USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 717 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 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 109 THR OG1 : rot -170:sc= 0 USER MOD Set 1.3: A 111 SER OG : rot 180:sc= -0.147 USER MOD Single : A 24 GLN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 25 ASN : amide:sc= 0.051 K(o=0.051,f=-6.4!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -110:sc= 0.0136 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.255 K(o=-0.26,f=-2.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 58 THR OG1 : rot -51:sc= 0.341 USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= -0.79 (180deg=-0.852) USER MOD Single : A 65 SER OG : rot 180:sc= -0.978 USER MOD Single : A 67 GLN : amide:sc= -0.0691 K(o=-0.069,f=-1.7!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -2.27 K(o=-2.3,f=-12!) USER MOD Single : A 83 SER OG : rot 15:sc= 1.11 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 102 MET CE :methyl 162:sc= 0 (180deg=-0.216) USER MOD Single : A 103 ASN : amide:sc= -0.262 K(o=-0.26,f=-1.9!) USER MOD Single : A 105 ASN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -5.09! C(o=-5.1!,f=-3.5!) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.0235 K(o=-0.023,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 30 N ALA A 23 5.851 -3.485 -11.865 1.00 0.00 N ATOM 31 CA ALA A 23 6.309 -2.893 -10.613 1.00 0.00 C ATOM 32 C ALA A 23 7.042 -1.579 -10.861 1.00 0.00 C ATOM 33 O ALA A 23 7.531 -1.327 -11.962 1.00 0.00 O ATOM 34 CB ALA A 23 7.208 -3.869 -9.876 1.00 0.00 C ATOM 0 HA ALA A 23 5.436 -2.678 -9.997 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.545 -3.419 -8.942 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.653 -4.782 -9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.072 -4.108 -10.497 1.00 0.00 H new ATOM 40 N GLN A 24 7.114 -0.745 -9.836 1.00 0.00 N ATOM 41 CA GLN A 24 7.788 0.544 -9.933 1.00 0.00 C ATOM 42 C GLN A 24 9.034 0.580 -9.055 1.00 0.00 C ATOM 43 O GLN A 24 9.164 -0.202 -8.113 1.00 0.00 O ATOM 44 CB GLN A 24 6.838 1.675 -9.530 1.00 0.00 C ATOM 45 CG GLN A 24 5.616 1.794 -10.436 1.00 0.00 C ATOM 46 CD GLN A 24 5.840 2.739 -11.593 1.00 0.00 C ATOM 47 OE1 GLN A 24 5.312 3.850 -11.615 1.00 0.00 O ATOM 48 NE2 GLN A 24 6.624 2.298 -12.570 1.00 0.00 N ATOM 0 H GLN A 24 6.711 -0.938 -8.919 1.00 0.00 H new ATOM 0 HA GLN A 24 8.092 0.684 -10.970 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.506 1.512 -8.505 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.383 2.619 -9.542 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.357 0.808 -10.822 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.765 2.140 -9.849 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.041 1.369 -12.509 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.809 2.888 -13.381 1.00 0.00 H new ATOM 57 N ASN A 25 9.946 1.494 -9.369 1.00 0.00 N ATOM 58 CA ASN A 25 11.184 1.635 -8.616 1.00 0.00 C ATOM 59 C ASN A 25 11.212 2.967 -7.867 1.00 0.00 C ATOM 60 O ASN A 25 11.295 4.030 -8.492 1.00 0.00 O ATOM 61 CB ASN A 25 12.394 1.527 -9.537 1.00 0.00 C ATOM 62 CG ASN A 25 12.303 2.471 -10.719 1.00 0.00 C ATOM 63 OD1 ASN A 25 11.230 2.671 -11.287 1.00 0.00 O ATOM 64 ND2 ASN A 25 13.433 3.058 -11.097 1.00 0.00 N ATOM 0 H ASN A 25 9.849 2.150 -10.144 1.00 0.00 H new ATOM 0 HA ASN A 25 11.228 0.824 -7.889 1.00 0.00 H new ATOM 0 HB2 ASN A 25 13.300 1.744 -8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.482 0.503 -9.899 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.433 3.703 -11.887 1.00 0.00 H new ATOM 0 HD22 ASN A 25 14.301 2.863 -10.597 1.00 0.00 H new ATOM 71 N ILE A 26 11.139 2.906 -6.541 1.00 0.00 N ATOM 72 CA ILE A 26 11.152 4.110 -5.728 1.00 0.00 C ATOM 73 C ILE A 26 12.161 3.996 -4.581 1.00 0.00 C ATOM 74 O ILE A 26 12.264 2.956 -3.930 1.00 0.00 O ATOM 75 CB ILE A 26 9.760 4.400 -5.127 1.00 0.00 C ATOM 76 CG1 ILE A 26 8.692 4.360 -6.222 1.00 0.00 C ATOM 77 CG2 ILE A 26 9.752 5.749 -4.423 1.00 0.00 C ATOM 78 CD1 ILE A 26 7.328 3.941 -5.728 1.00 0.00 C ATOM 0 H ILE A 26 11.071 2.037 -6.011 1.00 0.00 H new ATOM 0 HA ILE A 26 11.440 4.927 -6.389 1.00 0.00 H new ATOM 0 HB ILE A 26 9.532 3.629 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.616 5.347 -6.678 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.012 3.671 -7.004 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.762 5.936 -4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.489 5.745 -3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.998 6.534 -5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.625 3.936 -6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.388 2.941 -5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.985 4.643 -4.968 1.00 0.00 H new ATOM 90 N THR A 27 12.900 5.076 -4.346 1.00 0.00 N ATOM 91 CA THR A 27 13.899 5.103 -3.283 1.00 0.00 C ATOM 92 C THR A 27 13.345 5.793 -2.048 1.00 0.00 C ATOM 93 O THR A 27 12.736 6.859 -2.129 1.00 0.00 O ATOM 94 CB THR A 27 15.162 5.821 -3.768 1.00 0.00 C ATOM 95 OG1 THR A 27 14.831 6.998 -4.475 1.00 0.00 O ATOM 96 CG2 THR A 27 16.031 4.968 -4.659 1.00 0.00 C ATOM 0 H THR A 27 12.826 5.944 -4.877 1.00 0.00 H new ATOM 0 HA THR A 27 14.154 4.077 -3.019 1.00 0.00 H new ATOM 0 HB THR A 27 15.725 6.055 -2.865 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.652 7.442 -4.774 1.00 0.00 H new ATOM 0 HG21 THR A 27 16.908 5.538 -4.966 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.349 4.079 -4.114 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.465 4.670 -5.541 1.00 0.00 H new ATOM 104 N ALA A 28 13.559 5.176 -0.883 1.00 0.00 N ATOM 105 CA ALA A 28 13.077 5.730 0.363 1.00 0.00 C ATOM 106 C ALA A 28 14.141 5.634 1.451 1.00 0.00 C ATOM 107 O ALA A 28 15.102 4.875 1.331 1.00 0.00 O ATOM 108 CB ALA A 28 11.808 5.015 0.808 1.00 0.00 C ATOM 0 H ALA A 28 14.063 4.294 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 28 12.849 6.783 0.197 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.459 5.444 1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.037 5.133 0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.018 3.955 0.950 1.00 0.00 H new ATOM 114 N ARG A 29 13.961 6.411 2.515 1.00 0.00 N ATOM 115 CA ARG A 29 14.904 6.415 3.636 1.00 0.00 C ATOM 116 C ARG A 29 14.296 5.744 4.864 1.00 0.00 C ATOM 117 O ARG A 29 13.083 5.791 5.065 1.00 0.00 O ATOM 118 CB ARG A 29 15.315 7.848 3.966 1.00 0.00 C ATOM 119 CG ARG A 29 16.463 7.934 4.958 1.00 0.00 C ATOM 120 CD ARG A 29 16.449 9.255 5.710 1.00 0.00 C ATOM 121 NE ARG A 29 16.826 9.090 7.120 1.00 0.00 N ATOM 122 CZ ARG A 29 17.244 10.086 7.890 1.00 0.00 C ATOM 123 NH1 ARG A 29 17.337 11.319 7.407 1.00 0.00 N ATOM 124 NH2 ARG A 29 17.568 9.849 9.154 1.00 0.00 N ATOM 0 H ARG A 29 13.172 7.047 2.627 1.00 0.00 H new ATOM 0 HA ARG A 29 15.788 5.848 3.344 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.601 8.357 3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.454 8.381 4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.395 7.109 5.667 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.411 7.824 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 29 17.136 9.952 5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.454 9.696 5.650 1.00 0.00 H new ATOM 0 HE ARG A 29 16.763 8.158 7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 29 17.086 11.507 6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 29 17.659 12.079 8.007 1.00 0.00 H new ATOM 0 HH21 ARG A 29 17.495 8.904 9.531 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.890 10.612 9.750 1.00 0.00 H new ATOM 138 N ILE A 30 15.145 5.117 5.665 1.00 0.00 N ATOM 139 CA ILE A 30 14.686 4.433 6.873 1.00 0.00 C ATOM 140 C ILE A 30 14.315 5.428 7.969 1.00 0.00 C ATOM 141 O ILE A 30 15.096 6.320 8.312 1.00 0.00 O ATOM 142 CB ILE A 30 15.743 3.452 7.427 1.00 0.00 C ATOM 143 CG1 ILE A 30 17.155 4.021 7.273 1.00 0.00 C ATOM 144 CG2 ILE A 30 15.633 2.104 6.740 1.00 0.00 C ATOM 145 CD1 ILE A 30 18.057 3.727 8.451 1.00 0.00 C ATOM 0 H ILE A 30 16.151 5.066 5.505 1.00 0.00 H new ATOM 0 HA ILE A 30 13.803 3.866 6.580 1.00 0.00 H new ATOM 0 HB ILE A 30 15.549 3.314 8.491 1.00 0.00 H new ATOM 0 HG12 ILE A 30 17.606 3.612 6.369 1.00 0.00 H new ATOM 0 HG13 ILE A 30 17.090 5.100 7.136 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.386 1.427 7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.641 1.688 6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.793 2.227 5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.041 4.160 8.273 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.628 4.160 9.355 1.00 0.00 H new ATOM 0 HD13 ILE A 30 18.153 2.648 8.576 1.00 0.00 H new ATOM 157 N GLY A 31 13.120 5.262 8.536 1.00 0.00 N ATOM 158 CA GLY A 31 12.662 6.146 9.586 1.00 0.00 C ATOM 159 C GLY A 31 12.149 7.480 9.080 1.00 0.00 C ATOM 160 O GLY A 31 11.737 8.333 9.857 1.00 0.00 O ATOM 0 H GLY A 31 12.461 4.526 8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.869 5.650 10.146 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.481 6.323 10.283 1.00 0.00 H new ATOM 164 N GLU A 32 12.174 7.666 7.754 1.00 0.00 N ATOM 165 CA GLU A 32 11.706 8.911 7.153 1.00 0.00 C ATOM 166 C GLU A 32 10.264 8.776 6.663 1.00 0.00 C ATOM 167 O GLU A 32 9.917 7.793 6.010 1.00 0.00 O ATOM 168 CB GLU A 32 12.614 9.309 5.989 1.00 0.00 C ATOM 169 CG GLU A 32 12.450 10.758 5.564 1.00 0.00 C ATOM 170 CD GLU A 32 13.063 11.734 6.548 1.00 0.00 C ATOM 171 OE1 GLU A 32 14.061 11.367 7.195 1.00 0.00 O ATOM 172 OE2 GLU A 32 12.546 12.864 6.664 1.00 0.00 O ATOM 0 H GLU A 32 12.511 6.973 7.086 1.00 0.00 H new ATOM 0 HA GLU A 32 11.739 9.688 7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.652 9.137 6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.405 8.662 5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.910 10.899 4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.389 10.981 5.452 1.00 0.00 H new ATOM 179 N PRO A 33 9.400 9.765 6.966 1.00 0.00 N ATOM 180 CA PRO A 33 7.995 9.741 6.542 1.00 0.00 C ATOM 181 C PRO A 33 7.857 9.780 5.023 1.00 0.00 C ATOM 182 O PRO A 33 8.681 10.379 4.333 1.00 0.00 O ATOM 183 CB PRO A 33 7.397 11.011 7.163 1.00 0.00 C ATOM 184 CG PRO A 33 8.366 11.430 8.224 1.00 0.00 C ATOM 185 CD PRO A 33 9.715 10.977 7.739 1.00 0.00 C ATOM 0 HA PRO A 33 7.493 8.827 6.860 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.272 11.793 6.414 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.412 10.815 7.586 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.344 12.510 8.371 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.120 10.973 9.183 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.197 11.735 7.122 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.391 10.763 8.567 1.00 0.00 H new ATOM 193 N LEU A 34 6.812 9.140 4.507 1.00 0.00 N ATOM 194 CA LEU A 34 6.577 9.108 3.066 1.00 0.00 C ATOM 195 C LEU A 34 5.085 9.017 2.754 1.00 0.00 C ATOM 196 O LEU A 34 4.333 8.339 3.453 1.00 0.00 O ATOM 197 CB LEU A 34 7.314 7.925 2.444 1.00 0.00 C ATOM 198 CG LEU A 34 8.697 8.253 1.876 1.00 0.00 C ATOM 199 CD1 LEU A 34 9.745 8.250 2.973 1.00 0.00 C ATOM 200 CD2 LEU A 34 9.069 7.265 0.773 1.00 0.00 C ATOM 0 H LEU A 34 6.118 8.639 5.061 1.00 0.00 H new ATOM 0 HA LEU A 34 6.957 10.036 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.423 7.146 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.698 7.511 1.645 1.00 0.00 H new ATOM 0 HG LEU A 34 8.661 9.254 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.720 8.486 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.488 8.997 3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.781 7.265 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.055 7.513 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.084 6.254 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.334 7.322 -0.030 1.00 0.00 H new ATOM 212 N VAL A 35 4.669 9.705 1.695 1.00 0.00 N ATOM 213 CA VAL A 35 3.271 9.703 1.281 1.00 0.00 C ATOM 214 C VAL A 35 3.139 9.308 -0.171 1.00 0.00 C ATOM 215 O VAL A 35 3.937 9.726 -1.010 1.00 0.00 O ATOM 216 CB VAL A 35 2.617 11.084 1.496 1.00 0.00 C ATOM 217 CG1 VAL A 35 1.125 11.018 1.205 1.00 0.00 C ATOM 218 CG2 VAL A 35 2.877 11.593 2.899 1.00 0.00 C ATOM 0 H VAL A 35 5.281 10.271 1.108 1.00 0.00 H new ATOM 0 HA VAL A 35 2.755 8.971 1.902 1.00 0.00 H new ATOM 0 HB VAL A 35 3.068 11.790 0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.680 12.001 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.969 10.710 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.656 10.296 1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.406 12.568 3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.461 10.892 3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.951 11.686 3.059 1.00 0.00 H new ATOM 228 N LEU A 36 2.128 8.500 -0.484 1.00 0.00 N ATOM 229 CA LEU A 36 1.897 8.052 -1.852 1.00 0.00 C ATOM 230 C LEU A 36 0.404 7.966 -2.147 1.00 0.00 C ATOM 231 O LEU A 36 -0.412 7.769 -1.256 1.00 0.00 O ATOM 232 CB LEU A 36 2.557 6.691 -2.075 1.00 0.00 C ATOM 233 CG LEU A 36 3.708 6.693 -3.085 1.00 0.00 C ATOM 234 CD1 LEU A 36 4.205 5.277 -3.330 1.00 0.00 C ATOM 235 CD2 LEU A 36 3.272 7.340 -4.391 1.00 0.00 C ATOM 0 H LEU A 36 1.455 8.143 0.194 1.00 0.00 H new ATOM 0 HA LEU A 36 2.340 8.779 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.931 6.324 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.798 5.986 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 36 4.529 7.278 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.023 5.298 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.558 4.848 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.391 4.669 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.103 7.332 -5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.434 6.783 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.966 8.369 -4.203 1.00 0.00 H new ATOM 247 N LYS A 37 0.058 8.114 -3.422 1.00 0.00 N ATOM 248 CA LYS A 37 -1.335 8.051 -3.849 1.00 0.00 C ATOM 249 C LYS A 37 -1.583 6.810 -4.703 1.00 0.00 C ATOM 250 O LYS A 37 -0.982 6.645 -5.772 1.00 0.00 O ATOM 251 CB LYS A 37 -1.706 9.309 -4.644 1.00 0.00 C ATOM 252 CG LYS A 37 -1.482 10.598 -3.862 1.00 0.00 C ATOM 253 CD LYS A 37 -0.050 11.091 -4.002 1.00 0.00 C ATOM 254 CE LYS A 37 0.048 12.253 -4.978 1.00 0.00 C ATOM 255 NZ LYS A 37 0.108 13.565 -4.284 1.00 0.00 N ATOM 0 H LYS A 37 0.723 8.278 -4.177 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.960 7.994 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.116 9.340 -5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.753 9.248 -4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.169 11.366 -4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.709 10.431 -2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.326 11.401 -3.027 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.585 10.274 -4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.936 12.131 -5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.812 12.237 -5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.174 14.327 -4.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.751 13.695 -3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.943 13.592 -3.665 1.00 0.00 H new ATOM 269 N CYS A 38 -2.469 5.941 -4.230 1.00 0.00 N ATOM 270 CA CYS A 38 -2.795 4.714 -4.949 1.00 0.00 C ATOM 271 C CYS A 38 -4.144 4.833 -5.649 1.00 0.00 C ATOM 272 O CYS A 38 -5.195 4.689 -5.025 1.00 0.00 O ATOM 273 CB CYS A 38 -2.808 3.524 -3.989 1.00 0.00 C ATOM 274 SG CYS A 38 -2.096 1.999 -4.686 1.00 0.00 S ATOM 0 H CYS A 38 -2.974 6.063 -3.352 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.028 4.553 -5.706 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.256 3.791 -3.088 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.836 3.327 -3.686 1.00 0.00 H new ATOM 279 N LYS A 39 -4.107 5.096 -6.960 1.00 0.00 N ATOM 280 CA LYS A 39 -5.327 5.233 -7.748 1.00 0.00 C ATOM 281 C LYS A 39 -5.996 3.878 -7.956 1.00 0.00 C ATOM 282 O LYS A 39 -5.513 2.855 -7.461 1.00 0.00 O ATOM 283 CB LYS A 39 -5.015 5.872 -9.095 1.00 0.00 C ATOM 284 CG LYS A 39 -4.017 5.082 -9.925 1.00 0.00 C ATOM 285 CD LYS A 39 -4.716 4.098 -10.853 1.00 0.00 C ATOM 286 CE LYS A 39 -4.544 2.664 -10.378 1.00 0.00 C ATOM 287 NZ LYS A 39 -4.314 1.728 -11.513 1.00 0.00 N ATOM 0 H LYS A 39 -3.246 5.217 -7.492 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.015 5.876 -7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.941 5.980 -9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.624 6.876 -8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.408 5.768 -10.513 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.340 4.541 -9.264 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.778 4.339 -10.907 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.314 4.199 -11.861 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.704 2.609 -9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.432 2.355 -9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.202 0.761 -11.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.127 1.761 -12.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.452 2.007 -12.024 1.00 0.00 H new ATOM 301 N GLY A 40 -7.108 3.877 -8.684 1.00 0.00 N ATOM 302 CA GLY A 40 -7.823 2.642 -8.944 1.00 0.00 C ATOM 303 C GLY A 40 -9.312 2.859 -9.122 1.00 0.00 C ATOM 304 O GLY A 40 -9.947 2.178 -9.927 1.00 0.00 O ATOM 0 H GLY A 40 -7.526 4.710 -9.098 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.418 2.173 -9.841 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.656 1.949 -8.119 1.00 0.00 H new ATOM 421 N ARG A 48 -15.426 -0.578 -1.391 1.00 0.00 N ATOM 422 CA ARG A 48 -14.583 -1.600 -0.788 1.00 0.00 C ATOM 423 C ARG A 48 -13.172 -1.559 -1.368 1.00 0.00 C ATOM 424 O ARG A 48 -12.981 -1.222 -2.529 1.00 0.00 O ATOM 425 CB ARG A 48 -15.193 -2.988 -0.989 1.00 0.00 C ATOM 426 CG ARG A 48 -15.130 -3.873 0.236 1.00 0.00 C ATOM 427 CD ARG A 48 -15.630 -5.278 -0.051 1.00 0.00 C ATOM 428 NE ARG A 48 -14.531 -6.216 -0.263 1.00 0.00 N ATOM 429 CZ ARG A 48 -13.828 -6.770 0.716 1.00 0.00 C ATOM 430 NH1 ARG A 48 -14.108 -6.483 1.974 1.00 0.00 N ATOM 431 NH2 ARG A 48 -12.844 -7.613 0.436 1.00 0.00 N ATOM 0 HA ARG A 48 -14.521 -1.394 0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.235 -2.875 -1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.676 -3.485 -1.810 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.102 -3.920 0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.728 -3.431 1.033 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.245 -5.621 0.781 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.269 -5.262 -0.934 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.289 -6.460 -1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.865 -5.835 2.193 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.567 -6.909 2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.625 -7.837 -0.535 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.305 -8.037 1.191 1.00 0.00 H new ATOM 445 N LEU A 49 -12.188 -1.903 -0.537 1.00 0.00 N ATOM 446 CA LEU A 49 -10.795 -1.905 -0.976 1.00 0.00 C ATOM 447 C LEU A 49 -9.950 -2.805 -0.073 1.00 0.00 C ATOM 448 O LEU A 49 -10.219 -2.939 1.106 1.00 0.00 O ATOM 449 CB LEU A 49 -10.232 -0.483 -0.959 1.00 0.00 C ATOM 450 CG LEU A 49 -8.752 -0.367 -1.333 1.00 0.00 C ATOM 451 CD1 LEU A 49 -8.530 0.787 -2.298 1.00 0.00 C ATOM 452 CD2 LEU A 49 -7.900 -0.189 -0.092 1.00 0.00 C ATOM 0 H LEU A 49 -12.328 -2.181 0.434 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.758 -2.292 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.814 0.130 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.373 -0.065 0.038 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.453 -1.291 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.472 0.852 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.110 0.619 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.849 1.719 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.852 -0.109 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.204 0.718 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.031 -1.048 0.566 1.00 0.00 H new ATOM 464 N GLU A 50 -8.925 -3.418 -0.657 1.00 0.00 N ATOM 465 CA GLU A 50 -8.039 -4.306 0.080 1.00 0.00 C ATOM 466 C GLU A 50 -6.579 -4.021 -0.246 1.00 0.00 C ATOM 467 O GLU A 50 -6.247 -3.677 -1.379 1.00 0.00 O ATOM 468 CB GLU A 50 -8.371 -5.767 -0.218 1.00 0.00 C ATOM 469 CG GLU A 50 -8.345 -6.099 -1.702 1.00 0.00 C ATOM 470 CD GLU A 50 -9.399 -7.117 -2.089 1.00 0.00 C ATOM 471 OE1 GLU A 50 -9.772 -7.941 -1.236 1.00 0.00 O ATOM 472 OE2 GLU A 50 -9.851 -7.091 -3.253 1.00 0.00 O ATOM 0 H GLU A 50 -8.689 -3.314 -1.644 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.193 -4.122 1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.660 -6.408 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.359 -5.997 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.498 -5.186 -2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.360 -6.482 -1.968 1.00 0.00 H new ATOM 479 N TRP A 51 -5.710 -4.169 0.734 1.00 0.00 N ATOM 480 CA TRP A 51 -4.284 -3.928 0.545 1.00 0.00 C ATOM 481 C TRP A 51 -3.512 -5.243 0.503 1.00 0.00 C ATOM 482 O TRP A 51 -3.777 -6.154 1.286 1.00 0.00 O ATOM 483 CB TRP A 51 -3.743 -3.042 1.670 1.00 0.00 C ATOM 484 CG TRP A 51 -2.681 -2.088 1.224 1.00 0.00 C ATOM 485 CD1 TRP A 51 -2.775 -1.177 0.205 1.00 0.00 C ATOM 486 CD2 TRP A 51 -1.362 -1.953 1.758 1.00 0.00 C ATOM 487 NE1 TRP A 51 -1.596 -0.482 0.085 1.00 0.00 N ATOM 488 CE2 TRP A 51 -0.712 -0.940 1.027 1.00 0.00 C ATOM 489 CE3 TRP A 51 -0.666 -2.589 2.791 1.00 0.00 C ATOM 490 CZ2 TRP A 51 0.596 -0.550 1.304 1.00 0.00 C ATOM 491 CZ3 TRP A 51 0.634 -2.201 3.057 1.00 0.00 C ATOM 492 CH2 TRP A 51 1.253 -1.189 2.320 1.00 0.00 C ATOM 0 H TRP A 51 -5.964 -4.457 1.679 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.149 -3.417 -0.408 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.568 -2.477 2.104 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.341 -3.677 2.459 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.648 -1.027 -0.413 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.409 0.255 -0.595 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.136 -3.370 3.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.077 0.232 0.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.181 -2.690 3.850 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.268 -0.906 2.556 1.00 0.00 H new ATOM 503 N LYS A 52 -2.556 -5.334 -0.401 1.00 0.00 N ATOM 504 CA LYS A 52 -1.745 -6.539 -0.542 1.00 0.00 C ATOM 505 C LYS A 52 -0.312 -6.190 -0.933 1.00 0.00 C ATOM 506 O LYS A 52 -0.073 -5.219 -1.660 1.00 0.00 O ATOM 507 CB LYS A 52 -2.362 -7.477 -1.582 1.00 0.00 C ATOM 508 CG LYS A 52 -3.041 -8.692 -0.975 1.00 0.00 C ATOM 509 CD LYS A 52 -3.522 -9.657 -2.046 1.00 0.00 C ATOM 510 CE LYS A 52 -4.510 -10.666 -1.485 1.00 0.00 C ATOM 511 NZ LYS A 52 -3.857 -11.968 -1.170 1.00 0.00 N ATOM 0 H LYS A 52 -2.317 -4.587 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.722 -7.046 0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.090 -6.922 -2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.582 -7.811 -2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.346 -9.203 -0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.887 -8.371 -0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.991 -9.099 -2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.668 -10.182 -2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.968 -10.262 -0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.312 -10.827 -2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.180 -12.691 -1.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.825 -11.865 -1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.110 -12.259 -0.204 1.00 0.00 H new ATOM 525 N LEU A 53 0.637 -6.989 -0.464 1.00 0.00 N ATOM 526 CA LEU A 53 2.048 -6.767 -0.755 1.00 0.00 C ATOM 527 C LEU A 53 2.807 -8.090 -0.804 1.00 0.00 C ATOM 528 O LEU A 53 2.355 -9.094 -0.256 1.00 0.00 O ATOM 529 CB LEU A 53 2.672 -5.841 0.273 1.00 0.00 C ATOM 530 CG LEU A 53 2.561 -6.332 1.728 1.00 0.00 C ATOM 531 CD1 LEU A 53 3.933 -6.396 2.373 1.00 0.00 C ATOM 532 CD2 LEU A 53 1.630 -5.432 2.521 1.00 0.00 C ATOM 0 H LEU A 53 0.454 -7.802 0.124 1.00 0.00 H new ATOM 0 HA LEU A 53 2.117 -6.293 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.725 -5.705 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.198 -4.862 0.196 1.00 0.00 H new ATOM 0 HG LEU A 53 2.141 -7.338 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.836 -6.745 3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.566 -7.085 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.384 -5.404 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.562 -5.793 3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.019 -4.414 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.639 -5.443 2.067 1.00 0.00 H new ATOM 544 N ASN A 54 3.965 -8.081 -1.450 1.00 0.00 N ATOM 545 CA ASN A 54 4.786 -9.281 -1.561 1.00 0.00 C ATOM 546 C ASN A 54 6.217 -9.004 -1.110 1.00 0.00 C ATOM 547 O ASN A 54 6.902 -8.148 -1.670 1.00 0.00 O ATOM 548 CB ASN A 54 4.781 -9.797 -3.012 1.00 0.00 C ATOM 549 CG ASN A 54 4.033 -11.109 -3.145 1.00 0.00 C ATOM 550 OD1 ASN A 54 3.805 -11.815 -2.163 1.00 0.00 O ATOM 551 ND2 ASN A 54 3.648 -11.441 -4.371 1.00 0.00 N ATOM 0 H ASN A 54 4.358 -7.257 -1.905 1.00 0.00 H new ATOM 0 HA ASN A 54 4.362 -10.045 -0.910 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.322 -9.051 -3.661 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.808 -9.929 -3.354 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.141 -12.312 -4.528 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.859 -10.825 -5.156 1.00 0.00 H new ATOM 558 N THR A 55 6.662 -9.733 -0.100 1.00 0.00 N ATOM 559 CA THR A 55 8.011 -9.568 0.421 1.00 0.00 C ATOM 560 C THR A 55 8.512 -10.864 1.047 1.00 0.00 C ATOM 561 O THR A 55 7.784 -11.854 1.119 1.00 0.00 O ATOM 562 CB THR A 55 8.038 -8.447 1.462 1.00 0.00 C ATOM 563 OG1 THR A 55 6.959 -7.551 1.265 1.00 0.00 O ATOM 564 CG2 THR A 55 9.318 -7.639 1.444 1.00 0.00 C ATOM 0 H THR A 55 6.109 -10.446 0.377 1.00 0.00 H new ATOM 0 HA THR A 55 8.668 -9.306 -0.409 1.00 0.00 H new ATOM 0 HB THR A 55 7.961 -8.950 2.426 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.994 -6.843 1.942 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.269 -6.862 2.207 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.165 -8.294 1.648 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.443 -7.178 0.464 1.00 0.00 H new ATOM 572 N GLY A 56 9.760 -10.848 1.505 1.00 0.00 N ATOM 573 CA GLY A 56 10.336 -12.026 2.123 1.00 0.00 C ATOM 574 C GLY A 56 9.608 -12.419 3.393 1.00 0.00 C ATOM 575 O GLY A 56 9.033 -13.503 3.478 1.00 0.00 O ATOM 0 H GLY A 56 10.381 -10.040 1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.306 -12.856 1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.385 -11.839 2.351 1.00 0.00 H new ATOM 579 N ARG A 57 9.626 -11.528 4.378 1.00 0.00 N ATOM 580 CA ARG A 57 8.957 -11.778 5.649 1.00 0.00 C ATOM 581 C ARG A 57 7.539 -11.216 5.623 1.00 0.00 C ATOM 582 O ARG A 57 7.197 -10.319 6.395 1.00 0.00 O ATOM 583 CB ARG A 57 9.753 -11.157 6.799 1.00 0.00 C ATOM 584 CG ARG A 57 9.815 -12.034 8.039 1.00 0.00 C ATOM 585 CD ARG A 57 8.480 -12.066 8.766 1.00 0.00 C ATOM 586 NE ARG A 57 8.386 -13.198 9.685 1.00 0.00 N ATOM 587 CZ ARG A 57 8.323 -14.468 9.300 1.00 0.00 C ATOM 588 NH1 ARG A 57 8.344 -14.772 8.008 1.00 0.00 N ATOM 589 NH2 ARG A 57 8.241 -15.437 10.194 1.00 0.00 N ATOM 0 H ARG A 57 10.097 -10.625 4.320 1.00 0.00 H new ATOM 0 HA ARG A 57 8.901 -12.855 5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.768 -10.952 6.458 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.306 -10.199 7.064 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.101 -13.047 7.756 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.588 -11.661 8.711 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.346 -11.137 9.320 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.671 -12.122 8.037 1.00 0.00 H new ATOM 0 HE ARG A 57 8.368 -13.001 10.686 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.409 -14.030 7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.296 -15.747 7.713 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.226 -15.213 11.189 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.193 -16.409 9.889 1.00 0.00 H new ATOM 603 N THR A 58 6.720 -11.746 4.728 1.00 0.00 N ATOM 604 CA THR A 58 5.337 -11.299 4.575 1.00 0.00 C ATOM 605 C THR A 58 4.621 -11.254 5.923 1.00 0.00 C ATOM 606 O THR A 58 4.222 -12.285 6.462 1.00 0.00 O ATOM 607 CB THR A 58 4.581 -12.221 3.617 1.00 0.00 C ATOM 608 OG1 THR A 58 5.482 -12.895 2.764 1.00 0.00 O ATOM 609 CG2 THR A 58 3.578 -11.491 2.751 1.00 0.00 C ATOM 0 H THR A 58 6.989 -12.494 4.089 1.00 0.00 H new ATOM 0 HA THR A 58 5.356 -10.291 4.161 1.00 0.00 H new ATOM 0 HB THR A 58 4.039 -12.922 4.252 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.083 -12.245 2.343 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.077 -12.203 2.095 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.840 -11.000 3.385 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.094 -10.743 2.148 1.00 0.00 H new ATOM 617 N GLU A 59 4.459 -10.047 6.457 1.00 0.00 N ATOM 618 CA GLU A 59 3.787 -9.859 7.738 1.00 0.00 C ATOM 619 C GLU A 59 3.227 -8.444 7.853 1.00 0.00 C ATOM 620 O GLU A 59 3.079 -7.910 8.960 1.00 0.00 O ATOM 621 CB GLU A 59 4.756 -10.137 8.891 1.00 0.00 C ATOM 622 CG GLU A 59 4.231 -11.151 9.893 1.00 0.00 C ATOM 623 CD GLU A 59 4.774 -10.925 11.290 1.00 0.00 C ATOM 624 OE1 GLU A 59 6.012 -10.932 11.455 1.00 0.00 O ATOM 625 OE2 GLU A 59 3.960 -10.742 12.221 1.00 0.00 O ATOM 0 H GLU A 59 4.784 -9.184 6.022 1.00 0.00 H new ATOM 0 HA GLU A 59 2.957 -10.564 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.700 -10.497 8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.969 -9.202 9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.142 -11.102 9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.497 -12.155 9.562 1.00 0.00 H new ATOM 632 N ALA A 60 2.922 -7.841 6.707 1.00 0.00 N ATOM 633 CA ALA A 60 2.382 -6.485 6.671 1.00 0.00 C ATOM 634 C ALA A 60 1.056 -6.423 5.924 1.00 0.00 C ATOM 635 O ALA A 60 0.371 -5.400 5.933 1.00 0.00 O ATOM 636 CB ALA A 60 3.388 -5.545 6.040 1.00 0.00 C ATOM 0 H ALA A 60 3.040 -8.271 5.790 1.00 0.00 H new ATOM 0 HA ALA A 60 2.192 -6.174 7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.978 -4.535 6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.307 -5.550 6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.604 -5.872 5.023 1.00 0.00 H new ATOM 642 N TRP A 61 0.700 -7.516 5.247 1.00 0.00 N ATOM 643 CA TRP A 61 -0.537 -7.577 4.482 1.00 0.00 C ATOM 644 C TRP A 61 -1.747 -7.282 5.369 1.00 0.00 C ATOM 645 O TRP A 61 -2.047 -8.032 6.298 1.00 0.00 O ATOM 646 CB TRP A 61 -0.670 -8.959 3.840 1.00 0.00 C ATOM 647 CG TRP A 61 -2.040 -9.256 3.294 1.00 0.00 C ATOM 648 CD1 TRP A 61 -2.981 -8.350 2.897 1.00 0.00 C ATOM 649 CD2 TRP A 61 -2.619 -10.551 3.093 1.00 0.00 C ATOM 650 NE1 TRP A 61 -4.110 -9.001 2.472 1.00 0.00 N ATOM 651 CE2 TRP A 61 -3.913 -10.353 2.574 1.00 0.00 C ATOM 652 CE3 TRP A 61 -2.170 -11.858 3.303 1.00 0.00 C ATOM 653 CZ2 TRP A 61 -4.759 -11.413 2.262 1.00 0.00 C ATOM 654 CZ3 TRP A 61 -3.012 -12.909 3.000 1.00 0.00 C ATOM 655 CH2 TRP A 61 -4.293 -12.682 2.484 1.00 0.00 C ATOM 0 H TRP A 61 1.256 -8.371 5.216 1.00 0.00 H new ATOM 0 HA TRP A 61 -0.505 -6.816 3.702 1.00 0.00 H new ATOM 0 HB2 TRP A 61 0.057 -9.043 3.032 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -0.414 -9.717 4.580 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.854 -7.278 2.915 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -4.961 -8.551 2.134 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.181 -12.042 3.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -5.746 -11.242 1.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -2.677 -13.923 3.164 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.928 -13.525 2.256 1.00 0.00 H new ATOM 666 N LYS A 62 -2.435 -6.185 5.070 1.00 0.00 N ATOM 667 CA LYS A 62 -3.613 -5.786 5.831 1.00 0.00 C ATOM 668 C LYS A 62 -4.768 -5.436 4.898 1.00 0.00 C ATOM 669 O LYS A 62 -4.555 -5.053 3.756 1.00 0.00 O ATOM 670 CB LYS A 62 -3.286 -4.589 6.736 1.00 0.00 C ATOM 671 CG LYS A 62 -4.388 -4.250 7.719 1.00 0.00 C ATOM 672 CD LYS A 62 -5.210 -3.058 7.253 1.00 0.00 C ATOM 673 CE LYS A 62 -5.836 -2.321 8.426 1.00 0.00 C ATOM 674 NZ LYS A 62 -6.748 -1.234 7.975 1.00 0.00 N ATOM 0 H LYS A 62 -2.196 -5.555 4.304 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.915 -6.628 6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.371 -4.802 7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.086 -3.717 6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.040 -5.114 7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.952 -4.033 8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.575 -2.375 6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.993 -3.397 6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.390 -3.027 9.044 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.049 -1.899 9.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.008 -0.639 8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.267 -0.652 7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.607 -1.650 7.562 1.00 0.00 H new ATOM 688 N VAL A 63 -5.992 -5.571 5.408 1.00 0.00 N ATOM 689 CA VAL A 63 -7.179 -5.270 4.616 1.00 0.00 C ATOM 690 C VAL A 63 -7.929 -4.068 5.175 1.00 0.00 C ATOM 691 O VAL A 63 -8.165 -3.984 6.388 1.00 0.00 O ATOM 692 CB VAL A 63 -8.137 -6.475 4.556 1.00 0.00 C ATOM 693 CG1 VAL A 63 -9.264 -6.214 3.562 1.00 0.00 C ATOM 694 CG2 VAL A 63 -7.378 -7.740 4.179 1.00 0.00 C ATOM 0 H VAL A 63 -6.185 -5.885 6.359 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.832 -5.039 3.609 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.575 -6.616 5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.931 -7.076 3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.825 -5.332 3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.843 -6.047 2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.070 -8.582 4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.913 -7.608 3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.607 -7.937 4.924 1.00 0.00 H new ATOM 704 N LEU A 64 -8.301 -3.141 4.298 1.00 0.00 N ATOM 705 CA LEU A 64 -9.025 -1.944 4.713 1.00 0.00 C ATOM 706 C LEU A 64 -10.532 -2.165 4.644 1.00 0.00 C ATOM 707 O LEU A 64 -11.040 -2.722 3.662 1.00 0.00 O ATOM 708 CB LEU A 64 -8.627 -0.752 3.837 1.00 0.00 C ATOM 709 CG LEU A 64 -7.450 0.071 4.361 1.00 0.00 C ATOM 710 CD1 LEU A 64 -7.826 0.777 5.654 1.00 0.00 C ATOM 711 CD2 LEU A 64 -6.233 -0.817 4.580 1.00 0.00 C ATOM 0 H LEU A 64 -8.114 -3.195 3.297 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.758 -1.729 5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.379 -1.119 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.490 -0.095 3.729 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.200 0.825 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.976 1.358 6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.670 1.443 5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.102 0.037 6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.405 -0.214 4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.474 -1.592 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.947 -1.282 3.636 1.00 0.00 H new ATOM 723 N SER A 65 -11.243 -1.724 5.669 1.00 0.00 N ATOM 724 CA SER A 65 -12.693 -1.874 5.718 1.00 0.00 C ATOM 725 C SER A 65 -13.366 -0.549 6.080 1.00 0.00 C ATOM 726 O SER A 65 -12.760 0.315 6.707 1.00 0.00 O ATOM 727 CB SER A 65 -13.080 -2.948 6.738 1.00 0.00 C ATOM 728 OG SER A 65 -13.994 -3.875 6.179 1.00 0.00 O ATOM 0 H SER A 65 -10.840 -1.258 6.482 1.00 0.00 H new ATOM 0 HA SER A 65 -13.036 -2.178 4.729 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.186 -3.472 7.076 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.524 -2.478 7.615 1.00 0.00 H new ATOM 0 HG SER A 65 -14.225 -4.552 6.849 1.00 0.00 H new ATOM 734 N PRO A 66 -14.635 -0.372 5.666 1.00 0.00 N ATOM 735 CA PRO A 66 -15.389 0.856 5.946 1.00 0.00 C ATOM 736 C PRO A 66 -15.729 1.007 7.425 1.00 0.00 C ATOM 737 O PRO A 66 -16.155 2.073 7.867 1.00 0.00 O ATOM 738 CB PRO A 66 -16.664 0.688 5.118 1.00 0.00 C ATOM 739 CG PRO A 66 -16.826 -0.785 4.967 1.00 0.00 C ATOM 740 CD PRO A 66 -15.434 -1.351 4.906 1.00 0.00 C ATOM 0 HA PRO A 66 -14.817 1.749 5.695 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.524 1.131 5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -16.574 1.178 4.148 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.381 -1.204 5.806 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.385 -1.025 4.063 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.384 -2.344 5.352 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.083 -1.445 3.878 1.00 0.00 H new ATOM 748 N GLN A 67 -15.539 -0.066 8.187 1.00 0.00 N ATOM 749 CA GLN A 67 -15.827 -0.049 9.624 1.00 0.00 C ATOM 750 C GLN A 67 -15.173 -1.236 10.317 1.00 0.00 C ATOM 751 O GLN A 67 -15.810 -2.264 10.543 1.00 0.00 O ATOM 752 CB GLN A 67 -17.337 -0.070 9.854 1.00 0.00 C ATOM 753 CG GLN A 67 -17.776 0.750 11.054 1.00 0.00 C ATOM 754 CD GLN A 67 -19.193 0.436 11.490 1.00 0.00 C ATOM 755 OE1 GLN A 67 -19.754 -0.596 11.118 1.00 0.00 O ATOM 756 NE2 GLN A 67 -19.780 1.324 12.283 1.00 0.00 N ATOM 0 H GLN A 67 -15.188 -0.958 7.838 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.415 0.866 10.050 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.838 0.307 8.963 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.662 -1.102 9.990 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.095 0.564 11.885 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.701 1.810 10.812 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -19.278 2.165 12.566 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -20.733 1.165 12.609 1.00 0.00 H new ATOM 765 N GLY A 68 -13.896 -1.087 10.664 1.00 0.00 N ATOM 766 CA GLY A 68 -13.177 -2.153 11.326 1.00 0.00 C ATOM 767 C GLY A 68 -11.751 -1.766 11.676 1.00 0.00 C ATOM 768 O GLY A 68 -11.466 -1.349 12.791 1.00 0.00 O ATOM 0 H GLY A 68 -13.349 -0.243 10.496 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.707 -2.433 12.236 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.163 -3.032 10.681 1.00 0.00 H new ATOM 772 N GLY A 69 -10.853 -1.904 10.697 1.00 0.00 N ATOM 773 CA GLY A 69 -9.461 -1.561 10.921 1.00 0.00 C ATOM 774 C GLY A 69 -8.620 -2.767 11.300 1.00 0.00 C ATOM 775 O GLY A 69 -9.152 -3.821 11.637 1.00 0.00 O ATOM 0 H GLY A 69 -11.067 -2.245 9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.052 -1.106 10.019 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.397 -0.814 11.712 1.00 0.00 H new ATOM 779 N GLY A 70 -7.302 -2.610 11.222 1.00 0.00 N ATOM 780 CA GLY A 70 -6.407 -3.703 11.557 1.00 0.00 C ATOM 781 C GLY A 70 -5.135 -3.226 12.233 1.00 0.00 C ATOM 782 O GLY A 70 -5.043 -2.069 12.648 1.00 0.00 O ATOM 0 H GLY A 70 -6.839 -1.748 10.934 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.923 -4.403 12.214 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.150 -4.249 10.649 1.00 0.00 H new ATOM 786 N PRO A 71 -4.126 -4.105 12.371 1.00 0.00 N ATOM 787 CA PRO A 71 -2.854 -3.753 13.009 1.00 0.00 C ATOM 788 C PRO A 71 -2.028 -2.794 12.159 1.00 0.00 C ATOM 789 O PRO A 71 -1.375 -1.890 12.682 1.00 0.00 O ATOM 790 CB PRO A 71 -2.139 -5.099 13.143 1.00 0.00 C ATOM 791 CG PRO A 71 -2.716 -5.943 12.068 1.00 0.00 C ATOM 792 CD PRO A 71 -4.148 -5.508 11.915 1.00 0.00 C ATOM 0 HA PRO A 71 -3.002 -3.238 13.958 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.061 -4.988 13.023 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.307 -5.540 14.125 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.168 -5.813 11.135 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.656 -7.000 12.328 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.485 -5.590 10.882 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.820 -6.117 12.519 1.00 0.00 H new ATOM 800 N TRP A 72 -2.063 -2.996 10.846 1.00 0.00 N ATOM 801 CA TRP A 72 -1.319 -2.149 9.921 1.00 0.00 C ATOM 802 C TRP A 72 -1.742 -0.688 10.060 1.00 0.00 C ATOM 803 O TRP A 72 -0.980 0.220 9.722 1.00 0.00 O ATOM 804 CB TRP A 72 -1.528 -2.626 8.483 1.00 0.00 C ATOM 805 CG TRP A 72 -0.763 -1.828 7.471 1.00 0.00 C ATOM 806 CD1 TRP A 72 0.582 -1.872 7.238 1.00 0.00 C ATOM 807 CD2 TRP A 72 -1.298 -0.867 6.555 1.00 0.00 C ATOM 808 NE1 TRP A 72 0.915 -0.997 6.233 1.00 0.00 N ATOM 809 CE2 TRP A 72 -0.222 -0.367 5.798 1.00 0.00 C ATOM 810 CE3 TRP A 72 -2.583 -0.378 6.302 1.00 0.00 C ATOM 811 CZ2 TRP A 72 -0.392 0.595 4.805 1.00 0.00 C ATOM 812 CZ3 TRP A 72 -2.752 0.576 5.317 1.00 0.00 C ATOM 813 CH2 TRP A 72 -1.661 1.054 4.578 1.00 0.00 C ATOM 0 H TRP A 72 -2.599 -3.739 10.398 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.260 -2.222 10.167 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -1.231 -3.672 8.409 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.590 -2.579 8.244 1.00 0.00 H new ATOM 0 HD1 TRP A 72 1.281 -2.503 7.767 1.00 0.00 H new ATOM 0 HE1 TRP A 72 1.855 -0.841 5.870 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.429 -0.740 6.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.447 0.965 4.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.741 0.960 5.113 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.825 1.800 3.814 1.00 0.00 H new ATOM 824 N ASP A 73 -2.962 -0.466 10.535 1.00 0.00 N ATOM 825 CA ASP A 73 -3.483 0.886 10.716 1.00 0.00 C ATOM 826 C ASP A 73 -2.541 1.729 11.563 1.00 0.00 C ATOM 827 O ASP A 73 -2.221 2.866 11.215 1.00 0.00 O ATOM 828 CB ASP A 73 -4.872 0.842 11.350 1.00 0.00 C ATOM 829 CG ASP A 73 -5.486 2.220 11.508 1.00 0.00 C ATOM 830 OD1 ASP A 73 -5.091 2.947 12.444 1.00 0.00 O ATOM 831 OD2 ASP A 73 -6.361 2.572 10.682 1.00 0.00 O ATOM 0 H ASP A 73 -3.611 -1.206 10.803 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.560 1.351 9.733 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.528 0.224 10.736 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.806 0.364 12.327 1.00 0.00 H new ATOM 836 N SER A 74 -2.099 1.163 12.681 1.00 0.00 N ATOM 837 CA SER A 74 -1.191 1.862 13.583 1.00 0.00 C ATOM 838 C SER A 74 0.134 2.178 12.893 1.00 0.00 C ATOM 839 O SER A 74 0.870 3.067 13.328 1.00 0.00 O ATOM 840 CB SER A 74 -0.939 1.024 14.838 1.00 0.00 C ATOM 841 OG SER A 74 -0.644 1.848 15.960 1.00 0.00 O ATOM 0 H SER A 74 -2.354 0.223 12.984 1.00 0.00 H new ATOM 0 HA SER A 74 -1.661 2.803 13.870 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.817 0.414 15.053 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.110 0.339 14.660 1.00 0.00 H new ATOM 0 HG SER A 74 -0.489 1.285 16.747 1.00 0.00 H new ATOM 847 N VAL A 75 0.429 1.445 11.832 1.00 0.00 N ATOM 848 CA VAL A 75 1.664 1.647 11.084 1.00 0.00 C ATOM 849 C VAL A 75 1.488 2.721 10.016 1.00 0.00 C ATOM 850 O VAL A 75 2.299 3.641 9.899 1.00 0.00 O ATOM 851 CB VAL A 75 2.132 0.343 10.405 1.00 0.00 C ATOM 852 CG1 VAL A 75 3.507 0.526 9.778 1.00 0.00 C ATOM 853 CG2 VAL A 75 2.145 -0.799 11.409 1.00 0.00 C ATOM 0 H VAL A 75 -0.169 0.704 11.467 1.00 0.00 H new ATOM 0 HA VAL A 75 2.419 1.967 11.802 1.00 0.00 H new ATOM 0 HB VAL A 75 1.429 0.095 9.610 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.818 -0.405 9.305 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.463 1.317 9.029 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.226 0.798 10.551 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.477 -1.713 10.916 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.826 -0.558 12.225 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.141 -0.946 11.806 1.00 0.00 H new ATOM 863 N ALA A 76 0.424 2.598 9.222 1.00 0.00 N ATOM 864 CA ALA A 76 0.142 3.559 8.162 1.00 0.00 C ATOM 865 C ALA A 76 -1.353 3.835 8.054 1.00 0.00 C ATOM 866 O ALA A 76 -2.178 2.987 8.398 1.00 0.00 O ATOM 867 CB ALA A 76 0.684 3.053 6.834 1.00 0.00 C ATOM 0 H ALA A 76 -0.256 1.841 9.295 1.00 0.00 H new ATOM 0 HA ALA A 76 0.640 4.495 8.413 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.467 3.780 6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.762 2.914 6.910 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.212 2.102 6.587 1.00 0.00 H new ATOM 873 N ARG A 77 -1.697 5.026 7.584 1.00 0.00 N ATOM 874 CA ARG A 77 -3.093 5.415 7.422 1.00 0.00 C ATOM 875 C ARG A 77 -3.374 5.879 6.004 1.00 0.00 C ATOM 876 O ARG A 77 -2.574 6.599 5.398 1.00 0.00 O ATOM 877 CB ARG A 77 -3.448 6.524 8.424 1.00 0.00 C ATOM 878 CG ARG A 77 -4.585 6.159 9.353 1.00 0.00 C ATOM 879 CD ARG A 77 -4.228 4.953 10.197 1.00 0.00 C ATOM 880 NE ARG A 77 -4.239 5.257 11.627 1.00 0.00 N ATOM 881 CZ ARG A 77 -3.205 5.775 12.287 1.00 0.00 C ATOM 882 NH1 ARG A 77 -2.071 6.051 11.654 1.00 0.00 N ATOM 883 NH2 ARG A 77 -3.306 6.021 13.587 1.00 0.00 N ATOM 0 H ARG A 77 -1.026 5.743 7.307 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.715 4.541 7.618 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.566 6.761 9.019 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.714 7.427 7.875 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.817 7.005 10.000 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.482 5.948 8.771 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.933 4.147 9.993 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.240 4.592 9.912 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.091 5.060 12.152 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.987 5.866 10.654 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.284 6.448 12.167 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.175 5.813 14.079 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.515 6.418 14.094 1.00 0.00 H new ATOM 897 N VAL A 78 -4.515 5.462 5.458 1.00 0.00 N ATOM 898 CA VAL A 78 -4.902 5.835 4.103 1.00 0.00 C ATOM 899 C VAL A 78 -5.803 7.065 4.116 1.00 0.00 C ATOM 900 O VAL A 78 -6.840 7.085 4.780 1.00 0.00 O ATOM 901 CB VAL A 78 -5.632 4.681 3.391 1.00 0.00 C ATOM 902 CG1 VAL A 78 -5.856 5.012 1.932 1.00 0.00 C ATOM 903 CG2 VAL A 78 -4.851 3.383 3.548 1.00 0.00 C ATOM 0 H VAL A 78 -5.188 4.864 5.937 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.986 6.063 3.558 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.609 4.546 3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.373 4.184 1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.462 5.915 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.895 5.176 1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.379 2.577 3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.860 3.500 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.754 3.142 4.607 1.00 0.00 H new ATOM 913 N LEU A 79 -5.402 8.092 3.372 1.00 0.00 N ATOM 914 CA LEU A 79 -6.175 9.326 3.285 1.00 0.00 C ATOM 915 C LEU A 79 -7.425 9.132 2.430 1.00 0.00 C ATOM 916 O LEU A 79 -7.446 8.290 1.531 1.00 0.00 O ATOM 917 CB LEU A 79 -5.321 10.458 2.710 1.00 0.00 C ATOM 918 CG LEU A 79 -4.328 11.082 3.693 1.00 0.00 C ATOM 919 CD1 LEU A 79 -2.960 10.432 3.554 1.00 0.00 C ATOM 920 CD2 LEU A 79 -4.231 12.584 3.471 1.00 0.00 C ATOM 0 H LEU A 79 -4.544 8.093 2.820 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.485 9.595 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.768 10.076 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.983 11.241 2.340 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.690 10.907 4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.267 10.888 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.041 9.365 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.590 10.576 2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.520 13.011 4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.893 12.780 2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.210 13.038 3.621 1.00 0.00 H new ATOM 932 N PRO A 80 -8.483 9.917 2.697 1.00 0.00 N ATOM 933 CA PRO A 80 -9.743 9.837 1.960 1.00 0.00 C ATOM 934 C PRO A 80 -9.538 9.955 0.445 1.00 0.00 C ATOM 935 O PRO A 80 -10.367 9.497 -0.332 1.00 0.00 O ATOM 936 CB PRO A 80 -10.563 11.028 2.477 1.00 0.00 C ATOM 937 CG PRO A 80 -9.594 11.880 3.227 1.00 0.00 C ATOM 938 CD PRO A 80 -8.538 10.948 3.743 1.00 0.00 C ATOM 0 HA PRO A 80 -10.232 8.876 2.116 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -11.016 11.580 1.654 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.375 10.695 3.123 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.160 12.641 2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.087 12.403 4.046 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.579 11.451 3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.806 10.528 4.713 1.00 0.00 H new ATOM 946 N ASN A 81 -8.426 10.566 0.047 1.00 0.00 N ATOM 947 CA ASN A 81 -8.117 10.736 -1.360 1.00 0.00 C ATOM 948 C ASN A 81 -7.430 9.495 -1.932 1.00 0.00 C ATOM 949 O ASN A 81 -7.008 9.490 -3.088 1.00 0.00 O ATOM 950 CB ASN A 81 -7.228 11.964 -1.557 1.00 0.00 C ATOM 951 CG ASN A 81 -5.880 11.824 -0.877 1.00 0.00 C ATOM 952 OD1 ASN A 81 -5.734 11.074 0.080 1.00 0.00 O ATOM 953 ND2 ASN A 81 -4.885 12.547 -1.378 1.00 0.00 N ATOM 0 H ASN A 81 -7.727 10.950 0.683 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.055 10.880 -1.896 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.077 12.131 -2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.738 12.844 -1.166 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.954 12.490 -0.964 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.051 13.159 -2.177 1.00 0.00 H new ATOM 960 N GLY A 82 -7.321 8.445 -1.120 1.00 0.00 N ATOM 961 CA GLY A 82 -6.686 7.222 -1.572 1.00 0.00 C ATOM 962 C GLY A 82 -5.175 7.295 -1.496 1.00 0.00 C ATOM 963 O GLY A 82 -4.479 6.819 -2.385 1.00 0.00 O ATOM 0 H GLY A 82 -7.661 8.421 -0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.038 6.387 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.986 7.018 -2.600 1.00 0.00 H new ATOM 967 N SER A 83 -4.666 7.892 -0.424 1.00 0.00 N ATOM 968 CA SER A 83 -3.224 8.025 -0.230 1.00 0.00 C ATOM 969 C SER A 83 -2.727 7.095 0.855 1.00 0.00 C ATOM 970 O SER A 83 -3.490 6.295 1.397 1.00 0.00 O ATOM 971 CB SER A 83 -2.863 9.473 0.093 1.00 0.00 C ATOM 972 OG SER A 83 -1.513 9.753 -0.218 1.00 0.00 O ATOM 0 H SER A 83 -5.230 8.292 0.326 1.00 0.00 H new ATOM 0 HA SER A 83 -2.731 7.742 -1.160 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.513 10.145 -0.467 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.041 9.666 1.151 1.00 0.00 H new ATOM 0 HG SER A 83 -1.155 9.042 -0.789 1.00 0.00 H new ATOM 978 N LEU A 84 -1.443 7.206 1.188 1.00 0.00 N ATOM 979 CA LEU A 84 -0.840 6.375 2.224 1.00 0.00 C ATOM 980 C LEU A 84 0.364 7.074 2.838 1.00 0.00 C ATOM 981 O LEU A 84 1.411 7.212 2.212 1.00 0.00 O ATOM 982 CB LEU A 84 -0.421 5.022 1.644 1.00 0.00 C ATOM 983 CG LEU A 84 -0.841 3.806 2.463 1.00 0.00 C ATOM 984 CD1 LEU A 84 -1.262 2.660 1.555 1.00 0.00 C ATOM 985 CD2 LEU A 84 0.292 3.370 3.381 1.00 0.00 C ATOM 0 H LEU A 84 -0.799 7.866 0.753 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.582 6.210 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.841 4.928 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.664 5.011 1.537 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.698 4.086 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.557 1.804 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.104 2.975 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.427 2.379 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.022 2.501 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.166 3.111 2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.545 4.185 4.059 1.00 0.00 H new ATOM 997 N PHE A 85 0.209 7.516 4.081 1.00 0.00 N ATOM 998 CA PHE A 85 1.283 8.204 4.796 1.00 0.00 C ATOM 999 C PHE A 85 1.815 7.349 5.934 1.00 0.00 C ATOM 1000 O PHE A 85 1.047 6.857 6.762 1.00 0.00 O ATOM 1001 CB PHE A 85 0.787 9.549 5.325 1.00 0.00 C ATOM 1002 CG PHE A 85 1.820 10.306 6.111 1.00 0.00 C ATOM 1003 CD1 PHE A 85 3.123 10.405 5.651 1.00 0.00 C ATOM 1004 CD2 PHE A 85 1.486 10.919 7.307 1.00 0.00 C ATOM 1005 CE1 PHE A 85 4.076 11.102 6.380 1.00 0.00 C ATOM 1006 CE2 PHE A 85 2.433 11.616 8.033 1.00 0.00 C ATOM 1007 CZ PHE A 85 3.730 11.708 7.572 1.00 0.00 C ATOM 0 H PHE A 85 -0.652 7.411 4.618 1.00 0.00 H new ATOM 0 HA PHE A 85 2.101 8.380 4.097 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.461 10.162 4.485 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.086 9.382 5.956 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.399 9.936 4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.473 10.852 7.677 1.00 0.00 H new ATOM 0 HE1 PHE A 85 5.090 11.171 6.015 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.157 12.090 8.963 1.00 0.00 H new ATOM 0 HZ PHE A 85 4.471 12.251 8.140 1.00 0.00 H new ATOM 1017 N LEU A 86 3.131 7.176 5.975 1.00 0.00 N ATOM 1018 CA LEU A 86 3.765 6.381 7.019 1.00 0.00 C ATOM 1019 C LEU A 86 4.640 7.260 7.913 1.00 0.00 C ATOM 1020 O LEU A 86 5.487 8.005 7.428 1.00 0.00 O ATOM 1021 CB LEU A 86 4.608 5.266 6.398 1.00 0.00 C ATOM 1022 CG LEU A 86 3.856 3.963 6.127 1.00 0.00 C ATOM 1023 CD1 LEU A 86 3.247 3.978 4.733 1.00 0.00 C ATOM 1024 CD2 LEU A 86 4.784 2.768 6.291 1.00 0.00 C ATOM 0 H LEU A 86 3.780 7.576 5.297 1.00 0.00 H new ATOM 0 HA LEU A 86 2.981 5.935 7.631 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.027 5.628 5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.447 5.053 7.061 1.00 0.00 H new ATOM 0 HG LEU A 86 3.049 3.874 6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.716 3.042 4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.550 4.812 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.038 4.090 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.232 1.849 6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.612 2.851 5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.173 2.747 7.309 1.00 0.00 H new ATOM 1036 N PRO A 87 4.451 7.187 9.245 1.00 0.00 N ATOM 1037 CA PRO A 87 5.235 7.985 10.194 1.00 0.00 C ATOM 1038 C PRO A 87 6.733 7.753 10.044 1.00 0.00 C ATOM 1039 O PRO A 87 7.506 8.696 9.869 1.00 0.00 O ATOM 1040 CB PRO A 87 4.761 7.491 11.572 1.00 0.00 C ATOM 1041 CG PRO A 87 3.417 6.899 11.317 1.00 0.00 C ATOM 1042 CD PRO A 87 3.467 6.328 9.936 1.00 0.00 C ATOM 0 HA PRO A 87 5.087 9.053 10.036 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.447 6.752 11.986 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.704 8.310 12.289 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.187 6.126 12.050 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.637 7.656 11.397 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.781 5.284 9.944 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.492 6.364 9.451 1.00 0.00 H new ATOM 1050 N ALA A 88 7.135 6.487 10.090 1.00 0.00 N ATOM 1051 CA ALA A 88 8.539 6.124 9.951 1.00 0.00 C ATOM 1052 C ALA A 88 8.708 4.971 8.976 1.00 0.00 C ATOM 1053 O ALA A 88 8.517 3.807 9.322 1.00 0.00 O ATOM 1054 CB ALA A 88 9.126 5.756 11.306 1.00 0.00 C ATOM 0 H ALA A 88 6.506 5.695 10.223 1.00 0.00 H new ATOM 0 HA ALA A 88 9.075 6.987 9.556 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.176 5.487 11.187 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.044 6.608 11.981 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.579 4.909 11.722 1.00 0.00 H new ATOM 1060 N VAL A 89 9.064 5.301 7.731 1.00 0.00 N ATOM 1061 CA VAL A 89 9.258 4.293 6.695 1.00 0.00 C ATOM 1062 C VAL A 89 10.636 3.651 6.816 1.00 0.00 C ATOM 1063 O VAL A 89 11.655 4.308 6.601 1.00 0.00 O ATOM 1064 CB VAL A 89 9.099 4.895 5.286 1.00 0.00 C ATOM 1065 CG1 VAL A 89 9.138 3.803 4.236 1.00 0.00 C ATOM 1066 CG2 VAL A 89 7.808 5.697 5.191 1.00 0.00 C ATOM 0 H VAL A 89 9.223 6.259 7.420 1.00 0.00 H new ATOM 0 HA VAL A 89 8.490 3.533 6.839 1.00 0.00 H new ATOM 0 HB VAL A 89 9.932 5.573 5.101 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.024 4.246 3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.092 3.279 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.326 3.098 4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.712 6.115 4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.959 5.045 5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.828 6.506 5.921 1.00 0.00 H new ATOM 1076 N GLY A 90 10.659 2.363 7.137 1.00 0.00 N ATOM 1077 CA GLY A 90 11.919 1.656 7.280 1.00 0.00 C ATOM 1078 C GLY A 90 11.902 0.303 6.587 1.00 0.00 C ATOM 1079 O GLY A 90 11.212 0.114 5.585 1.00 0.00 O ATOM 0 H GLY A 90 9.828 1.795 7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.723 2.264 6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.137 1.517 8.339 1.00 0.00 H new ATOM 1083 N ILE A 91 12.668 -0.639 7.129 1.00 0.00 N ATOM 1084 CA ILE A 91 12.743 -1.982 6.565 1.00 0.00 C ATOM 1085 C ILE A 91 11.366 -2.634 6.507 1.00 0.00 C ATOM 1086 O ILE A 91 11.017 -3.286 5.523 1.00 0.00 O ATOM 1087 CB ILE A 91 13.687 -2.887 7.381 1.00 0.00 C ATOM 1088 CG1 ILE A 91 14.983 -2.144 7.728 1.00 0.00 C ATOM 1089 CG2 ILE A 91 13.987 -4.167 6.624 1.00 0.00 C ATOM 1090 CD1 ILE A 91 15.025 -1.616 9.138 1.00 0.00 C ATOM 0 H ILE A 91 13.245 -0.497 7.958 1.00 0.00 H new ATOM 0 HA ILE A 91 13.137 -1.874 5.554 1.00 0.00 H new ATOM 0 HB ILE A 91 13.187 -3.152 8.313 1.00 0.00 H new ATOM 0 HG12 ILE A 91 15.827 -2.817 7.577 1.00 0.00 H new ATOM 0 HG13 ILE A 91 15.110 -1.312 7.035 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.655 -4.792 7.217 1.00 0.00 H new ATOM 0 HG22 ILE A 91 13.058 -4.705 6.436 1.00 0.00 H new ATOM 0 HG23 ILE A 91 14.464 -3.925 5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.972 -1.104 9.307 1.00 0.00 H new ATOM 0 HD12 ILE A 91 14.202 -0.917 9.289 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.931 -2.445 9.840 1.00 0.00 H new ATOM 1102 N GLN A 92 10.587 -2.453 7.569 1.00 0.00 N ATOM 1103 CA GLN A 92 9.245 -3.024 7.648 1.00 0.00 C ATOM 1104 C GLN A 92 8.400 -2.592 6.452 1.00 0.00 C ATOM 1105 O GLN A 92 7.434 -3.262 6.088 1.00 0.00 O ATOM 1106 CB GLN A 92 8.558 -2.604 8.941 1.00 0.00 C ATOM 1107 CG GLN A 92 9.254 -3.121 10.190 1.00 0.00 C ATOM 1108 CD GLN A 92 9.630 -2.011 11.160 1.00 0.00 C ATOM 1109 OE1 GLN A 92 8.829 -1.607 12.004 1.00 0.00 O ATOM 1110 NE2 GLN A 92 10.853 -1.509 11.029 1.00 0.00 N ATOM 0 H GLN A 92 10.862 -1.914 8.390 1.00 0.00 H new ATOM 0 HA GLN A 92 9.343 -4.110 7.635 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.513 -1.516 8.983 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.530 -2.965 8.931 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.601 -3.833 10.695 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.154 -3.664 9.900 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.481 -1.877 10.315 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.164 -0.756 11.643 1.00 0.00 H new ATOM 1119 N ASP A 93 8.769 -1.468 5.835 1.00 0.00 N ATOM 1120 CA ASP A 93 8.043 -0.950 4.682 1.00 0.00 C ATOM 1121 C ASP A 93 8.695 -1.386 3.380 1.00 0.00 C ATOM 1122 O ASP A 93 8.079 -1.302 2.309 1.00 0.00 O ATOM 1123 CB ASP A 93 7.972 0.578 4.743 1.00 0.00 C ATOM 1124 CG ASP A 93 6.798 1.133 3.961 1.00 0.00 C ATOM 1125 OD1 ASP A 93 5.644 0.796 4.302 1.00 0.00 O ATOM 1126 OD2 ASP A 93 7.031 1.906 3.016 1.00 0.00 O ATOM 0 H ASP A 93 9.568 -0.901 6.118 1.00 0.00 H new ATOM 0 HA ASP A 93 7.033 -1.358 4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.894 0.894 5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.898 0.998 4.350 1.00 0.00 H new ATOM 1131 N GLU A 94 9.941 -1.851 3.447 1.00 0.00 N ATOM 1132 CA GLU A 94 10.659 -2.294 2.255 1.00 0.00 C ATOM 1133 C GLU A 94 9.871 -3.364 1.507 1.00 0.00 C ATOM 1134 O GLU A 94 8.766 -3.731 1.909 1.00 0.00 O ATOM 1135 CB GLU A 94 12.039 -2.837 2.630 1.00 0.00 C ATOM 1136 CG GLU A 94 13.063 -1.751 2.913 1.00 0.00 C ATOM 1137 CD GLU A 94 14.446 -2.314 3.178 1.00 0.00 C ATOM 1138 OE1 GLU A 94 14.647 -2.914 4.264 1.00 0.00 O ATOM 1139 OE2 GLU A 94 15.328 -2.157 2.316 1.00 0.00 O ATOM 0 H GLU A 94 10.473 -1.930 4.313 1.00 0.00 H new ATOM 0 HA GLU A 94 10.781 -1.431 1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.943 -3.473 3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.405 -3.467 1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.108 -1.068 2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.740 -1.167 3.775 1.00 0.00 H new ATOM 1146 N GLY A 95 10.448 -3.862 0.428 1.00 0.00 N ATOM 1147 CA GLY A 95 9.788 -4.887 -0.360 1.00 0.00 C ATOM 1148 C GLY A 95 8.983 -4.309 -1.499 1.00 0.00 C ATOM 1149 O GLY A 95 9.333 -3.263 -2.047 1.00 0.00 O ATOM 0 H GLY A 95 11.363 -3.577 0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.536 -5.573 -0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.132 -5.471 0.285 1.00 0.00 H new ATOM 1153 N ILE A 96 7.904 -4.992 -1.872 1.00 0.00 N ATOM 1154 CA ILE A 96 7.047 -4.541 -2.955 1.00 0.00 C ATOM 1155 C ILE A 96 5.594 -4.435 -2.512 1.00 0.00 C ATOM 1156 O ILE A 96 5.024 -5.393 -1.982 1.00 0.00 O ATOM 1157 CB ILE A 96 7.125 -5.492 -4.166 1.00 0.00 C ATOM 1158 CG1 ILE A 96 8.578 -5.893 -4.441 1.00 0.00 C ATOM 1159 CG2 ILE A 96 6.510 -4.836 -5.393 1.00 0.00 C ATOM 1160 CD1 ILE A 96 8.899 -7.313 -4.030 1.00 0.00 C ATOM 0 H ILE A 96 7.605 -5.864 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 96 7.408 -3.554 -3.244 1.00 0.00 H new ATOM 0 HB ILE A 96 6.559 -6.394 -3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.784 -5.775 -5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.242 -5.210 -3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.572 -5.519 -6.240 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.465 -4.599 -5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.052 -3.919 -5.625 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.944 -7.529 -4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.725 -7.430 -2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.260 -8.004 -4.580 1.00 0.00 H new ATOM 1172 N PHE A 97 5.000 -3.264 -2.711 1.00 0.00 N ATOM 1173 CA PHE A 97 3.612 -3.033 -2.336 1.00 0.00 C ATOM 1174 C PHE A 97 2.688 -3.163 -3.534 1.00 0.00 C ATOM 1175 O PHE A 97 3.084 -2.880 -4.665 1.00 0.00 O ATOM 1176 CB PHE A 97 3.458 -1.646 -1.701 1.00 0.00 C ATOM 1177 CG PHE A 97 4.119 -1.518 -0.358 1.00 0.00 C ATOM 1178 CD1 PHE A 97 3.720 -2.313 0.696 1.00 0.00 C ATOM 1179 CD2 PHE A 97 5.138 -0.600 -0.159 1.00 0.00 C ATOM 1180 CE1 PHE A 97 4.326 -2.196 1.925 1.00 0.00 C ATOM 1181 CE2 PHE A 97 5.747 -0.479 1.068 1.00 0.00 C ATOM 1182 CZ PHE A 97 5.341 -1.278 2.111 1.00 0.00 C ATOM 0 H PHE A 97 5.461 -2.457 -3.132 1.00 0.00 H new ATOM 0 HA PHE A 97 3.331 -3.794 -1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.878 -0.899 -2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.397 -1.420 -1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.927 -3.032 0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.458 0.028 -0.977 1.00 0.00 H new ATOM 0 HE1 PHE A 97 4.008 -2.822 2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 97 6.540 0.240 1.212 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.816 -1.188 3.077 1.00 0.00 H new ATOM 1192 N ARG A 98 1.456 -3.594 -3.289 1.00 0.00 N ATOM 1193 CA ARG A 98 0.479 -3.763 -4.358 1.00 0.00 C ATOM 1194 C ARG A 98 -0.892 -3.243 -3.935 1.00 0.00 C ATOM 1195 O ARG A 98 -1.257 -3.310 -2.761 1.00 0.00 O ATOM 1196 CB ARG A 98 0.378 -5.237 -4.755 1.00 0.00 C ATOM 1197 CG ARG A 98 -0.461 -5.477 -5.999 1.00 0.00 C ATOM 1198 CD ARG A 98 -1.245 -6.777 -5.902 1.00 0.00 C ATOM 1199 NE ARG A 98 -0.596 -7.864 -6.631 1.00 0.00 N ATOM 1200 CZ ARG A 98 0.373 -8.625 -6.132 1.00 0.00 C ATOM 1201 NH1 ARG A 98 0.813 -8.420 -4.896 1.00 0.00 N ATOM 1202 NH2 ARG A 98 0.906 -9.593 -6.857 1.00 0.00 N ATOM 0 H ARG A 98 1.110 -3.833 -2.360 1.00 0.00 H new ATOM 0 HA ARG A 98 0.816 -3.183 -5.217 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.381 -5.629 -4.923 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.049 -5.800 -3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.151 -4.645 -6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.186 -5.506 -6.875 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.354 -7.057 -4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.249 -6.625 -6.297 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.906 -8.051 -7.584 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.407 -7.677 -4.327 1.00 0.00 H new ATOM 0 HH12 ARG A 98 1.557 -9.005 -4.516 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.574 -9.761 -7.807 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.649 -10.172 -6.467 1.00 0.00 H new ATOM 1216 N CYS A 99 -1.644 -2.722 -4.908 1.00 0.00 N ATOM 1217 CA CYS A 99 -2.975 -2.189 -4.630 1.00 0.00 C ATOM 1218 C CYS A 99 -4.055 -3.123 -5.166 1.00 0.00 C ATOM 1219 O CYS A 99 -3.825 -3.880 -6.109 1.00 0.00 O ATOM 1220 CB CYS A 99 -3.124 -0.798 -5.254 1.00 0.00 C ATOM 1221 SG CYS A 99 -3.352 0.540 -4.048 1.00 0.00 S ATOM 0 H CYS A 99 -1.356 -2.659 -5.884 1.00 0.00 H new ATOM 0 HA CYS A 99 -3.096 -2.110 -3.550 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -2.239 -0.585 -5.853 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -3.975 -0.807 -5.935 1.00 0.00 H new ATOM 1226 N GLN A 100 -5.236 -3.065 -4.558 1.00 0.00 N ATOM 1227 CA GLN A 100 -6.354 -3.905 -4.980 1.00 0.00 C ATOM 1228 C GLN A 100 -7.681 -3.312 -4.509 1.00 0.00 C ATOM 1229 O GLN A 100 -7.769 -2.730 -3.436 1.00 0.00 O ATOM 1230 CB GLN A 100 -6.190 -5.319 -4.414 1.00 0.00 C ATOM 1231 CG GLN A 100 -6.665 -6.407 -5.372 1.00 0.00 C ATOM 1232 CD GLN A 100 -5.779 -7.637 -5.340 1.00 0.00 C ATOM 1233 OE1 GLN A 100 -6.110 -8.638 -4.698 1.00 0.00 O ATOM 1234 NE2 GLN A 100 -4.644 -7.565 -6.017 1.00 0.00 N ATOM 0 H GLN A 100 -5.444 -2.447 -3.774 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.358 -3.950 -6.069 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.140 -5.488 -4.174 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.747 -5.397 -3.480 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.686 -6.692 -5.116 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.690 -6.008 -6.386 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.411 -6.717 -6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.002 -8.358 -6.022 1.00 0.00 H new ATOM 1243 N ALA A 101 -8.709 -3.462 -5.337 1.00 0.00 N ATOM 1244 CA ALA A 101 -10.032 -2.940 -5.024 1.00 0.00 C ATOM 1245 C ALA A 101 -11.121 -3.941 -5.390 1.00 0.00 C ATOM 1246 O ALA A 101 -10.898 -4.841 -6.198 1.00 0.00 O ATOM 1247 CB ALA A 101 -10.264 -1.616 -5.736 1.00 0.00 C ATOM 0 H ALA A 101 -8.650 -3.944 -6.234 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.080 -2.771 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.257 -1.240 -5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.513 -0.894 -5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.188 -1.764 -6.813 1.00 0.00 H new ATOM 1253 N MET A 102 -12.298 -3.779 -4.795 1.00 0.00 N ATOM 1254 CA MET A 102 -13.420 -4.670 -5.070 1.00 0.00 C ATOM 1255 C MET A 102 -14.664 -3.874 -5.454 1.00 0.00 C ATOM 1256 O MET A 102 -15.228 -3.152 -4.631 1.00 0.00 O ATOM 1257 CB MET A 102 -13.714 -5.543 -3.849 1.00 0.00 C ATOM 1258 CG MET A 102 -14.852 -6.527 -4.065 1.00 0.00 C ATOM 1259 SD MET A 102 -14.269 -8.180 -4.490 1.00 0.00 S ATOM 1260 CE MET A 102 -13.743 -8.776 -2.885 1.00 0.00 C ATOM 0 H MET A 102 -12.500 -3.041 -4.121 1.00 0.00 H new ATOM 0 HA MET A 102 -13.148 -5.311 -5.909 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.813 -6.095 -3.582 1.00 0.00 H new ATOM 0 HB3 MET A 102 -13.956 -4.900 -3.003 1.00 0.00 H new ATOM 0 HG2 MET A 102 -15.457 -6.581 -3.160 1.00 0.00 H new ATOM 0 HG3 MET A 102 -15.500 -6.159 -4.860 1.00 0.00 H new ATOM 0 HE1 MET A 102 -13.661 -9.863 -2.909 1.00 0.00 H new ATOM 0 HE2 MET A 102 -12.774 -8.344 -2.636 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.474 -8.485 -2.131 1.00 0.00 H new ATOM 1270 N ASN A 103 -15.085 -4.010 -6.707 1.00 0.00 N ATOM 1271 CA ASN A 103 -16.262 -3.304 -7.198 1.00 0.00 C ATOM 1272 C ASN A 103 -17.511 -4.172 -7.073 1.00 0.00 C ATOM 1273 O ASN A 103 -17.439 -5.318 -6.630 1.00 0.00 O ATOM 1274 CB ASN A 103 -16.060 -2.883 -8.657 1.00 0.00 C ATOM 1275 CG ASN A 103 -16.274 -1.396 -8.863 1.00 0.00 C ATOM 1276 OD1 ASN A 103 -16.862 -0.718 -8.028 1.00 0.00 O ATOM 1277 ND2 ASN A 103 -15.796 -0.882 -9.991 1.00 0.00 N ATOM 0 H ASN A 103 -14.629 -4.603 -7.401 1.00 0.00 H new ATOM 0 HA ASN A 103 -16.401 -2.412 -6.587 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -15.052 -3.150 -8.973 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -16.750 -3.438 -9.292 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -15.912 0.112 -10.188 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -15.313 -1.481 -10.660 1.00 0.00 H new ATOM 1284 N ARG A 104 -18.653 -3.618 -7.472 1.00 0.00 N ATOM 1285 CA ARG A 104 -19.918 -4.340 -7.395 1.00 0.00 C ATOM 1286 C ARG A 104 -19.879 -5.591 -8.276 1.00 0.00 C ATOM 1287 O ARG A 104 -20.523 -6.594 -7.961 1.00 0.00 O ATOM 1288 CB ARG A 104 -21.073 -3.436 -7.831 1.00 0.00 C ATOM 1289 CG ARG A 104 -21.565 -2.507 -6.733 1.00 0.00 C ATOM 1290 CD ARG A 104 -22.410 -1.376 -7.298 1.00 0.00 C ATOM 1291 NE ARG A 104 -21.661 -0.125 -7.389 1.00 0.00 N ATOM 1292 CZ ARG A 104 -22.229 1.072 -7.520 1.00 0.00 C ATOM 1293 NH1 ARG A 104 -23.551 1.186 -7.558 1.00 0.00 N ATOM 1294 NH2 ARG A 104 -21.474 2.159 -7.596 1.00 0.00 N ATOM 0 H ARG A 104 -18.728 -2.674 -7.851 1.00 0.00 H new ATOM 0 HA ARG A 104 -20.074 -4.644 -6.360 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -20.754 -2.839 -8.685 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -21.902 -4.057 -8.169 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -22.151 -3.075 -6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -20.712 -2.092 -6.196 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -22.773 -1.654 -8.288 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -23.287 -1.229 -6.667 1.00 0.00 H new ATOM 0 HE ARG A 104 -20.643 -0.171 -7.350 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -24.137 0.354 -7.487 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -23.981 2.105 -7.658 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -20.458 2.078 -7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -21.909 3.076 -7.696 1.00 0.00 H new ATOM 1308 N ASN A 105 -19.120 -5.524 -9.357 1.00 0.00 N ATOM 1309 CA ASN A 105 -18.997 -6.651 -10.275 1.00 0.00 C ATOM 1310 C ASN A 105 -17.801 -7.527 -9.913 1.00 0.00 C ATOM 1311 O ASN A 105 -17.751 -8.703 -10.284 1.00 0.00 O ATOM 1312 CB ASN A 105 -18.858 -6.149 -11.713 1.00 0.00 C ATOM 1313 CG ASN A 105 -20.143 -5.544 -12.242 1.00 0.00 C ATOM 1314 OD1 ASN A 105 -20.782 -6.096 -13.137 1.00 0.00 O ATOM 1315 ND2 ASN A 105 -20.529 -4.400 -11.696 1.00 0.00 N ATOM 0 H ASN A 105 -18.578 -4.702 -9.623 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.901 -7.254 -10.191 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -18.063 -5.404 -11.760 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.558 -6.976 -12.356 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -21.384 -3.945 -12.016 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -19.971 -3.974 -10.956 1.00 0.00 H new ATOM 1322 N GLY A 106 -16.840 -6.950 -9.199 1.00 0.00 N ATOM 1323 CA GLY A 106 -15.660 -7.698 -8.805 1.00 0.00 C ATOM 1324 C GLY A 106 -14.428 -7.287 -9.587 1.00 0.00 C ATOM 1325 O GLY A 106 -13.719 -8.133 -10.133 1.00 0.00 O ATOM 0 H GLY A 106 -16.857 -5.979 -8.886 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.478 -7.550 -7.741 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.842 -8.763 -8.952 1.00 0.00 H new ATOM 1329 N LYS A 107 -14.172 -5.984 -9.641 1.00 0.00 N ATOM 1330 CA LYS A 107 -13.017 -5.460 -10.362 1.00 0.00 C ATOM 1331 C LYS A 107 -11.890 -5.103 -9.397 1.00 0.00 C ATOM 1332 O LYS A 107 -12.132 -4.563 -8.318 1.00 0.00 O ATOM 1333 CB LYS A 107 -13.418 -4.230 -11.183 1.00 0.00 C ATOM 1334 CG LYS A 107 -12.242 -3.513 -11.826 1.00 0.00 C ATOM 1335 CD LYS A 107 -12.704 -2.365 -12.709 1.00 0.00 C ATOM 1336 CE LYS A 107 -11.527 -1.563 -13.248 1.00 0.00 C ATOM 1337 NZ LYS A 107 -11.960 -0.491 -14.178 1.00 0.00 N ATOM 0 H LYS A 107 -14.749 -5.271 -9.194 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.657 -6.235 -11.038 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.115 -4.536 -11.963 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -13.949 -3.531 -10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.578 -3.132 -11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.664 -4.221 -12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -13.289 -2.758 -13.541 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -13.362 -1.709 -12.139 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.979 -1.121 -12.416 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.838 -2.233 -13.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.127 0.029 -14.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.460 -0.914 -14.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.597 0.164 -13.681 1.00 0.00 H new ATOM 1351 N GLU A 108 -10.659 -5.405 -9.798 1.00 0.00 N ATOM 1352 CA GLU A 108 -9.493 -5.115 -8.973 1.00 0.00 C ATOM 1353 C GLU A 108 -8.495 -4.247 -9.740 1.00 0.00 C ATOM 1354 O GLU A 108 -8.388 -4.333 -10.955 1.00 0.00 O ATOM 1355 CB GLU A 108 -8.820 -6.415 -8.529 1.00 0.00 C ATOM 1356 CG GLU A 108 -8.322 -7.268 -9.692 1.00 0.00 C ATOM 1357 CD GLU A 108 -7.392 -8.377 -9.240 1.00 0.00 C ATOM 1358 OE1 GLU A 108 -6.330 -8.063 -8.653 1.00 0.00 O ATOM 1359 OE2 GLU A 108 -7.725 -9.559 -9.464 1.00 0.00 O ATOM 0 H GLU A 108 -10.444 -5.851 -10.690 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.825 -4.569 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -7.979 -6.176 -7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.526 -6.997 -7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.176 -7.703 -10.211 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.803 -6.632 -10.409 1.00 0.00 H new ATOM 1366 N THR A 109 -7.767 -3.410 -8.999 1.00 0.00 N ATOM 1367 CA THR A 109 -6.780 -2.527 -9.607 1.00 0.00 C ATOM 1368 C THR A 109 -5.388 -3.148 -9.554 1.00 0.00 C ATOM 1369 O THR A 109 -4.844 -3.385 -8.474 1.00 0.00 O ATOM 1370 CB THR A 109 -6.775 -1.170 -8.903 1.00 0.00 C ATOM 1371 OG1 THR A 109 -5.677 -0.385 -9.331 1.00 0.00 O ATOM 1372 CG2 THR A 109 -6.702 -1.279 -7.395 1.00 0.00 C ATOM 0 H THR A 109 -7.844 -3.328 -7.985 1.00 0.00 H new ATOM 0 HA THR A 109 -7.053 -2.383 -10.652 1.00 0.00 H new ATOM 0 HB THR A 109 -7.722 -0.702 -9.172 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.599 0.408 -8.760 1.00 0.00 H new ATOM 0 HG21 THR A 109 -6.702 -0.281 -6.958 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.564 -1.836 -7.028 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.787 -1.799 -7.112 1.00 0.00 H new ATOM 1380 N LYS A 110 -4.817 -3.409 -10.732 1.00 0.00 N ATOM 1381 CA LYS A 110 -3.488 -4.002 -10.814 1.00 0.00 C ATOM 1382 C LYS A 110 -2.408 -2.934 -10.688 1.00 0.00 C ATOM 1383 O LYS A 110 -2.203 -2.126 -11.587 1.00 0.00 O ATOM 1384 CB LYS A 110 -3.329 -4.748 -12.141 1.00 0.00 C ATOM 1385 CG LYS A 110 -3.005 -6.224 -11.984 1.00 0.00 C ATOM 1386 CD LYS A 110 -3.774 -7.081 -12.970 1.00 0.00 C ATOM 1387 CE LYS A 110 -2.885 -8.141 -13.608 1.00 0.00 C ATOM 1388 NZ LYS A 110 -3.097 -9.481 -12.987 1.00 0.00 N ATOM 0 H LYS A 110 -5.253 -3.219 -11.634 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.375 -4.705 -9.989 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.250 -4.648 -12.715 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.538 -4.272 -12.721 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.935 -6.378 -12.127 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.240 -6.541 -10.968 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.607 -7.564 -12.460 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -4.200 -6.447 -13.748 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.094 -8.197 -14.676 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.839 -7.852 -13.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.476 -10.178 -13.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.874 -9.433 -11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.089 -9.768 -13.110 1.00 0.00 H new ATOM 1402 N SER A 111 -1.720 -2.934 -9.552 1.00 0.00 N ATOM 1403 CA SER A 111 -0.661 -1.963 -9.293 1.00 0.00 C ATOM 1404 C SER A 111 0.388 -2.529 -8.342 1.00 0.00 C ATOM 1405 O SER A 111 0.054 -3.128 -7.318 1.00 0.00 O ATOM 1406 CB SER A 111 -1.249 -0.675 -8.714 1.00 0.00 C ATOM 1407 OG SER A 111 -2.623 -0.552 -9.037 1.00 0.00 O ATOM 0 H SER A 111 -1.877 -3.597 -8.793 1.00 0.00 H new ATOM 0 HA SER A 111 -0.175 -1.739 -10.243 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.125 -0.669 -7.631 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.703 0.185 -9.102 1.00 0.00 H new ATOM 0 HG SER A 111 -2.976 0.278 -8.654 1.00 0.00 H new ATOM 1413 N ASN A 112 1.656 -2.335 -8.685 1.00 0.00 N ATOM 1414 CA ASN A 112 2.757 -2.822 -7.863 1.00 0.00 C ATOM 1415 C ASN A 112 3.877 -1.787 -7.804 1.00 0.00 C ATOM 1416 O ASN A 112 4.321 -1.270 -8.821 1.00 0.00 O ATOM 1417 CB ASN A 112 3.293 -4.141 -8.432 1.00 0.00 C ATOM 1418 CG ASN A 112 3.351 -5.235 -7.374 1.00 0.00 C ATOM 1419 OD1 ASN A 112 3.020 -6.389 -7.645 1.00 0.00 O ATOM 1420 ND2 ASN A 112 3.772 -4.875 -6.167 1.00 0.00 N ATOM 0 H ASN A 112 1.948 -1.842 -9.529 1.00 0.00 H new ATOM 0 HA ASN A 112 2.387 -2.993 -6.852 1.00 0.00 H new ATOM 0 HB2 ASN A 112 2.657 -4.466 -9.255 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.290 -3.980 -8.843 1.00 0.00 H new ATOM 0 HD21 ASN A 112 3.831 -5.567 -5.420 1.00 0.00 H new ATOM 0 HD22 ASN A 112 4.036 -3.906 -5.987 1.00 0.00 H new ATOM 1427 N TYR A 113 4.324 -1.480 -6.582 1.00 0.00 N ATOM 1428 CA TYR A 113 5.387 -0.501 -6.386 1.00 0.00 C ATOM 1429 C TYR A 113 6.502 -1.069 -5.513 1.00 0.00 C ATOM 1430 O TYR A 113 6.250 -1.590 -4.427 1.00 0.00 O ATOM 1431 CB TYR A 113 4.825 0.772 -5.747 1.00 0.00 C ATOM 1432 CG TYR A 113 3.907 1.556 -6.658 1.00 0.00 C ATOM 1433 CD1 TYR A 113 2.751 0.982 -7.169 1.00 0.00 C ATOM 1434 CD2 TYR A 113 4.198 2.869 -7.007 1.00 0.00 C ATOM 1435 CE1 TYR A 113 1.910 1.694 -8.003 1.00 0.00 C ATOM 1436 CE2 TYR A 113 3.361 3.588 -7.839 1.00 0.00 C ATOM 1437 CZ TYR A 113 2.219 2.996 -8.334 1.00 0.00 C ATOM 1438 OH TYR A 113 1.382 3.707 -9.163 1.00 0.00 O ATOM 0 H TYR A 113 3.966 -1.895 -5.722 1.00 0.00 H new ATOM 0 HA TYR A 113 5.804 -0.258 -7.363 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.281 0.504 -4.841 1.00 0.00 H new ATOM 0 HB3 TYR A 113 5.654 1.412 -5.443 1.00 0.00 H new ATOM 0 HD1 TYR A 113 2.505 -0.037 -6.911 1.00 0.00 H new ATOM 0 HD2 TYR A 113 5.093 3.335 -6.622 1.00 0.00 H new ATOM 0 HE1 TYR A 113 1.015 1.233 -8.394 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.600 4.608 -8.100 1.00 0.00 H new ATOM 0 HH TYR A 113 1.742 4.609 -9.297 1.00 0.00 H new ATOM 1448 N ARG A 114 7.736 -0.959 -6.004 1.00 0.00 N ATOM 1449 CA ARG A 114 8.892 -1.457 -5.261 1.00 0.00 C ATOM 1450 C ARG A 114 9.521 -0.343 -4.429 1.00 0.00 C ATOM 1451 O ARG A 114 9.797 0.743 -4.939 1.00 0.00 O ATOM 1452 CB ARG A 114 9.927 -2.037 -6.227 1.00 0.00 C ATOM 1453 CG ARG A 114 10.624 -3.279 -5.699 1.00 0.00 C ATOM 1454 CD ARG A 114 11.671 -2.927 -4.664 1.00 0.00 C ATOM 1455 NE ARG A 114 11.952 -4.049 -3.763 1.00 0.00 N ATOM 1456 CZ ARG A 114 13.058 -4.154 -3.030 1.00 0.00 C ATOM 1457 NH1 ARG A 114 13.989 -3.209 -3.082 1.00 0.00 N ATOM 1458 NH2 ARG A 114 13.234 -5.206 -2.243 1.00 0.00 N ATOM 0 H ARG A 114 7.959 -0.534 -6.904 1.00 0.00 H new ATOM 0 HA ARG A 114 8.554 -2.243 -4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.436 -2.279 -7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 114 10.676 -1.275 -6.444 1.00 0.00 H new ATOM 0 HG2 ARG A 114 9.888 -3.952 -5.260 1.00 0.00 H new ATOM 0 HG3 ARG A 114 11.092 -3.814 -6.525 1.00 0.00 H new ATOM 0 HD2 ARG A 114 12.590 -2.626 -5.166 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.331 -2.071 -4.081 1.00 0.00 H new ATOM 0 HE ARG A 114 11.258 -4.794 -3.694 1.00 0.00 H new ATOM 0 HH11 ARG A 114 13.859 -2.397 -3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 114 14.835 -3.295 -2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 114 12.522 -5.935 -2.199 1.00 0.00 H new ATOM 0 HH22 ARG A 114 14.082 -5.287 -1.681 1.00 0.00 H new ATOM 1472 N VAL A 115 9.739 -0.615 -3.147 1.00 0.00 N ATOM 1473 CA VAL A 115 10.330 0.372 -2.251 1.00 0.00 C ATOM 1474 C VAL A 115 11.541 -0.192 -1.515 1.00 0.00 C ATOM 1475 O VAL A 115 11.494 -1.297 -0.980 1.00 0.00 O ATOM 1476 CB VAL A 115 9.305 0.872 -1.214 1.00 0.00 C ATOM 1477 CG1 VAL A 115 9.850 2.077 -0.463 1.00 0.00 C ATOM 1478 CG2 VAL A 115 7.983 1.207 -1.887 1.00 0.00 C ATOM 0 H VAL A 115 9.516 -1.507 -2.706 1.00 0.00 H new ATOM 0 HA VAL A 115 10.649 1.206 -2.876 1.00 0.00 H new ATOM 0 HB VAL A 115 9.126 0.074 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.113 2.416 0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.769 1.799 0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.060 2.881 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.272 1.558 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.141 1.987 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.587 0.316 -2.374 1.00 0.00 H new ATOM 1488 N ARG A 116 12.625 0.579 -1.501 1.00 0.00 N ATOM 1489 CA ARG A 116 13.852 0.167 -0.831 1.00 0.00 C ATOM 1490 C ARG A 116 14.355 1.275 0.074 1.00 0.00 C ATOM 1491 O ARG A 116 14.254 2.457 -0.244 1.00 0.00 O ATOM 1492 CB ARG A 116 14.928 -0.187 -1.868 1.00 0.00 C ATOM 1493 CG ARG A 116 16.255 -0.599 -1.248 1.00 0.00 C ATOM 1494 CD ARG A 116 16.175 -1.978 -0.606 1.00 0.00 C ATOM 1495 NE ARG A 116 17.027 -2.948 -1.291 1.00 0.00 N ATOM 1496 CZ ARG A 116 18.355 -2.871 -1.330 1.00 0.00 C ATOM 1497 NH1 ARG A 116 18.987 -1.872 -0.726 1.00 0.00 N ATOM 1498 NH2 ARG A 116 19.055 -3.795 -1.975 1.00 0.00 N ATOM 0 H ARG A 116 12.677 1.495 -1.948 1.00 0.00 H new ATOM 0 HA ARG A 116 13.638 -0.714 -0.226 1.00 0.00 H new ATOM 0 HB2 ARG A 116 14.562 -0.999 -2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 116 15.091 0.672 -2.519 1.00 0.00 H new ATOM 0 HG2 ARG A 116 17.030 -0.599 -2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 116 16.549 0.135 -0.498 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.472 -1.909 0.440 1.00 0.00 H new ATOM 0 HD3 ARG A 116 15.142 -2.327 -0.622 1.00 0.00 H new ATOM 0 HE ARG A 116 16.577 -3.730 -1.767 1.00 0.00 H new ATOM 0 HH11 ARG A 116 18.455 -1.158 -0.229 1.00 0.00 H new ATOM 0 HH12 ARG A 116 20.005 -1.818 -0.759 1.00 0.00 H new ATOM 0 HH21 ARG A 116 18.575 -4.565 -2.441 1.00 0.00 H new ATOM 0 HH22 ARG A 116 20.073 -3.735 -2.005 1.00 0.00 H new ATOM 1512 N VAL A 117 14.895 0.888 1.226 1.00 0.00 N ATOM 1513 CA VAL A 117 15.407 1.857 2.186 1.00 0.00 C ATOM 1514 C VAL A 117 16.910 2.068 2.013 1.00 0.00 C ATOM 1515 O VAL A 117 17.610 1.211 1.473 1.00 0.00 O ATOM 1516 CB VAL A 117 15.111 1.428 3.637 1.00 0.00 C ATOM 1517 CG1 VAL A 117 13.626 1.162 3.822 1.00 0.00 C ATOM 1518 CG2 VAL A 117 15.932 0.205 4.022 1.00 0.00 C ATOM 0 H VAL A 117 14.989 -0.086 1.515 1.00 0.00 H new ATOM 0 HA VAL A 117 14.893 2.797 1.989 1.00 0.00 H new ATOM 0 HB VAL A 117 15.398 2.245 4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 117 13.436 0.860 4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 117 13.063 2.069 3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 117 13.312 0.366 3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 117 15.705 -0.077 5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 117 15.687 -0.622 3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 117 16.993 0.438 3.936 1.00 0.00 H new ATOM 1528 N TYR A 118 17.396 3.216 2.473 1.00 0.00 N ATOM 1529 CA TYR A 118 18.814 3.548 2.366 1.00 0.00 C ATOM 1530 C TYR A 118 19.684 2.496 3.050 1.00 0.00 C ATOM 1531 O TYR A 118 20.292 1.656 2.396 1.00 0.00 O ATOM 1532 CB TYR A 118 19.081 4.925 2.978 1.00 0.00 C ATOM 1533 CG TYR A 118 19.117 6.044 1.961 1.00 0.00 C ATOM 1534 CD1 TYR A 118 17.955 6.476 1.335 1.00 0.00 C ATOM 1535 CD2 TYR A 118 20.312 6.668 1.636 1.00 0.00 C ATOM 1536 CE1 TYR A 118 17.982 7.498 0.405 1.00 0.00 C ATOM 1537 CE2 TYR A 118 20.348 7.691 0.699 1.00 0.00 C ATOM 1538 CZ TYR A 118 19.181 8.102 0.100 1.00 0.00 C ATOM 1539 OH TYR A 118 19.213 9.120 -0.817 1.00 0.00 O ATOM 0 H TYR A 118 16.829 3.934 2.924 1.00 0.00 H new ATOM 0 HA TYR A 118 19.075 3.567 1.308 1.00 0.00 H new ATOM 0 HB2 TYR A 118 18.309 5.141 3.716 1.00 0.00 H new ATOM 0 HB3 TYR A 118 20.032 4.898 3.510 1.00 0.00 H new ATOM 0 HD1 TYR A 118 17.014 6.005 1.579 1.00 0.00 H new ATOM 0 HD2 TYR A 118 21.226 6.354 2.118 1.00 0.00 H new ATOM 0 HE1 TYR A 118 17.071 7.820 -0.078 1.00 0.00 H new ATOM 0 HE2 TYR A 118 21.286 8.161 0.442 1.00 0.00 H new ATOM 0 HH TYR A 118 20.134 9.440 -0.919 1.00 0.00 H new ATOM 1549 N GLN A 119 19.744 2.553 4.377 1.00 0.00 N ATOM 1550 CA GLN A 119 20.547 1.610 5.156 1.00 0.00 C ATOM 1551 C GLN A 119 19.901 0.228 5.170 1.00 0.00 C ATOM 1552 O GLN A 119 18.727 0.086 5.510 1.00 0.00 O ATOM 1553 CB GLN A 119 20.734 2.118 6.579 1.00 0.00 C ATOM 1554 CG GLN A 119 21.207 3.561 6.664 1.00 0.00 C ATOM 1555 CD GLN A 119 22.691 3.702 6.385 1.00 0.00 C ATOM 1556 OE1 GLN A 119 23.437 2.722 6.424 1.00 0.00 O ATOM 1557 NE2 GLN A 119 23.130 4.927 6.124 1.00 0.00 N ATOM 0 H GLN A 119 19.246 3.243 4.939 1.00 0.00 H new ATOM 0 HA GLN A 119 21.525 1.527 4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 119 19.789 2.024 7.114 1.00 0.00 H new ATOM 0 HB3 GLN A 119 21.455 1.480 7.090 1.00 0.00 H new ATOM 0 HG2 GLN A 119 20.647 4.166 5.951 1.00 0.00 H new ATOM 0 HG3 GLN A 119 20.988 3.954 7.657 1.00 0.00 H new ATOM 0 HE21 GLN A 119 22.476 5.709 6.102 1.00 0.00 H new ATOM 0 HE22 GLN A 119 24.122 5.086 5.945 1.00 0.00 H new