USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 682 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 95 SER OG : rot -172:sc= 1.19 USER MOD Set 1.2: A 97 GLN :FLIP amide:sc= 0 F(o=0.45,f=1.2) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.17 USER MOD Set 2.2: A 23 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 21 THR OG1 : rot 135:sc= 0.713 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= -0.414 USER MOD Single : A 9 SER OG : rot -52:sc= 0.0893 USER MOD Single : A 13 GLN : amide:sc= -0.0784 K(o=-0.078,f=-1.7!) USER MOD Single : A 14 ASN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -1.8 X(o=-1.8,f=-2) USER MOD Single : A 18 THR OG1 : rot -25:sc= 0.0611 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.76 USER MOD Single : A 43 SER OG : rot -5:sc= 1.01 USER MOD Single : A 44 TYR OH : rot 90:sc= -0.569 USER MOD Single : A 45 THR OG1 : rot 108:sc= 0.715 USER MOD Single : A 52 ASN : amide:sc= -0.602! X(o=-0.6!,f=-0.67) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.646 K(o=-0.65,f=-2.3) USER MOD Single : A 55 GLN :FLIP amide:sc= -6.75 F(o=-13!,f=-6.7) USER MOD Single : A 58 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.7!) USER MOD Single : A 59 ASN : amide:sc= -4.83! C(o=-4.8!,f=-6.8!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0803 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0837 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -100:sc= -0.503 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 120:sc= 0.962 USER MOD Single : A 80 LYS NZ :NH3+ 149:sc= 0.864 (180deg=-0.428) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.112 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -150:sc= -1.03 USER MOD Single : A 93 SER OG : rot 73:sc= -1.12! USER MOD Single : A 98 SER OG : rot 120:sc= -0.0669 USER MOD Single : A 100 THR OG1 : rot -167:sc= 1.08 USER MOD Single : A 101 MET CE :methyl 151:sc= -1.96 (180deg=-4.73!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -3.210 -14.465 -4.091 1.00 0.00 N ATOM 67 CA PRO A 8 -4.557 -13.894 -4.187 1.00 0.00 C ATOM 68 C PRO A 8 -4.842 -13.308 -5.565 1.00 0.00 C ATOM 69 O PRO A 8 -3.931 -12.852 -6.257 1.00 0.00 O ATOM 70 CB PRO A 8 -4.550 -12.790 -3.127 1.00 0.00 C ATOM 71 CG PRO A 8 -3.116 -12.410 -2.984 1.00 0.00 C ATOM 72 CD PRO A 8 -2.329 -13.670 -3.219 1.00 0.00 C ATOM 0 HA PRO A 8 -5.331 -14.647 -4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.156 -11.939 -3.438 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.961 -13.146 -2.182 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.843 -11.639 -3.704 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.917 -12.004 -1.992 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.372 -13.462 -3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.113 -14.189 -2.285 1.00 0.00 H new ATOM 80 N SER A 9 -6.111 -13.321 -5.958 1.00 0.00 N ATOM 81 CA SER A 9 -6.516 -12.793 -7.256 1.00 0.00 C ATOM 82 C SER A 9 -7.475 -11.619 -7.089 1.00 0.00 C ATOM 83 O SER A 9 -8.302 -11.350 -7.960 1.00 0.00 O ATOM 84 CB SER A 9 -7.175 -13.891 -8.093 1.00 0.00 C ATOM 85 OG SER A 9 -7.156 -13.561 -9.472 1.00 0.00 O ATOM 0 H SER A 9 -6.877 -13.692 -5.396 1.00 0.00 H new ATOM 0 HA SER A 9 -5.624 -12.439 -7.772 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.655 -14.835 -7.935 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.204 -14.035 -7.764 1.00 0.00 H new ATOM 0 HG SER A 9 -7.534 -12.666 -9.599 1.00 0.00 H new ATOM 91 N GLY A 10 -7.358 -10.922 -5.963 1.00 0.00 N ATOM 92 CA GLY A 10 -8.221 -9.784 -5.702 1.00 0.00 C ATOM 93 C GLY A 10 -7.588 -8.782 -4.757 1.00 0.00 C ATOM 94 O GLY A 10 -7.303 -9.100 -3.603 1.00 0.00 O ATOM 0 H GLY A 10 -6.681 -11.125 -5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.460 -9.290 -6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.162 -10.135 -5.278 1.00 0.00 H new ATOM 98 N PHE A 11 -7.365 -7.567 -5.249 1.00 0.00 N ATOM 99 CA PHE A 11 -6.759 -6.515 -4.441 1.00 0.00 C ATOM 100 C PHE A 11 -7.785 -5.893 -3.500 1.00 0.00 C ATOM 101 O PHE A 11 -8.990 -5.919 -3.749 1.00 0.00 O ATOM 102 CB PHE A 11 -6.155 -5.435 -5.342 1.00 0.00 C ATOM 103 CG PHE A 11 -7.097 -4.946 -6.405 1.00 0.00 C ATOM 104 CD1 PHE A 11 -7.180 -5.593 -7.627 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.900 -3.839 -6.181 1.00 0.00 C ATOM 106 CE1 PHE A 11 -8.046 -5.144 -8.607 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.768 -3.386 -7.157 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.841 -4.040 -8.371 1.00 0.00 C ATOM 0 H PHE A 11 -7.595 -7.287 -6.203 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.967 -6.963 -3.841 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.845 -4.591 -4.726 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.257 -5.830 -5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.561 -6.458 -7.816 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.847 -3.324 -5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.101 -5.656 -9.556 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.388 -2.522 -6.970 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.519 -3.689 -9.135 1.00 0.00 H new ATOM 118 N PRO A 12 -7.297 -5.319 -2.389 1.00 0.00 N ATOM 119 CA PRO A 12 -8.155 -4.679 -1.387 1.00 0.00 C ATOM 120 C PRO A 12 -8.778 -3.385 -1.899 1.00 0.00 C ATOM 121 O PRO A 12 -8.492 -2.946 -3.013 1.00 0.00 O ATOM 122 CB PRO A 12 -7.193 -4.389 -0.232 1.00 0.00 C ATOM 123 CG PRO A 12 -5.851 -4.290 -0.871 1.00 0.00 C ATOM 124 CD PRO A 12 -5.872 -5.251 -2.027 1.00 0.00 C ATOM 0 HA PRO A 12 -8.999 -5.310 -1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.457 -3.463 0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.219 -5.184 0.513 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.655 -3.273 -1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.062 -4.547 -0.164 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.263 -4.894 -2.858 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.482 -6.229 -1.744 1.00 0.00 H new ATOM 132 N GLN A 13 -9.632 -2.780 -1.079 1.00 0.00 N ATOM 133 CA GLN A 13 -10.296 -1.536 -1.451 1.00 0.00 C ATOM 134 C GLN A 13 -10.258 -0.535 -0.302 1.00 0.00 C ATOM 135 O GLN A 13 -9.721 -0.822 0.767 1.00 0.00 O ATOM 136 CB GLN A 13 -11.745 -1.809 -1.858 1.00 0.00 C ATOM 137 CG GLN A 13 -11.937 -3.140 -2.568 1.00 0.00 C ATOM 138 CD GLN A 13 -11.604 -3.067 -4.045 1.00 0.00 C ATOM 139 OE1 GLN A 13 -11.308 -1.995 -4.574 1.00 0.00 O ATOM 140 NE2 GLN A 13 -11.651 -4.209 -4.720 1.00 0.00 N ATOM 0 H GLN A 13 -9.880 -3.131 -0.154 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.762 -1.108 -2.300 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.374 -1.787 -0.968 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.088 -1.006 -2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.308 -3.894 -2.095 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.970 -3.466 -2.448 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.901 -5.074 -4.241 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.437 -4.221 -5.717 1.00 0.00 H new ATOM 149 N ASN A 14 -10.832 0.642 -0.530 1.00 0.00 N ATOM 150 CA ASN A 14 -10.863 1.687 0.487 1.00 0.00 C ATOM 151 C ASN A 14 -9.451 2.148 0.836 1.00 0.00 C ATOM 152 O ASN A 14 -9.182 2.562 1.965 1.00 0.00 O ATOM 153 CB ASN A 14 -11.573 1.183 1.745 1.00 0.00 C ATOM 154 CG ASN A 14 -13.066 1.447 1.711 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.623 2.043 2.633 1.00 0.00 O ATOM 156 ND2 ASN A 14 -13.721 1.004 0.644 1.00 0.00 N ATOM 0 H ASN A 14 -11.282 0.896 -1.410 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.414 2.536 0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.398 0.113 1.853 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.141 1.667 2.621 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.727 1.153 0.565 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.218 0.515 -0.096 1.00 0.00 H new ATOM 163 N LEU A 15 -8.552 2.075 -0.139 1.00 0.00 N ATOM 164 CA LEU A 15 -7.167 2.485 0.065 1.00 0.00 C ATOM 165 C LEU A 15 -7.040 4.005 0.044 1.00 0.00 C ATOM 166 O LEU A 15 -7.344 4.650 -0.960 1.00 0.00 O ATOM 167 CB LEU A 15 -6.270 1.873 -1.012 1.00 0.00 C ATOM 168 CG LEU A 15 -4.764 1.967 -0.764 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.369 1.134 0.445 1.00 0.00 C ATOM 170 CD2 LEU A 15 -3.991 1.520 -1.997 1.00 0.00 C ATOM 0 H LEU A 15 -8.757 1.736 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.848 2.126 1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.535 0.821 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.493 2.360 -1.962 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.513 3.008 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.294 1.213 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.896 1.500 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.634 0.091 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.921 1.594 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.247 0.487 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.251 2.159 -2.841 1.00 0.00 H new ATOM 182 N HIS A 16 -6.588 4.571 1.158 1.00 0.00 N ATOM 183 CA HIS A 16 -6.418 6.016 1.268 1.00 0.00 C ATOM 184 C HIS A 16 -5.669 6.380 2.546 1.00 0.00 C ATOM 185 O HIS A 16 -5.276 5.505 3.318 1.00 0.00 O ATOM 186 CB HIS A 16 -7.778 6.713 1.244 1.00 0.00 C ATOM 187 CG HIS A 16 -8.797 6.071 2.134 1.00 0.00 C ATOM 188 ND1 HIS A 16 -9.775 5.219 1.666 1.00 0.00 N ATOM 189 CD2 HIS A 16 -8.985 6.159 3.471 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.521 4.812 2.677 1.00 0.00 C ATOM 191 NE2 HIS A 16 -10.063 5.367 3.784 1.00 0.00 N ATOM 0 H HIS A 16 -6.333 4.051 1.998 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.829 6.354 0.415 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.649 7.753 1.544 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.155 6.721 0.221 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.397 6.743 4.163 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.363 4.139 2.610 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.447 5.230 4.719 1.00 0.00 H new ATOM 200 N VAL A 17 -5.474 7.676 2.763 1.00 0.00 N ATOM 201 CA VAL A 17 -4.772 8.156 3.947 1.00 0.00 C ATOM 202 C VAL A 17 -5.741 8.783 4.944 1.00 0.00 C ATOM 203 O VAL A 17 -6.557 9.632 4.584 1.00 0.00 O ATOM 204 CB VAL A 17 -3.691 9.190 3.579 1.00 0.00 C ATOM 205 CG1 VAL A 17 -2.936 9.639 4.821 1.00 0.00 C ATOM 206 CG2 VAL A 17 -2.736 8.616 2.543 1.00 0.00 C ATOM 0 H VAL A 17 -5.792 8.413 2.134 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.294 7.290 4.404 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.180 10.062 3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.177 10.369 4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.633 10.092 5.526 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.457 8.778 5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.979 9.360 2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.252 7.727 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.292 8.350 1.644 1.00 0.00 H new ATOM 216 N THR A 18 -5.645 8.360 6.201 1.00 0.00 N ATOM 217 CA THR A 18 -6.513 8.878 7.250 1.00 0.00 C ATOM 218 C THR A 18 -5.885 10.088 7.934 1.00 0.00 C ATOM 219 O THR A 18 -6.566 10.846 8.623 1.00 0.00 O ATOM 220 CB THR A 18 -6.817 7.803 8.310 1.00 0.00 C ATOM 221 OG1 THR A 18 -7.748 8.313 9.272 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.542 7.363 9.015 1.00 0.00 C ATOM 0 H THR A 18 -4.974 7.660 6.517 1.00 0.00 H new ATOM 0 HA THR A 18 -7.445 9.177 6.771 1.00 0.00 H new ATOM 0 HB THR A 18 -7.252 6.940 7.806 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.685 9.291 9.302 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.781 6.603 9.759 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.847 6.949 8.285 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.084 8.221 9.507 1.00 0.00 H new ATOM 230 N GLY A 19 -4.582 10.262 7.740 1.00 0.00 N ATOM 231 CA GLY A 19 -3.885 11.382 8.344 1.00 0.00 C ATOM 232 C GLY A 19 -2.442 11.482 7.889 1.00 0.00 C ATOM 233 O GLY A 19 -1.525 11.110 8.622 1.00 0.00 O ATOM 0 H GLY A 19 -3.996 9.647 7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.406 12.307 8.095 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.914 11.282 9.429 1.00 0.00 H new ATOM 237 N LEU A 20 -2.240 11.983 6.676 1.00 0.00 N ATOM 238 CA LEU A 20 -0.898 12.129 6.122 1.00 0.00 C ATOM 239 C LEU A 20 -0.079 13.126 6.935 1.00 0.00 C ATOM 240 O LEU A 20 -0.608 13.815 7.808 1.00 0.00 O ATOM 241 CB LEU A 20 -0.974 12.582 4.663 1.00 0.00 C ATOM 242 CG LEU A 20 -0.978 14.093 4.429 1.00 0.00 C ATOM 243 CD1 LEU A 20 -1.288 14.407 2.974 1.00 0.00 C ATOM 244 CD2 LEU A 20 -1.982 14.773 5.349 1.00 0.00 C ATOM 0 H LEU A 20 -2.988 12.295 6.057 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.404 11.158 6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.128 12.154 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.878 12.163 4.220 1.00 0.00 H new ATOM 0 HG LEU A 20 0.015 14.479 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.287 15.487 2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.531 13.952 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.269 14.007 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.971 15.848 5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.980 14.382 5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.715 14.577 6.387 1.00 0.00 H new ATOM 256 N THR A 21 1.215 13.200 6.641 1.00 0.00 N ATOM 257 CA THR A 21 2.107 14.114 7.343 1.00 0.00 C ATOM 258 C THR A 21 3.149 14.700 6.397 1.00 0.00 C ATOM 259 O THR A 21 3.386 14.170 5.311 1.00 0.00 O ATOM 260 CB THR A 21 2.827 13.411 8.509 1.00 0.00 C ATOM 261 OG1 THR A 21 1.893 12.630 9.262 1.00 0.00 O ATOM 262 CG2 THR A 21 3.499 14.426 9.421 1.00 0.00 C ATOM 0 H THR A 21 1.669 12.638 5.921 1.00 0.00 H new ATOM 0 HA THR A 21 1.487 14.918 7.740 1.00 0.00 H new ATOM 0 HB THR A 21 3.593 12.757 8.092 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.278 11.748 9.447 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.001 13.906 10.237 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.231 14.999 8.851 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.748 15.102 9.829 1.00 0.00 H new ATOM 270 N THR A 22 3.770 15.799 6.816 1.00 0.00 N ATOM 271 CA THR A 22 4.787 16.458 6.006 1.00 0.00 C ATOM 272 C THR A 22 5.875 15.477 5.583 1.00 0.00 C ATOM 273 O THR A 22 6.258 15.425 4.414 1.00 0.00 O ATOM 274 CB THR A 22 5.436 17.631 6.764 1.00 0.00 C ATOM 275 OG1 THR A 22 6.203 17.136 7.868 1.00 0.00 O ATOM 276 CG2 THR A 22 4.378 18.600 7.269 1.00 0.00 C ATOM 0 H THR A 22 3.586 16.251 7.712 1.00 0.00 H new ATOM 0 HA THR A 22 4.284 16.842 5.119 1.00 0.00 H new ATOM 0 HB THR A 22 6.093 18.162 6.075 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.614 17.888 8.344 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.860 19.420 7.801 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.815 18.997 6.424 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.700 18.078 7.944 1.00 0.00 H new ATOM 284 N SER A 23 6.368 14.699 6.541 1.00 0.00 N ATOM 285 CA SER A 23 7.415 13.721 6.269 1.00 0.00 C ATOM 286 C SER A 23 6.832 12.314 6.175 1.00 0.00 C ATOM 287 O SER A 23 7.263 11.503 5.354 1.00 0.00 O ATOM 288 CB SER A 23 8.485 13.770 7.360 1.00 0.00 C ATOM 289 OG SER A 23 8.961 15.091 7.549 1.00 0.00 O ATOM 0 H SER A 23 6.059 14.727 7.513 1.00 0.00 H new ATOM 0 HA SER A 23 7.872 13.971 5.312 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.073 13.392 8.295 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.314 13.116 7.090 1.00 0.00 H new ATOM 0 HG SER A 23 9.643 15.095 8.253 1.00 0.00 H new ATOM 295 N THR A 24 5.848 12.029 7.023 1.00 0.00 N ATOM 296 CA THR A 24 5.206 10.721 7.037 1.00 0.00 C ATOM 297 C THR A 24 3.830 10.777 6.384 1.00 0.00 C ATOM 298 O THR A 24 3.303 11.856 6.110 1.00 0.00 O ATOM 299 CB THR A 24 5.059 10.184 8.474 1.00 0.00 C ATOM 300 OG1 THR A 24 3.914 10.771 9.101 1.00 0.00 O ATOM 301 CG2 THR A 24 6.304 10.485 9.294 1.00 0.00 C ATOM 0 H THR A 24 5.479 12.687 7.709 1.00 0.00 H new ATOM 0 HA THR A 24 5.847 10.047 6.469 1.00 0.00 H new ATOM 0 HB THR A 24 4.930 9.103 8.423 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.827 10.424 10.013 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.177 10.097 10.304 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.169 10.012 8.829 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.460 11.563 9.337 1.00 0.00 H new ATOM 309 N THR A 25 3.249 9.606 6.137 1.00 0.00 N ATOM 310 CA THR A 25 1.934 9.522 5.515 1.00 0.00 C ATOM 311 C THR A 25 1.171 8.298 6.008 1.00 0.00 C ATOM 312 O THR A 25 1.558 7.162 5.733 1.00 0.00 O ATOM 313 CB THR A 25 2.041 9.462 3.980 1.00 0.00 C ATOM 314 OG1 THR A 25 2.239 10.778 3.451 1.00 0.00 O ATOM 315 CG2 THR A 25 0.787 8.850 3.373 1.00 0.00 C ATOM 0 H THR A 25 3.669 8.703 6.359 1.00 0.00 H new ATOM 0 HA THR A 25 1.392 10.424 5.799 1.00 0.00 H new ATOM 0 HB THR A 25 2.894 8.834 3.722 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.308 10.731 2.475 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.886 8.818 2.288 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.655 7.838 3.755 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.079 9.455 3.641 1.00 0.00 H new ATOM 323 N GLU A 26 0.085 8.537 6.736 1.00 0.00 N ATOM 324 CA GLU A 26 -0.732 7.452 7.267 1.00 0.00 C ATOM 325 C GLU A 26 -1.545 6.790 6.158 1.00 0.00 C ATOM 326 O GLU A 26 -1.670 7.330 5.057 1.00 0.00 O ATOM 327 CB GLU A 26 -1.669 7.976 8.357 1.00 0.00 C ATOM 328 CG GLU A 26 -0.972 8.249 9.679 1.00 0.00 C ATOM 329 CD GLU A 26 -1.943 8.362 10.838 1.00 0.00 C ATOM 330 OE1 GLU A 26 -2.643 7.369 11.126 1.00 0.00 O ATOM 331 OE2 GLU A 26 -2.002 9.445 11.458 1.00 0.00 O ATOM 0 H GLU A 26 -0.249 9.471 6.971 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.064 6.707 7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.141 8.895 8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.466 7.250 8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.261 7.448 9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.398 9.172 9.599 1.00 0.00 H new ATOM 338 N LEU A 27 -2.094 5.617 6.454 1.00 0.00 N ATOM 339 CA LEU A 27 -2.895 4.880 5.483 1.00 0.00 C ATOM 340 C LEU A 27 -4.014 4.108 6.174 1.00 0.00 C ATOM 341 O LEU A 27 -3.997 3.927 7.391 1.00 0.00 O ATOM 342 CB LEU A 27 -2.010 3.917 4.689 1.00 0.00 C ATOM 343 CG LEU A 27 -0.805 4.540 3.983 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.057 3.461 3.346 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.262 5.546 2.937 1.00 0.00 C ATOM 0 H LEU A 27 -1.999 5.156 7.359 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.344 5.599 4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.649 3.144 5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.628 3.421 3.941 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.204 5.065 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.910 3.923 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.413 2.778 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.533 2.908 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.392 5.980 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.885 5.044 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.837 6.336 3.419 1.00 0.00 H new ATOM 357 N ALA A 28 -4.985 3.653 5.388 1.00 0.00 N ATOM 358 CA ALA A 28 -6.110 2.897 5.923 1.00 0.00 C ATOM 359 C ALA A 28 -6.941 2.281 4.802 1.00 0.00 C ATOM 360 O ALA A 28 -7.687 2.979 4.116 1.00 0.00 O ATOM 361 CB ALA A 28 -6.978 3.790 6.797 1.00 0.00 C ATOM 0 H ALA A 28 -5.015 3.795 4.378 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.713 2.086 6.533 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.815 3.212 7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.384 4.177 7.625 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.358 4.621 6.203 1.00 0.00 H new ATOM 367 N TRP A 29 -6.805 0.972 4.623 1.00 0.00 N ATOM 368 CA TRP A 29 -7.544 0.263 3.584 1.00 0.00 C ATOM 369 C TRP A 29 -8.333 -0.900 4.174 1.00 0.00 C ATOM 370 O TRP A 29 -8.333 -1.110 5.387 1.00 0.00 O ATOM 371 CB TRP A 29 -6.585 -0.248 2.507 1.00 0.00 C ATOM 372 CG TRP A 29 -5.546 -1.190 3.036 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.632 -2.552 3.104 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.266 -0.840 3.573 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.483 -3.069 3.650 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.628 -2.040 3.946 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.595 0.369 3.773 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.355 -2.062 4.507 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.331 0.346 4.331 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.721 -0.863 4.692 1.00 0.00 C ATOM 0 H TRP A 29 -6.191 0.381 5.183 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.248 0.962 3.132 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.159 -0.751 1.729 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.090 0.602 2.039 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.479 -3.136 2.776 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.296 -4.059 3.809 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.056 1.306 3.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.884 -2.993 4.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.804 1.275 4.492 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.732 -0.848 5.125 1.00 0.00 H new ATOM 391 N ASP A 30 -9.003 -1.654 3.310 1.00 0.00 N ATOM 392 CA ASP A 30 -9.796 -2.797 3.746 1.00 0.00 C ATOM 393 C ASP A 30 -9.367 -4.066 3.016 1.00 0.00 C ATOM 394 O ASP A 30 -8.708 -4.021 1.977 1.00 0.00 O ATOM 395 CB ASP A 30 -11.284 -2.535 3.508 1.00 0.00 C ATOM 396 CG ASP A 30 -11.962 -1.911 4.712 1.00 0.00 C ATOM 397 OD1 ASP A 30 -11.538 -0.813 5.129 1.00 0.00 O ATOM 398 OD2 ASP A 30 -12.916 -2.522 5.237 1.00 0.00 O ATOM 0 H ASP A 30 -9.013 -1.494 2.303 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.627 -2.938 4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.401 -1.877 2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.780 -3.474 3.261 1.00 0.00 H new ATOM 403 N PRO A 31 -9.747 -5.226 3.571 1.00 0.00 N ATOM 404 CA PRO A 31 -9.412 -6.530 2.990 1.00 0.00 C ATOM 405 C PRO A 31 -10.163 -6.794 1.689 1.00 0.00 C ATOM 406 O PRO A 31 -11.185 -6.173 1.396 1.00 0.00 O ATOM 407 CB PRO A 31 -9.849 -7.523 4.070 1.00 0.00 C ATOM 408 CG PRO A 31 -10.912 -6.810 4.832 1.00 0.00 C ATOM 409 CD PRO A 31 -10.533 -5.355 4.810 1.00 0.00 C ATOM 0 HA PRO A 31 -8.356 -6.601 2.729 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.228 -8.445 3.630 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.015 -7.798 4.716 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.890 -6.965 4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.975 -7.181 5.855 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.412 -4.711 4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.948 -5.079 5.687 1.00 0.00 H new ATOM 417 N PRO A 32 -9.646 -7.737 0.888 1.00 0.00 N ATOM 418 CA PRO A 32 -10.252 -8.106 -0.395 1.00 0.00 C ATOM 419 C PRO A 32 -11.577 -8.841 -0.220 1.00 0.00 C ATOM 420 O PRO A 32 -11.781 -9.546 0.768 1.00 0.00 O ATOM 421 CB PRO A 32 -9.209 -9.028 -1.029 1.00 0.00 C ATOM 422 CG PRO A 32 -8.454 -9.595 0.124 1.00 0.00 C ATOM 423 CD PRO A 32 -8.430 -8.518 1.173 1.00 0.00 C ATOM 0 HA PRO A 32 -10.490 -7.231 -1.000 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.681 -9.814 -1.618 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.551 -8.478 -1.701 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.937 -10.496 0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.443 -9.875 -0.171 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.448 -8.937 2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.532 -7.905 1.099 1.00 0.00 H new ATOM 560 N ILE A 41 -5.529 -14.393 4.055 1.00 0.00 N ATOM 561 CA ILE A 41 -4.566 -13.300 4.110 1.00 0.00 C ATOM 562 C ILE A 41 -3.645 -13.438 5.317 1.00 0.00 C ATOM 563 O ILE A 41 -4.045 -13.956 6.360 1.00 0.00 O ATOM 564 CB ILE A 41 -5.272 -11.932 4.171 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.375 -11.855 3.114 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.265 -10.808 3.976 1.00 0.00 C ATOM 567 CD1 ILE A 41 -5.950 -12.372 1.758 1.00 0.00 C ATOM 0 HA ILE A 41 -3.974 -13.355 3.197 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.729 -11.819 5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.237 -12.427 3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.699 -10.819 3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.778 -9.848 4.022 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.511 -10.854 4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.783 -10.916 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.782 -12.287 1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.107 -11.785 1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.654 -13.417 1.844 1.00 0.00 H new ATOM 579 N ILE A 42 -2.410 -12.971 5.168 1.00 0.00 N ATOM 580 CA ILE A 42 -1.432 -13.040 6.247 1.00 0.00 C ATOM 581 C ILE A 42 -0.807 -11.675 6.510 1.00 0.00 C ATOM 582 O ILE A 42 -0.427 -11.362 7.639 1.00 0.00 O ATOM 583 CB ILE A 42 -0.315 -14.052 5.931 1.00 0.00 C ATOM 584 CG1 ILE A 42 0.327 -13.730 4.579 1.00 0.00 C ATOM 585 CG2 ILE A 42 -0.867 -15.470 5.936 1.00 0.00 C ATOM 586 CD1 ILE A 42 1.581 -14.528 4.300 1.00 0.00 C ATOM 0 H ILE A 42 -2.063 -12.541 4.311 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.967 -13.369 7.138 1.00 0.00 H new ATOM 0 HB ILE A 42 0.451 -13.978 6.703 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.398 -13.919 3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.567 -12.667 4.544 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.065 -16.173 5.711 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.282 -15.695 6.918 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.649 -15.559 5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.981 -14.248 3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.323 -14.320 5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.343 -15.592 4.302 1.00 0.00 H new ATOM 598 N SER A 43 -0.704 -10.865 5.462 1.00 0.00 N ATOM 599 CA SER A 43 -0.123 -9.532 5.579 1.00 0.00 C ATOM 600 C SER A 43 -0.240 -8.771 4.261 1.00 0.00 C ATOM 601 O SER A 43 -0.557 -9.351 3.222 1.00 0.00 O ATOM 602 CB SER A 43 1.345 -9.628 5.997 1.00 0.00 C ATOM 603 OG SER A 43 1.733 -8.499 6.760 1.00 0.00 O ATOM 0 H SER A 43 -1.015 -11.108 4.522 1.00 0.00 H new ATOM 0 HA SER A 43 -0.676 -8.987 6.344 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.502 -10.536 6.580 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.974 -9.705 5.110 1.00 0.00 H new ATOM 0 HG SER A 43 0.993 -7.858 6.795 1.00 0.00 H new ATOM 609 N TYR A 44 0.019 -7.469 4.313 1.00 0.00 N ATOM 610 CA TYR A 44 -0.059 -6.627 3.125 1.00 0.00 C ATOM 611 C TYR A 44 1.228 -5.830 2.937 1.00 0.00 C ATOM 612 O TYR A 44 1.951 -5.558 3.897 1.00 0.00 O ATOM 613 CB TYR A 44 -1.251 -5.674 3.228 1.00 0.00 C ATOM 614 CG TYR A 44 -2.585 -6.380 3.323 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.911 -7.143 4.438 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.518 -6.284 2.299 1.00 0.00 C ATOM 617 CE1 TYR A 44 -4.128 -7.791 4.528 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.738 -6.927 2.382 1.00 0.00 C ATOM 619 CZ TYR A 44 -5.038 -7.680 3.498 1.00 0.00 C ATOM 620 OH TYR A 44 -6.252 -8.322 3.585 1.00 0.00 O ATOM 0 H TYR A 44 0.285 -6.974 5.164 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.194 -7.275 2.259 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.123 -5.039 4.104 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.258 -5.019 2.357 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.201 -7.231 5.247 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.286 -5.697 1.423 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.365 -8.381 5.401 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.453 -6.840 1.577 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.906 -7.729 4.010 1.00 0.00 H new ATOM 630 N THR A 45 1.510 -5.459 1.692 1.00 0.00 N ATOM 631 CA THR A 45 2.710 -4.694 1.376 1.00 0.00 C ATOM 632 C THR A 45 2.355 -3.310 0.843 1.00 0.00 C ATOM 633 O THR A 45 1.738 -3.181 -0.215 1.00 0.00 O ATOM 634 CB THR A 45 3.583 -5.423 0.338 1.00 0.00 C ATOM 635 OG1 THR A 45 4.164 -6.594 0.922 1.00 0.00 O ATOM 636 CG2 THR A 45 4.683 -4.510 -0.181 1.00 0.00 C ATOM 0 H THR A 45 0.924 -5.676 0.886 1.00 0.00 H new ATOM 0 HA THR A 45 3.272 -4.590 2.304 1.00 0.00 H new ATOM 0 HB THR A 45 2.948 -5.712 -0.499 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.731 -7.392 0.554 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.287 -5.047 -0.913 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.237 -3.634 -0.651 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.315 -4.194 0.649 1.00 0.00 H new ATOM 644 N VAL A 46 2.749 -2.278 1.581 1.00 0.00 N ATOM 645 CA VAL A 46 2.475 -0.903 1.181 1.00 0.00 C ATOM 646 C VAL A 46 3.626 -0.327 0.365 1.00 0.00 C ATOM 647 O VAL A 46 4.647 0.086 0.917 1.00 0.00 O ATOM 648 CB VAL A 46 2.226 -0.002 2.405 1.00 0.00 C ATOM 649 CG1 VAL A 46 2.104 1.454 1.981 1.00 0.00 C ATOM 650 CG2 VAL A 46 0.982 -0.453 3.156 1.00 0.00 C ATOM 0 H VAL A 46 3.259 -2.368 2.460 1.00 0.00 H new ATOM 0 HA VAL A 46 1.575 -0.926 0.566 1.00 0.00 H new ATOM 0 HB VAL A 46 3.079 -0.090 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.928 2.075 2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.026 1.769 1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.270 1.562 1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.822 0.195 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.117 -0.397 2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.114 -1.481 3.495 1.00 0.00 H new ATOM 660 N VAL A 47 3.456 -0.302 -0.953 1.00 0.00 N ATOM 661 CA VAL A 47 4.481 0.225 -1.846 1.00 0.00 C ATOM 662 C VAL A 47 4.275 1.714 -2.101 1.00 0.00 C ATOM 663 O VAL A 47 3.274 2.120 -2.692 1.00 0.00 O ATOM 664 CB VAL A 47 4.487 -0.520 -3.194 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.758 -0.210 -3.970 1.00 0.00 C ATOM 666 CG2 VAL A 47 4.339 -2.018 -2.975 1.00 0.00 C ATOM 0 H VAL A 47 2.618 -0.641 -1.426 1.00 0.00 H new ATOM 0 HA VAL A 47 5.441 0.074 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 47 3.637 -0.176 -3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.744 -0.745 -4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.817 0.862 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.625 -0.524 -3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.345 -2.529 -3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.168 -2.380 -2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.398 -2.220 -2.463 1.00 0.00 H new ATOM 676 N PHE A 48 5.229 2.523 -1.653 1.00 0.00 N ATOM 677 CA PHE A 48 5.152 3.968 -1.833 1.00 0.00 C ATOM 678 C PHE A 48 6.363 4.485 -2.604 1.00 0.00 C ATOM 679 O PHE A 48 7.501 4.120 -2.311 1.00 0.00 O ATOM 680 CB PHE A 48 5.061 4.668 -0.475 1.00 0.00 C ATOM 681 CG PHE A 48 6.185 4.316 0.457 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.293 3.039 0.982 1.00 0.00 C ATOM 683 CD2 PHE A 48 7.134 5.263 0.807 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.326 2.713 1.841 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.169 4.943 1.665 1.00 0.00 C ATOM 686 CZ PHE A 48 8.266 3.666 2.182 1.00 0.00 C ATOM 0 H PHE A 48 6.064 2.203 -1.163 1.00 0.00 H new ATOM 0 HA PHE A 48 4.254 4.190 -2.410 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.053 5.747 -0.631 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.113 4.407 -0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.562 2.289 0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.064 6.263 0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.398 1.714 2.245 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.901 5.691 1.931 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.075 3.413 2.851 1.00 0.00 H new ATOM 696 N ARG A 49 6.108 5.337 -3.592 1.00 0.00 N ATOM 697 CA ARG A 49 7.176 5.903 -4.407 1.00 0.00 C ATOM 698 C ARG A 49 6.782 7.278 -4.940 1.00 0.00 C ATOM 699 O ARG A 49 5.642 7.491 -5.355 1.00 0.00 O ATOM 700 CB ARG A 49 7.508 4.969 -5.572 1.00 0.00 C ATOM 701 CG ARG A 49 8.281 5.644 -6.693 1.00 0.00 C ATOM 702 CD ARG A 49 8.427 4.728 -7.898 1.00 0.00 C ATOM 703 NE ARG A 49 7.133 4.276 -8.402 1.00 0.00 N ATOM 704 CZ ARG A 49 6.382 4.984 -9.238 1.00 0.00 C ATOM 705 NH1 ARG A 49 6.794 6.171 -9.661 1.00 0.00 N ATOM 706 NH2 ARG A 49 5.216 4.504 -9.652 1.00 0.00 N ATOM 0 H ARG A 49 5.171 5.650 -3.847 1.00 0.00 H new ATOM 0 HA ARG A 49 8.059 6.015 -3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.090 4.127 -5.197 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.581 4.562 -5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.769 6.559 -6.990 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.268 5.934 -6.333 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.961 5.253 -8.690 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.032 3.863 -7.625 1.00 0.00 H new ATOM 0 HE ARG A 49 6.787 3.367 -8.095 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.690 6.543 -9.344 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.215 6.713 -10.303 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.896 3.591 -9.328 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.640 5.048 -10.294 1.00 0.00 H new ATOM 720 N ASP A 50 7.732 8.206 -4.926 1.00 0.00 N ATOM 721 CA ASP A 50 7.484 9.560 -5.409 1.00 0.00 C ATOM 722 C ASP A 50 7.394 9.586 -6.932 1.00 0.00 C ATOM 723 O ASP A 50 8.381 9.339 -7.626 1.00 0.00 O ATOM 724 CB ASP A 50 8.591 10.503 -4.935 1.00 0.00 C ATOM 725 CG ASP A 50 8.448 11.899 -5.509 1.00 0.00 C ATOM 726 OD1 ASP A 50 7.325 12.258 -5.921 1.00 0.00 O ATOM 727 OD2 ASP A 50 9.458 12.632 -5.548 1.00 0.00 O ATOM 0 H ASP A 50 8.680 8.046 -4.586 1.00 0.00 H new ATOM 0 HA ASP A 50 6.531 9.896 -5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.576 10.558 -3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.560 10.093 -5.220 1.00 0.00 H new ATOM 732 N ILE A 51 6.206 9.886 -7.444 1.00 0.00 N ATOM 733 CA ILE A 51 5.988 9.945 -8.884 1.00 0.00 C ATOM 734 C ILE A 51 6.889 10.988 -9.535 1.00 0.00 C ATOM 735 O ILE A 51 6.986 11.063 -10.759 1.00 0.00 O ATOM 736 CB ILE A 51 4.520 10.270 -9.218 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.129 11.628 -8.632 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.602 9.176 -8.693 1.00 0.00 C ATOM 739 CD1 ILE A 51 2.839 12.181 -9.195 1.00 0.00 C ATOM 0 H ILE A 51 5.379 10.092 -6.883 1.00 0.00 H new ATOM 0 HA ILE A 51 6.233 8.960 -9.281 1.00 0.00 H new ATOM 0 HB ILE A 51 4.412 10.319 -10.302 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.033 11.534 -7.550 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.932 12.340 -8.820 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.568 9.420 -8.937 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.869 8.225 -9.154 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.711 9.098 -7.611 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.625 13.145 -8.734 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.937 12.308 -10.273 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.024 11.489 -8.984 1.00 0.00 H new ATOM 751 N ASN A 52 7.548 11.792 -8.706 1.00 0.00 N ATOM 752 CA ASN A 52 8.443 12.832 -9.201 1.00 0.00 C ATOM 753 C ASN A 52 9.901 12.399 -9.077 1.00 0.00 C ATOM 754 O ASN A 52 10.803 13.071 -9.577 1.00 0.00 O ATOM 755 CB ASN A 52 8.219 14.135 -8.432 1.00 0.00 C ATOM 756 CG ASN A 52 6.773 14.589 -8.471 1.00 0.00 C ATOM 757 OD1 ASN A 52 6.403 15.455 -9.264 1.00 0.00 O ATOM 758 ND2 ASN A 52 5.946 14.004 -7.612 1.00 0.00 N ATOM 0 H ASN A 52 7.479 11.743 -7.690 1.00 0.00 H new ATOM 0 HA ASN A 52 8.220 12.997 -10.255 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.526 13.999 -7.395 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.853 14.915 -8.853 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.961 14.268 -7.592 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.296 13.291 -6.972 1.00 0.00 H new ATOM 765 N SER A 53 10.123 11.272 -8.408 1.00 0.00 N ATOM 766 CA SER A 53 11.471 10.751 -8.215 1.00 0.00 C ATOM 767 C SER A 53 11.522 9.255 -8.509 1.00 0.00 C ATOM 768 O SER A 53 10.487 8.603 -8.646 1.00 0.00 O ATOM 769 CB SER A 53 11.943 11.017 -6.784 1.00 0.00 C ATOM 770 OG SER A 53 12.608 12.265 -6.691 1.00 0.00 O ATOM 0 H SER A 53 9.387 10.702 -7.991 1.00 0.00 H new ATOM 0 HA SER A 53 12.135 11.264 -8.911 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.088 11.005 -6.108 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.613 10.219 -6.464 1.00 0.00 H new ATOM 0 HG SER A 53 12.898 12.413 -5.767 1.00 0.00 H new ATOM 776 N GLN A 54 12.734 8.718 -8.605 1.00 0.00 N ATOM 777 CA GLN A 54 12.920 7.299 -8.884 1.00 0.00 C ATOM 778 C GLN A 54 13.122 6.512 -7.593 1.00 0.00 C ATOM 779 O GLN A 54 13.567 5.365 -7.618 1.00 0.00 O ATOM 780 CB GLN A 54 14.118 7.093 -9.813 1.00 0.00 C ATOM 781 CG GLN A 54 13.869 7.558 -11.239 1.00 0.00 C ATOM 782 CD GLN A 54 13.856 9.068 -11.367 1.00 0.00 C ATOM 783 OE1 GLN A 54 14.506 9.774 -10.595 1.00 0.00 O ATOM 784 NE2 GLN A 54 13.115 9.574 -12.346 1.00 0.00 N ATOM 0 H GLN A 54 13.601 9.244 -8.494 1.00 0.00 H new ATOM 0 HA GLN A 54 12.020 6.930 -9.376 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.977 7.630 -9.409 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.380 6.035 -9.825 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.641 7.149 -11.890 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.915 7.160 -11.586 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.592 8.953 -12.963 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.069 10.584 -12.481 1.00 0.00 H new ATOM 793 N GLN A 55 12.792 7.137 -6.468 1.00 0.00 N ATOM 794 CA GLN A 55 12.939 6.495 -5.167 1.00 0.00 C ATOM 795 C GLN A 55 11.749 5.589 -4.870 1.00 0.00 C ATOM 796 O GLN A 55 10.638 6.065 -4.639 1.00 0.00 O ATOM 797 CB GLN A 55 13.080 7.549 -4.067 1.00 0.00 C ATOM 798 CG GLN A 55 13.037 6.971 -2.662 1.00 0.00 C ATOM 799 CD GLN A 55 11.632 6.913 -2.097 1.00 0.00 C ATOM 800 OE1 GLN A 55 10.978 5.768 -2.253 1.00 0.00 O flip ATOM 801 NE2 GLN A 55 11.138 7.886 -1.527 1.00 0.00 N flip ATOM 0 H GLN A 55 12.421 8.087 -6.431 1.00 0.00 H new ATOM 0 HA GLN A 55 13.841 5.883 -5.192 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.022 8.081 -4.203 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.281 8.283 -4.174 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.462 5.967 -2.673 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.664 7.575 -2.006 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.676 8.747 -1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.191 7.831 -1.153 1.00 0.00 H new ATOM 810 N GLU A 56 11.989 4.282 -4.877 1.00 0.00 N ATOM 811 CA GLU A 56 10.936 3.310 -4.609 1.00 0.00 C ATOM 812 C GLU A 56 11.152 2.632 -3.260 1.00 0.00 C ATOM 813 O GLU A 56 12.272 2.255 -2.913 1.00 0.00 O ATOM 814 CB GLU A 56 10.887 2.258 -5.720 1.00 0.00 C ATOM 815 CG GLU A 56 9.644 1.385 -5.677 1.00 0.00 C ATOM 816 CD GLU A 56 9.366 0.701 -7.001 1.00 0.00 C ATOM 817 OE1 GLU A 56 10.335 0.279 -7.666 1.00 0.00 O ATOM 818 OE2 GLU A 56 8.179 0.589 -7.373 1.00 0.00 O ATOM 0 H GLU A 56 12.904 3.872 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 56 9.985 3.842 -4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.935 2.760 -6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.770 1.623 -5.647 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.762 0.630 -4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.785 1.996 -5.400 1.00 0.00 H new ATOM 825 N LEU A 57 10.071 2.479 -2.502 1.00 0.00 N ATOM 826 CA LEU A 57 10.141 1.846 -1.189 1.00 0.00 C ATOM 827 C LEU A 57 8.862 1.071 -0.890 1.00 0.00 C ATOM 828 O LEU A 57 7.804 1.364 -1.446 1.00 0.00 O ATOM 829 CB LEU A 57 10.379 2.899 -0.105 1.00 0.00 C ATOM 830 CG LEU A 57 11.656 3.728 -0.244 1.00 0.00 C ATOM 831 CD1 LEU A 57 11.476 5.097 0.395 1.00 0.00 C ATOM 832 CD2 LEU A 57 12.836 2.998 0.381 1.00 0.00 C ATOM 0 H LEU A 57 9.136 2.784 -2.774 1.00 0.00 H new ATOM 0 HA LEU A 57 10.976 1.145 -1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.527 3.579 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.399 2.397 0.863 1.00 0.00 H new ATOM 0 HG LEU A 57 11.861 3.869 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.395 5.673 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.658 5.623 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.246 4.977 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.737 3.603 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.639 2.827 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.979 2.041 -0.121 1.00 0.00 H new ATOM 844 N GLN A 58 8.967 0.084 -0.006 1.00 0.00 N ATOM 845 CA GLN A 58 7.818 -0.732 0.368 1.00 0.00 C ATOM 846 C GLN A 58 7.859 -1.081 1.852 1.00 0.00 C ATOM 847 O GLN A 58 8.900 -0.970 2.497 1.00 0.00 O ATOM 848 CB GLN A 58 7.780 -2.012 -0.469 1.00 0.00 C ATOM 849 CG GLN A 58 7.659 -1.759 -1.963 1.00 0.00 C ATOM 850 CD GLN A 58 8.320 -2.841 -2.794 1.00 0.00 C ATOM 851 OE1 GLN A 58 8.764 -3.861 -2.266 1.00 0.00 O ATOM 852 NE2 GLN A 58 8.388 -2.624 -4.102 1.00 0.00 N ATOM 0 H GLN A 58 9.836 -0.170 0.464 1.00 0.00 H new ATOM 0 HA GLN A 58 6.915 -0.154 0.174 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.686 -2.588 -0.279 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.939 -2.624 -0.143 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.605 -1.693 -2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.110 -0.796 -2.202 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.007 -1.764 -4.497 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.821 -3.317 -4.712 1.00 0.00 H new ATOM 861 N ASN A 59 6.718 -1.504 2.387 1.00 0.00 N ATOM 862 CA ASN A 59 6.623 -1.869 3.796 1.00 0.00 C ATOM 863 C ASN A 59 5.720 -3.084 3.983 1.00 0.00 C ATOM 864 O ASN A 59 5.083 -3.549 3.037 1.00 0.00 O ATOM 865 CB ASN A 59 6.089 -0.691 4.614 1.00 0.00 C ATOM 866 CG ASN A 59 7.139 0.379 4.840 1.00 0.00 C ATOM 867 OD1 ASN A 59 6.929 1.548 4.517 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.277 -0.017 5.398 1.00 0.00 N ATOM 0 H ASN A 59 5.847 -1.602 1.866 1.00 0.00 H new ATOM 0 HA ASN A 59 7.622 -2.124 4.148 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.233 -0.254 4.100 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.731 -1.054 5.577 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.020 0.659 5.575 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.408 -0.997 5.650 1.00 0.00 H new ATOM 875 N ILE A 60 5.669 -3.593 5.209 1.00 0.00 N ATOM 876 CA ILE A 60 4.843 -4.752 5.521 1.00 0.00 C ATOM 877 C ILE A 60 4.256 -4.648 6.925 1.00 0.00 C ATOM 878 O ILE A 60 4.945 -4.266 7.872 1.00 0.00 O ATOM 879 CB ILE A 60 5.645 -6.062 5.409 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.281 -6.179 4.022 1.00 0.00 C ATOM 881 CG2 ILE A 60 4.748 -7.259 5.688 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.251 -7.333 3.897 1.00 0.00 C ATOM 0 H ILE A 60 6.190 -3.221 6.003 1.00 0.00 H new ATOM 0 HA ILE A 60 4.033 -4.767 4.791 1.00 0.00 H new ATOM 0 HB ILE A 60 6.441 -6.048 6.154 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.493 -6.296 3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.802 -5.250 3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.330 -8.177 5.605 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.338 -7.179 6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.933 -7.279 4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.663 -7.354 2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.060 -7.208 4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.730 -8.269 4.096 1.00 0.00 H new ATOM 894 N THR A 61 2.978 -4.992 7.053 1.00 0.00 N ATOM 895 CA THR A 61 2.298 -4.938 8.341 1.00 0.00 C ATOM 896 C THR A 61 1.148 -5.936 8.398 1.00 0.00 C ATOM 897 O THR A 61 0.491 -6.202 7.390 1.00 0.00 O ATOM 898 CB THR A 61 1.752 -3.526 8.629 1.00 0.00 C ATOM 899 OG1 THR A 61 0.968 -3.540 9.828 1.00 0.00 O ATOM 900 CG2 THR A 61 0.905 -3.026 7.469 1.00 0.00 C ATOM 0 H THR A 61 2.393 -5.311 6.280 1.00 0.00 H new ATOM 0 HA THR A 61 3.037 -5.196 9.100 1.00 0.00 H new ATOM 0 HB THR A 61 2.599 -2.852 8.756 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.626 -2.639 10.006 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.531 -2.028 7.696 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.512 -2.989 6.564 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.064 -3.702 7.314 1.00 0.00 H new ATOM 908 N THR A 62 0.906 -6.488 9.583 1.00 0.00 N ATOM 909 CA THR A 62 -0.165 -7.458 9.771 1.00 0.00 C ATOM 910 C THR A 62 -1.515 -6.765 9.916 1.00 0.00 C ATOM 911 O THR A 62 -2.512 -7.394 10.272 1.00 0.00 O ATOM 912 CB THR A 62 0.084 -8.336 11.012 1.00 0.00 C ATOM 913 OG1 THR A 62 0.595 -7.536 12.084 1.00 0.00 O ATOM 914 CG2 THR A 62 1.065 -9.455 10.695 1.00 0.00 C ATOM 0 H THR A 62 1.438 -6.279 10.428 1.00 0.00 H new ATOM 0 HA THR A 62 -0.178 -8.091 8.884 1.00 0.00 H new ATOM 0 HB THR A 62 -0.865 -8.780 11.312 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.749 -8.101 12.870 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.225 -10.062 11.586 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.660 -10.080 9.899 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.014 -9.026 10.372 1.00 0.00 H new ATOM 922 N ASP A 63 -1.541 -5.466 9.638 1.00 0.00 N ATOM 923 CA ASP A 63 -2.770 -4.688 9.735 1.00 0.00 C ATOM 924 C ASP A 63 -3.200 -4.177 8.364 1.00 0.00 C ATOM 925 O ASP A 63 -2.400 -4.126 7.429 1.00 0.00 O ATOM 926 CB ASP A 63 -2.580 -3.512 10.694 1.00 0.00 C ATOM 927 CG ASP A 63 -2.816 -3.900 12.141 1.00 0.00 C ATOM 928 OD1 ASP A 63 -3.885 -4.476 12.434 1.00 0.00 O ATOM 929 OD2 ASP A 63 -1.932 -3.628 12.979 1.00 0.00 O ATOM 0 H ASP A 63 -0.725 -4.930 9.344 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.553 -5.340 10.122 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.569 -3.119 10.587 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.265 -2.709 10.420 1.00 0.00 H new ATOM 934 N THR A 64 -4.470 -3.800 8.249 1.00 0.00 N ATOM 935 CA THR A 64 -5.008 -3.296 6.992 1.00 0.00 C ATOM 936 C THR A 64 -4.659 -1.825 6.796 1.00 0.00 C ATOM 937 O THR A 64 -5.258 -1.140 5.967 1.00 0.00 O ATOM 938 CB THR A 64 -6.538 -3.462 6.928 1.00 0.00 C ATOM 939 OG1 THR A 64 -7.093 -3.393 8.247 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.912 -4.787 6.283 1.00 0.00 C ATOM 0 H THR A 64 -5.145 -3.834 9.013 1.00 0.00 H new ATOM 0 HA THR A 64 -4.553 -3.884 6.195 1.00 0.00 H new ATOM 0 HB THR A 64 -6.945 -2.654 6.320 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.066 -3.498 8.198 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.997 -4.882 6.249 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.513 -4.824 5.269 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.495 -5.607 6.868 1.00 0.00 H new ATOM 948 N ARG A 65 -3.685 -1.345 7.562 1.00 0.00 N ATOM 949 CA ARG A 65 -3.256 0.045 7.472 1.00 0.00 C ATOM 950 C ARG A 65 -1.743 0.159 7.625 1.00 0.00 C ATOM 951 O ARG A 65 -1.058 -0.832 7.880 1.00 0.00 O ATOM 952 CB ARG A 65 -3.953 0.886 8.544 1.00 0.00 C ATOM 953 CG ARG A 65 -3.587 0.486 9.964 1.00 0.00 C ATOM 954 CD ARG A 65 -3.883 1.605 10.952 1.00 0.00 C ATOM 955 NE ARG A 65 -3.586 1.213 12.327 1.00 0.00 N ATOM 956 CZ ARG A 65 -4.088 1.830 13.391 1.00 0.00 C ATOM 957 NH1 ARG A 65 -4.908 2.861 13.239 1.00 0.00 N ATOM 958 NH2 ARG A 65 -3.771 1.415 14.611 1.00 0.00 N ATOM 0 H ARG A 65 -3.178 -1.899 8.252 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.533 0.421 6.487 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.698 1.935 8.394 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.032 0.799 8.418 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.144 -0.407 10.247 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.529 0.229 10.010 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.295 2.485 10.691 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.933 1.889 10.875 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.959 0.423 12.479 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.155 3.182 12.303 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.292 3.333 14.058 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.141 0.622 14.732 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.157 1.889 15.427 1.00 0.00 H new ATOM 972 N PHE A 66 -1.227 1.374 7.468 1.00 0.00 N ATOM 973 CA PHE A 66 0.206 1.617 7.587 1.00 0.00 C ATOM 974 C PHE A 66 0.509 3.112 7.553 1.00 0.00 C ATOM 975 O PHE A 66 -0.358 3.926 7.235 1.00 0.00 O ATOM 976 CB PHE A 66 0.961 0.907 6.461 1.00 0.00 C ATOM 977 CG PHE A 66 2.451 0.894 6.653 1.00 0.00 C ATOM 978 CD1 PHE A 66 3.043 -0.006 7.523 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.259 1.783 5.962 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.413 -0.021 7.702 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.630 1.773 6.136 1.00 0.00 C ATOM 982 CZ PHE A 66 5.208 0.871 7.008 1.00 0.00 C ATOM 0 H PHE A 66 -1.780 2.205 7.258 1.00 0.00 H new ATOM 0 HA PHE A 66 0.538 1.218 8.546 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.603 -0.120 6.386 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.729 1.395 5.515 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.426 -0.705 8.068 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.812 2.491 5.280 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.862 -0.729 8.383 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.249 2.470 5.591 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.279 0.863 7.147 1.00 0.00 H new ATOM 992 N THR A 67 1.746 3.467 7.885 1.00 0.00 N ATOM 993 CA THR A 67 2.164 4.863 7.895 1.00 0.00 C ATOM 994 C THR A 67 3.563 5.022 7.310 1.00 0.00 C ATOM 995 O THR A 67 4.554 4.633 7.929 1.00 0.00 O ATOM 996 CB THR A 67 2.147 5.444 9.322 1.00 0.00 C ATOM 997 OG1 THR A 67 0.851 5.272 9.905 1.00 0.00 O ATOM 998 CG2 THR A 67 2.511 6.921 9.308 1.00 0.00 C ATOM 0 H THR A 67 2.476 2.806 8.151 1.00 0.00 H new ATOM 0 HA THR A 67 1.451 5.411 7.279 1.00 0.00 H new ATOM 0 HB THR A 67 2.886 4.909 9.918 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.849 5.642 10.812 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.493 7.310 10.326 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.510 7.046 8.890 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.792 7.467 8.698 1.00 0.00 H new ATOM 1006 N LEU A 68 3.637 5.598 6.115 1.00 0.00 N ATOM 1007 CA LEU A 68 4.916 5.810 5.446 1.00 0.00 C ATOM 1008 C LEU A 68 5.811 6.737 6.263 1.00 0.00 C ATOM 1009 O LEU A 68 5.385 7.299 7.273 1.00 0.00 O ATOM 1010 CB LEU A 68 4.693 6.397 4.051 1.00 0.00 C ATOM 1011 CG LEU A 68 4.011 5.478 3.038 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.290 4.020 3.367 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.512 5.742 3.003 1.00 0.00 C ATOM 0 H LEU A 68 2.827 5.926 5.590 1.00 0.00 H new ATOM 0 HA LEU A 68 5.413 4.845 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.094 7.302 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.659 6.697 3.646 1.00 0.00 H new ATOM 0 HG LEU A 68 4.420 5.690 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.796 3.381 2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.365 3.840 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.909 3.792 4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.043 5.079 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.087 5.558 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.332 6.778 2.718 1.00 0.00 H new ATOM 1025 N THR A 69 7.054 6.894 5.819 1.00 0.00 N ATOM 1026 CA THR A 69 8.009 7.753 6.508 1.00 0.00 C ATOM 1027 C THR A 69 9.150 8.159 5.583 1.00 0.00 C ATOM 1028 O THR A 69 9.333 7.577 4.514 1.00 0.00 O ATOM 1029 CB THR A 69 8.594 7.059 7.752 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.347 5.906 7.361 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.488 6.647 8.712 1.00 0.00 C ATOM 0 H THR A 69 7.423 6.437 4.985 1.00 0.00 H new ATOM 0 HA THR A 69 7.464 8.644 6.821 1.00 0.00 H new ATOM 0 HB THR A 69 9.250 7.766 8.260 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.717 5.471 8.158 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.925 6.159 9.583 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.935 7.531 9.031 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.810 5.956 8.211 1.00 0.00 H new ATOM 1039 N GLY A 70 9.917 9.161 6.000 1.00 0.00 N ATOM 1040 CA GLY A 70 11.033 9.627 5.197 1.00 0.00 C ATOM 1041 C GLY A 70 10.594 10.147 3.842 1.00 0.00 C ATOM 1042 O GLY A 70 11.195 9.818 2.818 1.00 0.00 O ATOM 0 H GLY A 70 9.786 9.659 6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.558 10.417 5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.742 8.811 5.057 1.00 0.00 H new ATOM 1046 N LEU A 71 9.543 10.959 3.834 1.00 0.00 N ATOM 1047 CA LEU A 71 9.022 11.524 2.594 1.00 0.00 C ATOM 1048 C LEU A 71 9.159 13.043 2.588 1.00 0.00 C ATOM 1049 O LEU A 71 9.354 13.664 3.633 1.00 0.00 O ATOM 1050 CB LEU A 71 7.556 11.132 2.408 1.00 0.00 C ATOM 1051 CG LEU A 71 7.156 9.754 2.937 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.658 9.694 3.191 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.578 8.665 1.962 1.00 0.00 C ATOM 0 H LEU A 71 9.035 11.241 4.672 1.00 0.00 H new ATOM 0 HA LEU A 71 9.607 11.122 1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.935 11.881 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.322 11.172 1.344 1.00 0.00 H new ATOM 0 HG LEU A 71 7.671 9.586 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.392 8.706 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.383 10.449 3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.123 9.884 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.285 7.691 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.092 8.829 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.660 8.693 1.831 1.00 0.00 H new ATOM 1065 N LYS A 72 9.055 13.637 1.404 1.00 0.00 N ATOM 1066 CA LYS A 72 9.163 15.084 1.261 1.00 0.00 C ATOM 1067 C LYS A 72 7.787 15.740 1.309 1.00 0.00 C ATOM 1068 O LYS A 72 6.813 15.238 0.747 1.00 0.00 O ATOM 1069 CB LYS A 72 9.862 15.436 -0.054 1.00 0.00 C ATOM 1070 CG LYS A 72 10.450 16.836 -0.074 1.00 0.00 C ATOM 1071 CD LYS A 72 11.180 17.116 -1.377 1.00 0.00 C ATOM 1072 CE LYS A 72 10.249 17.716 -2.420 1.00 0.00 C ATOM 1073 NZ LYS A 72 10.983 18.573 -3.392 1.00 0.00 N ATOM 0 H LYS A 72 8.896 13.138 0.529 1.00 0.00 H new ATOM 0 HA LYS A 72 9.756 15.463 2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.658 14.714 -0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.149 15.339 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.654 17.568 0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.139 16.954 0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.009 17.799 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.610 16.191 -1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.739 16.915 -2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.480 18.307 -1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.313 18.963 -4.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.449 19.352 -2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.700 18.003 -3.885 1.00 0.00 H new ATOM 1087 N PRO A 73 7.702 16.890 1.995 1.00 0.00 N ATOM 1088 CA PRO A 73 6.450 17.640 2.130 1.00 0.00 C ATOM 1089 C PRO A 73 6.011 18.277 0.816 1.00 0.00 C ATOM 1090 O PRO A 73 6.842 18.688 0.006 1.00 0.00 O ATOM 1091 CB PRO A 73 6.793 18.720 3.160 1.00 0.00 C ATOM 1092 CG PRO A 73 8.268 18.898 3.044 1.00 0.00 C ATOM 1093 CD PRO A 73 8.822 17.546 2.690 1.00 0.00 C ATOM 0 HA PRO A 73 5.620 16.998 2.425 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.264 19.650 2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.509 18.412 4.166 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.513 19.633 2.277 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.692 19.260 3.980 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.700 17.627 2.050 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.125 16.991 3.578 1.00 0.00 H new ATOM 1101 N ASP A 74 4.701 18.357 0.612 1.00 0.00 N ATOM 1102 CA ASP A 74 4.151 18.946 -0.604 1.00 0.00 C ATOM 1103 C ASP A 74 4.652 18.206 -1.841 1.00 0.00 C ATOM 1104 O ASP A 74 5.060 18.823 -2.825 1.00 0.00 O ATOM 1105 CB ASP A 74 4.526 20.426 -0.694 1.00 0.00 C ATOM 1106 CG ASP A 74 4.004 21.080 -1.958 1.00 0.00 C ATOM 1107 OD1 ASP A 74 2.800 20.926 -2.252 1.00 0.00 O ATOM 1108 OD2 ASP A 74 4.799 21.746 -2.653 1.00 0.00 O ATOM 0 H ASP A 74 4.000 18.022 1.273 1.00 0.00 H new ATOM 0 HA ASP A 74 3.066 18.856 -0.563 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.129 20.952 0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.611 20.526 -0.658 1.00 0.00 H new ATOM 1113 N THR A 75 4.618 16.878 -1.783 1.00 0.00 N ATOM 1114 CA THR A 75 5.070 16.053 -2.897 1.00 0.00 C ATOM 1115 C THR A 75 4.196 14.815 -3.054 1.00 0.00 C ATOM 1116 O THR A 75 3.937 14.097 -2.087 1.00 0.00 O ATOM 1117 CB THR A 75 6.535 15.614 -2.713 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.409 16.731 -2.906 1.00 0.00 O ATOM 1119 CG2 THR A 75 6.895 14.507 -3.691 1.00 0.00 C ATOM 0 H THR A 75 4.282 16.351 -0.977 1.00 0.00 H new ATOM 0 HA THR A 75 4.992 16.665 -3.795 1.00 0.00 H new ATOM 0 HB THR A 75 6.652 15.233 -1.699 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.790 16.696 -3.808 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.934 14.214 -3.542 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.247 13.647 -3.521 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.762 14.866 -4.712 1.00 0.00 H new ATOM 1127 N THR A 76 3.742 14.567 -4.279 1.00 0.00 N ATOM 1128 CA THR A 76 2.896 13.415 -4.562 1.00 0.00 C ATOM 1129 C THR A 76 3.662 12.110 -4.371 1.00 0.00 C ATOM 1130 O THR A 76 4.760 11.940 -4.902 1.00 0.00 O ATOM 1131 CB THR A 76 2.340 13.465 -5.998 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.687 14.719 -6.226 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.362 12.326 -6.240 1.00 0.00 C ATOM 0 H THR A 76 3.947 15.149 -5.091 1.00 0.00 H new ATOM 0 HA THR A 76 2.065 13.452 -3.857 1.00 0.00 H new ATOM 0 HB THR A 76 3.174 13.359 -6.691 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.338 14.744 -7.141 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.983 12.382 -7.260 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.870 11.373 -6.094 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.531 12.405 -5.539 1.00 0.00 H new ATOM 1141 N TYR A 77 3.076 11.192 -3.611 1.00 0.00 N ATOM 1142 CA TYR A 77 3.705 9.903 -3.349 1.00 0.00 C ATOM 1143 C TYR A 77 2.780 8.755 -3.743 1.00 0.00 C ATOM 1144 O TYR A 77 1.775 8.497 -3.080 1.00 0.00 O ATOM 1145 CB TYR A 77 4.080 9.786 -1.871 1.00 0.00 C ATOM 1146 CG TYR A 77 5.450 10.338 -1.548 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.588 9.555 -1.696 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.606 11.642 -1.095 1.00 0.00 C ATOM 1149 CE1 TYR A 77 7.842 10.054 -1.402 1.00 0.00 C ATOM 1150 CE2 TYR A 77 6.856 12.150 -0.800 1.00 0.00 C ATOM 1151 CZ TYR A 77 7.971 11.353 -0.955 1.00 0.00 C ATOM 1152 OH TYR A 77 9.218 11.855 -0.661 1.00 0.00 O ATOM 0 H TYR A 77 2.167 11.316 -3.166 1.00 0.00 H new ATOM 0 HA TYR A 77 4.610 9.840 -3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.336 10.312 -1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.042 8.737 -1.577 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.490 8.538 -2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.735 12.269 -0.971 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.716 9.431 -1.521 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.960 13.166 -0.450 1.00 0.00 H new ATOM 0 HH TYR A 77 9.401 12.631 -1.231 1.00 0.00 H new ATOM 1162 N ASP A 78 3.126 8.070 -4.827 1.00 0.00 N ATOM 1163 CA ASP A 78 2.329 6.948 -5.310 1.00 0.00 C ATOM 1164 C ASP A 78 2.374 5.785 -4.324 1.00 0.00 C ATOM 1165 O ASP A 78 3.329 5.007 -4.310 1.00 0.00 O ATOM 1166 CB ASP A 78 2.831 6.491 -6.680 1.00 0.00 C ATOM 1167 CG ASP A 78 2.138 5.231 -7.160 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.170 4.220 -6.426 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.563 5.255 -8.268 1.00 0.00 O ATOM 0 H ASP A 78 3.953 8.272 -5.388 1.00 0.00 H new ATOM 0 HA ASP A 78 1.296 7.282 -5.403 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.673 7.288 -7.406 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.905 6.314 -6.630 1.00 0.00 H new ATOM 1174 N ILE A 79 1.337 5.674 -3.500 1.00 0.00 N ATOM 1175 CA ILE A 79 1.259 4.606 -2.511 1.00 0.00 C ATOM 1176 C ILE A 79 0.190 3.586 -2.887 1.00 0.00 C ATOM 1177 O ILE A 79 -0.933 3.948 -3.240 1.00 0.00 O ATOM 1178 CB ILE A 79 0.954 5.160 -1.107 1.00 0.00 C ATOM 1179 CG1 ILE A 79 1.902 6.313 -0.773 1.00 0.00 C ATOM 1180 CG2 ILE A 79 1.065 4.056 -0.066 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.294 7.347 0.149 1.00 0.00 C ATOM 0 H ILE A 79 0.540 6.310 -3.498 1.00 0.00 H new ATOM 0 HA ILE A 79 2.234 4.118 -2.496 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.067 5.540 -1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.803 5.910 -0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.210 6.799 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.847 4.463 0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.352 3.264 -0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.076 3.648 -0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.022 8.135 0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.410 7.778 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.012 6.874 1.090 1.00 0.00 H new ATOM 1193 N LYS A 80 0.545 2.308 -2.808 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.384 1.233 -3.136 1.00 0.00 C ATOM 1195 C LYS A 80 -0.317 0.119 -2.096 1.00 0.00 C ATOM 1196 O LYS A 80 0.393 0.231 -1.097 1.00 0.00 O ATOM 1197 CB LYS A 80 -0.074 0.669 -4.524 1.00 0.00 C ATOM 1198 CG LYS A 80 1.412 0.601 -4.835 1.00 0.00 C ATOM 1199 CD LYS A 80 1.687 0.880 -6.303 1.00 0.00 C ATOM 1200 CE LYS A 80 1.115 -0.212 -7.194 1.00 0.00 C ATOM 1201 NZ LYS A 80 -0.244 0.136 -7.695 1.00 0.00 N ATOM 0 H LYS A 80 1.471 1.991 -2.519 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.393 1.646 -3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.500 -0.331 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.566 1.286 -5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.947 1.324 -4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.795 -0.385 -4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.253 1.841 -6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.762 0.957 -6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.782 -0.377 -8.040 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.068 -1.148 -6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.388 -0.290 -8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.961 -0.229 -7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.333 1.170 -7.767 1.00 0.00 H new ATOM 1215 N VAL A 81 -1.059 -0.956 -2.339 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.082 -2.092 -1.425 1.00 0.00 C ATOM 1217 C VAL A 81 -1.441 -3.380 -2.158 1.00 0.00 C ATOM 1218 O VAL A 81 -1.944 -3.348 -3.281 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.085 -1.870 -0.278 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.457 -2.408 -0.657 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.583 -2.520 1.002 1.00 0.00 C ATOM 0 H VAL A 81 -1.653 -1.064 -3.161 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.079 -2.182 -1.008 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.177 -0.798 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.153 -2.242 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.817 -1.891 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.385 -3.476 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.304 -2.353 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.460 -3.591 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.624 -2.082 1.281 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.179 -4.513 -1.514 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.474 -5.813 -2.105 1.00 0.00 C ATOM 1233 C ARG A 82 -1.529 -6.897 -1.032 1.00 0.00 C ATOM 1234 O ARG A 82 -0.645 -6.988 -0.181 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.420 -6.171 -3.154 1.00 0.00 C ATOM 1236 CG ARG A 82 0.980 -6.324 -2.582 1.00 0.00 C ATOM 1237 CD ARG A 82 1.945 -6.887 -3.615 1.00 0.00 C ATOM 1238 NE ARG A 82 3.325 -6.876 -3.138 1.00 0.00 N ATOM 1239 CZ ARG A 82 4.381 -6.897 -3.943 1.00 0.00 C ATOM 1240 NH1 ARG A 82 4.216 -6.929 -5.258 1.00 0.00 N ATOM 1241 NH2 ARG A 82 5.606 -6.885 -3.433 1.00 0.00 N ATOM 0 H ARG A 82 -0.763 -4.557 -0.584 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.450 -5.753 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.707 -7.102 -3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.407 -5.398 -3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.341 -5.356 -2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.950 -6.982 -1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.655 -7.908 -3.863 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.874 -6.304 -4.533 1.00 0.00 H new ATOM 0 HE ARG A 82 3.487 -6.851 -2.131 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.276 -6.938 -5.654 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.029 -6.945 -5.874 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.737 -6.860 -2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.416 -6.901 -4.052 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.574 -7.717 -1.081 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.744 -8.795 -0.115 1.00 0.00 C ATOM 1257 C ALA A 83 -1.790 -9.949 -0.406 1.00 0.00 C ATOM 1258 O ALA A 83 -1.416 -10.182 -1.556 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.185 -9.286 -0.120 1.00 0.00 C ATOM 0 H ALA A 83 -3.315 -7.655 -1.779 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.508 -8.403 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.298 -10.091 0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.850 -8.464 0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.440 -9.655 -1.113 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.399 -10.665 0.641 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.486 -11.794 0.497 1.00 0.00 C ATOM 1267 C TRP A 84 -1.089 -13.061 1.094 1.00 0.00 C ATOM 1268 O TRP A 84 -1.860 -13.002 2.052 1.00 0.00 O ATOM 1269 CB TRP A 84 0.851 -11.484 1.170 1.00 0.00 C ATOM 1270 CG TRP A 84 1.689 -10.505 0.405 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.427 -9.179 0.212 1.00 0.00 C ATOM 1272 CD2 TRP A 84 2.923 -10.775 -0.269 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.424 -8.608 -0.543 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.354 -9.566 -0.850 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.706 -11.920 -0.437 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.531 -9.473 -1.586 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 4.875 -11.826 -1.169 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.279 -10.609 -1.735 1.00 0.00 C ATOM 0 H TRP A 84 -1.699 -10.485 1.599 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.318 -11.961 -0.567 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.664 -11.089 2.168 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.411 -12.411 1.294 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.564 -8.656 0.596 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.465 -7.630 -0.828 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.403 -12.861 -0.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.843 -8.537 -2.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.487 -12.705 -1.307 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.199 -10.567 -2.300 1.00 0.00 H new ATOM 1289 N THR A 85 -0.733 -14.207 0.522 1.00 0.00 N ATOM 1290 CA THR A 85 -1.240 -15.488 0.998 1.00 0.00 C ATOM 1291 C THR A 85 -0.098 -16.424 1.378 1.00 0.00 C ATOM 1292 O THR A 85 1.073 -16.104 1.176 1.00 0.00 O ATOM 1293 CB THR A 85 -2.119 -16.174 -0.065 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.350 -16.431 -1.246 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.320 -15.308 -0.415 1.00 0.00 C ATOM 0 H THR A 85 -0.096 -14.274 -0.271 1.00 0.00 H new ATOM 0 HA THR A 85 -1.845 -15.281 1.880 1.00 0.00 H new ATOM 0 HB THR A 85 -2.478 -17.117 0.347 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.916 -16.869 -1.916 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.926 -15.813 -1.167 1.00 0.00 H new ATOM 0 HG22 THR A 85 -3.919 -15.138 0.480 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.976 -14.351 -0.808 1.00 0.00 H new ATOM 1303 N SER A 86 -0.447 -17.583 1.928 1.00 0.00 N ATOM 1304 CA SER A 86 0.549 -18.564 2.340 1.00 0.00 C ATOM 1305 C SER A 86 1.346 -19.065 1.139 1.00 0.00 C ATOM 1306 O SER A 86 2.436 -19.619 1.289 1.00 0.00 O ATOM 1307 CB SER A 86 -0.126 -19.742 3.045 1.00 0.00 C ATOM 1308 OG SER A 86 -0.812 -20.567 2.118 1.00 0.00 O ATOM 0 H SER A 86 -1.412 -17.865 2.098 1.00 0.00 H new ATOM 0 HA SER A 86 1.236 -18.079 3.034 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.623 -20.330 3.575 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.826 -19.370 3.793 1.00 0.00 H new ATOM 0 HG SER A 86 -1.233 -21.313 2.593 1.00 0.00 H new ATOM 1314 N LYS A 87 0.795 -18.866 -0.054 1.00 0.00 N ATOM 1315 CA LYS A 87 1.454 -19.294 -1.282 1.00 0.00 C ATOM 1316 C LYS A 87 2.439 -18.237 -1.769 1.00 0.00 C ATOM 1317 O LYS A 87 3.607 -18.532 -2.020 1.00 0.00 O ATOM 1318 CB LYS A 87 0.414 -19.577 -2.370 1.00 0.00 C ATOM 1319 CG LYS A 87 -0.368 -20.859 -2.144 1.00 0.00 C ATOM 1320 CD LYS A 87 -1.629 -20.608 -1.335 1.00 0.00 C ATOM 1321 CE LYS A 87 -2.640 -21.730 -1.514 1.00 0.00 C ATOM 1322 NZ LYS A 87 -3.631 -21.767 -0.403 1.00 0.00 N ATOM 0 H LYS A 87 -0.107 -18.411 -0.196 1.00 0.00 H new ATOM 0 HA LYS A 87 2.007 -20.209 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.283 -18.740 -2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.917 -19.633 -3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.633 -21.299 -3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.260 -21.583 -1.625 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.372 -20.513 -0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.076 -19.662 -1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.162 -21.600 -2.462 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.117 -22.685 -1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.302 -22.545 -0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.136 -21.916 0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.148 -20.865 -0.369 1.00 0.00 H new ATOM 1336 N GLY A 88 1.961 -17.003 -1.899 1.00 0.00 N ATOM 1337 CA GLY A 88 2.814 -15.921 -2.353 1.00 0.00 C ATOM 1338 C GLY A 88 2.095 -14.586 -2.376 1.00 0.00 C ATOM 1339 O GLY A 88 1.354 -14.257 -1.450 1.00 0.00 O ATOM 0 H GLY A 88 0.998 -16.734 -1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.684 -15.850 -1.700 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.183 -16.149 -3.353 1.00 0.00 H new ATOM 1343 N SER A 89 2.315 -13.816 -3.437 1.00 0.00 N ATOM 1344 CA SER A 89 1.687 -12.507 -3.574 1.00 0.00 C ATOM 1345 C SER A 89 0.695 -12.499 -4.733 1.00 0.00 C ATOM 1346 O SER A 89 0.605 -13.462 -5.494 1.00 0.00 O ATOM 1347 CB SER A 89 2.749 -11.428 -3.789 1.00 0.00 C ATOM 1348 OG SER A 89 2.153 -10.166 -4.033 1.00 0.00 O ATOM 0 H SER A 89 2.923 -14.076 -4.214 1.00 0.00 H new ATOM 0 HA SER A 89 1.145 -12.294 -2.653 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.392 -11.366 -2.911 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.385 -11.702 -4.631 1.00 0.00 H new ATOM 0 HG SER A 89 2.740 -9.633 -4.609 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.047 -11.403 -4.862 1.00 0.00 N ATOM 1355 CA GLY A 90 -1.022 -11.289 -5.930 1.00 0.00 C ATOM 1356 C GLY A 90 -0.913 -9.975 -6.677 1.00 0.00 C ATOM 1357 O GLY A 90 0.180 -9.462 -6.917 1.00 0.00 O ATOM 0 H GLY A 90 0.010 -10.592 -4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.887 -12.114 -6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.025 -11.385 -5.514 1.00 0.00 H new ATOM 1361 N PRO A 91 -2.067 -9.409 -7.059 1.00 0.00 N ATOM 1362 CA PRO A 91 -2.123 -8.139 -7.790 1.00 0.00 C ATOM 1363 C PRO A 91 -1.715 -6.953 -6.923 1.00 0.00 C ATOM 1364 O PRO A 91 -1.496 -7.097 -5.720 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.595 -8.026 -8.193 1.00 0.00 C ATOM 1366 CG PRO A 91 -4.329 -8.836 -7.181 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.407 -9.965 -6.807 1.00 0.00 C ATOM 0 HA PRO A 91 -1.434 -8.124 -8.634 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.928 -6.988 -8.187 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.760 -8.408 -9.201 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.583 -8.234 -6.309 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.265 -9.216 -7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.531 -10.257 -5.764 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.594 -10.853 -7.411 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.616 -5.782 -7.541 1.00 0.00 N ATOM 1376 CA LEU A 92 -1.234 -4.569 -6.825 1.00 0.00 C ATOM 1377 C LEU A 92 -2.337 -3.518 -6.909 1.00 0.00 C ATOM 1378 O LEU A 92 -2.691 -3.060 -7.996 1.00 0.00 O ATOM 1379 CB LEU A 92 0.068 -4.005 -7.395 1.00 0.00 C ATOM 1380 CG LEU A 92 1.357 -4.482 -6.725 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.545 -4.292 -7.655 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.581 -3.744 -5.413 1.00 0.00 C ATOM 0 H LEU A 92 -1.795 -5.646 -8.536 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.082 -4.827 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.117 -4.259 -8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.029 -2.918 -7.329 1.00 0.00 H new ATOM 0 HG LEU A 92 1.258 -5.546 -6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.453 -4.637 -7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.388 -4.867 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.647 -3.236 -7.904 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.503 -4.096 -4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.658 -2.674 -5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.743 -3.932 -4.742 1.00 0.00 H new ATOM 1394 N SER A 93 -2.874 -3.138 -5.754 1.00 0.00 N ATOM 1395 CA SER A 93 -3.938 -2.142 -5.697 1.00 0.00 C ATOM 1396 C SER A 93 -3.528 -0.867 -6.428 1.00 0.00 C ATOM 1397 O SER A 93 -2.345 -0.556 -6.570 1.00 0.00 O ATOM 1398 CB SER A 93 -4.285 -1.820 -4.242 1.00 0.00 C ATOM 1399 OG SER A 93 -3.413 -0.835 -3.715 1.00 0.00 O ATOM 0 H SER A 93 -2.590 -3.504 -4.845 1.00 0.00 H new ATOM 0 HA SER A 93 -4.817 -2.556 -6.190 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.315 -1.469 -4.180 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.220 -2.727 -3.640 1.00 0.00 H new ATOM 0 HG SER A 93 -3.633 0.038 -4.103 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.528 -0.111 -6.903 1.00 0.00 N ATOM 1406 CA PRO A 94 -4.298 1.142 -7.628 1.00 0.00 C ATOM 1407 C PRO A 94 -3.764 2.246 -6.721 1.00 0.00 C ATOM 1408 O PRO A 94 -4.463 2.718 -5.824 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.688 1.508 -8.154 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.636 0.848 -7.213 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.962 -0.422 -6.770 1.00 0.00 C ATOM 0 HA PRO A 94 -3.548 1.029 -8.410 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.833 2.588 -8.169 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.831 1.152 -9.174 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.853 1.493 -6.361 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.587 0.635 -7.702 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.224 -0.679 -5.744 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.249 -1.268 -7.394 1.00 0.00 H new ATOM 1419 N SER A 95 -2.522 2.653 -6.961 1.00 0.00 N ATOM 1420 CA SER A 95 -1.893 3.699 -6.163 1.00 0.00 C ATOM 1421 C SER A 95 -2.861 4.854 -5.922 1.00 0.00 C ATOM 1422 O SER A 95 -3.879 4.977 -6.603 1.00 0.00 O ATOM 1423 CB SER A 95 -0.632 4.213 -6.860 1.00 0.00 C ATOM 1424 OG SER A 95 -0.952 5.178 -7.847 1.00 0.00 O ATOM 0 H SER A 95 -1.931 2.275 -7.701 1.00 0.00 H new ATOM 0 HA SER A 95 -1.618 3.271 -5.199 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.041 4.651 -6.123 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.102 3.379 -7.320 1.00 0.00 H new ATOM 0 HG SER A 95 -0.147 5.402 -8.358 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.534 5.698 -4.949 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.373 6.843 -4.618 1.00 0.00 C ATOM 1432 C ILE A 96 -2.637 8.155 -4.871 1.00 0.00 C ATOM 1433 O ILE A 96 -3.254 9.174 -5.178 1.00 0.00 O ATOM 1434 CB ILE A 96 -3.831 6.800 -3.148 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.648 6.482 -2.232 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -4.938 5.771 -2.969 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -2.999 6.509 -0.761 1.00 0.00 C ATOM 0 H ILE A 96 -1.694 5.610 -4.376 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.249 6.789 -5.264 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.224 7.780 -2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.257 5.497 -2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.850 7.200 -2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.252 5.752 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.787 6.037 -3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.569 4.786 -3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.113 6.275 -0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.362 7.501 -0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.775 5.771 -0.559 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.315 8.119 -4.740 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.494 9.306 -4.956 1.00 0.00 C ATOM 1451 C GLN A 97 -0.844 10.399 -3.952 1.00 0.00 C ATOM 1452 O GLN A 97 -1.036 11.557 -4.322 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.680 9.827 -6.381 1.00 0.00 C ATOM 1454 CG GLN A 97 0.306 9.238 -7.378 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.303 9.039 -8.752 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.373 7.788 -9.193 1.00 0.00 O flip ATOM 1457 NE2 GLN A 97 -0.705 9.998 -9.411 1.00 0.00 N flip ATOM 0 H GLN A 97 -0.790 7.283 -4.486 1.00 0.00 H new ATOM 0 HA GLN A 97 0.550 9.027 -4.812 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.695 9.604 -6.711 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.577 10.912 -6.379 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.171 9.896 -7.460 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.668 8.281 -7.003 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.632 10.943 -9.034 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -1.111 9.848 -10.334 1.00 0.00 H new ATOM 1466 N SER A 98 -0.927 10.023 -2.679 1.00 0.00 N ATOM 1467 CA SER A 98 -1.258 10.971 -1.622 1.00 0.00 C ATOM 1468 C SER A 98 -0.111 11.951 -1.392 1.00 0.00 C ATOM 1469 O SER A 98 0.928 11.589 -0.840 1.00 0.00 O ATOM 1470 CB SER A 98 -1.577 10.229 -0.323 1.00 0.00 C ATOM 1471 OG SER A 98 -2.505 10.954 0.464 1.00 0.00 O ATOM 0 H SER A 98 -0.770 9.069 -2.355 1.00 0.00 H new ATOM 0 HA SER A 98 -2.137 11.534 -1.936 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.983 9.244 -0.554 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.660 10.071 0.244 1.00 0.00 H new ATOM 0 HG SER A 98 -3.310 10.413 0.602 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.308 13.194 -1.820 1.00 0.00 N ATOM 1478 CA ARG A 99 0.709 14.227 -1.663 1.00 0.00 C ATOM 1479 C ARG A 99 0.796 14.687 -0.210 1.00 0.00 C ATOM 1480 O ARG A 99 -0.122 15.325 0.307 1.00 0.00 O ATOM 1481 CB ARG A 99 0.400 15.419 -2.569 1.00 0.00 C ATOM 1482 CG ARG A 99 1.362 16.583 -2.395 1.00 0.00 C ATOM 1483 CD ARG A 99 1.096 17.683 -3.410 1.00 0.00 C ATOM 1484 NE ARG A 99 -0.027 18.530 -3.017 1.00 0.00 N ATOM 1485 CZ ARG A 99 -1.296 18.235 -3.276 1.00 0.00 C ATOM 1486 NH1 ARG A 99 -1.601 17.120 -3.925 1.00 0.00 N ATOM 1487 NH2 ARG A 99 -2.262 19.056 -2.886 1.00 0.00 N ATOM 0 H ARG A 99 -1.163 13.510 -2.278 1.00 0.00 H new ATOM 0 HA ARG A 99 1.671 13.802 -1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.425 15.091 -3.608 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.614 15.764 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.268 16.986 -1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.387 16.228 -2.502 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.990 18.296 -3.523 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.890 17.237 -4.383 1.00 0.00 H new ATOM 0 HE ARG A 99 0.174 19.396 -2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.861 16.487 -4.227 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.576 16.895 -4.123 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.031 19.915 -2.387 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.236 18.829 -3.085 1.00 0.00 H new ATOM 1501 N THR A 100 1.906 14.359 0.444 1.00 0.00 N ATOM 1502 CA THR A 100 2.112 14.737 1.836 1.00 0.00 C ATOM 1503 C THR A 100 1.640 16.163 2.095 1.00 0.00 C ATOM 1504 O THR A 100 1.599 16.988 1.183 1.00 0.00 O ATOM 1505 CB THR A 100 3.595 14.619 2.236 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.425 15.179 1.212 1.00 0.00 O ATOM 1507 CG2 THR A 100 3.979 13.165 2.468 1.00 0.00 C ATOM 0 H THR A 100 2.676 13.832 0.032 1.00 0.00 H new ATOM 0 HA THR A 100 1.523 14.047 2.441 1.00 0.00 H new ATOM 0 HB THR A 100 3.743 15.170 3.165 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.357 14.917 1.366 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.030 13.107 2.749 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.366 12.750 3.268 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.816 12.595 1.553 1.00 0.00 H new ATOM 1515 N MET A 101 1.284 16.446 3.343 1.00 0.00 N ATOM 1516 CA MET A 101 0.816 17.774 3.722 1.00 0.00 C ATOM 1517 C MET A 101 1.933 18.804 3.584 1.00 0.00 C ATOM 1518 O MET A 101 3.087 18.553 3.932 1.00 0.00 O ATOM 1519 CB MET A 101 0.291 17.763 5.159 1.00 0.00 C ATOM 1520 CG MET A 101 1.344 18.124 6.193 1.00 0.00 C ATOM 1521 SD MET A 101 0.661 18.280 7.855 1.00 0.00 S ATOM 1522 CE MET A 101 -0.459 16.883 7.894 1.00 0.00 C ATOM 0 H MET A 101 1.311 15.774 4.110 1.00 0.00 H new ATOM 0 HA MET A 101 0.005 18.051 3.049 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.540 18.464 5.239 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.104 16.773 5.385 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.123 17.361 6.195 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.819 19.063 5.910 1.00 0.00 H new ATOM 0 HE1 MET A 101 -0.559 16.525 8.919 1.00 0.00 H new ATOM 0 HE2 MET A 101 -1.436 17.189 7.519 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.065 16.083 7.267 1.00 0.00 H new ATOM 1532 N PRO A 102 1.584 19.990 3.065 1.00 0.00 N ATOM 1533 CA PRO A 102 2.544 21.081 2.870 1.00 0.00 C ATOM 1534 C PRO A 102 3.011 21.686 4.190 1.00 0.00 C ATOM 1535 O PRO A 102 2.329 22.528 4.774 1.00 0.00 O ATOM 1536 CB PRO A 102 1.750 22.111 2.062 1.00 0.00 C ATOM 1537 CG PRO A 102 0.325 21.841 2.400 1.00 0.00 C ATOM 1538 CD PRO A 102 0.227 20.359 2.629 1.00 0.00 C ATOM 0 HA PRO A 102 3.454 20.740 2.376 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.034 23.129 2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.931 22.000 0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.024 22.394 3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.334 22.155 1.591 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.518 20.118 3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.061 19.830 1.720 1.00 0.00 H new ATOM 1546 N VAL A 103 4.177 21.250 4.655 1.00 0.00 N ATOM 1547 CA VAL A 103 4.736 21.749 5.906 1.00 0.00 C ATOM 1548 C VAL A 103 4.645 23.269 5.980 1.00 0.00 C ATOM 1549 O VAL A 103 3.955 23.819 6.839 1.00 0.00 O ATOM 1550 CB VAL A 103 6.208 21.325 6.071 1.00 0.00 C ATOM 1551 CG1 VAL A 103 7.044 21.831 4.906 1.00 0.00 C ATOM 1552 CG2 VAL A 103 6.762 21.832 7.395 1.00 0.00 C ATOM 0 H VAL A 103 4.753 20.552 4.184 1.00 0.00 H new ATOM 0 HA VAL A 103 4.147 21.313 6.713 1.00 0.00 H new ATOM 0 HB VAL A 103 6.256 20.236 6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.080 21.522 5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.659 21.416 3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 103 6.992 22.919 4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.803 21.524 7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.701 22.920 7.422 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.179 21.416 8.217 1.00 0.00 H new