00 0.00 O ATOM 1659 CG2 THR A 114 20.209 -3.451 5.707 1.00 0.00 C ATOM 0 H THR A 114 17.449 -4.414 2.509 1.00 0.00 H new ATOM 0 HA THR A 114 18.086 -2.416 4.553 1.00 0.00 H new ATOM 0 HB THR A 114 19.906 -4.793 4.075 1.00 0.00 H new ATOM 0 HG1 THR A 114 18.973 -5.695 6.026 1.00 0.00 H new ATOM 0 HG21 THR A 114 20.792 -4.165 6.289 1.00 0.00 H new ATOM 0 HG22 THR A 114 20.883 -2.812 5.136 1.00 0.00 H new ATOM 0 HG23 THR A 114 19.610 -2.837 6.380 1.00 0.00 H new ATOM 1667 N VAL A 115 20.102 -1.603 3.199 1.00 0.00 N ATOM 1668 CA VAL A 115 21.002 -0.934 2.268 1.00 0.00 C ATOM 1669 C VAL A 115 22.426 -0.919 2.813 1.00 0.00 C ATOM 1670 O VAL A 115 22.639 -0.735 4.011 1.00 0.00 O ATOM 1671 CB VAL A 115 20.557 0.516 1.994 1.00 0.00 C ATOM 1672 CG1 VAL A 115 21.234 1.055 0.743 1.00 0.00 C ATOM 1673 CG2 VAL A 115 19.043 0.595 1.868 1.00 0.00 C ATOM 0 H VAL A 115 20.118 -1.221 4.145 1.00 0.00 H new ATOM 0 HA VAL A 115 20.970 -1.495 1.334 1.00 0.00 H new ATOM 0 HB VAL A 115 20.860 1.136 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 115 20.908 2.080 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.315 1.037 0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 115 20.965 0.435 -0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 115 18.747 1.626 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 115 18.713 -0.038 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 115 18.582 0.253 2.795 1.00 0.00 H new ATOM 1683 N SER A 116 23.400 -1.115 1.929 1.00 0.00 N ATOM 1684 CA SER A 116 24.803 -1.125 2.333 1.00 0.00 C ATOM 1685 C SER A 116 25.721 -0.862 1.144 1.00 0.00 C ATOM 1686 O SER A 116 25.388 -1.186 0.005 1.00 0.00 O ATOM 1687 CB SER A 116 25.159 -2.466 2.976 1.00 0.00 C ATOM 1688 OG SER A 116 25.238 -3.494 2.004 1.00 0.00 O ATOM 0 H SER A 116 23.245 -1.268 0.933 1.00 0.00 H new ATOM 0 HA SER A 116 24.947 -0.327 3.061 1.00 0.00 H new ATOM 0 HB2 SER A 116 26.112 -2.381 3.498 1.00 0.00 H new ATOM 0 HB3 SER A 116 24.409 -2.725 3.723 1.00 0.00 H new ATOM 0 HG SER A 116 25.469 -4.340 2.441 1.00 0.00 H new