USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 832 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 66 THR OG1 : rot 169:sc= 0.948 USER MOD Set 1.2: A 67 ASN : amide:sc= 1.86 K(o=3.9,f=1.2) USER MOD Set 1.3: A 69 SER OG : rot 95:sc= 0.75 USER MOD Set 1.4: A 89 THR OG1 : rot -150:sc= 0.347 USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 THR OG1 : rot 164:sc= 2.23 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 1.3 (180deg=1.18) USER MOD Single : A 3 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0481) USER MOD Single : A 4 THR OG1 : rot 75:sc= 1.21 USER MOD Single : A 8 ASN : amide:sc= -0.947 K(o=-0.95,f=-0.024) USER MOD Single : A 9 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 11 THR OG1 : rot 34:sc= 0.363 USER MOD Single : A 14 MET CE :methyl -177:sc= -0.853 (180deg=-0.887) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.725 K(o=-0.72,f=-5.6!) USER MOD Single : A 21 SER OG : rot -45:sc= 0.17 USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= 1.51 (180deg=0.181) USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= 1.83 (180deg=1.8) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.017) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= 0.599 K(o=0.6,f=-2.1!) USER MOD Single : A 46 TYR OH : rot 166:sc= 0.745 USER MOD Single : A 48 LYS NZ :NH3+ -145:sc= 0.424 (180deg=0.104) USER MOD Single : A 49 THR OG1 : rot 37:sc= 0.133 USER MOD Single : A 51 ASN : amide:sc= -0.0925 K(o=-0.092,f=-1.4) USER MOD Single : A 65 MET CE :methyl -127:sc= -2.62! (180deg=-6.6!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 48:sc= 0.316 USER MOD Single : A 71 SER OG : rot 124:sc= 1.53 USER MOD Single : A 73 THR OG1 : rot -87:sc= -1.9! USER MOD Single : A 74 ASN : amide:sc= 0.132 K(o=0.13,f=-5.4!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -120:sc= 0.103 USER MOD Single : A 85 TYR OH : rot 30:sc= 1.28 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0.36 X(o=0.36,f=-0.084) USER MOD Single : A 97 SER OG : rot -39:sc= 0.585 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.0185 X(o=-0.019,f=-0.00069) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.886 3.121 6.103 1.00 0.00 N ATOM 2 CA MET A 1 7.852 4.178 6.045 1.00 0.00 C ATOM 3 C MET A 1 7.199 4.203 4.671 1.00 0.00 C ATOM 4 O MET A 1 5.981 4.114 4.561 1.00 0.00 O ATOM 5 CB MET A 1 8.466 5.546 6.352 1.00 0.00 C ATOM 6 CG MET A 1 7.452 6.681 6.349 1.00 0.00 C ATOM 7 SD MET A 1 8.188 8.288 6.710 1.00 0.00 S ATOM 8 CE MET A 1 6.737 9.338 6.686 1.00 0.00 C ATOM 0 H1 MET A 1 9.300 3.092 7.057 1.00 0.00 H new ATOM 0 H2 MET A 1 8.454 2.200 5.885 1.00 0.00 H new ATOM 0 H3 MET A 1 9.632 3.326 5.408 1.00 0.00 H new ATOM 0 HA MET A 1 7.093 3.956 6.795 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.952 5.507 7.327 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.242 5.760 5.617 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.964 6.722 5.375 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.677 6.469 7.085 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.029 10.367 6.893 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.266 9.285 5.705 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.032 9.001 7.446 1.00 0.00 H new ATOM 20 N VAL A 2 8.028 4.313 3.633 1.00 0.00 N ATOM 21 CA VAL A 2 7.564 4.331 2.244 1.00 0.00 C ATOM 22 C VAL A 2 6.883 5.654 1.887 1.00 0.00 C ATOM 23 O VAL A 2 5.954 6.093 2.559 1.00 0.00 O ATOM 24 CB VAL A 2 6.606 3.155 1.929 1.00 0.00 C ATOM 25 CG1 VAL A 2 6.095 3.235 0.501 1.00 0.00 C ATOM 26 CG2 VAL A 2 7.294 1.823 2.172 1.00 0.00 C ATOM 0 H VAL A 2 9.040 4.392 3.730 1.00 0.00 H new ATOM 0 HA VAL A 2 8.458 4.219 1.631 1.00 0.00 H new ATOM 0 HB VAL A 2 5.751 3.231 2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.425 2.398 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.556 4.172 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.937 3.193 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.604 1.010 1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.171 1.744 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.601 1.757 3.216 1.00 0.00 H new ATOM 36 N LYS A 3 7.378 6.289 0.832 1.00 0.00 N ATOM 37 CA LYS A 3 6.744 7.479 0.286 1.00 0.00 C ATOM 38 C LYS A 3 6.339 7.231 -1.162 1.00 0.00 C ATOM 39 O LYS A 3 5.164 7.316 -1.513 1.00 0.00 O ATOM 40 CB LYS A 3 7.680 8.692 0.378 1.00 0.00 C ATOM 41 CG LYS A 3 7.163 9.911 -0.374 1.00 0.00 C ATOM 42 CD LYS A 3 5.816 10.379 0.157 1.00 0.00 C ATOM 43 CE LYS A 3 5.143 11.343 -0.810 1.00 0.00 C ATOM 44 NZ LYS A 3 5.991 12.526 -1.111 1.00 0.00 N ATOM 0 H LYS A 3 8.220 5.997 0.337 1.00 0.00 H new ATOM 0 HA LYS A 3 5.853 7.697 0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.822 8.954 1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.658 8.418 -0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.887 10.722 -0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.072 9.672 -1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.169 9.517 0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.953 10.866 1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.911 10.820 -1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.196 11.676 -0.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.441 13.216 -1.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.304 12.964 -0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.822 12.227 -1.661 1.00 0.00 H new ATOM 58 N THR A 4 7.317 6.914 -1.998 1.00 0.00 N ATOM 59 CA THR A 4 7.055 6.642 -3.399 1.00 0.00 C ATOM 60 C THR A 4 6.499 5.226 -3.577 1.00 0.00 C ATOM 61 O THR A 4 7.259 4.257 -3.679 1.00 0.00 O ATOM 62 CB THR A 4 8.334 6.801 -4.238 1.00 0.00 C ATOM 63 OG1 THR A 4 9.056 7.971 -3.812 1.00 0.00 O ATOM 64 CG2 THR A 4 8.000 6.925 -5.712 1.00 0.00 C ATOM 0 H THR A 4 8.298 6.839 -1.728 1.00 0.00 H new ATOM 0 HA THR A 4 6.315 7.364 -3.745 1.00 0.00 H new ATOM 0 HB THR A 4 8.951 5.914 -4.092 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.501 7.788 -2.959 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.920 7.036 -6.285 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.473 6.030 -6.042 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.366 7.798 -5.869 1.00 0.00 H new ATOM 72 N LEU A 5 5.175 5.109 -3.587 1.00 0.00 N ATOM 73 CA LEU A 5 4.514 3.819 -3.735 1.00 0.00 C ATOM 74 C LEU A 5 3.670 3.802 -5.004 1.00 0.00 C ATOM 75 O LEU A 5 3.077 4.814 -5.381 1.00 0.00 O ATOM 76 CB LEU A 5 3.628 3.536 -2.517 1.00 0.00 C ATOM 77 CG LEU A 5 2.909 2.184 -2.531 1.00 0.00 C ATOM 78 CD1 LEU A 5 3.914 1.042 -2.466 1.00 0.00 C ATOM 79 CD2 LEU A 5 1.911 2.097 -1.384 1.00 0.00 C ATOM 0 H LEU A 5 4.536 5.898 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 5 5.277 3.044 -3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.244 3.592 -1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.881 4.326 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 5 2.358 2.096 -3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.384 0.090 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.582 1.096 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.497 1.122 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.410 1.129 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.436 2.208 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.171 2.891 -1.484 1.00 0.00 H new ATOM 91 N ARG A 6 3.628 2.658 -5.665 1.00 0.00 N ATOM 92 CA ARG A 6 2.807 2.496 -6.850 1.00 0.00 C ATOM 93 C ARG A 6 2.268 1.069 -6.920 1.00 0.00 C ATOM 94 O ARG A 6 3.005 0.127 -7.214 1.00 0.00 O ATOM 95 CB ARG A 6 3.617 2.834 -8.105 1.00 0.00 C ATOM 96 CG ARG A 6 2.802 2.812 -9.385 1.00 0.00 C ATOM 97 CD ARG A 6 3.616 3.265 -10.585 1.00 0.00 C ATOM 98 NE ARG A 6 4.729 2.364 -10.874 1.00 0.00 N ATOM 99 CZ ARG A 6 5.249 2.191 -12.088 1.00 0.00 C ATOM 100 NH1 ARG A 6 4.771 2.869 -13.125 1.00 0.00 N ATOM 101 NH2 ARG A 6 6.251 1.340 -12.266 1.00 0.00 N ATOM 0 H ARG A 6 4.155 1.826 -5.399 1.00 0.00 H new ATOM 0 HA ARG A 6 1.962 3.182 -6.795 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.060 3.823 -7.985 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.440 2.125 -8.197 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.429 1.803 -9.560 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.932 3.459 -9.272 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.967 3.328 -11.458 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.002 4.268 -10.401 1.00 0.00 H new ATOM 0 HE ARG A 6 5.132 1.836 -10.100 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.002 3.526 -12.994 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.173 2.733 -14.052 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.624 0.818 -11.473 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.649 1.208 -13.196 1.00 0.00 H new ATOM 115 N LEU A 7 0.983 0.916 -6.631 1.00 0.00 N ATOM 116 CA LEU A 7 0.346 -0.394 -6.633 1.00 0.00 C ATOM 117 C LEU A 7 -0.199 -0.715 -8.015 1.00 0.00 C ATOM 118 O LEU A 7 -1.217 -0.162 -8.429 1.00 0.00 O ATOM 119 CB LEU A 7 -0.786 -0.445 -5.603 1.00 0.00 C ATOM 120 CG LEU A 7 -0.359 -0.208 -4.154 1.00 0.00 C ATOM 121 CD1 LEU A 7 -1.551 -0.340 -3.221 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.735 -1.185 -3.755 1.00 0.00 C ATOM 0 H LEU A 7 0.359 1.686 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 7 1.096 -1.138 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.534 0.301 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.271 -1.419 -5.667 1.00 0.00 H new ATOM 0 HG LEU A 7 0.035 0.805 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.230 -0.168 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.308 0.396 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.971 -1.342 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.027 -1.002 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.365 -2.206 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.599 -1.049 -4.405 1.00 0.00 H new ATOM 134 N ASN A 8 0.501 -1.593 -8.723 1.00 0.00 N ATOM 135 CA ASN A 8 0.099 -2.030 -10.058 1.00 0.00 C ATOM 136 C ASN A 8 -0.151 -0.839 -10.981 1.00 0.00 C ATOM 137 O ASN A 8 -1.286 -0.577 -11.380 1.00 0.00 O ATOM 138 CB ASN A 8 -1.150 -2.922 -9.983 1.00 0.00 C ATOM 139 CG ASN A 8 -1.510 -3.565 -11.314 1.00 0.00 C ATOM 140 OD1 ASN A 8 -2.685 -3.807 -11.599 1.00 0.00 O ATOM 141 ND2 ASN A 8 -0.511 -3.865 -12.133 1.00 0.00 N ATOM 0 H ASN A 8 1.364 -2.023 -8.390 1.00 0.00 H new ATOM 0 HA ASN A 8 0.919 -2.613 -10.477 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.986 -3.704 -9.242 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.994 -2.326 -9.635 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.703 -4.310 -13.030 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.450 -3.651 -11.865 1.00 0.00 H new ATOM 148 N ASN A 9 0.917 -0.091 -11.267 1.00 0.00 N ATOM 149 CA ASN A 9 0.872 1.043 -12.202 1.00 0.00 C ATOM 150 C ASN A 9 0.145 2.258 -11.603 1.00 0.00 C ATOM 151 O ASN A 9 0.252 3.373 -12.120 1.00 0.00 O ATOM 152 CB ASN A 9 0.229 0.614 -13.535 1.00 0.00 C ATOM 153 CG ASN A 9 0.153 1.729 -14.564 1.00 0.00 C ATOM 154 OD1 ASN A 9 1.115 1.992 -15.288 1.00 0.00 O ATOM 155 ND2 ASN A 9 -1.000 2.374 -14.655 1.00 0.00 N ATOM 0 H ASN A 9 1.838 -0.251 -10.859 1.00 0.00 H new ATOM 0 HA ASN A 9 1.899 1.353 -12.394 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.799 -0.216 -13.953 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -0.777 0.243 -13.340 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.115 3.118 -15.343 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -1.773 2.127 -14.037 1.00 0.00 H new ATOM 162 N VAL A 10 -0.558 2.058 -10.496 1.00 0.00 N ATOM 163 CA VAL A 10 -1.315 3.132 -9.868 1.00 0.00 C ATOM 164 C VAL A 10 -0.496 3.798 -8.776 1.00 0.00 C ATOM 165 O VAL A 10 -0.175 3.186 -7.756 1.00 0.00 O ATOM 166 CB VAL A 10 -2.641 2.618 -9.273 1.00 0.00 C ATOM 167 CG1 VAL A 10 -3.418 3.748 -8.616 1.00 0.00 C ATOM 168 CG2 VAL A 10 -3.470 1.955 -10.355 1.00 0.00 C ATOM 0 H VAL A 10 -0.620 1.161 -10.014 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.544 3.861 -10.645 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.413 1.881 -8.503 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.349 3.358 -8.204 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.821 4.182 -7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.642 4.515 -9.358 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.405 1.594 -9.927 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.686 2.678 -11.142 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.916 1.116 -10.775 1.00 0.00 H new ATOM 178 N THR A 11 -0.143 5.046 -9.010 1.00 0.00 N ATOM 179 CA THR A 11 0.657 5.805 -8.071 1.00 0.00 C ATOM 180 C THR A 11 -0.147 6.113 -6.812 1.00 0.00 C ATOM 181 O THR A 11 -1.248 6.661 -6.894 1.00 0.00 O ATOM 182 CB THR A 11 1.134 7.113 -8.723 1.00 0.00 C ATOM 183 OG1 THR A 11 -0.001 7.883 -9.138 1.00 0.00 O ATOM 184 CG2 THR A 11 2.008 6.815 -9.929 1.00 0.00 C ATOM 0 H THR A 11 -0.401 5.560 -9.852 1.00 0.00 H new ATOM 0 HA THR A 11 1.525 5.208 -7.792 1.00 0.00 H new ATOM 0 HB THR A 11 1.716 7.676 -7.994 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.736 7.751 -8.503 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.338 7.751 -10.380 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.877 6.238 -9.615 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.437 6.242 -10.660 1.00 0.00 H new ATOM 192 N LEU A 12 0.396 5.770 -5.654 1.00 0.00 N ATOM 193 CA LEU A 12 -0.347 5.901 -4.413 1.00 0.00 C ATOM 194 C LEU A 12 0.475 6.618 -3.350 1.00 0.00 C ATOM 195 O LEU A 12 1.696 6.474 -3.291 1.00 0.00 O ATOM 196 CB LEU A 12 -0.770 4.521 -3.906 1.00 0.00 C ATOM 197 CG LEU A 12 -1.732 4.534 -2.722 1.00 0.00 C ATOM 198 CD1 LEU A 12 -3.061 5.149 -3.131 1.00 0.00 C ATOM 199 CD2 LEU A 12 -1.930 3.126 -2.188 1.00 0.00 C ATOM 0 H LEU A 12 1.341 5.402 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.236 6.499 -4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.236 3.976 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.124 3.966 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.303 5.143 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.739 5.152 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.899 6.172 -3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.499 4.564 -3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.619 3.151 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.342 2.493 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.971 2.722 -1.863 1.00 0.00 H new ATOM 211 N GLU A 13 -0.211 7.390 -2.523 1.00 0.00 N ATOM 212 CA GLU A 13 0.413 8.085 -1.409 1.00 0.00 C ATOM 213 C GLU A 13 -0.340 7.763 -0.123 1.00 0.00 C ATOM 214 O GLU A 13 -1.490 7.325 -0.166 1.00 0.00 O ATOM 215 CB GLU A 13 0.443 9.595 -1.668 1.00 0.00 C ATOM 216 CG GLU A 13 1.413 9.989 -2.772 1.00 0.00 C ATOM 217 CD GLU A 13 1.297 11.442 -3.175 1.00 0.00 C ATOM 218 OE1 GLU A 13 1.723 12.319 -2.401 1.00 0.00 O ATOM 219 OE2 GLU A 13 0.790 11.712 -4.285 1.00 0.00 O ATOM 0 H GLU A 13 -1.215 7.552 -2.605 1.00 0.00 H new ATOM 0 HA GLU A 13 1.444 7.747 -1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.559 9.932 -1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.719 10.111 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.432 9.791 -2.440 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.235 9.361 -3.645 1.00 0.00 H new ATOM 226 N MET A 14 0.303 7.983 1.011 1.00 0.00 N ATOM 227 CA MET A 14 -0.228 7.554 2.291 1.00 0.00 C ATOM 228 C MET A 14 -0.039 8.637 3.331 1.00 0.00 C ATOM 229 O MET A 14 0.628 9.642 3.086 1.00 0.00 O ATOM 230 CB MET A 14 0.472 6.270 2.768 1.00 0.00 C ATOM 231 CG MET A 14 1.970 6.420 3.024 1.00 0.00 C ATOM 232 SD MET A 14 2.920 6.852 1.551 1.00 0.00 S ATOM 233 CE MET A 14 2.593 5.429 0.514 1.00 0.00 C ATOM 0 H MET A 14 1.202 8.461 1.069 1.00 0.00 H new ATOM 0 HA MET A 14 -1.292 7.355 2.162 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.008 5.930 3.686 1.00 0.00 H new ATOM 0 HB3 MET A 14 0.321 5.490 2.021 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.125 7.187 3.783 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.355 5.486 3.432 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.155 5.519 -0.416 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.897 4.521 1.035 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.527 5.379 0.290 1.00 0.00 H new ATOM 243 N ALA A 15 -0.629 8.421 4.486 1.00 0.00 N ATOM 244 CA ALA A 15 -0.450 9.311 5.613 1.00 0.00 C ATOM 245 C ALA A 15 0.133 8.532 6.782 1.00 0.00 C ATOM 246 O ALA A 15 1.174 8.896 7.331 1.00 0.00 O ATOM 247 CB ALA A 15 -1.771 9.959 5.986 1.00 0.00 C ATOM 0 H ALA A 15 -1.243 7.628 4.671 1.00 0.00 H new ATOM 0 HA ALA A 15 0.244 10.107 5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.622 10.626 6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.148 10.530 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.492 9.187 6.253 1.00 0.00 H new ATOM 253 N ALA A 16 -0.533 7.439 7.138 1.00 0.00 N ATOM 254 CA ALA A 16 -0.031 6.537 8.160 1.00 0.00 C ATOM 255 C ALA A 16 0.227 5.156 7.567 1.00 0.00 C ATOM 256 O ALA A 16 -0.633 4.276 7.601 1.00 0.00 O ATOM 257 CB ALA A 16 -0.996 6.457 9.333 1.00 0.00 C ATOM 0 H ALA A 16 -1.425 7.158 6.730 1.00 0.00 H new ATOM 0 HA ALA A 16 0.914 6.930 8.534 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.599 5.776 10.085 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.120 7.448 9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.962 6.090 8.985 1.00 0.00 H new ATOM 263 N TYR A 17 1.393 5.000 6.962 1.00 0.00 N ATOM 264 CA TYR A 17 1.811 3.725 6.394 1.00 0.00 C ATOM 265 C TYR A 17 2.462 2.856 7.472 1.00 0.00 C ATOM 266 O TYR A 17 3.656 2.980 7.740 1.00 0.00 O ATOM 267 CB TYR A 17 2.801 3.982 5.254 1.00 0.00 C ATOM 268 CG TYR A 17 3.050 2.809 4.331 1.00 0.00 C ATOM 269 CD1 TYR A 17 3.876 1.756 4.705 1.00 0.00 C ATOM 270 CD2 TYR A 17 2.482 2.778 3.067 1.00 0.00 C ATOM 271 CE1 TYR A 17 4.127 0.705 3.843 1.00 0.00 C ATOM 272 CE2 TYR A 17 2.723 1.731 2.201 1.00 0.00 C ATOM 273 CZ TYR A 17 3.545 0.698 2.591 1.00 0.00 C ATOM 274 OH TYR A 17 3.794 -0.340 1.723 1.00 0.00 O ATOM 0 H TYR A 17 2.076 5.750 6.850 1.00 0.00 H new ATOM 0 HA TYR A 17 0.940 3.198 6.005 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.434 4.819 4.659 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.753 4.291 5.686 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.329 1.759 5.685 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.839 3.588 2.754 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.774 -0.105 4.147 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.269 1.722 1.221 1.00 0.00 H new ATOM 0 HH TYR A 17 3.306 -0.191 0.886 1.00 0.00 H new ATOM 284 N GLN A 18 1.678 1.998 8.102 1.00 0.00 N ATOM 285 CA GLN A 18 2.191 1.143 9.163 1.00 0.00 C ATOM 286 C GLN A 18 2.617 -0.199 8.578 1.00 0.00 C ATOM 287 O GLN A 18 1.794 -0.950 8.062 1.00 0.00 O ATOM 288 CB GLN A 18 1.122 0.953 10.250 1.00 0.00 C ATOM 289 CG GLN A 18 1.658 0.429 11.578 1.00 0.00 C ATOM 290 CD GLN A 18 1.972 -1.056 11.567 1.00 0.00 C ATOM 291 OE1 GLN A 18 1.317 -1.840 10.884 1.00 0.00 O ATOM 292 NE2 GLN A 18 2.989 -1.449 12.315 1.00 0.00 N ATOM 0 H GLN A 18 0.686 1.874 7.899 1.00 0.00 H new ATOM 0 HA GLN A 18 3.061 1.614 9.621 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.625 1.907 10.424 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.364 0.262 9.880 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.562 0.980 11.838 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.926 0.631 12.360 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.508 -0.767 12.868 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.254 -2.434 12.339 1.00 0.00 H new ATOM 301 N GLU A 19 3.904 -0.492 8.638 1.00 0.00 N ATOM 302 CA GLU A 19 4.413 -1.732 8.078 1.00 0.00 C ATOM 303 C GLU A 19 4.841 -2.708 9.175 1.00 0.00 C ATOM 304 O GLU A 19 5.682 -2.394 10.018 1.00 0.00 O ATOM 305 CB GLU A 19 5.575 -1.453 7.112 1.00 0.00 C ATOM 306 CG GLU A 19 6.695 -0.608 7.709 1.00 0.00 C ATOM 307 CD GLU A 19 7.854 -0.398 6.752 1.00 0.00 C ATOM 308 OE1 GLU A 19 8.743 -1.279 6.679 1.00 0.00 O ATOM 309 OE2 GLU A 19 7.893 0.654 6.076 1.00 0.00 O ATOM 0 H GLU A 19 4.611 0.106 9.065 1.00 0.00 H new ATOM 0 HA GLU A 19 3.604 -2.201 7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.991 -2.403 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.185 -0.947 6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.294 0.362 8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.062 -1.089 8.615 1.00 0.00 H new ATOM 316 N GLU A 20 4.230 -3.885 9.172 1.00 0.00 N ATOM 317 CA GLU A 20 4.644 -4.975 10.038 1.00 0.00 C ATOM 318 C GLU A 20 5.593 -5.878 9.267 1.00 0.00 C ATOM 319 O GLU A 20 5.163 -6.641 8.404 1.00 0.00 O ATOM 320 CB GLU A 20 3.434 -5.779 10.525 1.00 0.00 C ATOM 321 CG GLU A 20 2.515 -5.010 11.458 1.00 0.00 C ATOM 322 CD GLU A 20 1.299 -5.814 11.874 1.00 0.00 C ATOM 323 OE1 GLU A 20 1.439 -6.730 12.712 1.00 0.00 O ATOM 324 OE2 GLU A 20 0.193 -5.530 11.374 1.00 0.00 O ATOM 0 H GLU A 20 3.437 -4.108 8.571 1.00 0.00 H new ATOM 0 HA GLU A 20 5.146 -4.564 10.914 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.860 -6.112 9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.788 -6.674 11.037 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.072 -4.714 12.347 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.189 -4.093 10.966 1.00 0.00 H new ATOM 331 N SER A 21 6.878 -5.770 9.555 1.00 0.00 N ATOM 332 CA SER A 21 7.891 -6.484 8.797 1.00 0.00 C ATOM 333 C SER A 21 8.498 -7.611 9.630 1.00 0.00 C ATOM 334 O SER A 21 9.462 -8.253 9.209 1.00 0.00 O ATOM 335 CB SER A 21 8.981 -5.501 8.356 1.00 0.00 C ATOM 336 OG SER A 21 9.792 -6.044 7.326 1.00 0.00 O ATOM 0 H SER A 21 7.246 -5.193 10.311 1.00 0.00 H new ATOM 0 HA SER A 21 7.427 -6.930 7.917 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.519 -4.578 8.007 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.605 -5.241 9.211 1.00 0.00 H new ATOM 0 HG SER A 21 10.031 -6.967 7.551 1.00 0.00 H new ATOM 342 N GLU A 22 7.935 -7.855 10.806 1.00 0.00 N ATOM 343 CA GLU A 22 8.469 -8.883 11.690 1.00 0.00 C ATOM 344 C GLU A 22 7.799 -10.212 11.530 1.00 0.00 C ATOM 345 O GLU A 22 8.450 -11.178 11.143 1.00 0.00 O ATOM 346 CB GLU A 22 8.425 -8.450 13.150 1.00 0.00 C ATOM 347 CG GLU A 22 9.366 -7.318 13.473 1.00 0.00 C ATOM 348 CD GLU A 22 10.824 -7.725 13.401 1.00 0.00 C ATOM 349 OE1 GLU A 22 11.260 -8.545 14.239 1.00 0.00 O ATOM 350 OE2 GLU A 22 11.548 -7.221 12.518 1.00 0.00 O ATOM 0 H GLU A 22 7.118 -7.362 11.167 1.00 0.00 H new ATOM 0 HA GLU A 22 9.509 -9.009 11.388 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.408 -8.148 13.400 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.668 -9.305 13.781 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.189 -6.496 12.780 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.147 -6.944 14.473 1.00 0.00 H new ATOM 357 N PRO A 23 6.510 -10.321 11.813 1.00 0.00 N ATOM 358 CA PRO A 23 5.885 -11.618 11.804 1.00 0.00 C ATOM 359 C PRO A 23 5.670 -12.101 10.381 1.00 0.00 C ATOM 360 O PRO A 23 5.352 -13.265 10.130 1.00 0.00 O ATOM 361 CB PRO A 23 4.575 -11.363 12.522 1.00 0.00 C ATOM 362 CG PRO A 23 4.236 -9.952 12.202 1.00 0.00 C ATOM 363 CD PRO A 23 5.553 -9.235 12.127 1.00 0.00 C ATOM 0 HA PRO A 23 6.479 -12.398 12.279 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.797 -12.045 12.179 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.678 -11.511 13.597 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.696 -9.882 11.258 1.00 0.00 H new ATOM 0 HG3 PRO A 23 3.595 -9.518 12.969 1.00 0.00 H new ATOM 0 HD2 PRO A 23 5.549 -8.465 11.355 1.00 0.00 H new ATOM 0 HD3 PRO A 23 5.798 -8.742 13.068 1.00 0.00 H new ATOM 371 N LYS A 24 5.864 -11.168 9.464 1.00 0.00 N ATOM 372 CA LYS A 24 5.677 -11.391 8.043 1.00 0.00 C ATOM 373 C LYS A 24 5.945 -10.069 7.346 1.00 0.00 C ATOM 374 O LYS A 24 6.499 -9.160 7.957 1.00 0.00 O ATOM 375 CB LYS A 24 4.255 -11.879 7.737 1.00 0.00 C ATOM 376 CG LYS A 24 4.169 -12.764 6.502 1.00 0.00 C ATOM 377 CD LYS A 24 2.741 -13.187 6.201 1.00 0.00 C ATOM 378 CE LYS A 24 2.702 -14.254 5.112 1.00 0.00 C ATOM 379 NZ LYS A 24 1.316 -14.546 4.656 1.00 0.00 N ATOM 0 H LYS A 24 6.161 -10.219 9.692 1.00 0.00 H new ATOM 0 HA LYS A 24 6.358 -12.165 7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.876 -12.431 8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.604 -11.015 7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.577 -12.229 5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.786 -13.650 6.648 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.274 -13.571 7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.160 -12.320 5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.300 -13.924 4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.159 -15.170 5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.293 -15.475 4.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.675 -14.554 5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.010 -13.813 3.985 1.00 0.00 H new ATOM 393 N ARG A 25 5.558 -9.951 6.095 1.00 0.00 N ATOM 394 CA ARG A 25 5.545 -8.658 5.439 1.00 0.00 C ATOM 395 C ARG A 25 4.107 -8.193 5.259 1.00 0.00 C ATOM 396 O ARG A 25 3.395 -8.647 4.366 1.00 0.00 O ATOM 397 CB ARG A 25 6.294 -8.712 4.111 1.00 0.00 C ATOM 398 CG ARG A 25 7.800 -8.769 4.301 1.00 0.00 C ATOM 399 CD ARG A 25 8.537 -8.954 2.990 1.00 0.00 C ATOM 400 NE ARG A 25 8.391 -10.311 2.461 1.00 0.00 N ATOM 401 CZ ARG A 25 9.199 -10.837 1.540 1.00 0.00 C ATOM 402 NH1 ARG A 25 10.211 -10.127 1.058 1.00 0.00 N ATOM 403 NH2 ARG A 25 9.007 -12.085 1.119 1.00 0.00 N ATOM 0 H ARG A 25 5.249 -10.729 5.512 1.00 0.00 H new ATOM 0 HA ARG A 25 6.064 -7.932 6.065 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.968 -9.586 3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.038 -7.835 3.516 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.139 -7.850 4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.049 -9.589 4.974 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.160 -8.238 2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.595 -8.734 3.135 1.00 0.00 H new ATOM 0 HE ARG A 25 7.628 -10.887 2.817 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.372 -9.177 1.392 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.828 -10.531 0.354 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.241 -12.640 1.501 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.626 -12.486 0.414 1.00 0.00 H new ATOM 417 N LYS A 26 3.679 -7.321 6.159 1.00 0.00 N ATOM 418 CA LYS A 26 2.305 -6.843 6.196 1.00 0.00 C ATOM 419 C LYS A 26 2.270 -5.320 6.206 1.00 0.00 C ATOM 420 O LYS A 26 2.647 -4.689 7.189 1.00 0.00 O ATOM 421 CB LYS A 26 1.615 -7.404 7.442 1.00 0.00 C ATOM 422 CG LYS A 26 0.214 -6.869 7.691 1.00 0.00 C ATOM 423 CD LYS A 26 -0.420 -7.563 8.885 1.00 0.00 C ATOM 424 CE LYS A 26 -1.807 -7.023 9.189 1.00 0.00 C ATOM 425 NZ LYS A 26 -1.775 -5.612 9.668 1.00 0.00 N ATOM 0 H LYS A 26 4.275 -6.924 6.885 1.00 0.00 H new ATOM 0 HA LYS A 26 1.778 -7.184 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.564 -8.489 7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.233 -7.183 8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.256 -5.794 7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.402 -7.022 6.805 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.483 -8.634 8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.218 -7.435 9.759 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.423 -7.085 8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.280 -7.650 9.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.747 -5.278 9.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.238 -5.559 10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.318 -5.013 8.952 1.00 0.00 H new ATOM 439 N ILE A 27 1.822 -4.732 5.111 1.00 0.00 N ATOM 440 CA ILE A 27 1.801 -3.285 4.981 1.00 0.00 C ATOM 441 C ILE A 27 0.390 -2.731 5.173 1.00 0.00 C ATOM 442 O ILE A 27 -0.487 -2.908 4.328 1.00 0.00 O ATOM 443 CB ILE A 27 2.373 -2.837 3.619 1.00 0.00 C ATOM 444 CG1 ILE A 27 1.702 -3.599 2.473 1.00 0.00 C ATOM 445 CG2 ILE A 27 3.881 -3.054 3.592 1.00 0.00 C ATOM 446 CD1 ILE A 27 2.120 -3.133 1.096 1.00 0.00 C ATOM 0 H ILE A 27 1.467 -5.235 4.297 1.00 0.00 H new ATOM 0 HA ILE A 27 2.437 -2.880 5.769 1.00 0.00 H new ATOM 0 HB ILE A 27 2.167 -1.775 3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.932 -4.660 2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.621 -3.498 2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.277 -2.736 2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.347 -2.471 4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.099 -4.111 3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.601 -3.722 0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.864 -2.080 0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.196 -3.261 0.980 1.00 0.00 H new ATOM 458 N ALA A 28 0.180 -2.074 6.299 1.00 0.00 N ATOM 459 CA ALA A 28 -1.115 -1.505 6.629 1.00 0.00 C ATOM 460 C ALA A 28 -1.081 0.008 6.506 1.00 0.00 C ATOM 461 O ALA A 28 -0.694 0.709 7.440 1.00 0.00 O ATOM 462 CB ALA A 28 -1.526 -1.910 8.039 1.00 0.00 C ATOM 0 H ALA A 28 0.898 -1.920 7.007 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.851 -1.892 5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.498 -1.477 8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.588 -2.996 8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.786 -1.547 8.752 1.00 0.00 H new ATOM 468 N PHE A 29 -1.468 0.519 5.353 1.00 0.00 N ATOM 469 CA PHE A 29 -1.450 1.953 5.148 1.00 0.00 C ATOM 470 C PHE A 29 -2.827 2.563 5.363 1.00 0.00 C ATOM 471 O PHE A 29 -3.843 2.057 4.874 1.00 0.00 O ATOM 472 CB PHE A 29 -0.885 2.333 3.771 1.00 0.00 C ATOM 473 CG PHE A 29 -1.484 1.603 2.598 1.00 0.00 C ATOM 474 CD1 PHE A 29 -2.596 2.106 1.935 1.00 0.00 C ATOM 475 CD2 PHE A 29 -0.913 0.427 2.139 1.00 0.00 C ATOM 476 CE1 PHE A 29 -3.128 1.444 0.845 1.00 0.00 C ATOM 477 CE2 PHE A 29 -1.438 -0.237 1.047 1.00 0.00 C ATOM 478 CZ PHE A 29 -2.547 0.272 0.399 1.00 0.00 C ATOM 0 H PHE A 29 -1.794 -0.028 4.556 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.778 2.370 5.898 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.029 3.403 3.622 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.190 2.154 3.777 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.050 3.025 2.275 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.046 0.024 2.641 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.997 1.842 0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.982 -1.153 0.700 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.959 -0.245 -0.455 1.00 0.00 H new ATOM 488 N THR A 30 -2.837 3.630 6.144 1.00 0.00 N ATOM 489 CA THR A 30 -4.034 4.397 6.397 1.00 0.00 C ATOM 490 C THR A 30 -4.052 5.623 5.485 1.00 0.00 C ATOM 491 O THR A 30 -3.099 6.415 5.470 1.00 0.00 O ATOM 492 CB THR A 30 -4.084 4.832 7.871 1.00 0.00 C ATOM 493 OG1 THR A 30 -3.740 3.721 8.705 1.00 0.00 O ATOM 494 CG2 THR A 30 -5.464 5.329 8.245 1.00 0.00 C ATOM 0 H THR A 30 -2.008 3.986 6.620 1.00 0.00 H new ATOM 0 HA THR A 30 -4.908 3.780 6.189 1.00 0.00 H new ATOM 0 HB THR A 30 -3.373 5.646 8.014 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.769 3.996 9.645 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.471 5.630 9.293 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.725 6.183 7.620 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.192 4.532 8.092 1.00 0.00 H new ATOM 502 N LEU A 31 -5.123 5.764 4.719 1.00 0.00 N ATOM 503 CA LEU A 31 -5.202 6.789 3.687 1.00 0.00 C ATOM 504 C LEU A 31 -6.338 7.765 3.979 1.00 0.00 C ATOM 505 O LEU A 31 -7.438 7.358 4.333 1.00 0.00 O ATOM 506 CB LEU A 31 -5.389 6.102 2.322 1.00 0.00 C ATOM 507 CG LEU A 31 -5.311 7.005 1.088 1.00 0.00 C ATOM 508 CD1 LEU A 31 -4.952 6.181 -0.137 1.00 0.00 C ATOM 509 CD2 LEU A 31 -6.632 7.723 0.851 1.00 0.00 C ATOM 0 H LEU A 31 -5.955 5.178 4.793 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.279 7.369 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.631 5.324 2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.359 5.604 2.320 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.538 7.753 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.899 6.831 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.986 5.701 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.714 5.418 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.548 8.357 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.423 6.989 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.873 8.338 1.718 1.00 0.00 H new ATOM 521 N ASN A 32 -6.061 9.054 3.828 1.00 0.00 N ATOM 522 CA ASN A 32 -7.061 10.094 4.049 1.00 0.00 C ATOM 523 C ASN A 32 -8.045 10.173 2.888 1.00 0.00 C ATOM 524 O ASN A 32 -7.719 10.717 1.833 1.00 0.00 O ATOM 525 CB ASN A 32 -6.393 11.463 4.206 1.00 0.00 C ATOM 526 CG ASN A 32 -5.644 11.637 5.511 1.00 0.00 C ATOM 527 OD1 ASN A 32 -4.601 12.288 5.548 1.00 0.00 O ATOM 528 ND2 ASN A 32 -6.183 11.109 6.594 1.00 0.00 N ATOM 0 H ASN A 32 -5.145 9.407 3.551 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.596 9.831 4.961 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.700 11.615 3.378 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -7.155 12.239 4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.733 11.235 7.501 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.049 10.575 6.524 1.00 0.00 H new ATOM 535 N VAL A 33 -9.234 9.619 3.066 1.00 0.00 N ATOM 536 CA VAL A 33 -10.294 9.791 2.087 1.00 0.00 C ATOM 537 C VAL A 33 -10.999 11.121 2.328 1.00 0.00 C ATOM 538 O VAL A 33 -11.869 11.234 3.192 1.00 0.00 O ATOM 539 CB VAL A 33 -11.312 8.632 2.102 1.00 0.00 C ATOM 540 CG1 VAL A 33 -12.473 8.913 1.158 1.00 0.00 C ATOM 541 CG2 VAL A 33 -10.621 7.340 1.707 1.00 0.00 C ATOM 0 H VAL A 33 -9.488 9.050 3.874 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.833 9.788 1.099 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.712 8.536 3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.176 8.080 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.980 9.827 1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.095 9.033 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.343 6.523 1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.204 7.442 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.819 7.126 2.413 1.00 0.00 H new ATOM 551 N THR A 34 -10.576 12.139 1.599 1.00 0.00 N ATOM 552 CA THR A 34 -11.115 13.475 1.761 1.00 0.00 C ATOM 553 C THR A 34 -12.102 13.781 0.639 1.00 0.00 C ATOM 554 O THR A 34 -12.503 12.881 -0.093 1.00 0.00 O ATOM 555 CB THR A 34 -9.983 14.522 1.766 1.00 0.00 C ATOM 556 OG1 THR A 34 -9.212 14.412 0.560 1.00 0.00 O ATOM 557 CG2 THR A 34 -9.076 14.334 2.979 1.00 0.00 C ATOM 0 H THR A 34 -9.854 12.062 0.883 1.00 0.00 H new ATOM 0 HA THR A 34 -11.635 13.523 2.718 1.00 0.00 H new ATOM 0 HB THR A 34 -10.431 15.514 1.821 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.495 15.080 0.568 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.285 15.084 2.961 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.661 14.445 3.892 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.633 13.338 2.951 1.00 0.00 H new ATOM 565 N SER A 35 -12.481 15.045 0.499 1.00 0.00 N ATOM 566 CA SER A 35 -13.422 15.454 -0.539 1.00 0.00 C ATOM 567 C SER A 35 -12.854 15.207 -1.942 1.00 0.00 C ATOM 568 O SER A 35 -13.602 15.067 -2.910 1.00 0.00 O ATOM 569 CB SER A 35 -13.770 16.935 -0.368 1.00 0.00 C ATOM 570 OG SER A 35 -14.308 17.187 0.923 1.00 0.00 O ATOM 0 H SER A 35 -12.151 15.807 1.092 1.00 0.00 H new ATOM 0 HA SER A 35 -14.324 14.851 -0.434 1.00 0.00 H new ATOM 0 HB2 SER A 35 -12.877 17.542 -0.518 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.490 17.233 -1.130 1.00 0.00 H new ATOM 0 HG SER A 35 -14.521 18.140 1.008 1.00 0.00 H new ATOM 576 N GLU A 36 -11.533 15.139 -2.041 1.00 0.00 N ATOM 577 CA GLU A 36 -10.874 14.959 -3.327 1.00 0.00 C ATOM 578 C GLU A 36 -10.595 13.480 -3.598 1.00 0.00 C ATOM 579 O GLU A 36 -10.972 12.947 -4.643 1.00 0.00 O ATOM 580 CB GLU A 36 -9.574 15.764 -3.357 1.00 0.00 C ATOM 581 CG GLU A 36 -8.852 15.723 -4.693 1.00 0.00 C ATOM 582 CD GLU A 36 -7.676 16.670 -4.732 1.00 0.00 C ATOM 583 OE1 GLU A 36 -6.589 16.300 -4.242 1.00 0.00 O ATOM 584 OE2 GLU A 36 -7.842 17.809 -5.227 1.00 0.00 O ATOM 0 H GLU A 36 -10.897 15.206 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.537 15.322 -4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.795 16.802 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.906 15.385 -2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.506 14.708 -4.887 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.550 15.979 -5.490 1.00 0.00 H new ATOM 591 N THR A 37 -9.967 12.811 -2.637 1.00 0.00 N ATOM 592 CA THR A 37 -9.559 11.419 -2.803 1.00 0.00 C ATOM 593 C THR A 37 -10.735 10.456 -2.628 1.00 0.00 C ATOM 594 O THR A 37 -10.579 9.239 -2.722 1.00 0.00 O ATOM 595 CB THR A 37 -8.441 11.061 -1.804 1.00 0.00 C ATOM 596 OG1 THR A 37 -8.788 11.520 -0.489 1.00 0.00 O ATOM 597 CG2 THR A 37 -7.115 11.679 -2.228 1.00 0.00 C ATOM 0 H THR A 37 -9.728 13.212 -1.730 1.00 0.00 H new ATOM 0 HA THR A 37 -9.184 11.312 -3.821 1.00 0.00 H new ATOM 0 HB THR A 37 -8.332 9.977 -1.792 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.217 11.078 0.173 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.342 11.412 -1.507 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.837 11.304 -3.213 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.215 12.764 -2.267 1.00 0.00 H new ATOM 605 N TYR A 38 -11.910 11.017 -2.383 1.00 0.00 N ATOM 606 CA TYR A 38 -13.125 10.238 -2.167 1.00 0.00 C ATOM 607 C TYR A 38 -13.488 9.394 -3.386 1.00 0.00 C ATOM 608 O TYR A 38 -13.911 8.249 -3.253 1.00 0.00 O ATOM 609 CB TYR A 38 -14.278 11.194 -1.837 1.00 0.00 C ATOM 610 CG TYR A 38 -15.615 10.521 -1.628 1.00 0.00 C ATOM 611 CD1 TYR A 38 -15.888 9.835 -0.455 1.00 0.00 C ATOM 612 CD2 TYR A 38 -16.604 10.577 -2.603 1.00 0.00 C ATOM 613 CE1 TYR A 38 -17.107 9.223 -0.258 1.00 0.00 C ATOM 614 CE2 TYR A 38 -17.828 9.966 -2.413 1.00 0.00 C ATOM 615 CZ TYR A 38 -18.074 9.289 -1.236 1.00 0.00 C ATOM 616 OH TYR A 38 -19.291 8.674 -1.036 1.00 0.00 O ATOM 0 H TYR A 38 -12.050 12.026 -2.328 1.00 0.00 H new ATOM 0 HA TYR A 38 -12.947 9.553 -1.338 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -14.023 11.752 -0.936 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -14.374 11.919 -2.645 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -15.134 9.779 0.316 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -16.412 11.107 -3.524 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -17.303 8.692 0.662 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -18.587 10.018 -3.180 1.00 0.00 H new ATOM 0 HH TYR A 38 -19.862 8.815 -1.820 1.00 0.00 H new ATOM 626 N HIS A 39 -13.274 9.956 -4.565 1.00 0.00 N ATOM 627 CA HIS A 39 -13.814 9.404 -5.807 1.00 0.00 C ATOM 628 C HIS A 39 -13.403 7.953 -6.055 1.00 0.00 C ATOM 629 O HIS A 39 -14.220 7.041 -5.933 1.00 0.00 O ATOM 630 CB HIS A 39 -13.388 10.265 -6.996 1.00 0.00 C ATOM 631 CG HIS A 39 -13.864 11.681 -6.911 1.00 0.00 C ATOM 632 ND1 HIS A 39 -13.057 12.722 -6.509 1.00 0.00 N ATOM 633 CD2 HIS A 39 -15.069 12.229 -7.187 1.00 0.00 C ATOM 634 CE1 HIS A 39 -13.743 13.845 -6.537 1.00 0.00 C ATOM 635 NE2 HIS A 39 -14.968 13.576 -6.947 1.00 0.00 N ATOM 0 H HIS A 39 -12.723 10.805 -4.693 1.00 0.00 H new ATOM 0 HA HIS A 39 -14.899 9.414 -5.699 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -12.300 10.260 -7.067 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -13.769 9.817 -7.914 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -12.079 12.636 -6.232 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -15.947 11.704 -7.532 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -13.367 14.821 -6.270 1.00 0.00 H new ATOM 644 N ASP A 40 -12.140 7.747 -6.397 1.00 0.00 N ATOM 645 CA ASP A 40 -11.672 6.441 -6.850 1.00 0.00 C ATOM 646 C ASP A 40 -11.460 5.484 -5.687 1.00 0.00 C ATOM 647 O ASP A 40 -11.676 4.276 -5.808 1.00 0.00 O ATOM 648 CB ASP A 40 -10.362 6.592 -7.624 1.00 0.00 C ATOM 649 CG ASP A 40 -10.492 7.487 -8.837 1.00 0.00 C ATOM 650 OD1 ASP A 40 -11.076 7.050 -9.848 1.00 0.00 O ATOM 651 OD2 ASP A 40 -9.992 8.634 -8.786 1.00 0.00 O ATOM 0 H ASP A 40 -11.418 8.467 -6.370 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.443 6.025 -7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.599 6.998 -6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.018 5.607 -7.941 1.00 0.00 H new ATOM 656 N ILE A 41 -11.042 6.027 -4.558 1.00 0.00 N ATOM 657 CA ILE A 41 -10.666 5.208 -3.414 1.00 0.00 C ATOM 658 C ILE A 41 -11.901 4.645 -2.705 1.00 0.00 C ATOM 659 O ILE A 41 -11.812 3.674 -1.959 1.00 0.00 O ATOM 660 CB ILE A 41 -9.788 6.013 -2.437 1.00 0.00 C ATOM 661 CG1 ILE A 41 -8.640 6.672 -3.213 1.00 0.00 C ATOM 662 CG2 ILE A 41 -9.245 5.119 -1.328 1.00 0.00 C ATOM 663 CD1 ILE A 41 -7.688 7.469 -2.355 1.00 0.00 C ATOM 0 H ILE A 41 -10.953 7.032 -4.406 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.083 4.363 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.396 6.786 -1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -8.078 5.898 -3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.061 7.329 -3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.629 5.712 -0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.075 4.682 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.642 4.323 -1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.908 7.900 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.233 8.268 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.235 6.815 -1.610 1.00 0.00 H new ATOM 675 N ALA A 42 -13.059 5.242 -2.963 1.00 0.00 N ATOM 676 CA ALA A 42 -14.314 4.712 -2.444 1.00 0.00 C ATOM 677 C ALA A 42 -14.793 3.539 -3.293 1.00 0.00 C ATOM 678 O ALA A 42 -15.699 2.805 -2.901 1.00 0.00 O ATOM 679 CB ALA A 42 -15.375 5.797 -2.401 1.00 0.00 C ATOM 0 H ALA A 42 -13.155 6.088 -3.525 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.139 4.357 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.304 5.382 -2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.040 6.608 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.543 6.181 -3.407 1.00 0.00 H new ATOM 685 N VAL A 43 -14.186 3.377 -4.463 1.00 0.00 N ATOM 686 CA VAL A 43 -14.560 2.311 -5.379 1.00 0.00 C ATOM 687 C VAL A 43 -13.684 1.081 -5.162 1.00 0.00 C ATOM 688 O VAL A 43 -14.152 -0.054 -5.260 1.00 0.00 O ATOM 689 CB VAL A 43 -14.447 2.770 -6.852 1.00 0.00 C ATOM 690 CG1 VAL A 43 -14.900 1.674 -7.806 1.00 0.00 C ATOM 691 CG2 VAL A 43 -15.254 4.039 -7.080 1.00 0.00 C ATOM 0 H VAL A 43 -13.430 3.974 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.599 2.054 -5.172 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.398 2.983 -7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -14.809 2.026 -8.834 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.276 0.791 -7.668 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.940 1.419 -7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -15.162 4.346 -8.122 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -16.302 3.850 -6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.877 4.831 -6.433 1.00 0.00 H new ATOM 701 N LEU A 44 -12.411 1.308 -4.864 1.00 0.00 N ATOM 702 CA LEU A 44 -11.480 0.211 -4.637 1.00 0.00 C ATOM 703 C LEU A 44 -11.553 -0.268 -3.196 1.00 0.00 C ATOM 704 O LEU A 44 -11.308 0.494 -2.264 1.00 0.00 O ATOM 705 CB LEU A 44 -10.049 0.624 -4.989 1.00 0.00 C ATOM 706 CG LEU A 44 -9.641 0.397 -6.450 1.00 0.00 C ATOM 707 CD1 LEU A 44 -10.517 1.202 -7.398 1.00 0.00 C ATOM 708 CD2 LEU A 44 -8.178 0.750 -6.655 1.00 0.00 C ATOM 0 H LEU A 44 -12.001 2.238 -4.774 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.768 -0.612 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.926 1.681 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.361 0.073 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.782 -0.660 -6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.203 1.020 -8.426 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.557 0.900 -7.277 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.419 2.264 -7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.906 0.583 -7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.018 1.798 -6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.559 0.123 -6.013 1.00 0.00 H new ATOM 720 N LEU A 45 -11.878 -1.538 -3.024 1.00 0.00 N ATOM 721 CA LEU A 45 -12.064 -2.101 -1.704 1.00 0.00 C ATOM 722 C LEU A 45 -11.422 -3.484 -1.649 1.00 0.00 C ATOM 723 O LEU A 45 -12.057 -4.479 -1.984 1.00 0.00 O ATOM 724 CB LEU A 45 -13.572 -2.164 -1.403 1.00 0.00 C ATOM 725 CG LEU A 45 -13.983 -2.450 0.046 1.00 0.00 C ATOM 726 CD1 LEU A 45 -15.345 -1.836 0.322 1.00 0.00 C ATOM 727 CD2 LEU A 45 -14.041 -3.943 0.315 1.00 0.00 C ATOM 0 H LEU A 45 -12.018 -2.199 -3.788 1.00 0.00 H new ATOM 0 HA LEU A 45 -11.585 -1.480 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -14.016 -1.214 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -14.012 -2.933 -2.038 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.235 -2.009 0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -15.634 -2.041 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -15.297 -0.758 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -16.083 -2.268 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -14.335 -4.115 1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -14.770 -4.405 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.059 -4.383 0.139 1.00 0.00 H new ATOM 739 N TYR A 46 -10.148 -3.505 -1.244 1.00 0.00 N ATOM 740 CA TYR A 46 -9.349 -4.739 -1.085 1.00 0.00 C ATOM 741 C TYR A 46 -9.217 -5.530 -2.386 1.00 0.00 C ATOM 742 O TYR A 46 -8.163 -5.565 -3.015 1.00 0.00 O ATOM 743 CB TYR A 46 -9.961 -5.684 -0.053 1.00 0.00 C ATOM 744 CG TYR A 46 -10.189 -5.091 1.303 1.00 0.00 C ATOM 745 CD1 TYR A 46 -9.188 -4.409 1.971 1.00 0.00 C ATOM 746 CD2 TYR A 46 -11.415 -5.235 1.915 1.00 0.00 C ATOM 747 CE1 TYR A 46 -9.405 -3.881 3.227 1.00 0.00 C ATOM 748 CE2 TYR A 46 -11.646 -4.716 3.172 1.00 0.00 C ATOM 749 CZ TYR A 46 -10.636 -4.039 3.825 1.00 0.00 C ATOM 750 OH TYR A 46 -10.857 -3.530 5.083 1.00 0.00 O ATOM 0 H TYR A 46 -9.630 -2.657 -1.013 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.368 -4.393 -0.760 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.914 -6.047 -0.437 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.309 -6.551 0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.222 -4.288 1.502 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.207 -5.762 1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.616 -3.348 3.737 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -12.611 -4.839 3.642 1.00 0.00 H new ATOM 0 HH TYR A 46 -11.820 -3.518 5.267 1.00 0.00 H new ATOM 760 N GLU A 47 -10.317 -6.169 -2.746 1.00 0.00 N ATOM 761 CA GLU A 47 -10.388 -7.149 -3.811 1.00 0.00 C ATOM 762 C GLU A 47 -9.602 -8.408 -3.453 1.00 0.00 C ATOM 763 O GLU A 47 -10.174 -9.373 -2.947 1.00 0.00 O ATOM 764 CB GLU A 47 -9.918 -6.600 -5.168 1.00 0.00 C ATOM 765 CG GLU A 47 -10.849 -5.575 -5.793 1.00 0.00 C ATOM 766 CD GLU A 47 -10.546 -5.359 -7.262 1.00 0.00 C ATOM 767 OE1 GLU A 47 -11.011 -6.169 -8.094 1.00 0.00 O ATOM 768 OE2 GLU A 47 -9.825 -4.397 -7.593 1.00 0.00 O ATOM 0 H GLU A 47 -11.215 -6.013 -2.288 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.443 -7.402 -3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.934 -6.148 -5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.799 -7.433 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.881 -5.906 -5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.757 -4.629 -5.260 1.00 0.00 H new ATOM 775 N LYS A 48 -8.296 -8.396 -3.709 1.00 0.00 N ATOM 776 CA LYS A 48 -7.456 -9.557 -3.435 1.00 0.00 C ATOM 777 C LYS A 48 -5.963 -9.225 -3.540 1.00 0.00 C ATOM 778 O LYS A 48 -5.349 -8.806 -2.562 1.00 0.00 O ATOM 779 CB LYS A 48 -7.828 -10.733 -4.363 1.00 0.00 C ATOM 780 CG LYS A 48 -7.988 -10.353 -5.831 1.00 0.00 C ATOM 781 CD LYS A 48 -8.435 -11.542 -6.667 1.00 0.00 C ATOM 782 CE LYS A 48 -8.632 -11.152 -8.125 1.00 0.00 C ATOM 783 NZ LYS A 48 -9.146 -12.282 -8.942 1.00 0.00 N ATOM 0 H LYS A 48 -7.799 -7.598 -4.104 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.645 -9.858 -2.405 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.059 -11.501 -4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.760 -11.176 -4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.717 -9.548 -5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.042 -9.972 -6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.692 -12.337 -6.598 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.367 -11.941 -6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.329 -10.316 -8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.684 -10.808 -8.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.738 -12.234 -9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.878 -13.183 -8.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.182 -12.222 -9.005 1.00 0.00 H new ATOM 797 N THR A 49 -5.393 -9.381 -4.725 1.00 0.00 N ATOM 798 CA THR A 49 -3.953 -9.281 -4.900 1.00 0.00 C ATOM 799 C THR A 49 -3.526 -7.925 -5.450 1.00 0.00 C ATOM 800 O THR A 49 -3.941 -7.526 -6.540 1.00 0.00 O ATOM 801 CB THR A 49 -3.455 -10.387 -5.846 1.00 0.00 C ATOM 802 OG1 THR A 49 -4.291 -10.433 -7.012 1.00 0.00 O ATOM 803 CG2 THR A 49 -3.464 -11.740 -5.151 1.00 0.00 C ATOM 0 H THR A 49 -5.909 -9.578 -5.583 1.00 0.00 H new ATOM 0 HA THR A 49 -3.507 -9.399 -3.912 1.00 0.00 H new ATOM 0 HB THR A 49 -2.430 -10.159 -6.138 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.550 -9.522 -7.265 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.108 -12.506 -5.840 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.811 -11.705 -4.279 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.479 -11.980 -4.835 1.00 0.00 H new ATOM 811 N PHE A 50 -2.697 -7.227 -4.690 1.00 0.00 N ATOM 812 CA PHE A 50 -2.087 -5.992 -5.155 1.00 0.00 C ATOM 813 C PHE A 50 -0.620 -6.221 -5.467 1.00 0.00 C ATOM 814 O PHE A 50 0.132 -6.717 -4.627 1.00 0.00 O ATOM 815 CB PHE A 50 -2.200 -4.879 -4.114 1.00 0.00 C ATOM 816 CG PHE A 50 -3.579 -4.316 -3.954 1.00 0.00 C ATOM 817 CD1 PHE A 50 -4.090 -3.427 -4.886 1.00 0.00 C ATOM 818 CD2 PHE A 50 -4.356 -4.662 -2.864 1.00 0.00 C ATOM 819 CE1 PHE A 50 -5.355 -2.894 -4.733 1.00 0.00 C ATOM 820 CE2 PHE A 50 -5.619 -4.133 -2.705 1.00 0.00 C ATOM 821 CZ PHE A 50 -6.121 -3.248 -3.640 1.00 0.00 C ATOM 0 H PHE A 50 -2.430 -7.497 -3.743 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.622 -5.685 -6.054 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.864 -5.264 -3.151 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.521 -4.072 -4.389 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.493 -3.148 -5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.970 -5.354 -2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.744 -2.203 -5.466 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.216 -4.410 -1.849 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.111 -2.834 -3.516 1.00 0.00 H new ATOM 831 N ASN A 51 -0.220 -5.875 -6.675 1.00 0.00 N ATOM 832 CA ASN A 51 1.182 -5.923 -7.047 1.00 0.00 C ATOM 833 C ASN A 51 1.904 -4.726 -6.446 1.00 0.00 C ATOM 834 O ASN A 51 1.915 -3.632 -7.020 1.00 0.00 O ATOM 835 CB ASN A 51 1.339 -5.947 -8.573 1.00 0.00 C ATOM 836 CG ASN A 51 2.774 -6.187 -9.007 1.00 0.00 C ATOM 837 OD1 ASN A 51 3.554 -6.824 -8.300 1.00 0.00 O ATOM 838 ND2 ASN A 51 3.130 -5.693 -10.184 1.00 0.00 N ATOM 0 H ASN A 51 -0.845 -5.558 -7.416 1.00 0.00 H new ATOM 0 HA ASN A 51 1.625 -6.839 -6.656 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.702 -6.728 -8.988 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.992 -5.000 -8.986 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.078 -5.836 -10.531 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.456 -5.170 -10.743 1.00 0.00 H new ATOM 845 N VAL A 52 2.467 -4.933 -5.266 1.00 0.00 N ATOM 846 CA VAL A 52 3.115 -3.866 -4.523 1.00 0.00 C ATOM 847 C VAL A 52 4.508 -3.615 -5.065 1.00 0.00 C ATOM 848 O VAL A 52 5.453 -4.344 -4.758 1.00 0.00 O ATOM 849 CB VAL A 52 3.206 -4.192 -3.016 1.00 0.00 C ATOM 850 CG1 VAL A 52 3.797 -3.023 -2.240 1.00 0.00 C ATOM 851 CG2 VAL A 52 1.841 -4.567 -2.467 1.00 0.00 C ATOM 0 H VAL A 52 2.487 -5.840 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 52 2.505 -2.971 -4.645 1.00 0.00 H new ATOM 0 HB VAL A 52 3.871 -5.047 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.850 -3.278 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.799 -2.809 -2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.166 -2.144 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.926 -4.793 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.151 -3.735 -2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.464 -5.443 -2.995 1.00 0.00 H new ATOM 861 N GLU A 53 4.622 -2.601 -5.896 1.00 0.00 N ATOM 862 CA GLU A 53 5.906 -2.210 -6.435 1.00 0.00 C ATOM 863 C GLU A 53 6.289 -0.858 -5.901 1.00 0.00 C ATOM 864 O GLU A 53 5.742 0.173 -6.296 1.00 0.00 O ATOM 865 CB GLU A 53 5.884 -2.205 -7.962 1.00 0.00 C ATOM 866 CG GLU A 53 5.335 -3.488 -8.565 1.00 0.00 C ATOM 867 CD GLU A 53 5.400 -3.501 -10.078 1.00 0.00 C ATOM 868 OE1 GLU A 53 4.804 -2.605 -10.713 1.00 0.00 O ATOM 869 OE2 GLU A 53 6.039 -4.412 -10.640 1.00 0.00 O ATOM 0 H GLU A 53 3.838 -2.031 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 53 6.653 -2.939 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.281 -1.364 -8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.897 -2.044 -8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.897 -4.337 -8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.300 -3.618 -8.249 1.00 0.00 H new ATOM 876 N VAL A 54 7.220 -0.878 -4.987 1.00 0.00 N ATOM 877 CA VAL A 54 7.668 0.321 -4.349 1.00 0.00 C ATOM 878 C VAL A 54 9.097 0.655 -4.788 1.00 0.00 C ATOM 879 O VAL A 54 10.062 0.031 -4.351 1.00 0.00 O ATOM 880 CB VAL A 54 7.559 0.197 -2.812 1.00 0.00 C ATOM 881 CG1 VAL A 54 8.312 -1.007 -2.280 1.00 0.00 C ATOM 882 CG2 VAL A 54 8.036 1.463 -2.152 1.00 0.00 C ATOM 0 H VAL A 54 7.687 -1.727 -4.667 1.00 0.00 H new ATOM 0 HA VAL A 54 7.023 1.144 -4.656 1.00 0.00 H new ATOM 0 HB VAL A 54 6.507 0.046 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.206 -1.052 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.904 -1.916 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.367 -0.919 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.954 1.362 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.076 1.644 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.423 2.300 -2.486 1.00 0.00 H new ATOM 892 N PRO A 55 9.245 1.627 -5.702 1.00 0.00 N ATOM 893 CA PRO A 55 10.557 2.057 -6.194 1.00 0.00 C ATOM 894 C PRO A 55 11.355 2.770 -5.111 1.00 0.00 C ATOM 895 O PRO A 55 12.569 2.931 -5.213 1.00 0.00 O ATOM 896 CB PRO A 55 10.218 3.017 -7.338 1.00 0.00 C ATOM 897 CG PRO A 55 8.844 3.507 -7.032 1.00 0.00 C ATOM 898 CD PRO A 55 8.144 2.373 -6.336 1.00 0.00 C ATOM 0 HA PRO A 55 11.177 1.217 -6.508 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.930 3.841 -7.386 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.251 2.510 -8.302 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.878 4.393 -6.397 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.318 3.789 -7.944 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.428 2.735 -5.599 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.590 1.751 -7.039 1.00 0.00 H new ATOM 906 N GLU A 56 10.647 3.179 -4.064 1.00 0.00 N ATOM 907 CA GLU A 56 11.250 3.845 -2.920 1.00 0.00 C ATOM 908 C GLU A 56 12.317 2.960 -2.282 1.00 0.00 C ATOM 909 O GLU A 56 13.418 3.413 -1.977 1.00 0.00 O ATOM 910 CB GLU A 56 10.165 4.172 -1.890 1.00 0.00 C ATOM 911 CG GLU A 56 10.638 5.056 -0.753 1.00 0.00 C ATOM 912 CD GLU A 56 11.003 6.440 -1.229 1.00 0.00 C ATOM 913 OE1 GLU A 56 10.082 7.243 -1.473 1.00 0.00 O ATOM 914 OE2 GLU A 56 12.210 6.728 -1.373 1.00 0.00 O ATOM 0 H GLU A 56 9.637 3.057 -3.986 1.00 0.00 H new ATOM 0 HA GLU A 56 11.724 4.766 -3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.334 4.663 -2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.780 3.240 -1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.855 5.127 0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.503 4.598 -0.273 1.00 0.00 H new ATOM 921 N ARG A 57 11.980 1.690 -2.094 1.00 0.00 N ATOM 922 CA ARG A 57 12.866 0.748 -1.431 1.00 0.00 C ATOM 923 C ARG A 57 13.285 -0.356 -2.393 1.00 0.00 C ATOM 924 O ARG A 57 13.942 -1.320 -2.000 1.00 0.00 O ATOM 925 CB ARG A 57 12.134 0.144 -0.239 1.00 0.00 C ATOM 926 CG ARG A 57 11.468 1.186 0.644 1.00 0.00 C ATOM 927 CD ARG A 57 10.590 0.540 1.692 1.00 0.00 C ATOM 928 NE ARG A 57 11.340 -0.403 2.504 1.00 0.00 N ATOM 929 CZ ARG A 57 10.924 -0.883 3.673 1.00 0.00 C ATOM 930 NH1 ARG A 57 9.743 -0.526 4.163 1.00 0.00 N ATOM 931 NH2 ARG A 57 11.693 -1.722 4.352 1.00 0.00 N ATOM 0 H ARG A 57 11.092 1.289 -2.395 1.00 0.00 H new ATOM 0 HA ARG A 57 13.763 1.269 -1.095 1.00 0.00 H new ATOM 0 HB2 ARG A 57 11.378 -0.554 -0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.840 -0.432 0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 57 12.231 1.794 1.130 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.869 1.858 0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.158 1.310 2.331 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.760 0.026 1.207 1.00 0.00 H new ATOM 0 HE ARG A 57 12.245 -0.718 2.155 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.149 0.120 3.643 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.430 -0.897 5.060 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.601 -1.998 3.978 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.377 -2.092 5.249 1.00 0.00 H new ATOM 945 N ASP A 58 12.904 -0.180 -3.658 1.00 0.00 N ATOM 946 CA ASP A 58 13.062 -1.200 -4.698 1.00 0.00 C ATOM 947 C ASP A 58 12.518 -2.550 -4.235 1.00 0.00 C ATOM 948 O ASP A 58 13.269 -3.460 -3.876 1.00 0.00 O ATOM 949 CB ASP A 58 14.517 -1.338 -5.161 1.00 0.00 C ATOM 950 CG ASP A 58 14.644 -2.272 -6.354 1.00 0.00 C ATOM 951 OD1 ASP A 58 14.186 -1.901 -7.458 1.00 0.00 O ATOM 952 OD2 ASP A 58 15.204 -3.381 -6.201 1.00 0.00 O ATOM 0 H ASP A 58 12.473 0.681 -3.994 1.00 0.00 H new ATOM 0 HA ASP A 58 12.477 -0.865 -5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.909 -0.356 -5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.126 -1.714 -4.339 1.00 0.00 H new ATOM 957 N LEU A 59 11.202 -2.655 -4.215 1.00 0.00 N ATOM 958 CA LEU A 59 10.536 -3.887 -3.836 1.00 0.00 C ATOM 959 C LEU A 59 9.389 -4.141 -4.797 1.00 0.00 C ATOM 960 O LEU A 59 8.440 -3.360 -4.854 1.00 0.00 O ATOM 961 CB LEU A 59 10.004 -3.786 -2.400 1.00 0.00 C ATOM 962 CG LEU A 59 10.104 -5.057 -1.549 1.00 0.00 C ATOM 963 CD1 LEU A 59 9.618 -4.774 -0.137 1.00 0.00 C ATOM 964 CD2 LEU A 59 9.304 -6.198 -2.164 1.00 0.00 C ATOM 0 H LEU A 59 10.568 -1.894 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 59 11.246 -4.712 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.545 -2.989 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.957 -3.484 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 59 11.150 -5.363 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.692 -5.682 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.233 -3.993 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.580 -4.444 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.395 -7.085 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.255 -5.910 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.689 -6.416 -3.160 1.00 0.00 H new ATOM 976 N ALA A 60 9.494 -5.204 -5.571 1.00 0.00 N ATOM 977 CA ALA A 60 8.445 -5.566 -6.508 1.00 0.00 C ATOM 978 C ALA A 60 7.841 -6.906 -6.119 1.00 0.00 C ATOM 979 O ALA A 60 8.333 -7.960 -6.521 1.00 0.00 O ATOM 980 CB ALA A 60 8.991 -5.608 -7.929 1.00 0.00 C ATOM 0 H ALA A 60 10.296 -5.834 -5.570 1.00 0.00 H new ATOM 0 HA ALA A 60 7.661 -4.810 -6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.192 -5.881 -8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.382 -4.627 -8.198 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.790 -6.347 -7.990 1.00 0.00 H new ATOM 986 N PHE A 61 6.790 -6.861 -5.313 1.00 0.00 N ATOM 987 CA PHE A 61 6.194 -8.072 -4.773 1.00 0.00 C ATOM 988 C PHE A 61 4.679 -7.952 -4.732 1.00 0.00 C ATOM 989 O PHE A 61 4.135 -6.945 -4.291 1.00 0.00 O ATOM 990 CB PHE A 61 6.737 -8.332 -3.370 1.00 0.00 C ATOM 991 CG PHE A 61 6.299 -9.636 -2.773 1.00 0.00 C ATOM 992 CD1 PHE A 61 6.963 -10.810 -3.087 1.00 0.00 C ATOM 993 CD2 PHE A 61 5.230 -9.688 -1.894 1.00 0.00 C ATOM 994 CE1 PHE A 61 6.569 -12.013 -2.536 1.00 0.00 C ATOM 995 CE2 PHE A 61 4.831 -10.887 -1.339 1.00 0.00 C ATOM 996 CZ PHE A 61 5.502 -12.052 -1.660 1.00 0.00 C ATOM 0 H PHE A 61 6.333 -5.998 -5.019 1.00 0.00 H new ATOM 0 HA PHE A 61 6.454 -8.909 -5.421 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.826 -8.309 -3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.421 -7.521 -2.714 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.799 -10.784 -3.771 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.703 -8.780 -1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.094 -12.922 -2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.996 -10.915 -0.655 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.192 -12.991 -1.226 1.00 0.00 H new ATOM 1006 N ARG A 62 4.009 -8.991 -5.176 1.00 0.00 N ATOM 1007 CA ARG A 62 2.557 -8.990 -5.240 1.00 0.00 C ATOM 1008 C ARG A 62 1.969 -9.759 -4.063 1.00 0.00 C ATOM 1009 O ARG A 62 2.092 -10.982 -3.978 1.00 0.00 O ATOM 1010 CB ARG A 62 2.098 -9.588 -6.571 1.00 0.00 C ATOM 1011 CG ARG A 62 0.587 -9.688 -6.728 1.00 0.00 C ATOM 1012 CD ARG A 62 0.220 -10.177 -8.121 1.00 0.00 C ATOM 1013 NE ARG A 62 0.968 -11.378 -8.486 1.00 0.00 N ATOM 1014 CZ ARG A 62 1.490 -11.598 -9.690 1.00 0.00 C ATOM 1015 NH1 ARG A 62 1.333 -10.713 -10.670 1.00 0.00 N ATOM 1016 NH2 ARG A 62 2.176 -12.711 -9.915 1.00 0.00 N ATOM 0 H ARG A 62 4.445 -9.854 -5.501 1.00 0.00 H new ATOM 0 HA ARG A 62 2.198 -7.963 -5.178 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.496 -8.981 -7.384 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.529 -10.584 -6.676 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.183 -10.371 -5.980 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.133 -8.714 -6.548 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.849 -10.387 -8.163 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.419 -9.389 -8.848 1.00 0.00 H new ATOM 0 HE ARG A 62 1.098 -12.094 -7.772 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.808 -9.855 -10.503 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.738 -10.892 -11.589 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.301 -13.393 -9.167 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.578 -12.885 -10.836 1.00 0.00 H new ATOM 1030 N GLY A 63 1.342 -9.025 -3.155 1.00 0.00 N ATOM 1031 CA GLY A 63 0.746 -9.633 -1.983 1.00 0.00 C ATOM 1032 C GLY A 63 -0.759 -9.732 -2.103 1.00 0.00 C ATOM 1033 O GLY A 63 -1.318 -9.455 -3.168 1.00 0.00 O ATOM 0 H GLY A 63 1.235 -8.012 -3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.165 -10.629 -1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.002 -9.047 -1.100 1.00 0.00 H new ATOM 1037 N GLU A 64 -1.419 -10.101 -1.018 1.00 0.00 N ATOM 1038 CA GLU A 64 -2.862 -10.284 -1.040 1.00 0.00 C ATOM 1039 C GLU A 64 -3.515 -9.699 0.205 1.00 0.00 C ATOM 1040 O GLU A 64 -2.923 -9.677 1.290 1.00 0.00 O ATOM 1041 CB GLU A 64 -3.216 -11.771 -1.151 1.00 0.00 C ATOM 1042 CG GLU A 64 -2.649 -12.620 -0.021 1.00 0.00 C ATOM 1043 CD GLU A 64 -3.274 -13.998 0.057 1.00 0.00 C ATOM 1044 OE1 GLU A 64 -4.293 -14.147 0.762 1.00 0.00 O ATOM 1045 OE2 GLU A 64 -2.740 -14.936 -0.572 1.00 0.00 O ATOM 0 H GLU A 64 -0.982 -10.279 -0.114 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.244 -9.755 -1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.301 -11.877 -1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.846 -12.154 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.572 -12.723 -0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.803 -12.103 0.926 1.00 0.00 H new ATOM 1052 N MET A 65 -4.731 -9.206 0.032 1.00 0.00 N ATOM 1053 CA MET A 65 -5.555 -8.790 1.152 1.00 0.00 C ATOM 1054 C MET A 65 -6.186 -10.019 1.787 1.00 0.00 C ATOM 1055 O MET A 65 -7.110 -10.606 1.228 1.00 0.00 O ATOM 1056 CB MET A 65 -6.661 -7.829 0.708 1.00 0.00 C ATOM 1057 CG MET A 65 -6.160 -6.462 0.287 1.00 0.00 C ATOM 1058 SD MET A 65 -5.226 -5.640 1.590 1.00 0.00 S ATOM 1059 CE MET A 65 -6.359 -5.778 2.970 1.00 0.00 C ATOM 0 H MET A 65 -5.170 -9.084 -0.881 1.00 0.00 H new ATOM 0 HA MET A 65 -4.920 -8.270 1.869 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.205 -8.277 -0.124 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.372 -7.708 1.525 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.531 -6.565 -0.597 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.008 -5.839 0.004 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.526 -4.792 3.404 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.308 -6.187 2.622 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.934 -6.439 3.725 1.00 0.00 H new ATOM 1069 N THR A 66 -5.690 -10.409 2.944 1.00 0.00 N ATOM 1070 CA THR A 66 -6.124 -11.645 3.570 1.00 0.00 C ATOM 1071 C THR A 66 -7.373 -11.447 4.409 1.00 0.00 C ATOM 1072 O THR A 66 -7.999 -12.418 4.837 1.00 0.00 O ATOM 1073 CB THR A 66 -5.014 -12.223 4.459 1.00 0.00 C ATOM 1074 OG1 THR A 66 -4.500 -11.195 5.322 1.00 0.00 O ATOM 1075 CG2 THR A 66 -3.890 -12.794 3.612 1.00 0.00 C ATOM 0 H THR A 66 -4.987 -9.890 3.470 1.00 0.00 H new ATOM 0 HA THR A 66 -6.353 -12.342 2.763 1.00 0.00 H new ATOM 0 HB THR A 66 -5.435 -13.028 5.062 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.924 -11.599 6.004 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.114 -13.198 4.262 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.281 -13.588 2.976 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.467 -12.006 2.989 1.00 0.00 H new ATOM 1083 N ASN A 67 -7.745 -10.194 4.643 1.00 0.00 N ATOM 1084 CA ASN A 67 -8.850 -9.906 5.540 1.00 0.00 C ATOM 1085 C ASN A 67 -9.484 -8.557 5.239 1.00 0.00 C ATOM 1086 O ASN A 67 -8.955 -7.764 4.461 1.00 0.00 O ATOM 1087 CB ASN A 67 -8.377 -9.940 6.996 1.00 0.00 C ATOM 1088 CG ASN A 67 -7.485 -8.766 7.353 1.00 0.00 C ATOM 1089 OD1 ASN A 67 -7.952 -7.746 7.861 1.00 0.00 O ATOM 1090 ND2 ASN A 67 -6.198 -8.899 7.080 1.00 0.00 N ATOM 0 H ASN A 67 -7.303 -9.373 4.229 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.605 -10.677 5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.245 -9.944 7.655 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.836 -10.869 7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.551 -8.139 7.291 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.852 -9.761 6.659 1.00 0.00 H new ATOM 1097 N TYR A 68 -10.623 -8.319 5.873 1.00 0.00 N ATOM 1098 CA TYR A 68 -11.333 -7.055 5.779 1.00 0.00 C ATOM 1099 C TYR A 68 -11.524 -6.493 7.183 1.00 0.00 C ATOM 1100 O TYR A 68 -11.957 -7.212 8.085 1.00 0.00 O ATOM 1101 CB TYR A 68 -12.689 -7.259 5.084 1.00 0.00 C ATOM 1102 CG TYR A 68 -13.550 -8.332 5.716 1.00 0.00 C ATOM 1103 CD1 TYR A 68 -13.372 -9.673 5.395 1.00 0.00 C ATOM 1104 CD2 TYR A 68 -14.535 -8.005 6.639 1.00 0.00 C ATOM 1105 CE1 TYR A 68 -14.147 -10.655 5.978 1.00 0.00 C ATOM 1106 CE2 TYR A 68 -15.311 -8.982 7.230 1.00 0.00 C ATOM 1107 CZ TYR A 68 -15.114 -10.305 6.896 1.00 0.00 C ATOM 1108 OH TYR A 68 -15.873 -11.286 7.492 1.00 0.00 O ATOM 0 H TYR A 68 -11.083 -9.005 6.472 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.755 -6.348 5.184 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -13.236 -6.316 5.094 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -12.515 -7.516 4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.614 -9.951 4.677 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -14.697 -6.969 6.899 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -13.997 -11.692 5.716 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -16.069 -8.711 7.950 1.00 0.00 H new ATOM 0 HH TYR A 68 -16.508 -10.875 8.115 1.00 0.00 H new ATOM 1118 N SER A 69 -11.188 -5.230 7.380 1.00 0.00 N ATOM 1119 CA SER A 69 -11.240 -4.638 8.708 1.00 0.00 C ATOM 1120 C SER A 69 -11.611 -3.158 8.645 1.00 0.00 C ATOM 1121 O SER A 69 -10.953 -2.363 7.972 1.00 0.00 O ATOM 1122 CB SER A 69 -9.895 -4.823 9.421 1.00 0.00 C ATOM 1123 OG SER A 69 -9.592 -6.202 9.599 1.00 0.00 O ATOM 0 H SER A 69 -10.878 -4.597 6.643 1.00 0.00 H new ATOM 0 HA SER A 69 -12.017 -5.150 9.275 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.105 -4.346 8.841 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.923 -4.326 10.391 1.00 0.00 H new ATOM 0 HG SER A 69 -9.025 -6.510 8.862 1.00 0.00 H new ATOM 1129 N THR A 70 -12.674 -2.798 9.351 1.00 0.00 N ATOM 1130 CA THR A 70 -13.112 -1.413 9.424 1.00 0.00 C ATOM 1131 C THR A 70 -12.616 -0.761 10.714 1.00 0.00 C ATOM 1132 O THR A 70 -13.251 -0.862 11.765 1.00 0.00 O ATOM 1133 CB THR A 70 -14.652 -1.297 9.332 1.00 0.00 C ATOM 1134 OG1 THR A 70 -15.285 -2.160 10.292 1.00 0.00 O ATOM 1135 CG2 THR A 70 -15.139 -1.650 7.934 1.00 0.00 C ATOM 0 H THR A 70 -13.250 -3.450 9.883 1.00 0.00 H new ATOM 0 HA THR A 70 -12.682 -0.889 8.570 1.00 0.00 H new ATOM 0 HB THR A 70 -14.920 -0.263 9.550 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.866 -2.037 11.169 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.225 -1.561 7.894 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.692 -0.969 7.210 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.850 -2.673 7.695 1.00 0.00 H new ATOM 1143 N SER A 71 -11.450 -0.131 10.644 1.00 0.00 N ATOM 1144 CA SER A 71 -10.871 0.519 11.810 1.00 0.00 C ATOM 1145 C SER A 71 -11.286 1.988 11.894 1.00 0.00 C ATOM 1146 O SER A 71 -11.357 2.558 12.984 1.00 0.00 O ATOM 1147 CB SER A 71 -9.355 0.392 11.785 1.00 0.00 C ATOM 1148 OG SER A 71 -8.976 -0.972 11.762 1.00 0.00 O ATOM 0 H SER A 71 -10.889 -0.057 9.795 1.00 0.00 H new ATOM 0 HA SER A 71 -11.252 0.017 12.699 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.955 0.902 10.909 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.928 0.880 12.661 1.00 0.00 H new ATOM 0 HG SER A 71 -8.403 -1.139 10.985 1.00 0.00 H new ATOM 1154 N LEU A 72 -11.569 2.591 10.744 1.00 0.00 N ATOM 1155 CA LEU A 72 -11.990 3.989 10.699 1.00 0.00 C ATOM 1156 C LEU A 72 -13.076 4.158 9.642 1.00 0.00 C ATOM 1157 O LEU A 72 -14.230 4.435 9.969 1.00 0.00 O ATOM 1158 CB LEU A 72 -10.788 4.904 10.396 1.00 0.00 C ATOM 1159 CG LEU A 72 -10.928 6.377 10.820 1.00 0.00 C ATOM 1160 CD1 LEU A 72 -11.988 7.103 10.004 1.00 0.00 C ATOM 1161 CD2 LEU A 72 -11.242 6.477 12.305 1.00 0.00 C ATOM 0 H LEU A 72 -11.515 2.136 9.833 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.393 4.274 11.671 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.909 4.488 10.889 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.597 4.873 9.323 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.973 6.864 10.626 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.055 8.139 10.335 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.717 7.076 8.949 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.952 6.614 10.143 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.337 7.526 12.587 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.177 5.958 12.515 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.436 6.019 12.879 1.00 0.00 H new ATOM 1173 N THR A 73 -12.699 3.987 8.380 1.00 0.00 N ATOM 1174 CA THR A 73 -13.656 4.041 7.284 1.00 0.00 C ATOM 1175 C THR A 73 -14.642 2.879 7.370 1.00 0.00 C ATOM 1176 O THR A 73 -14.325 1.822 7.918 1.00 0.00 O ATOM 1177 CB THR A 73 -12.939 4.012 5.918 1.00 0.00 C ATOM 1178 OG1 THR A 73 -11.724 3.263 6.023 1.00 0.00 O ATOM 1179 CG2 THR A 73 -12.638 5.421 5.421 1.00 0.00 C ATOM 0 H THR A 73 -11.737 3.810 8.092 1.00 0.00 H new ATOM 0 HA THR A 73 -14.203 4.980 7.372 1.00 0.00 H new ATOM 0 HB THR A 73 -13.602 3.533 5.197 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.000 3.854 6.316 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.133 5.366 4.457 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.570 5.975 5.311 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.995 5.931 6.139 1.00 0.00 H new ATOM 1187 N ASN A 74 -15.837 3.086 6.835 1.00 0.00 N ATOM 1188 CA ASN A 74 -16.871 2.060 6.858 1.00 0.00 C ATOM 1189 C ASN A 74 -16.753 1.170 5.628 1.00 0.00 C ATOM 1190 O ASN A 74 -17.410 0.135 5.539 1.00 0.00 O ATOM 1191 CB ASN A 74 -18.268 2.700 6.918 1.00 0.00 C ATOM 1192 CG ASN A 74 -18.636 3.476 5.661 1.00 0.00 C ATOM 1193 OD1 ASN A 74 -17.768 3.950 4.921 1.00 0.00 O ATOM 1194 ND2 ASN A 74 -19.929 3.631 5.418 1.00 0.00 N ATOM 0 H ASN A 74 -16.115 3.955 6.379 1.00 0.00 H new ATOM 0 HA ASN A 74 -16.733 1.450 7.751 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -19.010 1.919 7.083 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -18.315 3.371 7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -20.235 4.156 4.598 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -20.619 3.226 6.051 1.00 0.00 H new ATOM 1201 N LEU A 75 -15.896 1.592 4.697 1.00 0.00 N ATOM 1202 CA LEU A 75 -15.700 0.900 3.424 1.00 0.00 C ATOM 1203 C LEU A 75 -17.034 0.556 2.770 1.00 0.00 C ATOM 1204 O LEU A 75 -17.401 -0.612 2.630 1.00 0.00 O ATOM 1205 CB LEU A 75 -14.831 -0.351 3.591 1.00 0.00 C ATOM 1206 CG LEU A 75 -13.340 -0.082 3.823 1.00 0.00 C ATOM 1207 CD1 LEU A 75 -13.045 0.142 5.295 1.00 0.00 C ATOM 1208 CD2 LEU A 75 -12.500 -1.223 3.276 1.00 0.00 C ATOM 0 H LEU A 75 -15.318 2.425 4.806 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.169 1.584 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.214 -0.931 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.938 -0.970 2.700 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.076 0.830 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.980 0.330 5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.613 1.001 5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.330 -0.744 5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.445 -1.014 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.774 -2.150 3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.678 -1.325 2.205 1.00 0.00 H new ATOM 1220 N TYR A 76 -17.757 1.600 2.400 1.00 0.00 N ATOM 1221 CA TYR A 76 -19.054 1.470 1.753 1.00 0.00 C ATOM 1222 C TYR A 76 -19.462 2.826 1.201 1.00 0.00 C ATOM 1223 O TYR A 76 -19.873 2.949 0.050 1.00 0.00 O ATOM 1224 CB TYR A 76 -20.105 0.958 2.745 1.00 0.00 C ATOM 1225 CG TYR A 76 -21.475 0.762 2.136 1.00 0.00 C ATOM 1226 CD1 TYR A 76 -21.753 -0.352 1.352 1.00 0.00 C ATOM 1227 CD2 TYR A 76 -22.490 1.686 2.345 1.00 0.00 C ATOM 1228 CE1 TYR A 76 -23.003 -0.537 0.796 1.00 0.00 C ATOM 1229 CE2 TYR A 76 -23.742 1.507 1.792 1.00 0.00 C ATOM 1230 CZ TYR A 76 -23.994 0.396 1.019 1.00 0.00 C ATOM 1231 OH TYR A 76 -25.241 0.218 0.468 1.00 0.00 O ATOM 0 H TYR A 76 -17.460 2.566 2.540 1.00 0.00 H new ATOM 0 HA TYR A 76 -18.984 0.747 0.940 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -19.765 0.011 3.164 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -20.183 1.663 3.573 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -20.979 -1.084 1.175 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -22.297 2.559 2.950 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -23.204 -1.408 0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -24.520 2.235 1.965 1.00 0.00 H new ATOM 0 HH TYR A 76 -25.821 0.965 0.724 1.00 0.00 H new ATOM 1241 N GLU A 77 -19.328 3.842 2.044 1.00 0.00 N ATOM 1242 CA GLU A 77 -19.590 5.218 1.651 1.00 0.00 C ATOM 1243 C GLU A 77 -19.006 6.173 2.689 1.00 0.00 C ATOM 1244 O GLU A 77 -19.632 6.450 3.714 1.00 0.00 O ATOM 1245 CB GLU A 77 -21.092 5.467 1.493 1.00 0.00 C ATOM 1246 CG GLU A 77 -21.417 6.827 0.899 1.00 0.00 C ATOM 1247 CD GLU A 77 -22.898 7.134 0.911 1.00 0.00 C ATOM 1248 OE1 GLU A 77 -23.615 6.651 0.012 1.00 0.00 O ATOM 1249 OE2 GLU A 77 -23.351 7.864 1.818 1.00 0.00 O ATOM 0 H GLU A 77 -19.036 3.735 3.015 1.00 0.00 H new ATOM 0 HA GLU A 77 -19.114 5.397 0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -21.517 4.690 0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -21.572 5.380 2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -20.886 7.598 1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -21.051 6.867 -0.127 1.00 0.00 H new ATOM 1256 N PRO A 78 -17.768 6.636 2.466 1.00 0.00 N ATOM 1257 CA PRO A 78 -17.106 7.604 3.346 1.00 0.00 C ATOM 1258 C PRO A 78 -17.691 9.009 3.202 1.00 0.00 C ATOM 1259 O PRO A 78 -18.652 9.217 2.457 1.00 0.00 O ATOM 1260 CB PRO A 78 -15.640 7.582 2.879 1.00 0.00 C ATOM 1261 CG PRO A 78 -15.530 6.421 1.943 1.00 0.00 C ATOM 1262 CD PRO A 78 -16.897 6.235 1.357 1.00 0.00 C ATOM 0 HA PRO A 78 -17.231 7.346 4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -15.374 8.514 2.380 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.962 7.469 3.725 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -14.794 6.616 1.163 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.206 5.524 2.470 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -17.049 6.857 0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -17.073 5.203 1.054 1.00 0.00 H new ATOM 1270 N GLY A 79 -17.110 9.965 3.911 1.00 0.00 N ATOM 1271 CA GLY A 79 -17.587 11.331 3.839 1.00 0.00 C ATOM 1272 C GLY A 79 -16.464 12.318 3.608 1.00 0.00 C ATOM 1273 O GLY A 79 -16.245 12.767 2.480 1.00 0.00 O ATOM 0 H GLY A 79 -16.317 9.820 4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.316 11.417 3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -18.104 11.582 4.765 1.00 0.00 H new ATOM 1277 N ALA A 80 -15.752 12.648 4.674 1.00 0.00 N ATOM 1278 CA ALA A 80 -14.629 13.566 4.602 1.00 0.00 C ATOM 1279 C ALA A 80 -13.619 13.235 5.691 1.00 0.00 C ATOM 1280 O ALA A 80 -13.998 12.984 6.838 1.00 0.00 O ATOM 1281 CB ALA A 80 -15.102 15.005 4.737 1.00 0.00 C ATOM 0 H ALA A 80 -15.936 12.288 5.610 1.00 0.00 H new ATOM 0 HA ALA A 80 -14.150 13.456 3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -14.245 15.676 4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -15.798 15.236 3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -15.602 15.135 5.697 1.00 0.00 H new ATOM 1287 N VAL A 81 -12.336 13.244 5.327 1.00 0.00 N ATOM 1288 CA VAL A 81 -11.257 12.869 6.244 1.00 0.00 C ATOM 1289 C VAL A 81 -11.502 11.465 6.754 1.00 0.00 C ATOM 1290 O VAL A 81 -11.532 11.214 7.959 1.00 0.00 O ATOM 1291 CB VAL A 81 -11.141 13.827 7.449 1.00 0.00 C ATOM 1292 CG1 VAL A 81 -9.775 13.709 8.118 1.00 0.00 C ATOM 1293 CG2 VAL A 81 -11.409 15.249 7.020 1.00 0.00 C ATOM 0 H VAL A 81 -12.016 13.509 4.395 1.00 0.00 H new ATOM 0 HA VAL A 81 -10.322 12.927 5.686 1.00 0.00 H new ATOM 0 HB VAL A 81 -11.894 13.541 8.183 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.723 14.396 8.963 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.630 12.688 8.471 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.995 13.959 7.399 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -11.323 15.911 7.881 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.683 15.543 6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -12.415 15.321 6.606 1.00 0.00 H new ATOM 1303 N SER A 82 -11.737 10.559 5.834 1.00 0.00 N ATOM 1304 CA SER A 82 -12.039 9.205 6.199 1.00 0.00 C ATOM 1305 C SER A 82 -10.827 8.305 5.984 1.00 0.00 C ATOM 1306 O SER A 82 -10.472 7.988 4.855 1.00 0.00 O ATOM 1307 CB SER A 82 -13.239 8.702 5.391 1.00 0.00 C ATOM 1308 OG SER A 82 -14.373 9.533 5.581 1.00 0.00 O ATOM 0 H SER A 82 -11.724 10.740 4.830 1.00 0.00 H new ATOM 0 HA SER A 82 -12.294 9.176 7.258 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.981 8.672 4.332 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.479 7.682 5.689 1.00 0.00 H new ATOM 0 HG SER A 82 -15.107 9.004 5.957 1.00 0.00 H new ATOM 1314 N GLU A 83 -10.187 7.910 7.067 1.00 0.00 N ATOM 1315 CA GLU A 83 -8.999 7.072 6.988 1.00 0.00 C ATOM 1316 C GLU A 83 -9.334 5.668 6.491 1.00 0.00 C ATOM 1317 O GLU A 83 -9.970 4.881 7.197 1.00 0.00 O ATOM 1318 CB GLU A 83 -8.310 6.999 8.350 1.00 0.00 C ATOM 1319 CG GLU A 83 -7.515 8.246 8.702 1.00 0.00 C ATOM 1320 CD GLU A 83 -8.376 9.475 8.878 1.00 0.00 C ATOM 1321 OE1 GLU A 83 -8.951 9.648 9.972 1.00 0.00 O ATOM 1322 OE2 GLU A 83 -8.468 10.277 7.927 1.00 0.00 O ATOM 0 H GLU A 83 -10.468 8.155 8.016 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.320 7.527 6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.063 6.830 9.119 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.642 6.138 8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.959 8.066 9.622 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.782 8.434 7.918 1.00 0.00 H new ATOM 1329 N PHE A 84 -8.916 5.372 5.264 1.00 0.00 N ATOM 1330 CA PHE A 84 -9.138 4.062 4.668 1.00 0.00 C ATOM 1331 C PHE A 84 -8.138 3.061 5.216 1.00 0.00 C ATOM 1332 O PHE A 84 -7.027 3.429 5.603 1.00 0.00 O ATOM 1333 CB PHE A 84 -9.046 4.131 3.142 1.00 0.00 C ATOM 1334 CG PHE A 84 -10.253 3.561 2.454 1.00 0.00 C ATOM 1335 CD1 PHE A 84 -11.438 4.269 2.437 1.00 0.00 C ATOM 1336 CD2 PHE A 84 -10.208 2.322 1.836 1.00 0.00 C ATOM 1337 CE1 PHE A 84 -12.560 3.764 1.821 1.00 0.00 C ATOM 1338 CE2 PHE A 84 -11.330 1.805 1.213 1.00 0.00 C ATOM 1339 CZ PHE A 84 -12.508 2.528 1.205 1.00 0.00 C ATOM 0 H PHE A 84 -8.419 6.027 4.661 1.00 0.00 H new ATOM 0 HA PHE A 84 -10.144 3.733 4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.918 5.170 2.838 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -8.158 3.591 2.812 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.485 5.236 2.916 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.289 1.755 1.841 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.479 4.332 1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -11.285 0.838 0.734 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.385 2.128 0.719 1.00 0.00 H new ATOM 1349 N TYR A 85 -8.532 1.802 5.237 1.00 0.00 N ATOM 1350 CA TYR A 85 -7.754 0.770 5.895 1.00 0.00 C ATOM 1351 C TYR A 85 -7.384 -0.339 4.914 1.00 0.00 C ATOM 1352 O TYR A 85 -8.221 -1.178 4.575 1.00 0.00 O ATOM 1353 CB TYR A 85 -8.575 0.198 7.053 1.00 0.00 C ATOM 1354 CG TYR A 85 -7.791 -0.664 8.017 1.00 0.00 C ATOM 1355 CD1 TYR A 85 -7.592 -2.018 7.776 1.00 0.00 C ATOM 1356 CD2 TYR A 85 -7.273 -0.122 9.183 1.00 0.00 C ATOM 1357 CE1 TYR A 85 -6.894 -2.803 8.673 1.00 0.00 C ATOM 1358 CE2 TYR A 85 -6.577 -0.900 10.084 1.00 0.00 C ATOM 1359 CZ TYR A 85 -6.388 -2.241 9.825 1.00 0.00 C ATOM 1360 OH TYR A 85 -5.701 -3.024 10.720 1.00 0.00 O ATOM 0 H TYR A 85 -9.392 1.468 4.803 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.828 1.203 6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.022 1.024 7.606 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.395 -0.392 6.643 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.988 -2.463 6.875 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -7.417 0.928 9.389 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -6.745 -3.854 8.472 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.182 -0.461 10.988 1.00 0.00 H new ATOM 0 HH TYR A 85 -5.253 -3.752 10.241 1.00 0.00 H new ATOM 1370 N ILE A 86 -6.142 -0.328 4.441 1.00 0.00 N ATOM 1371 CA ILE A 86 -5.664 -1.368 3.531 1.00 0.00 C ATOM 1372 C ILE A 86 -4.399 -2.010 4.101 1.00 0.00 C ATOM 1373 O ILE A 86 -3.327 -1.404 4.069 1.00 0.00 O ATOM 1374 CB ILE A 86 -5.330 -0.807 2.131 1.00 0.00 C ATOM 1375 CG1 ILE A 86 -6.411 0.163 1.639 1.00 0.00 C ATOM 1376 CG2 ILE A 86 -5.171 -1.954 1.143 1.00 0.00 C ATOM 1377 CD1 ILE A 86 -7.757 -0.483 1.395 1.00 0.00 C ATOM 0 H ILE A 86 -5.450 0.385 4.670 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.466 -2.100 3.432 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.394 -0.252 2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.530 0.960 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.071 0.630 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.935 -1.555 0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.364 -2.608 1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.100 -2.522 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.465 0.270 1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.656 -1.260 0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.122 -0.925 2.322 1.00 0.00 H new ATOM 1389 N GLU A 87 -4.524 -3.213 4.650 1.00 0.00 N ATOM 1390 CA GLU A 87 -3.359 -3.921 5.167 1.00 0.00 C ATOM 1391 C GLU A 87 -3.050 -5.154 4.330 1.00 0.00 C ATOM 1392 O GLU A 87 -3.640 -6.220 4.511 1.00 0.00 O ATOM 1393 CB GLU A 87 -3.529 -4.298 6.642 1.00 0.00 C ATOM 1394 CG GLU A 87 -4.800 -5.065 6.966 1.00 0.00 C ATOM 1395 CD GLU A 87 -4.737 -5.703 8.337 1.00 0.00 C ATOM 1396 OE1 GLU A 87 -4.557 -4.970 9.338 1.00 0.00 O ATOM 1397 OE2 GLU A 87 -4.834 -6.942 8.424 1.00 0.00 O ATOM 0 H GLU A 87 -5.408 -3.713 4.748 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.513 -3.238 5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.672 -4.898 6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.510 -3.386 7.239 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.654 -4.390 6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.961 -5.837 6.213 1.00 0.00 H new ATOM 1404 N ILE A 88 -2.119 -4.998 3.411 1.00 0.00 N ATOM 1405 CA ILE A 88 -1.763 -6.067 2.502 1.00 0.00 C ATOM 1406 C ILE A 88 -0.710 -6.963 3.120 1.00 0.00 C ATOM 1407 O ILE A 88 0.371 -6.511 3.498 1.00 0.00 O ATOM 1408 CB ILE A 88 -1.237 -5.516 1.167 1.00 0.00 C ATOM 1409 CG1 ILE A 88 -2.210 -4.478 0.615 1.00 0.00 C ATOM 1410 CG2 ILE A 88 -1.031 -6.647 0.168 1.00 0.00 C ATOM 1411 CD1 ILE A 88 -1.792 -3.903 -0.711 1.00 0.00 C ATOM 0 H ILE A 88 -1.593 -4.135 3.274 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.668 -6.644 2.311 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.273 -5.036 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.194 -4.935 0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.311 -3.668 1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.658 -6.239 -0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.308 -7.358 0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.979 -7.155 -0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.531 -3.173 -1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.822 -3.416 -0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.719 -4.703 -1.448 1.00 0.00 H new ATOM 1423 N THR A 89 -1.050 -8.223 3.236 1.00 0.00 N ATOM 1424 CA THR A 89 -0.144 -9.213 3.766 1.00 0.00 C ATOM 1425 C THR A 89 0.590 -9.937 2.648 1.00 0.00 C ATOM 1426 O THR A 89 0.103 -10.012 1.517 1.00 0.00 O ATOM 1427 CB THR A 89 -0.915 -10.231 4.618 1.00 0.00 C ATOM 1428 OG1 THR A 89 -2.222 -10.406 4.066 1.00 0.00 O ATOM 1429 CG2 THR A 89 -1.025 -9.772 6.062 1.00 0.00 C ATOM 0 H THR A 89 -1.962 -8.591 2.966 1.00 0.00 H new ATOM 0 HA THR A 89 0.590 -8.699 4.387 1.00 0.00 H new ATOM 0 HB THR A 89 -0.372 -11.176 4.607 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.851 -10.638 4.781 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.576 -10.515 6.639 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.027 -9.653 6.483 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.551 -8.818 6.102 1.00 0.00 H new ATOM 1437 N GLU A 90 1.772 -10.439 2.968 1.00 0.00 N ATOM 1438 CA GLU A 90 2.532 -11.269 2.051 1.00 0.00 C ATOM 1439 C GLU A 90 1.666 -12.435 1.579 1.00 0.00 C ATOM 1440 O GLU A 90 0.946 -13.035 2.380 1.00 0.00 O ATOM 1441 CB GLU A 90 3.798 -11.764 2.752 1.00 0.00 C ATOM 1442 CG GLU A 90 4.800 -12.435 1.832 1.00 0.00 C ATOM 1443 CD GLU A 90 6.134 -12.661 2.512 1.00 0.00 C ATOM 1444 OE1 GLU A 90 6.416 -11.973 3.514 1.00 0.00 O ATOM 1445 OE2 GLU A 90 6.916 -13.507 2.035 1.00 0.00 O ATOM 0 H GLU A 90 2.229 -10.283 3.867 1.00 0.00 H new ATOM 0 HA GLU A 90 2.827 -10.691 1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.282 -10.919 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.514 -12.467 3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.399 -13.391 1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.946 -11.819 0.944 1.00 0.00 H new ATOM 1452 N ILE A 91 1.741 -12.728 0.286 1.00 0.00 N ATOM 1453 CA ILE A 91 0.842 -13.684 -0.360 1.00 0.00 C ATOM 1454 C ILE A 91 0.883 -15.067 0.294 1.00 0.00 C ATOM 1455 O ILE A 91 1.943 -15.551 0.703 1.00 0.00 O ATOM 1456 CB ILE A 91 1.170 -13.813 -1.867 1.00 0.00 C ATOM 1457 CG1 ILE A 91 0.187 -14.767 -2.554 1.00 0.00 C ATOM 1458 CG2 ILE A 91 2.609 -14.276 -2.071 1.00 0.00 C ATOM 1459 CD1 ILE A 91 0.450 -14.961 -4.032 1.00 0.00 C ATOM 0 H ILE A 91 2.425 -12.311 -0.346 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.167 -13.290 -0.236 1.00 0.00 H new ATOM 0 HB ILE A 91 1.065 -12.829 -2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.230 -15.736 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.826 -14.386 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.817 -14.359 -3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.291 -13.552 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.749 -15.247 -1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.287 -15.649 -4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.378 -14.001 -4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.449 -15.373 -4.173 1.00 0.00 H new ATOM 1471 N ASP A 92 -0.289 -15.685 0.398 1.00 0.00 N ATOM 1472 CA ASP A 92 -0.416 -17.035 0.925 1.00 0.00 C ATOM 1473 C ASP A 92 -0.993 -17.945 -0.158 1.00 0.00 C ATOM 1474 O ASP A 92 -0.825 -17.686 -1.351 1.00 0.00 O ATOM 1475 CB ASP A 92 -1.311 -17.054 2.178 1.00 0.00 C ATOM 1476 CG ASP A 92 -0.648 -16.428 3.389 1.00 0.00 C ATOM 1477 OD1 ASP A 92 0.485 -16.832 3.730 1.00 0.00 O ATOM 1478 OD2 ASP A 92 -1.262 -15.544 4.026 1.00 0.00 O ATOM 0 H ASP A 92 -1.175 -15.263 0.119 1.00 0.00 H new ATOM 0 HA ASP A 92 0.570 -17.397 1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -2.238 -16.523 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.580 -18.084 2.410 1.00 0.00 H new ATOM 1483 N LYS A 93 -1.659 -19.016 0.247 1.00 0.00 N ATOM 1484 CA LYS A 93 -2.259 -19.948 -0.699 1.00 0.00 C ATOM 1485 C LYS A 93 -3.726 -19.607 -0.916 1.00 0.00 C ATOM 1486 O LYS A 93 -4.503 -20.406 -1.435 1.00 0.00 O ATOM 1487 CB LYS A 93 -2.124 -21.372 -0.168 1.00 0.00 C ATOM 1488 CG LYS A 93 -0.697 -21.747 0.205 1.00 0.00 C ATOM 1489 CD LYS A 93 -0.632 -23.092 0.909 1.00 0.00 C ATOM 1490 CE LYS A 93 0.754 -23.354 1.478 1.00 0.00 C ATOM 1491 NZ LYS A 93 0.793 -24.595 2.296 1.00 0.00 N ATOM 0 H LYS A 93 -1.798 -19.263 1.227 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.740 -19.870 -1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.762 -21.487 0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.489 -22.069 -0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.082 -21.778 -0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.276 -20.977 0.852 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.368 -23.120 1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.895 -23.884 0.208 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.472 -23.435 0.662 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.061 -22.506 2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.755 -24.737 2.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.127 -24.509 3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.525 -25.408 1.706 1.00 0.00 H new ATOM 1505 N ASN A 94 -4.079 -18.402 -0.518 1.00 0.00 N ATOM 1506 CA ASN A 94 -5.448 -17.920 -0.599 1.00 0.00 C ATOM 1507 C ASN A 94 -5.725 -17.352 -1.981 1.00 0.00 C ATOM 1508 O ASN A 94 -6.819 -17.514 -2.525 1.00 0.00 O ATOM 1509 CB ASN A 94 -5.677 -16.813 0.426 1.00 0.00 C ATOM 1510 CG ASN A 94 -5.255 -17.181 1.831 1.00 0.00 C ATOM 1511 OD1 ASN A 94 -5.403 -18.324 2.270 1.00 0.00 O ATOM 1512 ND2 ASN A 94 -4.693 -16.213 2.532 1.00 0.00 N ATOM 0 H ASN A 94 -3.424 -17.725 -0.127 1.00 0.00 H new ATOM 0 HA ASN A 94 -6.114 -18.759 -0.400 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -5.129 -15.924 0.114 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -6.735 -16.550 0.432 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -4.360 -16.396 3.479 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -4.592 -15.282 2.127 1.00 0.00 H new ATOM 1519 N ALA A 95 -4.716 -16.671 -2.526 1.00 0.00 N ATOM 1520 CA ALA A 95 -4.822 -15.984 -3.811 1.00 0.00 C ATOM 1521 C ALA A 95 -5.359 -16.891 -4.916 1.00 0.00 C ATOM 1522 O ALA A 95 -6.128 -16.448 -5.774 1.00 0.00 O ATOM 1523 CB ALA A 95 -3.466 -15.420 -4.207 1.00 0.00 C ATOM 0 H ALA A 95 -3.800 -16.581 -2.086 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.539 -15.172 -3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.551 -14.909 -5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.130 -14.714 -3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.745 -16.233 -4.292 1.00 0.00 H new ATOM 1529 N ASP A 96 -4.963 -18.155 -4.900 1.00 0.00 N ATOM 1530 CA ASP A 96 -5.408 -19.085 -5.922 1.00 0.00 C ATOM 1531 C ASP A 96 -6.280 -20.181 -5.333 1.00 0.00 C ATOM 1532 O ASP A 96 -6.224 -20.480 -4.140 1.00 0.00 O ATOM 1533 CB ASP A 96 -4.228 -19.701 -6.681 1.00 0.00 C ATOM 1534 CG ASP A 96 -4.674 -20.672 -7.760 1.00 0.00 C ATOM 1535 OD1 ASP A 96 -5.590 -20.320 -8.538 1.00 0.00 O ATOM 1536 OD2 ASP A 96 -4.127 -21.791 -7.829 1.00 0.00 O ATOM 0 H ASP A 96 -4.341 -18.555 -4.198 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.005 -18.511 -6.631 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.637 -18.905 -7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.578 -20.219 -5.976 1.00 0.00 H new ATOM 1541 N SER A 97 -7.053 -20.781 -6.214 1.00 0.00 N ATOM 1542 CA SER A 97 -8.046 -21.777 -5.886 1.00 0.00 C ATOM 1543 C SER A 97 -8.785 -22.091 -7.166 1.00 0.00 C ATOM 1544 O SER A 97 -9.841 -22.726 -7.162 1.00 0.00 O ATOM 1545 CB SER A 97 -9.017 -21.257 -4.821 1.00 0.00 C ATOM 1546 OG SER A 97 -9.950 -22.256 -4.437 1.00 0.00 O ATOM 0 H SER A 97 -7.004 -20.580 -7.213 1.00 0.00 H new ATOM 0 HA SER A 97 -7.573 -22.669 -5.474 1.00 0.00 H new ATOM 0 HB2 SER A 97 -8.457 -20.925 -3.947 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.550 -20.388 -5.206 1.00 0.00 H new ATOM 0 HG SER A 97 -10.223 -22.769 -5.226 1.00 0.00 H new ATOM 1552 N LEU A 98 -8.180 -21.636 -8.263 1.00 0.00 N ATOM 1553 CA LEU A 98 -8.767 -21.724 -9.582 1.00 0.00 C ATOM 1554 C LEU A 98 -10.152 -21.083 -9.581 1.00 0.00 C ATOM 1555 O LEU A 98 -11.169 -21.758 -9.752 1.00 0.00 O ATOM 1556 CB LEU A 98 -8.812 -23.181 -10.011 1.00 0.00 C ATOM 1557 CG LEU A 98 -9.160 -23.433 -11.480 1.00 0.00 C ATOM 1558 CD1 LEU A 98 -8.117 -22.805 -12.395 1.00 0.00 C ATOM 1559 CD2 LEU A 98 -9.279 -24.927 -11.746 1.00 0.00 C ATOM 0 H LEU A 98 -7.261 -21.194 -8.251 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.159 -21.177 -10.303 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.841 -23.631 -9.805 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.542 -23.700 -9.390 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.122 -22.966 -11.692 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.383 -22.996 -13.435 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.081 -21.730 -12.221 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.140 -23.240 -12.185 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.527 -25.091 -12.795 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.331 -25.414 -11.517 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.064 -25.347 -11.118 1.00 0.00 H new ATOM 1571 N GLU A 99 -10.169 -19.770 -9.363 1.00 0.00 N ATOM 1572 CA GLU A 99 -11.414 -19.021 -9.243 1.00 0.00 C ATOM 1573 C GLU A 99 -12.261 -19.155 -10.504 1.00 0.00 C ATOM 1574 O GLU A 99 -11.743 -19.109 -11.621 1.00 0.00 O ATOM 1575 CB GLU A 99 -11.127 -17.544 -8.936 1.00 0.00 C ATOM 1576 CG GLU A 99 -10.190 -16.872 -9.928 1.00 0.00 C ATOM 1577 CD GLU A 99 -9.891 -15.431 -9.570 1.00 0.00 C ATOM 1578 OE1 GLU A 99 -8.999 -15.198 -8.729 1.00 0.00 O ATOM 1579 OE2 GLU A 99 -10.535 -14.522 -10.139 1.00 0.00 O ATOM 0 H GLU A 99 -9.328 -19.201 -9.266 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.982 -19.442 -8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.070 -16.998 -8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -10.696 -17.469 -7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -9.256 -17.431 -9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -10.634 -16.910 -10.923 1.00 0.00 H new ATOM 1586 N HIS A 100 -13.562 -19.342 -10.302 1.00 0.00 N ATOM 1587 CA HIS A 100 -14.522 -19.518 -11.394 1.00 0.00 C ATOM 1588 C HIS A 100 -14.164 -20.749 -12.218 1.00 0.00 C ATOM 1589 O HIS A 100 -13.670 -20.634 -13.344 1.00 0.00 O ATOM 1590 CB HIS A 100 -14.596 -18.280 -12.305 1.00 0.00 C ATOM 1591 CG HIS A 100 -14.827 -16.989 -11.578 1.00 0.00 C ATOM 1592 ND1 HIS A 100 -15.966 -16.719 -10.851 1.00 0.00 N ATOM 1593 CD2 HIS A 100 -14.048 -15.889 -11.470 1.00 0.00 C ATOM 1594 CE1 HIS A 100 -15.874 -15.512 -10.325 1.00 0.00 C ATOM 1595 NE2 HIS A 100 -14.720 -14.986 -10.685 1.00 0.00 N ATOM 0 H HIS A 100 -13.984 -19.376 -9.374 1.00 0.00 H new ATOM 0 HA HIS A 100 -15.505 -19.654 -10.942 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.667 -18.204 -12.870 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -15.398 -18.424 -13.029 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -13.076 -15.747 -11.919 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -16.618 -15.036 -9.704 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -14.382 -14.060 -10.423 1.00 0.00 H new ATOM 1604 N HIS A 101 -14.389 -21.925 -11.639 1.00 0.00 N ATOM 1605 CA HIS A 101 -14.085 -23.191 -12.302 1.00 0.00 C ATOM 1606 C HIS A 101 -14.826 -23.269 -13.631 1.00 0.00 C ATOM 1607 O HIS A 101 -14.267 -23.681 -14.646 1.00 0.00 O ATOM 1608 CB HIS A 101 -14.476 -24.364 -11.401 1.00 0.00 C ATOM 1609 CG HIS A 101 -13.896 -25.677 -11.826 1.00 0.00 C ATOM 1610 ND1 HIS A 101 -14.585 -26.866 -11.736 1.00 0.00 N ATOM 1611 CD2 HIS A 101 -12.670 -25.989 -12.308 1.00 0.00 C ATOM 1612 CE1 HIS A 101 -13.809 -27.850 -12.149 1.00 0.00 C ATOM 1613 NE2 HIS A 101 -12.644 -27.345 -12.501 1.00 0.00 N ATOM 0 H HIS A 101 -14.784 -22.028 -10.704 1.00 0.00 H new ATOM 0 HA HIS A 101 -13.013 -23.246 -12.494 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -14.154 -24.149 -10.382 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -15.563 -24.448 -11.381 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.863 -25.298 -12.504 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -14.083 -28.894 -12.191 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -11.851 -27.877 -12.859 1.00 0.00 H new ATOM 1622 N HIS A 102 -16.090 -22.882 -13.606 1.00 0.00 N ATOM 1623 CA HIS A 102 -16.843 -22.644 -14.826 1.00 0.00 C ATOM 1624 C HIS A 102 -17.000 -21.141 -14.996 1.00 0.00 C ATOM 1625 O HIS A 102 -17.030 -20.413 -14.003 1.00 0.00 O ATOM 1626 CB HIS A 102 -18.218 -23.331 -14.786 1.00 0.00 C ATOM 1627 CG HIS A 102 -18.159 -24.824 -14.939 1.00 0.00 C ATOM 1628 ND1 HIS A 102 -19.058 -25.542 -15.702 1.00 0.00 N ATOM 1629 CD2 HIS A 102 -17.312 -25.739 -14.409 1.00 0.00 C ATOM 1630 CE1 HIS A 102 -18.762 -26.826 -15.638 1.00 0.00 C ATOM 1631 NE2 HIS A 102 -17.708 -26.972 -14.861 1.00 0.00 N ATOM 0 H HIS A 102 -16.619 -22.725 -12.748 1.00 0.00 H new ATOM 0 HA HIS A 102 -16.304 -23.069 -15.673 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -18.705 -23.092 -13.841 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -18.842 -22.919 -15.579 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -16.479 -25.535 -13.752 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -19.293 -27.622 -16.138 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -17.259 -27.859 -14.632 1.00 0.00 H new ATOM 1640 N HIS A 103 -17.078 -20.675 -16.234 1.00 0.00 N ATOM 1641 CA HIS A 103 -17.147 -19.241 -16.504 1.00 0.00 C ATOM 1642 C HIS A 103 -18.424 -18.638 -15.919 1.00 0.00 C ATOM 1643 O HIS A 103 -18.377 -17.983 -14.880 1.00 0.00 O ATOM 1644 CB HIS A 103 -17.056 -18.965 -18.009 1.00 0.00 C ATOM 1645 CG HIS A 103 -17.034 -17.504 -18.359 1.00 0.00 C ATOM 1646 ND1 HIS A 103 -17.958 -16.917 -19.192 1.00 0.00 N ATOM 1647 CD2 HIS A 103 -16.192 -16.509 -17.981 1.00 0.00 C ATOM 1648 CE1 HIS A 103 -17.689 -15.632 -19.313 1.00 0.00 C ATOM 1649 NE2 HIS A 103 -16.623 -15.357 -18.588 1.00 0.00 N ATOM 0 H HIS A 103 -17.095 -21.264 -17.067 1.00 0.00 H new ATOM 0 HA HIS A 103 -16.295 -18.765 -16.019 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -16.155 -19.436 -18.401 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -17.904 -19.435 -18.507 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -15.340 -16.606 -17.324 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -18.248 -14.924 -19.906 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -16.190 -14.438 -18.494 1.00 0.00 H new ATOM 1658 N HIS A 104 -19.559 -18.874 -16.580 1.00 0.00 N ATOM 1659 CA HIS A 104 -20.846 -18.365 -16.110 1.00 0.00 C ATOM 1660 C HIS A 104 -21.942 -18.694 -17.115 1.00 0.00 C ATOM 1661 O HIS A 104 -21.747 -18.563 -18.323 1.00 0.00 O ATOM 1662 CB HIS A 104 -20.802 -16.846 -15.894 1.00 0.00 C ATOM 1663 CG HIS A 104 -21.919 -16.336 -15.036 1.00 0.00 C ATOM 1664 ND1 HIS A 104 -23.096 -15.831 -15.544 1.00 0.00 N ATOM 1665 CD2 HIS A 104 -22.029 -16.260 -13.691 1.00 0.00 C ATOM 1666 CE1 HIS A 104 -23.883 -15.472 -14.546 1.00 0.00 C ATOM 1667 NE2 HIS A 104 -23.258 -15.723 -13.412 1.00 0.00 N ATOM 0 H HIS A 104 -19.611 -19.415 -17.443 1.00 0.00 H new ATOM 0 HA HIS A 104 -21.061 -18.847 -15.157 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -19.850 -16.579 -15.435 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -20.840 -16.347 -16.862 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -21.286 -16.566 -12.970 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -24.871 -15.045 -14.642 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -23.629 -15.546 -12.479 1.00 0.00 H new ATOM 1676 N HIS A 105 -23.082 -19.128 -16.619 1.00 0.00 N ATOM 1677 CA HIS A 105 -24.242 -19.364 -17.464 1.00 0.00 C ATOM 1678 C HIS A 105 -25.510 -19.131 -16.661 1.00 0.00 C ATOM 1679 O HIS A 105 -25.802 -19.949 -15.769 1.00 0.00 O ATOM 1680 CB HIS A 105 -24.231 -20.783 -18.042 1.00 0.00 C ATOM 1681 CG HIS A 105 -25.244 -20.988 -19.127 1.00 0.00 C ATOM 1682 ND1 HIS A 105 -26.365 -21.776 -18.982 1.00 0.00 N ATOM 1683 CD2 HIS A 105 -25.295 -20.496 -20.388 1.00 0.00 C ATOM 1684 CE1 HIS A 105 -27.059 -21.761 -20.104 1.00 0.00 C ATOM 1685 NE2 HIS A 105 -26.431 -20.993 -20.970 1.00 0.00 N ATOM 1686 OXT HIS A 105 -26.195 -18.124 -16.914 1.00 0.00 O ATOM 0 H HIS A 105 -23.234 -19.326 -15.630 1.00 0.00 H new ATOM 0 HA HIS A 105 -24.208 -18.667 -18.301 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -23.238 -21.000 -18.436 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -24.419 -21.496 -17.240 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -24.575 -19.836 -20.848 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -27.984 -22.289 -20.282 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -26.741 -20.799 -21.922 1.00 0.00 H new TER 1695 HIS A 105