USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1087 hydrogens (9 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 512 PTR HN2 : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD NoAdj-H: B 512 PTR H : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD Set 1.1: A 69 SER OG : rot -70:sc= 2.27 USER MOD Set 1.2: B 501 MET CE :methyl 150:sc= -1.57! (180deg=-2.62!) USER MOD Set 1.3: B 502 THR OG1 : rot -129:sc= 0.929 USER MOD Set 2.1: A 76 SER OG : rot 152:sc= 0.784 USER MOD Set 2.2: A 80 CYS SG : rot -177:sc= 0.956 USER MOD Set 3.1: A 43 THR OG1 : rot -110:sc= 0 USER MOD Set 3.2: A 58 HIS : no HE2:sc= -5.09! C(o=-5.1!,f=-13!) USER MOD Set 4.1: A 54 SER OG : rot 34:sc= 0.609 USER MOD Set 4.2: A 56 LYS NZ :NH3+ -114:sc= 0.0584 (180deg=-1.94!) USER MOD Single : A 8 SER OG : rot 18:sc= 0.364 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 10 MET CE :methyl 162:sc= -0.159 (180deg=-0.595) USER MOD Single : A 12 THR OG1 : rot -152:sc= -3.35! USER MOD Single : A 16 ASN : amide:sc= -0.244 K(o=-0.24,f=-3.1!) USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.215 F(o=-1.6,f=-0.21) USER MOD Single : A 19 ASN : amide:sc= -0.961 K(o=-0.96,f=-3.8) USER MOD Single : A 20 LYS NZ :NH3+ 158:sc= -0.13 (180deg=-0.525) USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= -0.0388 (180deg=-0.285) USER MOD Single : A 25 ASN : amide:sc= 0.474 K(o=0.47,f=-0.29) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.871 F(o=-1.4!,f=-0.87) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 159:sc= -9.26! (180deg=-12.5!) USER MOD Single : A 41 THR OG1 : rot -73:sc= 1.23 USER MOD Single : A 48 TYR OH : rot 32:sc= 1.29 USER MOD Single : A 49 THR OG1 : rot -76:sc= -1.83! USER MOD Single : A 51 LYS NZ :NH3+ 137:sc= 0.153 (180deg=-0.98) USER MOD Single : A 59 TYR OH : rot 76:sc= -1.79! USER MOD Single : A 61 CYS SG : rot 180:sc= -7.46! USER MOD Single : A 65 TYR OH : rot -85:sc= 0.152 USER MOD Single : A 67 TYR OH : rot 78:sc= 1.21 USER MOD Single : A 70 ASN : amide:sc= -1.12 K(o=-1.1,f=-1.7) USER MOD Single : A 73 SER OG : rot 60:sc= -3.55! USER MOD Single : A 81 GLN : amide:sc= -2.72! C(o=-2.7!,f=-5!) USER MOD Single : A 82 THR OG1 : rot -29:sc= 0.958 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 90 LYS NZ :NH3+ 175:sc= -1.3 (180deg=-1.49) USER MOD Single : A 91 CYS SG : rot -169:sc= -15.9! USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 MET CE :methyl -177:sc= -6.26! (180deg=-6.41!) USER MOD Single : A 102 GLN : amide:sc= -7.39! C(o=-7.4!,f=-11!) USER MOD Single : A 105 MET CE :methyl -118:sc= -4.83! (180deg=-9.8!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.18 F(o=-3.3!,f=-0.18) USER MOD Single : A 107 ASN : amide:sc= 1.17 K(o=1.2,f=-0.81) USER MOD Single : A 108 ASN :FLIP amide:sc= -4.42! C(o=-5.4!,f=-4.4!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.5!) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 503 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0221) USER MOD Single : B 509 ASN : amide:sc= -2.94! C(o=-2.9!,f=-3.5!) USER MOD Single : B 511 GLN : amide:sc= -2.98 K(o=-3,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 9.220 12.930 -7.070 1.00 0.00 N ATOM 2 CA SER A 8 10.247 13.189 -6.039 1.00 0.00 C ATOM 3 C SER A 8 9.602 13.559 -4.704 1.00 0.00 C ATOM 4 O SER A 8 9.657 12.790 -3.745 1.00 0.00 O ATOM 5 CB SER A 8 11.160 14.322 -6.504 1.00 0.00 C ATOM 6 OG SER A 8 11.469 14.189 -7.878 1.00 0.00 O ATOM 0 HA SER A 8 10.831 12.280 -5.895 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.674 15.282 -6.328 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.079 14.318 -5.918 1.00 0.00 H new ATOM 0 HG SER A 8 10.822 13.587 -8.302 1.00 0.00 H new ATOM 14 N HIS A 9 8.981 14.736 -4.646 1.00 0.00 N ATOM 15 CA HIS A 9 8.359 15.214 -3.416 1.00 0.00 C ATOM 16 C HIS A 9 7.059 15.950 -3.708 1.00 0.00 C ATOM 17 O HIS A 9 6.735 16.941 -3.058 1.00 0.00 O ATOM 18 CB HIS A 9 9.314 16.112 -2.624 1.00 0.00 C ATOM 19 CG HIS A 9 9.837 17.303 -3.376 1.00 0.00 C ATOM 20 ND1 HIS A 9 9.254 18.552 -3.320 1.00 0.00 N ATOM 21 CD2 HIS A 9 10.907 17.430 -4.196 1.00 0.00 C ATOM 22 CE1 HIS A 9 9.941 19.391 -4.071 1.00 0.00 C ATOM 23 NE2 HIS A 9 10.948 18.736 -4.613 1.00 0.00 N ATOM 0 H HIS A 9 8.896 15.375 -5.437 1.00 0.00 H new ATOM 0 HA HIS A 9 8.128 14.340 -2.806 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.800 16.463 -1.729 1.00 0.00 H new ATOM 0 HB3 HIS A 9 10.160 15.512 -2.290 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.600 16.648 -4.471 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.716 20.437 -4.217 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.645 19.136 -5.241 1.00 0.00 H new ATOM 32 N MET A 10 6.312 15.449 -4.676 1.00 0.00 N ATOM 33 CA MET A 10 5.047 16.056 -5.062 1.00 0.00 C ATOM 34 C MET A 10 3.894 15.303 -4.425 1.00 0.00 C ATOM 35 O MET A 10 3.071 15.878 -3.712 1.00 0.00 O ATOM 36 CB MET A 10 4.877 16.033 -6.579 1.00 0.00 C ATOM 37 CG MET A 10 3.618 16.744 -7.046 1.00 0.00 C ATOM 38 SD MET A 10 3.064 16.199 -8.673 1.00 0.00 S ATOM 39 CE MET A 10 2.525 14.530 -8.305 1.00 0.00 C ATOM 0 H MET A 10 6.560 14.618 -5.213 1.00 0.00 H new ATOM 0 HA MET A 10 5.049 17.090 -4.718 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.745 16.501 -7.044 1.00 0.00 H new ATOM 0 HB3 MET A 10 4.851 14.998 -6.921 1.00 0.00 H new ATOM 0 HG2 MET A 10 2.822 16.574 -6.321 1.00 0.00 H new ATOM 0 HG3 MET A 10 3.802 17.818 -7.072 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.875 14.173 -9.104 1.00 0.00 H new ATOM 0 HE2 MET A 10 3.394 13.876 -8.225 1.00 0.00 H new ATOM 0 HE3 MET A 10 1.979 14.524 -7.362 1.00 0.00 H new ATOM 49 N ASP A 11 3.853 14.007 -4.686 1.00 0.00 N ATOM 50 CA ASP A 11 2.782 13.158 -4.193 1.00 0.00 C ATOM 51 C ASP A 11 3.177 12.530 -2.866 1.00 0.00 C ATOM 52 O ASP A 11 2.333 12.008 -2.139 1.00 0.00 O ATOM 53 CB ASP A 11 2.418 12.084 -5.224 1.00 0.00 C ATOM 54 CG ASP A 11 3.560 11.137 -5.547 1.00 0.00 C ATOM 55 OD1 ASP A 11 4.714 11.602 -5.663 1.00 0.00 O ATOM 56 OD2 ASP A 11 3.298 9.935 -5.732 1.00 0.00 O ATOM 0 H ASP A 11 4.555 13.517 -5.241 1.00 0.00 H new ATOM 0 HA ASP A 11 1.898 13.774 -4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.573 11.506 -4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.090 12.571 -6.143 1.00 0.00 H new ATOM 61 N THR A 12 4.464 12.607 -2.542 1.00 0.00 N ATOM 62 CA THR A 12 4.949 12.201 -1.234 1.00 0.00 C ATOM 63 C THR A 12 4.658 13.314 -0.228 1.00 0.00 C ATOM 64 O THR A 12 5.558 13.879 0.395 1.00 0.00 O ATOM 65 CB THR A 12 6.457 11.889 -1.279 1.00 0.00 C ATOM 66 OG1 THR A 12 7.158 12.931 -1.964 1.00 0.00 O ATOM 67 CG2 THR A 12 6.716 10.569 -1.971 1.00 0.00 C ATOM 0 H THR A 12 5.190 12.949 -3.172 1.00 0.00 H new ATOM 0 HA THR A 12 4.435 11.290 -0.927 1.00 0.00 H new ATOM 0 HB THR A 12 6.817 11.823 -0.252 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.965 12.563 -2.381 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.788 10.372 -1.990 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.209 9.769 -1.431 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.337 10.613 -2.992 1.00 0.00 H new ATOM 75 N VAL A 13 3.374 13.590 -0.075 1.00 0.00 N ATOM 76 CA VAL A 13 2.884 14.786 0.589 1.00 0.00 C ATOM 77 C VAL A 13 2.974 14.703 2.119 1.00 0.00 C ATOM 78 O VAL A 13 2.997 13.614 2.694 1.00 0.00 O ATOM 79 CB VAL A 13 1.436 15.052 0.124 1.00 0.00 C ATOM 80 CG1 VAL A 13 0.441 14.918 1.262 1.00 0.00 C ATOM 81 CG2 VAL A 13 1.320 16.406 -0.561 1.00 0.00 C ATOM 0 H VAL A 13 2.631 12.979 -0.414 1.00 0.00 H new ATOM 0 HA VAL A 13 3.526 15.621 0.306 1.00 0.00 H new ATOM 0 HB VAL A 13 1.185 14.285 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.565 15.113 0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.488 13.908 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.685 15.636 2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.289 16.566 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.612 17.192 0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.975 16.431 -1.432 1.00 0.00 H new ATOM 91 N PRO A 14 3.042 15.874 2.772 1.00 0.00 N ATOM 92 CA PRO A 14 3.215 16.008 4.226 1.00 0.00 C ATOM 93 C PRO A 14 2.238 15.178 5.068 1.00 0.00 C ATOM 94 O PRO A 14 2.645 14.208 5.703 1.00 0.00 O ATOM 95 CB PRO A 14 2.997 17.503 4.468 1.00 0.00 C ATOM 96 CG PRO A 14 3.362 18.151 3.178 1.00 0.00 C ATOM 97 CD PRO A 14 2.984 17.182 2.110 1.00 0.00 C ATOM 0 HA PRO A 14 4.191 15.633 4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.962 17.714 4.738 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.620 17.867 5.285 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.833 19.096 3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.428 18.375 3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.987 17.387 1.721 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.672 17.232 1.266 1.00 0.00 H new ATOM 105 N ASP A 15 0.957 15.552 5.088 1.00 0.00 N ATOM 106 CA ASP A 15 0.005 14.886 5.979 1.00 0.00 C ATOM 107 C ASP A 15 -1.347 14.626 5.312 1.00 0.00 C ATOM 108 O ASP A 15 -1.974 13.598 5.561 1.00 0.00 O ATOM 109 CB ASP A 15 -0.206 15.706 7.257 1.00 0.00 C ATOM 110 CG ASP A 15 -1.084 16.919 7.041 1.00 0.00 C ATOM 111 OD1 ASP A 15 -0.661 17.848 6.324 1.00 0.00 O ATOM 112 OD2 ASP A 15 -2.206 16.951 7.587 1.00 0.00 O ATOM 0 H ASP A 15 0.561 16.295 4.512 1.00 0.00 H new ATOM 0 HA ASP A 15 0.443 13.919 6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.655 15.070 8.020 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.762 16.028 7.640 1.00 0.00 H new ATOM 117 N ASN A 16 -1.818 15.558 4.494 1.00 0.00 N ATOM 118 CA ASN A 16 -3.102 15.379 3.826 1.00 0.00 C ATOM 119 C ASN A 16 -2.949 15.492 2.314 1.00 0.00 C ATOM 120 O ASN A 16 -2.467 14.559 1.686 1.00 0.00 O ATOM 121 CB ASN A 16 -4.124 16.378 4.358 1.00 0.00 C ATOM 122 CG ASN A 16 -5.553 16.059 3.952 1.00 0.00 C ATOM 123 OD1 ASN A 16 -5.808 15.482 2.893 1.00 0.00 O ATOM 124 ND2 ASN A 16 -6.497 16.428 4.801 1.00 0.00 N ATOM 0 H ASN A 16 -1.340 16.433 4.279 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.468 14.376 4.044 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.061 16.405 5.446 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.867 17.375 3.999 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.476 16.237 4.589 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.246 16.904 5.668 1.00 0.00 H new ATOM 131 N HIS A 17 -3.348 16.640 1.751 1.00 0.00 N ATOM 132 CA HIS A 17 -3.226 16.941 0.317 1.00 0.00 C ATOM 133 C HIS A 17 -3.529 15.734 -0.578 1.00 0.00 C ATOM 134 O HIS A 17 -4.681 15.482 -0.918 1.00 0.00 O ATOM 135 CB HIS A 17 -1.852 17.498 -0.020 1.00 0.00 C ATOM 136 CG HIS A 17 -1.326 18.506 0.955 1.00 0.00 C ATOM 137 ND1 HIS A 17 -0.371 18.389 1.907 1.00 0.00 N flip ATOM 138 CD2 HIS A 17 -1.774 19.802 1.023 1.00 0.00 C flip ATOM 139 CE1 HIS A 17 -0.262 19.608 2.526 1.00 0.00 C flip ATOM 140 NE2 HIS A 17 -1.119 20.443 1.972 1.00 0.00 N flip ATOM 0 H HIS A 17 -3.771 17.398 2.287 1.00 0.00 H new ATOM 0 HA HIS A 17 -3.981 17.700 0.111 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.145 16.670 -0.082 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.894 17.956 -1.008 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.543 20.230 0.397 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.414 19.845 3.334 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.253 21.420 2.233 1.00 0.00 H new ATOM 149 N ARG A 18 -2.487 14.984 -0.935 1.00 0.00 N ATOM 150 CA ARG A 18 -2.607 13.851 -1.846 1.00 0.00 C ATOM 151 C ARG A 18 -2.525 12.515 -1.117 1.00 0.00 C ATOM 152 O ARG A 18 -3.164 11.560 -1.517 1.00 0.00 O ATOM 153 CB ARG A 18 -1.500 13.906 -2.896 1.00 0.00 C ATOM 154 CG ARG A 18 -1.610 12.808 -3.938 1.00 0.00 C ATOM 155 CD ARG A 18 -2.618 13.120 -5.031 1.00 0.00 C ATOM 156 NE ARG A 18 -3.966 13.402 -4.534 1.00 0.00 N ATOM 157 CZ ARG A 18 -4.951 13.892 -5.290 1.00 0.00 C ATOM 158 NH1 ARG A 18 -4.759 14.125 -6.583 1.00 0.00 N ATOM 159 NH2 ARG A 18 -6.135 14.136 -4.749 1.00 0.00 N ATOM 0 H ARG A 18 -1.537 15.146 -0.600 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.587 13.924 -2.318 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.528 14.875 -3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.533 13.831 -2.399 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.632 12.646 -4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.893 11.877 -3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.265 13.979 -5.602 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.665 12.276 -5.720 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.164 13.213 -3.552 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.852 13.929 -7.007 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.518 14.500 -7.152 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.291 13.950 -3.758 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.891 14.510 -5.323 1.00 0.00 H new ATOM 173 N ASN A 19 -1.765 12.445 -0.039 1.00 0.00 N ATOM 174 CA ASN A 19 -1.341 11.143 0.468 1.00 0.00 C ATOM 175 C ASN A 19 -2.357 10.505 1.416 1.00 0.00 C ATOM 176 O ASN A 19 -2.426 9.280 1.518 1.00 0.00 O ATOM 177 CB ASN A 19 0.043 11.244 1.132 1.00 0.00 C ATOM 178 CG ASN A 19 0.005 11.638 2.601 1.00 0.00 C ATOM 179 OD1 ASN A 19 -0.778 12.490 3.021 1.00 0.00 O ATOM 180 ND2 ASN A 19 0.852 11.004 3.393 1.00 0.00 N ATOM 0 H ASN A 19 -1.433 13.249 0.494 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.273 10.481 -0.395 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.549 10.283 1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.642 11.974 0.587 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.872 11.215 4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.485 10.304 3.006 1.00 0.00 H new ATOM 187 N LYS A 20 -3.138 11.312 2.112 1.00 0.00 N ATOM 188 CA LYS A 20 -4.167 10.779 2.979 1.00 0.00 C ATOM 189 C LYS A 20 -5.416 10.479 2.153 1.00 0.00 C ATOM 190 O LYS A 20 -6.142 11.394 1.761 1.00 0.00 O ATOM 191 CB LYS A 20 -4.481 11.806 4.074 1.00 0.00 C ATOM 192 CG LYS A 20 -5.449 11.310 5.129 1.00 0.00 C ATOM 193 CD LYS A 20 -4.799 10.336 6.086 1.00 0.00 C ATOM 194 CE LYS A 20 -3.946 11.023 7.131 1.00 0.00 C ATOM 195 NZ LYS A 20 -4.738 11.945 7.986 1.00 0.00 N ATOM 0 H LYS A 20 -3.079 12.330 2.093 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.825 9.856 3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.550 12.099 4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.894 12.701 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.841 12.159 5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.298 10.828 4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.573 9.750 6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.182 9.636 5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.467 10.271 7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.150 11.581 6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.238 12.101 8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.861 12.854 7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.671 11.526 8.177 1.00 0.00 H new ATOM 209 N PHE A 21 -5.664 9.201 1.883 1.00 0.00 N ATOM 210 CA PHE A 21 -6.853 8.806 1.129 1.00 0.00 C ATOM 211 C PHE A 21 -7.828 7.995 1.961 1.00 0.00 C ATOM 212 O PHE A 21 -7.467 6.972 2.508 1.00 0.00 O ATOM 213 CB PHE A 21 -6.441 7.998 -0.100 1.00 0.00 C ATOM 214 CG PHE A 21 -5.937 8.836 -1.234 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.320 10.163 -1.382 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.083 8.291 -2.161 1.00 0.00 C ATOM 217 CE1 PHE A 21 -5.848 10.914 -2.436 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.613 9.028 -3.204 1.00 0.00 C ATOM 219 CZ PHE A 21 -4.991 10.342 -3.348 1.00 0.00 C ATOM 0 H PHE A 21 -5.065 8.427 2.171 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.361 9.722 0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.666 7.288 0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.296 7.415 -0.443 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.993 10.609 -0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.779 7.260 -2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.149 11.945 -2.546 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.941 8.579 -3.921 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.616 10.925 -4.176 1.00 0.00 H new ATOM 229 N LYS A 22 -9.067 8.447 2.046 1.00 0.00 N ATOM 230 CA LYS A 22 -10.108 7.665 2.699 1.00 0.00 C ATOM 231 C LYS A 22 -10.496 6.471 1.838 1.00 0.00 C ATOM 232 O LYS A 22 -11.158 6.616 0.808 1.00 0.00 O ATOM 233 CB LYS A 22 -11.338 8.517 2.991 1.00 0.00 C ATOM 234 CG LYS A 22 -11.409 9.043 4.410 1.00 0.00 C ATOM 235 CD LYS A 22 -11.543 7.922 5.435 1.00 0.00 C ATOM 236 CE LYS A 22 -12.912 7.269 5.406 1.00 0.00 C ATOM 237 NZ LYS A 22 -13.991 8.213 5.795 1.00 0.00 N ATOM 0 H LYS A 22 -9.378 9.345 1.675 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.708 7.306 3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.353 9.361 2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.231 7.926 2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.512 9.624 4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.258 9.720 4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.780 7.167 5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.355 8.321 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.109 6.887 4.405 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.919 6.413 6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.853 7.679 6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.691 8.760 6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.186 8.862 5.006 1.00 0.00 H new ATOM 251 N VAL A 23 -10.063 5.298 2.261 1.00 0.00 N ATOM 252 CA VAL A 23 -10.374 4.067 1.573 1.00 0.00 C ATOM 253 C VAL A 23 -11.516 3.356 2.290 1.00 0.00 C ATOM 254 O VAL A 23 -12.139 3.908 3.194 1.00 0.00 O ATOM 255 CB VAL A 23 -9.122 3.156 1.516 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.957 3.923 0.914 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.745 2.635 2.897 1.00 0.00 C ATOM 0 H VAL A 23 -9.485 5.176 3.093 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.682 4.294 0.552 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.358 2.296 0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.078 3.279 0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.216 4.245 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.740 4.797 1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.863 2.000 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.529 3.476 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.573 2.056 3.306 1.00 0.00 H new ATOM 267 N ILE A 24 -11.819 2.155 1.866 1.00 0.00 N ATOM 268 CA ILE A 24 -12.773 1.324 2.568 1.00 0.00 C ATOM 269 C ILE A 24 -12.169 -0.045 2.789 1.00 0.00 C ATOM 270 O ILE A 24 -12.034 -0.798 1.840 1.00 0.00 O ATOM 271 CB ILE A 24 -14.063 1.137 1.768 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.799 2.437 1.547 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.981 0.198 2.486 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.651 2.390 0.302 1.00 0.00 C ATOM 0 H ILE A 24 -11.417 1.726 1.032 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.008 1.819 3.510 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.772 0.734 0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.428 2.651 2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.081 3.253 1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.897 0.071 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.491 -0.768 2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.224 0.606 3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.165 3.343 0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.018 2.202 -0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.386 1.591 0.394 1.00 0.00 H new ATOM 286 N ASN A 25 -11.792 -0.389 4.005 1.00 0.00 N ATOM 287 CA ASN A 25 -11.227 -1.709 4.209 1.00 0.00 C ATOM 288 C ASN A 25 -12.303 -2.755 3.946 1.00 0.00 C ATOM 289 O ASN A 25 -13.349 -2.780 4.602 1.00 0.00 O ATOM 290 CB ASN A 25 -10.578 -1.852 5.600 1.00 0.00 C ATOM 291 CG ASN A 25 -11.156 -2.976 6.448 1.00 0.00 C ATOM 292 OD1 ASN A 25 -10.787 -4.138 6.304 1.00 0.00 O ATOM 293 ND2 ASN A 25 -12.037 -2.624 7.364 1.00 0.00 N ATOM 0 H ASN A 25 -11.861 0.199 4.836 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.414 -1.867 3.500 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.509 -2.021 5.473 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.690 -0.911 6.139 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.437 -3.328 7.984 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.318 -1.648 7.452 1.00 0.00 H new ATOM 300 N VAL A 26 -12.062 -3.564 2.925 1.00 0.00 N ATOM 301 CA VAL A 26 -13.042 -4.520 2.442 1.00 0.00 C ATOM 302 C VAL A 26 -12.374 -5.878 2.310 1.00 0.00 C ATOM 303 O VAL A 26 -11.322 -5.995 1.691 1.00 0.00 O ATOM 304 CB VAL A 26 -13.606 -4.053 1.078 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.412 -2.780 1.258 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.501 -3.807 0.077 1.00 0.00 C ATOM 0 H VAL A 26 -11.182 -3.575 2.410 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.872 -4.593 3.145 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.247 -4.848 0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.805 -2.459 0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.239 -2.967 1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.772 -1.999 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.933 -3.481 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.832 -3.035 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.940 -4.728 -0.079 1.00 0.00 H new ATOM 316 N ASP A 27 -12.956 -6.916 2.878 1.00 0.00 N ATOM 317 CA ASP A 27 -12.243 -8.178 2.905 1.00 0.00 C ATOM 318 C ASP A 27 -13.052 -9.311 2.297 1.00 0.00 C ATOM 319 O ASP A 27 -14.199 -9.541 2.673 1.00 0.00 O ATOM 320 CB ASP A 27 -11.818 -8.531 4.337 1.00 0.00 C ATOM 321 CG ASP A 27 -10.696 -9.555 4.386 1.00 0.00 C ATOM 322 OD1 ASP A 27 -10.881 -10.678 3.878 1.00 0.00 O ATOM 323 OD2 ASP A 27 -9.621 -9.244 4.950 1.00 0.00 O ATOM 0 H ASP A 27 -13.880 -6.916 3.310 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.351 -8.052 2.291 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.498 -7.624 4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.680 -8.917 4.881 1.00 0.00 H new ATOM 328 N ASP A 28 -12.423 -9.986 1.331 1.00 0.00 N ATOM 329 CA ASP A 28 -12.934 -11.214 0.694 1.00 0.00 C ATOM 330 C ASP A 28 -14.324 -11.044 0.061 1.00 0.00 C ATOM 331 O ASP A 28 -14.894 -11.996 -0.466 1.00 0.00 O ATOM 332 CB ASP A 28 -12.953 -12.356 1.719 1.00 0.00 C ATOM 333 CG ASP A 28 -13.114 -13.723 1.082 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.197 -14.152 0.348 1.00 0.00 O ATOM 335 OD2 ASP A 28 -14.151 -14.378 1.314 1.00 0.00 O ATOM 0 H ASP A 28 -11.521 -9.690 0.957 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.255 -11.451 -0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.027 -12.336 2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.769 -12.191 2.423 1.00 0.00 H new ATOM 340 N ASP A 29 -14.849 -9.827 0.071 1.00 0.00 N ATOM 341 CA ASP A 29 -16.169 -9.559 -0.497 1.00 0.00 C ATOM 342 C ASP A 29 -16.224 -8.170 -1.113 1.00 0.00 C ATOM 343 O ASP A 29 -17.206 -7.803 -1.753 1.00 0.00 O ATOM 344 CB ASP A 29 -17.264 -9.660 0.574 1.00 0.00 C ATOM 345 CG ASP A 29 -17.553 -11.082 1.008 1.00 0.00 C ATOM 346 OD1 ASP A 29 -18.430 -11.730 0.397 1.00 0.00 O ATOM 347 OD2 ASP A 29 -16.916 -11.555 1.970 1.00 0.00 O ATOM 0 H ASP A 29 -14.385 -9.009 0.465 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.343 -10.310 -1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.965 -9.076 1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.180 -9.212 0.189 1.00 0.00 H new ATOM 352 N GLY A 30 -15.160 -7.400 -0.919 1.00 0.00 N ATOM 353 CA GLY A 30 -15.182 -5.991 -1.279 1.00 0.00 C ATOM 354 C GLY A 30 -16.188 -5.260 -0.428 1.00 0.00 C ATOM 355 O GLY A 30 -16.659 -4.179 -0.773 1.00 0.00 O ATOM 0 H GLY A 30 -14.280 -7.725 -0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.192 -5.556 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.435 -5.880 -2.333 1.00 0.00 H new ATOM 359 N ASN A 31 -16.506 -5.871 0.702 1.00 0.00 N ATOM 360 CA ASN A 31 -17.489 -5.337 1.612 1.00 0.00 C ATOM 361 C ASN A 31 -16.829 -4.402 2.580 1.00 0.00 C ATOM 362 O ASN A 31 -15.868 -4.787 3.234 1.00 0.00 O ATOM 363 CB ASN A 31 -18.178 -6.461 2.385 1.00 0.00 C ATOM 364 CG ASN A 31 -19.473 -6.017 3.046 1.00 0.00 C ATOM 365 OD1 ASN A 31 -20.191 -5.100 2.415 1.00 0.00 O flip ATOM 366 ND2 ASN A 31 -19.835 -6.509 4.111 1.00 0.00 N flip ATOM 0 H ASN A 31 -16.087 -6.749 1.008 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.238 -4.799 1.031 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.387 -7.287 1.705 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.498 -6.840 3.148 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -19.257 -7.213 4.570 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.714 -6.214 4.537 1.00 0.00 H new ATOM 373 N GLU A 32 -17.295 -3.156 2.595 1.00 0.00 N ATOM 374 CA GLU A 32 -16.862 -2.163 3.563 1.00 0.00 C ATOM 375 C GLU A 32 -16.915 -2.721 4.998 1.00 0.00 C ATOM 376 O GLU A 32 -17.890 -2.513 5.718 1.00 0.00 O ATOM 377 CB GLU A 32 -17.773 -0.929 3.452 1.00 0.00 C ATOM 378 CG GLU A 32 -18.155 -0.587 2.013 1.00 0.00 C ATOM 379 CD GLU A 32 -19.234 0.468 1.905 1.00 0.00 C ATOM 380 OE1 GLU A 32 -20.406 0.154 2.202 1.00 0.00 O ATOM 381 OE2 GLU A 32 -18.923 1.609 1.504 1.00 0.00 O ATOM 0 H GLU A 32 -17.987 -2.809 1.931 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.829 -1.891 3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.681 -1.103 4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.269 -0.073 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.267 -0.242 1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -18.494 -1.493 1.511 1.00 0.00 H new ATOM 388 N LEU A 33 -15.867 -3.432 5.396 1.00 0.00 N ATOM 389 CA LEU A 33 -15.774 -4.035 6.722 1.00 0.00 C ATOM 390 C LEU A 33 -15.106 -3.071 7.686 1.00 0.00 C ATOM 391 O LEU A 33 -14.404 -3.472 8.617 1.00 0.00 O ATOM 392 CB LEU A 33 -14.982 -5.342 6.643 1.00 0.00 C ATOM 393 CG LEU A 33 -15.803 -6.618 6.404 1.00 0.00 C ATOM 394 CD1 LEU A 33 -17.065 -6.306 5.645 1.00 0.00 C ATOM 395 CD2 LEU A 33 -15.004 -7.622 5.606 1.00 0.00 C ATOM 0 H LEU A 33 -15.054 -3.608 4.806 1.00 0.00 H new ATOM 0 HA LEU A 33 -16.778 -4.253 7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.249 -5.251 5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.425 -5.462 7.572 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.053 -7.034 7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.631 -7.224 5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.669 -5.601 6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.810 -5.866 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.602 -8.519 5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.735 -7.190 4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.098 -7.883 6.152 1.00 0.00 H new ATOM 407 N GLY A 34 -15.330 -1.797 7.439 1.00 0.00 N ATOM 408 CA GLY A 34 -14.711 -0.752 8.217 1.00 0.00 C ATOM 409 C GLY A 34 -13.929 0.179 7.325 1.00 0.00 C ATOM 410 O GLY A 34 -12.722 0.008 7.149 1.00 0.00 O ATOM 0 H GLY A 34 -15.944 -1.461 6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.474 -0.192 8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.049 -1.190 8.964 1.00 0.00 H new ATOM 414 N SER A 35 -14.610 1.149 6.737 1.00 0.00 N ATOM 415 CA SER A 35 -13.973 2.020 5.772 1.00 0.00 C ATOM 416 C SER A 35 -12.908 2.876 6.451 1.00 0.00 C ATOM 417 O SER A 35 -13.164 3.519 7.470 1.00 0.00 O ATOM 418 CB SER A 35 -15.016 2.861 5.032 1.00 0.00 C ATOM 419 OG SER A 35 -15.834 3.587 5.937 1.00 0.00 O ATOM 0 H SER A 35 -15.595 1.350 6.911 1.00 0.00 H new ATOM 0 HA SER A 35 -13.467 1.412 5.022 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.514 3.554 4.357 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.639 2.212 4.417 1.00 0.00 H new ATOM 0 HG SER A 35 -16.489 4.115 5.434 1.00 0.00 H new ATOM 425 N GLY A 36 -11.714 2.865 5.879 1.00 0.00 N ATOM 426 CA GLY A 36 -10.557 3.417 6.547 1.00 0.00 C ATOM 427 C GLY A 36 -9.907 4.541 5.765 1.00 0.00 C ATOM 428 O GLY A 36 -10.495 5.094 4.852 1.00 0.00 O ATOM 0 H GLY A 36 -11.526 2.479 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.852 3.787 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.826 2.625 6.712 1.00 0.00 H new ATOM 432 N ILE A 37 -8.706 4.891 6.159 1.00 0.00 N ATOM 433 CA ILE A 37 -7.834 5.742 5.369 1.00 0.00 C ATOM 434 C ILE A 37 -6.742 4.875 4.796 1.00 0.00 C ATOM 435 O ILE A 37 -6.496 3.815 5.291 1.00 0.00 O ATOM 436 CB ILE A 37 -7.125 6.804 6.238 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.084 7.831 6.827 1.00 0.00 C ATOM 438 CG2 ILE A 37 -6.058 7.538 5.442 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.448 8.943 5.863 1.00 0.00 C ATOM 0 H ILE A 37 -8.298 4.593 7.045 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.442 6.236 4.611 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.670 6.252 7.061 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.995 7.324 7.145 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.634 8.267 7.719 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.575 8.280 6.078 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.314 6.825 5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.519 8.037 4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.133 9.637 6.350 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.545 9.475 5.564 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.928 8.518 4.981 1.00 0.00 H new ATOM 451 N MET A 38 -6.086 5.324 3.783 1.00 0.00 N ATOM 452 CA MET A 38 -4.843 4.746 3.407 1.00 0.00 C ATOM 453 C MET A 38 -3.849 5.876 3.233 1.00 0.00 C ATOM 454 O MET A 38 -3.761 6.504 2.177 1.00 0.00 O ATOM 455 CB MET A 38 -5.005 3.898 2.173 1.00 0.00 C ATOM 456 CG MET A 38 -3.818 3.042 1.891 1.00 0.00 C ATOM 457 SD MET A 38 -3.546 1.863 3.202 1.00 0.00 S ATOM 458 CE MET A 38 -5.217 1.249 3.282 1.00 0.00 C ATOM 0 H MET A 38 -6.394 6.098 3.194 1.00 0.00 H new ATOM 0 HA MET A 38 -4.469 4.070 4.176 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.884 3.263 2.288 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.190 4.546 1.316 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.963 2.514 0.948 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.934 3.669 1.773 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.221 0.266 3.754 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.829 1.935 3.867 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.624 1.169 2.274 1.00 0.00 H new ATOM 468 N GLU A 39 -3.167 6.169 4.327 1.00 0.00 N ATOM 469 CA GLU A 39 -2.234 7.272 4.410 1.00 0.00 C ATOM 470 C GLU A 39 -0.918 6.855 3.771 1.00 0.00 C ATOM 471 O GLU A 39 -0.106 6.156 4.383 1.00 0.00 O ATOM 472 CB GLU A 39 -2.028 7.638 5.887 1.00 0.00 C ATOM 473 CG GLU A 39 -0.819 8.509 6.172 1.00 0.00 C ATOM 474 CD GLU A 39 -0.941 9.326 7.439 1.00 0.00 C ATOM 475 OE1 GLU A 39 -0.882 8.742 8.533 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.074 10.560 7.350 1.00 0.00 O ATOM 0 H GLU A 39 -3.249 5.637 5.194 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.621 8.143 3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.920 8.153 6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.937 6.718 6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.065 7.875 6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.662 9.183 5.330 1.00 0.00 H new ATOM 483 N LEU A 40 -0.728 7.247 2.532 1.00 0.00 N ATOM 484 CA LEU A 40 0.430 6.825 1.781 1.00 0.00 C ATOM 485 C LEU A 40 1.666 7.639 2.142 1.00 0.00 C ATOM 486 O LEU A 40 1.766 8.819 1.809 1.00 0.00 O ATOM 487 CB LEU A 40 0.134 6.931 0.291 1.00 0.00 C ATOM 488 CG LEU A 40 -0.223 5.613 -0.391 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.527 5.869 -1.843 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.935 4.635 -0.270 1.00 0.00 C ATOM 0 H LEU A 40 -1.364 7.860 2.022 1.00 0.00 H new ATOM 0 HA LEU A 40 0.645 5.787 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.689 7.631 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.005 7.357 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.099 5.182 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.782 4.929 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.367 6.559 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.348 6.304 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.672 3.697 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.819 5.057 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.145 4.448 0.783 1.00 0.00 H new ATOM 502 N THR A 41 2.603 7.013 2.840 1.00 0.00 N ATOM 503 CA THR A 41 3.853 7.674 3.165 1.00 0.00 C ATOM 504 C THR A 41 5.030 6.939 2.528 1.00 0.00 C ATOM 505 O THR A 41 4.830 6.069 1.687 1.00 0.00 O ATOM 506 CB THR A 41 4.076 7.793 4.674 1.00 0.00 C ATOM 507 OG1 THR A 41 4.351 6.512 5.260 1.00 0.00 O ATOM 508 CG2 THR A 41 2.867 8.420 5.351 1.00 0.00 C ATOM 0 H THR A 41 2.521 6.058 3.188 1.00 0.00 H new ATOM 0 HA THR A 41 3.788 8.684 2.759 1.00 0.00 H new ATOM 0 HB THR A 41 4.941 8.438 4.827 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.528 5.981 5.287 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.048 8.494 6.423 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.697 9.416 4.942 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.988 7.800 5.174 1.00 0.00 H new ATOM 516 N ASP A 42 6.249 7.286 2.949 1.00 0.00 N ATOM 517 CA ASP A 42 7.476 6.731 2.368 1.00 0.00 C ATOM 518 C ASP A 42 7.486 5.231 2.407 1.00 0.00 C ATOM 519 O ASP A 42 7.742 4.574 1.402 1.00 0.00 O ATOM 520 CB ASP A 42 8.717 7.210 3.123 1.00 0.00 C ATOM 521 CG ASP A 42 8.539 8.566 3.762 1.00 0.00 C ATOM 522 OD1 ASP A 42 7.919 8.639 4.845 1.00 0.00 O ATOM 523 OD2 ASP A 42 9.025 9.567 3.197 1.00 0.00 O ATOM 0 H ASP A 42 6.414 7.957 3.699 1.00 0.00 H new ATOM 0 HA ASP A 42 7.497 7.078 1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.968 6.482 3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.561 7.248 2.434 1.00 0.00 H new ATOM 528 N THR A 43 7.243 4.679 3.566 1.00 0.00 N ATOM 529 CA THR A 43 7.434 3.270 3.730 1.00 0.00 C ATOM 530 C THR A 43 6.251 2.595 4.359 1.00 0.00 C ATOM 531 O THR A 43 6.150 1.383 4.304 1.00 0.00 O ATOM 532 CB THR A 43 8.640 2.971 4.609 1.00 0.00 C ATOM 533 OG1 THR A 43 8.365 3.359 5.963 1.00 0.00 O ATOM 534 CG2 THR A 43 9.867 3.710 4.122 1.00 0.00 C ATOM 0 H THR A 43 6.918 5.176 4.395 1.00 0.00 H new ATOM 0 HA THR A 43 7.582 2.884 2.722 1.00 0.00 H new ATOM 0 HB THR A 43 8.834 1.900 4.560 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.907 4.142 6.195 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.713 3.477 4.769 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.096 3.403 3.101 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.678 4.783 4.144 1.00 0.00 H new ATOM 542 N GLU A 44 5.386 3.337 5.003 1.00 0.00 N ATOM 543 CA GLU A 44 4.242 2.710 5.607 1.00 0.00 C ATOM 544 C GLU A 44 2.948 3.295 5.106 1.00 0.00 C ATOM 545 O GLU A 44 2.734 4.507 5.085 1.00 0.00 O ATOM 546 CB GLU A 44 4.317 2.718 7.131 1.00 0.00 C ATOM 547 CG GLU A 44 4.871 1.421 7.689 1.00 0.00 C ATOM 548 CD GLU A 44 5.339 1.522 9.121 1.00 0.00 C ATOM 549 OE1 GLU A 44 4.491 1.465 10.033 1.00 0.00 O ATOM 550 OE2 GLU A 44 6.565 1.631 9.340 1.00 0.00 O ATOM 0 H GLU A 44 5.449 4.348 5.120 1.00 0.00 H new ATOM 0 HA GLU A 44 4.260 1.665 5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.944 3.548 7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.322 2.891 7.540 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.103 0.650 7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.705 1.096 7.067 1.00 0.00 H new ATOM 557 N LEU A 45 2.112 2.391 4.679 1.00 0.00 N ATOM 558 CA LEU A 45 0.786 2.691 4.230 1.00 0.00 C ATOM 559 C LEU A 45 -0.136 2.737 5.420 1.00 0.00 C ATOM 560 O LEU A 45 -0.661 1.720 5.869 1.00 0.00 O ATOM 561 CB LEU A 45 0.382 1.607 3.246 1.00 0.00 C ATOM 562 CG LEU A 45 0.548 1.952 1.800 1.00 0.00 C ATOM 563 CD1 LEU A 45 0.955 0.725 1.026 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.746 2.473 1.271 1.00 0.00 C ATOM 0 H LEU A 45 2.343 1.398 4.633 1.00 0.00 H new ATOM 0 HA LEU A 45 0.734 3.661 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.968 0.713 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.663 1.352 3.423 1.00 0.00 H new ATOM 0 HG LEU A 45 1.322 2.712 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.075 0.982 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.899 0.345 1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.186 -0.041 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.632 2.727 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.517 1.710 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.035 3.363 1.829 1.00 0.00 H new ATOM 576 N ILE A 46 -0.299 3.931 5.945 1.00 0.00 N ATOM 577 CA ILE A 46 -0.963 4.107 7.209 1.00 0.00 C ATOM 578 C ILE A 46 -2.497 4.152 7.006 1.00 0.00 C ATOM 579 O ILE A 46 -3.092 5.202 6.811 1.00 0.00 O ATOM 580 CB ILE A 46 -0.439 5.390 7.926 1.00 0.00 C ATOM 581 CG1 ILE A 46 1.075 5.367 8.089 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.082 5.512 9.264 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.626 3.995 8.254 1.00 0.00 C ATOM 0 H ILE A 46 0.022 4.796 5.510 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.737 3.256 7.851 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.697 6.248 7.306 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.535 5.834 7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.350 5.969 8.955 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.715 6.409 9.764 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.163 5.581 9.143 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.839 4.636 9.866 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.709 4.049 8.365 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.193 3.533 9.141 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.381 3.396 7.377 1.00 0.00 H new ATOM 595 N LEU A 47 -3.126 2.990 7.083 1.00 0.00 N ATOM 596 CA LEU A 47 -4.574 2.852 6.913 1.00 0.00 C ATOM 597 C LEU A 47 -5.303 3.275 8.188 1.00 0.00 C ATOM 598 O LEU A 47 -5.205 2.602 9.204 1.00 0.00 O ATOM 599 CB LEU A 47 -4.906 1.390 6.660 1.00 0.00 C ATOM 600 CG LEU A 47 -6.309 0.921 7.098 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.426 1.467 6.228 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.361 -0.573 7.098 1.00 0.00 C ATOM 0 H LEU A 47 -2.648 2.107 7.266 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.886 3.480 6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.798 1.194 5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.165 0.777 7.173 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.471 1.314 8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.385 1.098 6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.418 2.556 6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.278 1.140 5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.353 -0.903 7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.152 -0.944 6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.616 -0.963 7.792 1.00 0.00 H new ATOM 614 N TYR A 48 -6.049 4.357 8.162 1.00 0.00 N ATOM 615 CA TYR A 48 -6.798 4.729 9.359 1.00 0.00 C ATOM 616 C TYR A 48 -8.129 4.017 9.360 1.00 0.00 C ATOM 617 O TYR A 48 -9.076 4.482 8.744 1.00 0.00 O ATOM 618 CB TYR A 48 -7.045 6.229 9.461 1.00 0.00 C ATOM 619 CG TYR A 48 -5.818 6.982 9.807 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.780 6.950 8.938 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.687 7.694 10.988 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.619 7.587 9.194 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.513 8.359 11.271 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.472 8.299 10.368 1.00 0.00 C ATOM 625 OH TYR A 48 -2.288 8.938 10.644 1.00 0.00 O ATOM 0 H TYR A 48 -6.157 4.980 7.361 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.193 4.435 10.216 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.437 6.595 8.512 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.809 6.418 10.215 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.885 6.399 8.015 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.507 7.728 11.690 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.807 7.540 8.483 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.410 8.920 12.188 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.875 9.237 9.807 1.00 0.00 H new ATOM 635 N THR A 49 -8.215 2.916 10.069 1.00 0.00 N ATOM 636 CA THR A 49 -9.447 2.141 10.080 1.00 0.00 C ATOM 637 C THR A 49 -10.544 2.858 10.860 1.00 0.00 C ATOM 638 O THR A 49 -10.349 3.977 11.344 1.00 0.00 O ATOM 639 CB THR A 49 -9.246 0.749 10.661 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.428 0.827 11.816 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.626 -0.175 9.640 1.00 0.00 C ATOM 0 H THR A 49 -7.461 2.535 10.641 1.00 0.00 H new ATOM 0 HA THR A 49 -9.752 2.038 9.039 1.00 0.00 H new ATOM 0 HB THR A 49 -10.219 0.342 10.937 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.495 0.962 11.548 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.492 -1.164 10.078 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.280 -0.249 8.771 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.658 0.220 9.333 1.00 0.00 H new ATOM 649 N ARG A 50 -11.687 2.210 10.998 1.00 0.00 N ATOM 650 CA ARG A 50 -12.803 2.800 11.709 1.00 0.00 C ATOM 651 C ARG A 50 -12.511 2.896 13.193 1.00 0.00 C ATOM 652 O ARG A 50 -12.386 3.990 13.741 1.00 0.00 O ATOM 653 CB ARG A 50 -14.058 1.986 11.472 1.00 0.00 C ATOM 654 CG ARG A 50 -15.160 2.784 10.810 1.00 0.00 C ATOM 655 CD ARG A 50 -15.780 3.799 11.759 1.00 0.00 C ATOM 656 NE ARG A 50 -14.977 5.015 11.908 1.00 0.00 N ATOM 657 CZ ARG A 50 -15.389 6.088 12.583 1.00 0.00 C ATOM 658 NH1 ARG A 50 -16.557 6.066 13.209 1.00 0.00 N ATOM 659 NH2 ARG A 50 -14.625 7.165 12.661 1.00 0.00 N ATOM 0 H ARG A 50 -11.865 1.277 10.627 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.957 3.810 11.329 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.815 1.125 10.849 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.419 1.598 12.425 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.759 3.301 9.938 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.933 2.105 10.450 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.772 4.068 11.395 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.914 3.338 12.737 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.055 5.042 11.473 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.139 5.229 13.174 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.874 6.886 13.726 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.714 7.178 12.203 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.947 7.982 13.179 1.00 0.00 H new ATOM 673 N LYS A 51 -12.426 1.753 13.842 1.00 0.00 N ATOM 674 CA LYS A 51 -12.154 1.697 15.267 1.00 0.00 C ATOM 675 C LYS A 51 -10.834 0.998 15.562 1.00 0.00 C ATOM 676 O LYS A 51 -10.318 1.061 16.678 1.00 0.00 O ATOM 677 CB LYS A 51 -13.319 1.037 15.962 1.00 0.00 C ATOM 678 CG LYS A 51 -14.557 1.913 15.951 1.00 0.00 C ATOM 679 CD LYS A 51 -14.494 2.948 17.058 1.00 0.00 C ATOM 680 CE LYS A 51 -13.929 4.276 16.601 1.00 0.00 C ATOM 681 NZ LYS A 51 -14.658 4.847 15.442 1.00 0.00 N ATOM 0 H LYS A 51 -12.542 0.840 13.401 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.045 2.710 15.653 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.542 0.088 15.474 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.045 0.809 16.992 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.647 2.411 14.986 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.446 1.295 16.075 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.496 3.105 17.457 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.883 2.562 17.874 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.963 4.984 17.429 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.880 4.146 16.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.802 5.866 15.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.103 4.698 14.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.581 4.377 15.347 1.00 0.00 H new ATOM 695 N ARG A 52 -10.289 0.346 14.545 1.00 0.00 N ATOM 696 CA ARG A 52 -9.039 -0.399 14.666 1.00 0.00 C ATOM 697 C ARG A 52 -7.829 0.552 14.678 1.00 0.00 C ATOM 698 O ARG A 52 -6.698 0.141 14.956 1.00 0.00 O ATOM 699 CB ARG A 52 -8.970 -1.415 13.509 1.00 0.00 C ATOM 700 CG ARG A 52 -7.621 -2.083 13.295 1.00 0.00 C ATOM 701 CD ARG A 52 -7.244 -2.969 14.464 1.00 0.00 C ATOM 702 NE ARG A 52 -7.854 -4.292 14.370 1.00 0.00 N ATOM 703 CZ ARG A 52 -8.005 -5.113 15.406 1.00 0.00 C ATOM 704 NH1 ARG A 52 -7.650 -4.720 16.621 1.00 0.00 N ATOM 705 NH2 ARG A 52 -8.509 -6.325 15.226 1.00 0.00 N ATOM 0 H ARG A 52 -10.699 0.317 13.612 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.010 -0.937 15.613 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.714 -2.191 13.687 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.253 -0.907 12.587 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.650 -2.678 12.382 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.855 -1.320 13.154 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.160 -3.072 14.505 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.554 -2.493 15.394 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.184 -4.605 13.457 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.261 -3.788 16.762 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.766 -5.350 17.415 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.782 -6.630 14.292 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.624 -6.953 16.022 1.00 0.00 H new ATOM 719 N ASP A 53 -8.099 1.833 14.401 1.00 0.00 N ATOM 720 CA ASP A 53 -7.086 2.883 14.363 1.00 0.00 C ATOM 721 C ASP A 53 -6.075 2.663 13.238 1.00 0.00 C ATOM 722 O ASP A 53 -6.120 1.665 12.523 1.00 0.00 O ATOM 723 CB ASP A 53 -6.438 3.015 15.745 1.00 0.00 C ATOM 724 CG ASP A 53 -5.101 3.736 15.778 1.00 0.00 C ATOM 725 OD1 ASP A 53 -5.060 4.951 15.476 1.00 0.00 O ATOM 726 OD2 ASP A 53 -4.084 3.088 16.096 1.00 0.00 O ATOM 0 H ASP A 53 -9.040 2.169 14.195 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.564 3.834 14.128 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.130 3.541 16.402 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.302 2.016 16.159 1.00 0.00 H new ATOM 731 N SER A 54 -5.217 3.644 13.056 1.00 0.00 N ATOM 732 CA SER A 54 -4.222 3.645 12.000 1.00 0.00 C ATOM 733 C SER A 54 -3.423 2.343 11.954 1.00 0.00 C ATOM 734 O SER A 54 -2.518 2.094 12.755 1.00 0.00 O ATOM 735 CB SER A 54 -3.287 4.843 12.139 1.00 0.00 C ATOM 736 OG SER A 54 -2.631 4.852 13.393 1.00 0.00 O ATOM 0 H SER A 54 -5.189 4.476 13.645 1.00 0.00 H new ATOM 0 HA SER A 54 -4.760 3.726 11.056 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.545 4.820 11.340 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.856 5.765 12.019 1.00 0.00 H new ATOM 0 HG SER A 54 -2.461 3.930 13.680 1.00 0.00 H new ATOM 742 N VAL A 55 -3.815 1.519 11.016 1.00 0.00 N ATOM 743 CA VAL A 55 -3.060 0.354 10.619 1.00 0.00 C ATOM 744 C VAL A 55 -1.952 0.820 9.701 1.00 0.00 C ATOM 745 O VAL A 55 -2.024 1.921 9.173 1.00 0.00 O ATOM 746 CB VAL A 55 -3.929 -0.638 9.850 1.00 0.00 C ATOM 747 CG1 VAL A 55 -3.229 -1.940 9.690 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.256 -0.868 10.519 1.00 0.00 C ATOM 0 H VAL A 55 -4.684 1.640 10.496 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.676 -0.142 11.511 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.113 -0.197 8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.867 -2.631 9.139 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.300 -1.788 9.141 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.006 -2.356 10.672 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.839 -1.581 9.936 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.094 -1.266 11.521 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.798 0.075 10.586 1.00 0.00 H new ATOM 758 N LYS A 56 -0.927 0.023 9.508 1.00 0.00 N ATOM 759 CA LYS A 56 0.176 0.464 8.658 1.00 0.00 C ATOM 760 C LYS A 56 0.632 -0.674 7.749 1.00 0.00 C ATOM 761 O LYS A 56 0.537 -1.843 8.127 1.00 0.00 O ATOM 762 CB LYS A 56 1.405 0.932 9.443 1.00 0.00 C ATOM 763 CG LYS A 56 1.202 1.455 10.859 1.00 0.00 C ATOM 764 CD LYS A 56 0.158 2.533 11.027 1.00 0.00 C ATOM 765 CE LYS A 56 0.823 3.802 11.496 1.00 0.00 C ATOM 766 NZ LYS A 56 -0.047 4.618 12.381 1.00 0.00 N ATOM 0 H LYS A 56 -0.825 -0.909 9.910 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.217 1.308 8.091 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.104 0.097 9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.889 1.719 8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.934 0.615 11.500 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.155 1.841 11.222 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.357 2.707 10.082 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.596 2.216 11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.740 3.550 12.029 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.111 4.397 10.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.282 5.513 11.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.922 4.095 12.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.453 4.818 13.271 1.00 0.00 H new ATOM 780 N TRP A 57 1.134 -0.335 6.562 1.00 0.00 N ATOM 781 CA TRP A 57 1.755 -1.326 5.687 1.00 0.00 C ATOM 782 C TRP A 57 3.105 -0.883 5.185 1.00 0.00 C ATOM 783 O TRP A 57 3.208 0.003 4.342 1.00 0.00 O ATOM 784 CB TRP A 57 0.853 -1.708 4.525 1.00 0.00 C ATOM 785 CG TRP A 57 -0.075 -2.781 4.944 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.138 -4.121 4.864 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.342 -2.602 5.553 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.937 -4.796 5.389 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.863 -3.879 5.817 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.090 -1.481 5.893 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -3.104 -4.053 6.411 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.314 -1.665 6.476 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.808 -2.934 6.731 1.00 0.00 C ATOM 0 H TRP A 57 1.123 0.613 6.187 1.00 0.00 H new ATOM 0 HA TRP A 57 1.906 -2.214 6.301 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.289 -0.838 4.189 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.455 -2.044 3.681 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.021 -4.586 4.450 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -1.031 -5.810 5.450 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.714 -0.487 5.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.496 -5.039 6.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.907 -0.803 6.743 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.777 -3.037 7.196 1.00 0.00 H new ATOM 804 N HIS A 58 4.149 -1.513 5.702 1.00 0.00 N ATOM 805 CA HIS A 58 5.493 -1.174 5.291 1.00 0.00 C ATOM 806 C HIS A 58 5.747 -1.688 3.868 1.00 0.00 C ATOM 807 O HIS A 58 5.344 -2.787 3.499 1.00 0.00 O ATOM 808 CB HIS A 58 6.543 -1.715 6.273 1.00 0.00 C ATOM 809 CG HIS A 58 7.902 -1.129 6.033 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.784 -1.650 5.119 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.483 -0.010 6.518 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.842 -0.866 5.027 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.691 0.133 5.874 1.00 0.00 N ATOM 0 H HIS A 58 4.088 -2.254 6.400 1.00 0.00 H new ATOM 0 HA HIS A 58 5.588 -0.088 5.296 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.230 -1.495 7.294 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.597 -2.800 6.183 1.00 0.00 H new ATOM 0 HD1 HIS A 58 8.643 -2.512 4.591 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.076 0.649 7.270 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.686 -1.017 4.371 1.00 0.00 H new ATOM 822 N TYR A 59 6.414 -0.857 3.087 1.00 0.00 N ATOM 823 CA TYR A 59 6.624 -1.065 1.657 1.00 0.00 C ATOM 824 C TYR A 59 7.456 -2.303 1.353 1.00 0.00 C ATOM 825 O TYR A 59 7.348 -2.888 0.277 1.00 0.00 O ATOM 826 CB TYR A 59 7.315 0.167 1.096 1.00 0.00 C ATOM 827 CG TYR A 59 6.374 1.256 0.694 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.255 1.526 1.446 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.593 1.987 -0.451 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.367 2.504 1.076 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.722 2.975 -0.832 1.00 0.00 C ATOM 832 CZ TYR A 59 4.612 3.231 -0.068 1.00 0.00 C ATOM 833 OH TYR A 59 3.750 4.217 -0.453 1.00 0.00 O ATOM 0 H TYR A 59 6.837 0.004 3.434 1.00 0.00 H new ATOM 0 HA TYR A 59 5.651 -1.224 1.191 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.008 0.555 1.843 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.910 -0.124 0.230 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.072 0.957 2.345 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.462 1.780 -1.057 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.489 2.701 1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.909 3.548 -1.728 1.00 0.00 H new ATOM 0 HH TYR A 59 3.882 5.006 0.113 1.00 0.00 H new ATOM 843 N LEU A 60 8.277 -2.701 2.309 1.00 0.00 N ATOM 844 CA LEU A 60 9.091 -3.906 2.186 1.00 0.00 C ATOM 845 C LEU A 60 8.251 -5.126 2.491 1.00 0.00 C ATOM 846 O LEU A 60 8.759 -6.192 2.818 1.00 0.00 O ATOM 847 CB LEU A 60 10.301 -3.854 3.115 1.00 0.00 C ATOM 848 CG LEU A 60 11.615 -3.474 2.441 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.082 -4.559 1.475 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.444 -2.170 1.720 1.00 0.00 C ATOM 0 H LEU A 60 8.401 -2.203 3.191 1.00 0.00 H new ATOM 0 HA LEU A 60 9.458 -3.967 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.098 -3.138 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.421 -4.830 3.586 1.00 0.00 H new ATOM 0 HG LEU A 60 12.381 -3.370 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.021 -4.255 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.231 -5.491 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.328 -4.707 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.382 -1.896 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.663 -2.271 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.162 -1.395 2.432 1.00 0.00 H new ATOM 862 N CYS A 61 6.956 -4.937 2.444 1.00 0.00 N ATOM 863 CA CYS A 61 6.041 -6.003 2.728 1.00 0.00 C ATOM 864 C CYS A 61 5.022 -6.143 1.607 1.00 0.00 C ATOM 865 O CYS A 61 4.518 -7.235 1.371 1.00 0.00 O ATOM 866 CB CYS A 61 5.351 -5.745 4.066 1.00 0.00 C ATOM 867 SG CYS A 61 4.440 -7.158 4.712 1.00 0.00 S ATOM 0 H CYS A 61 6.514 -4.048 2.210 1.00 0.00 H new ATOM 0 HA CYS A 61 6.593 -6.941 2.795 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.102 -5.446 4.797 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.665 -4.906 3.952 1.00 0.00 H new ATOM 0 HG CYS A 61 3.894 -6.840 5.848 1.00 0.00 H new ATOM 873 N LEU A 62 4.741 -5.041 0.907 1.00 0.00 N ATOM 874 CA LEU A 62 3.773 -5.044 -0.189 1.00 0.00 C ATOM 875 C LEU A 62 4.252 -5.902 -1.362 1.00 0.00 C ATOM 876 O LEU A 62 4.758 -5.368 -2.337 1.00 0.00 O ATOM 877 CB LEU A 62 3.552 -3.628 -0.734 1.00 0.00 C ATOM 878 CG LEU A 62 2.844 -2.586 0.149 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.804 -1.859 -0.669 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.180 -3.180 1.373 1.00 0.00 C ATOM 0 H LEU A 62 5.172 -4.133 1.082 1.00 0.00 H new ATOM 0 HA LEU A 62 2.850 -5.449 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.528 -3.223 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.981 -3.718 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 62 3.617 -1.905 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.301 -1.120 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.286 -1.357 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.072 -2.574 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.701 -2.387 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.430 -3.907 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.930 -3.674 1.991 1.00 0.00 H new ATOM 892 N ARG A 63 4.071 -7.213 -1.282 1.00 0.00 N ATOM 893 CA ARG A 63 4.418 -8.105 -2.383 1.00 0.00 C ATOM 894 C ARG A 63 3.696 -7.684 -3.647 1.00 0.00 C ATOM 895 O ARG A 63 4.332 -7.404 -4.660 1.00 0.00 O ATOM 896 CB ARG A 63 4.069 -9.561 -2.067 1.00 0.00 C ATOM 897 CG ARG A 63 5.045 -10.244 -1.130 1.00 0.00 C ATOM 898 CD ARG A 63 4.684 -11.705 -0.932 1.00 0.00 C ATOM 899 NE ARG A 63 5.719 -12.431 -0.198 1.00 0.00 N ATOM 900 CZ ARG A 63 5.505 -13.560 0.473 1.00 0.00 C ATOM 901 NH1 ARG A 63 4.289 -14.089 0.523 1.00 0.00 N ATOM 902 NH2 ARG A 63 6.514 -14.164 1.080 1.00 0.00 N ATOM 0 H ARG A 63 3.685 -7.685 -0.464 1.00 0.00 H new ATOM 0 HA ARG A 63 5.496 -8.034 -2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.073 -9.597 -1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.024 -10.123 -3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.055 -10.168 -1.533 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.047 -9.733 -0.167 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.740 -11.775 -0.392 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.531 -12.175 -1.903 1.00 0.00 H new ATOM 0 HE ARG A 63 6.664 -12.048 -0.200 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.513 -13.630 0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.130 -14.955 1.039 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.451 -13.764 1.032 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.355 -15.030 1.596 1.00 0.00 H new ATOM 916 N ARG A 64 2.367 -7.620 -3.589 1.00 0.00 N ATOM 917 CA ARG A 64 1.612 -7.222 -4.767 1.00 0.00 C ATOM 918 C ARG A 64 0.488 -6.247 -4.453 1.00 0.00 C ATOM 919 O ARG A 64 -0.464 -6.568 -3.765 1.00 0.00 O ATOM 920 CB ARG A 64 1.103 -8.449 -5.525 1.00 0.00 C ATOM 921 CG ARG A 64 0.090 -9.344 -4.852 1.00 0.00 C ATOM 922 CD ARG A 64 -0.269 -10.473 -5.807 1.00 0.00 C ATOM 923 NE ARG A 64 0.923 -11.071 -6.424 1.00 0.00 N ATOM 924 CZ ARG A 64 1.440 -12.263 -6.112 1.00 0.00 C ATOM 925 NH1 ARG A 64 0.938 -12.988 -5.126 1.00 0.00 N ATOM 926 NH2 ARG A 64 2.478 -12.723 -6.793 1.00 0.00 N ATOM 0 H ARG A 64 1.807 -7.832 -2.763 1.00 0.00 H new ATOM 0 HA ARG A 64 2.301 -6.681 -5.416 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.668 -8.102 -6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.967 -9.062 -5.782 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.498 -9.747 -3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.801 -8.775 -4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.823 -11.242 -5.268 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.929 -10.093 -6.587 1.00 0.00 H new ATOM 0 HE ARG A 64 1.395 -10.532 -7.150 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.143 -12.639 -4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.345 -13.896 -4.902 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.878 -12.168 -7.550 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.878 -13.632 -6.561 1.00 0.00 H new ATOM 940 N TYR A 65 0.581 -5.072 -5.049 1.00 0.00 N ATOM 941 CA TYR A 65 -0.295 -3.954 -4.736 1.00 0.00 C ATOM 942 C TYR A 65 -0.953 -3.432 -5.988 1.00 0.00 C ATOM 943 O TYR A 65 -0.334 -3.385 -7.041 1.00 0.00 O ATOM 944 CB TYR A 65 0.490 -2.851 -4.029 1.00 0.00 C ATOM 945 CG TYR A 65 1.747 -2.416 -4.748 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.856 -3.248 -4.821 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.841 -1.162 -5.327 1.00 0.00 C ATOM 948 CE1 TYR A 65 4.005 -2.842 -5.463 1.00 0.00 C ATOM 949 CE2 TYR A 65 2.978 -0.756 -5.954 1.00 0.00 C ATOM 950 CZ TYR A 65 4.061 -1.591 -6.029 1.00 0.00 C ATOM 951 OH TYR A 65 5.198 -1.167 -6.676 1.00 0.00 O ATOM 0 H TYR A 65 1.272 -4.864 -5.770 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.080 -4.300 -4.063 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.159 -1.985 -3.902 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.759 -3.197 -3.031 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.817 -4.228 -4.368 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.995 -0.493 -5.280 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.857 -3.503 -5.521 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.027 0.229 -6.394 1.00 0.00 H new ATOM 0 HH TYR A 65 5.823 -0.788 -6.024 1.00 0.00 H new ATOM 961 N GLY A 66 -2.209 -3.046 -5.877 1.00 0.00 N ATOM 962 CA GLY A 66 -2.986 -2.832 -7.064 1.00 0.00 C ATOM 963 C GLY A 66 -4.038 -1.780 -6.953 1.00 0.00 C ATOM 964 O GLY A 66 -4.120 -1.030 -5.982 1.00 0.00 O ATOM 0 H GLY A 66 -2.697 -2.880 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.311 -2.564 -7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.463 -3.772 -7.341 1.00 0.00 H new ATOM 968 N TYR A 67 -4.889 -1.826 -7.948 1.00 0.00 N ATOM 969 CA TYR A 67 -5.935 -0.858 -8.174 1.00 0.00 C ATOM 970 C TYR A 67 -6.943 -1.458 -9.140 1.00 0.00 C ATOM 971 O TYR A 67 -6.572 -1.927 -10.216 1.00 0.00 O ATOM 972 CB TYR A 67 -5.353 0.420 -8.793 1.00 0.00 C ATOM 973 CG TYR A 67 -6.284 1.086 -9.787 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.530 1.532 -9.387 1.00 0.00 C ATOM 975 CD2 TYR A 67 -5.923 1.260 -11.119 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.398 2.131 -10.269 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.788 1.863 -12.016 1.00 0.00 C ATOM 978 CZ TYR A 67 -8.026 2.297 -11.586 1.00 0.00 C ATOM 979 OH TYR A 67 -8.893 2.898 -12.472 1.00 0.00 O ATOM 0 H TYR A 67 -4.872 -2.566 -8.649 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.409 -0.608 -7.225 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.119 1.126 -7.997 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.414 0.178 -9.291 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.829 1.407 -8.357 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.955 0.920 -11.458 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.366 2.470 -9.932 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.496 1.993 -13.047 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.879 3.868 -12.336 1.00 0.00 H new ATOM 989 N ASP A 68 -8.193 -1.472 -8.745 1.00 0.00 N ATOM 990 CA ASP A 68 -9.279 -1.683 -9.670 1.00 0.00 C ATOM 991 C ASP A 68 -10.412 -0.771 -9.242 1.00 0.00 C ATOM 992 O ASP A 68 -10.242 -0.111 -8.239 1.00 0.00 O ATOM 993 CB ASP A 68 -9.680 -3.145 -9.752 1.00 0.00 C ATOM 994 CG ASP A 68 -10.688 -3.403 -10.878 1.00 0.00 C ATOM 995 OD1 ASP A 68 -11.917 -3.283 -10.661 1.00 0.00 O ATOM 996 OD2 ASP A 68 -10.249 -3.713 -12.004 1.00 0.00 O ATOM 0 H ASP A 68 -8.485 -1.338 -7.777 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.977 -1.432 -10.687 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.792 -3.756 -9.914 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.112 -3.456 -8.801 1.00 0.00 H new ATOM 1001 N SER A 69 -11.476 -0.643 -10.037 1.00 0.00 N ATOM 1002 CA SER A 69 -12.636 0.202 -9.727 1.00 0.00 C ATOM 1003 C SER A 69 -12.821 0.510 -8.224 1.00 0.00 C ATOM 1004 O SER A 69 -13.530 -0.205 -7.509 1.00 0.00 O ATOM 1005 CB SER A 69 -13.896 -0.459 -10.286 1.00 0.00 C ATOM 1006 OG SER A 69 -13.940 -1.840 -9.961 1.00 0.00 O ATOM 0 H SER A 69 -11.559 -1.130 -10.929 1.00 0.00 H new ATOM 0 HA SER A 69 -12.452 1.167 -10.199 1.00 0.00 H new ATOM 0 HB2 SER A 69 -14.779 0.039 -9.886 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.924 -0.337 -11.369 1.00 0.00 H new ATOM 0 HG SER A 69 -13.256 -2.319 -10.474 1.00 0.00 H new ATOM 1012 N ASN A 70 -12.188 1.604 -7.777 1.00 0.00 N ATOM 1013 CA ASN A 70 -12.158 2.014 -6.363 1.00 0.00 C ATOM 1014 C ASN A 70 -11.809 0.853 -5.432 1.00 0.00 C ATOM 1015 O ASN A 70 -12.423 0.679 -4.390 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.469 2.618 -5.901 1.00 0.00 C ATOM 1017 CG ASN A 70 -14.029 3.668 -6.836 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -13.290 4.353 -7.545 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -15.342 3.812 -6.839 1.00 0.00 N ATOM 0 H ASN A 70 -11.677 2.237 -8.392 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.378 2.773 -6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.203 1.821 -5.786 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.325 3.063 -4.917 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.777 4.509 -7.443 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.921 3.226 -6.238 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.842 0.061 -5.823 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.323 -1.011 -4.999 1.00 0.00 C ATOM 1028 C LEU A 71 -8.789 -0.944 -5.071 1.00 0.00 C ATOM 1029 O LEU A 71 -8.215 -1.215 -6.119 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.808 -2.375 -5.559 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.640 -3.296 -4.630 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.317 -4.780 -4.793 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.490 -2.940 -3.174 1.00 0.00 C ATOM 0 H LEU A 71 -10.386 0.140 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.668 -0.911 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.403 -2.176 -6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.929 -2.934 -5.881 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.669 -3.125 -4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.936 -5.364 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.519 -5.086 -5.820 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.265 -4.951 -4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.094 -3.617 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.443 -3.030 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.824 -1.915 -3.014 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.124 -0.579 -3.985 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.662 -0.578 -3.957 1.00 0.00 C ATOM 1047 C PHE A 72 -6.207 -1.713 -3.069 1.00 0.00 C ATOM 1048 O PHE A 72 -6.784 -1.944 -2.012 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.080 0.774 -3.481 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.018 0.689 -2.416 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.369 0.681 -1.086 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.666 0.639 -2.736 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.410 0.629 -0.114 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.717 0.593 -1.763 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.087 0.590 -0.461 1.00 0.00 C ATOM 0 H PHE A 72 -8.566 -0.281 -3.115 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.289 -0.719 -4.971 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.663 1.293 -4.344 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.898 1.388 -3.105 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.412 0.716 -0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.365 0.637 -3.773 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.696 0.619 0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.671 0.559 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.332 0.557 0.310 1.00 0.00 H new ATOM 1065 N SER A 73 -5.201 -2.431 -3.496 1.00 0.00 N ATOM 1066 CA SER A 73 -4.795 -3.617 -2.781 1.00 0.00 C ATOM 1067 C SER A 73 -3.291 -3.668 -2.587 1.00 0.00 C ATOM 1068 O SER A 73 -2.553 -2.898 -3.195 1.00 0.00 O ATOM 1069 CB SER A 73 -5.263 -4.841 -3.544 1.00 0.00 C ATOM 1070 OG SER A 73 -4.806 -6.044 -2.955 1.00 0.00 O ATOM 0 H SER A 73 -4.650 -2.219 -4.328 1.00 0.00 H new ATOM 0 HA SER A 73 -5.251 -3.595 -1.791 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.352 -4.848 -3.583 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.907 -4.784 -4.573 1.00 0.00 H new ATOM 0 HG SER A 73 -5.144 -6.108 -2.037 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.862 -4.575 -1.723 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.464 -4.914 -1.561 1.00 0.00 C ATOM 1078 C PHE A 74 -1.343 -6.268 -0.857 1.00 0.00 C ATOM 1079 O PHE A 74 -2.146 -6.600 0.014 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.705 -3.818 -0.817 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.374 -3.305 0.413 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.648 -4.158 1.461 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.713 -1.962 0.535 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.249 -3.700 2.599 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.309 -1.502 1.686 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.576 -2.370 2.713 1.00 0.00 C ATOM 0 H PHE A 74 -3.485 -5.100 -1.109 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.005 -4.994 -2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.278 -4.201 -0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.544 -2.983 -1.499 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.384 -5.202 1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.508 -1.279 -0.276 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.467 -4.382 3.408 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.567 -0.457 1.781 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.045 -2.007 3.615 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.388 -7.071 -1.289 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.150 -8.363 -0.685 1.00 0.00 C ATOM 1098 C GLU A 75 0.990 -8.263 0.293 1.00 0.00 C ATOM 1099 O GLU A 75 2.139 -8.304 -0.108 1.00 0.00 O ATOM 1100 CB GLU A 75 0.185 -9.412 -1.726 1.00 0.00 C ATOM 1101 CG GLU A 75 0.361 -10.802 -1.143 1.00 0.00 C ATOM 1102 CD GLU A 75 0.572 -11.849 -2.207 1.00 0.00 C ATOM 1103 OE1 GLU A 75 1.678 -11.918 -2.757 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -0.375 -12.616 -2.493 1.00 0.00 O ATOM 0 H GLU A 75 0.238 -6.846 -2.062 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.064 -8.664 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.607 -9.437 -2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.101 -9.123 -2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.213 -10.803 -0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.519 -11.060 -0.553 1.00 0.00 H new ATOM 1111 N SER A 76 0.697 -8.140 1.563 1.00 0.00 N ATOM 1112 CA SER A 76 1.755 -7.963 2.527 1.00 0.00 C ATOM 1113 C SER A 76 2.374 -9.324 2.876 1.00 0.00 C ATOM 1114 O SER A 76 1.675 -10.276 3.233 1.00 0.00 O ATOM 1115 CB SER A 76 1.205 -7.221 3.749 1.00 0.00 C ATOM 1116 OG SER A 76 0.179 -7.962 4.386 1.00 0.00 O ATOM 0 H SER A 76 -0.247 -8.158 1.949 1.00 0.00 H new ATOM 0 HA SER A 76 2.557 -7.353 2.112 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.013 -7.033 4.456 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.817 -6.249 3.442 1.00 0.00 H new ATOM 0 HG SER A 76 0.156 -7.737 5.339 1.00 0.00 H new ATOM 1122 N GLY A 77 3.698 -9.413 2.734 1.00 0.00 N ATOM 1123 CA GLY A 77 4.392 -10.685 2.856 1.00 0.00 C ATOM 1124 C GLY A 77 4.664 -11.106 4.286 1.00 0.00 C ATOM 1125 O GLY A 77 5.375 -12.079 4.520 1.00 0.00 O ATOM 0 H GLY A 77 4.305 -8.618 2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.800 -11.458 2.367 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.339 -10.623 2.320 1.00 0.00 H new ATOM 1129 N ARG A 78 4.124 -10.370 5.236 1.00 0.00 N ATOM 1130 CA ARG A 78 4.221 -10.738 6.639 1.00 0.00 C ATOM 1131 C ARG A 78 3.002 -10.210 7.367 1.00 0.00 C ATOM 1132 O ARG A 78 2.324 -9.310 6.862 1.00 0.00 O ATOM 1133 CB ARG A 78 5.513 -10.205 7.280 1.00 0.00 C ATOM 1134 CG ARG A 78 5.639 -8.690 7.261 1.00 0.00 C ATOM 1135 CD ARG A 78 6.949 -8.219 7.876 1.00 0.00 C ATOM 1136 NE ARG A 78 8.115 -8.817 7.226 1.00 0.00 N ATOM 1137 CZ ARG A 78 9.166 -8.128 6.781 1.00 0.00 C ATOM 1138 NH1 ARG A 78 9.191 -6.804 6.880 1.00 0.00 N ATOM 1139 NH2 ARG A 78 10.193 -8.769 6.236 1.00 0.00 N ATOM 0 H ARG A 78 3.609 -9.507 5.063 1.00 0.00 H new ATOM 0 HA ARG A 78 4.257 -11.825 6.717 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.562 -10.550 8.313 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.368 -10.636 6.760 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.572 -8.334 6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.804 -8.250 7.806 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.012 -7.133 7.803 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.960 -8.468 8.937 1.00 0.00 H new ATOM 0 HE ARG A 78 8.125 -9.830 7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.403 -6.309 7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.998 -6.282 6.538 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.177 -9.786 6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.998 -8.245 5.895 1.00 0.00 H new ATOM 1153 N ARG A 79 2.714 -10.772 8.532 1.00 0.00 N ATOM 1154 CA ARG A 79 1.533 -10.386 9.281 1.00 0.00 C ATOM 1155 C ARG A 79 1.523 -8.908 9.614 1.00 0.00 C ATOM 1156 O ARG A 79 2.565 -8.260 9.752 1.00 0.00 O ATOM 1157 CB ARG A 79 1.389 -11.198 10.549 1.00 0.00 C ATOM 1158 CG ARG A 79 2.637 -11.217 11.373 1.00 0.00 C ATOM 1159 CD ARG A 79 2.540 -12.265 12.459 1.00 0.00 C ATOM 1160 NE ARG A 79 3.791 -12.432 13.190 1.00 0.00 N ATOM 1161 CZ ARG A 79 4.139 -13.567 13.794 1.00 0.00 C ATOM 1162 NH1 ARG A 79 3.350 -14.632 13.706 1.00 0.00 N ATOM 1163 NH2 ARG A 79 5.276 -13.638 14.472 1.00 0.00 N ATOM 0 H ARG A 79 3.281 -11.494 8.976 1.00 0.00 H new ATOM 0 HA ARG A 79 0.681 -10.592 8.633 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.572 -10.790 11.145 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.115 -12.221 10.290 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.497 -11.424 10.736 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.800 -10.236 11.820 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.750 -11.988 13.157 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.253 -13.218 12.015 1.00 0.00 H new ATOM 0 HE ARG A 79 4.432 -11.640 13.241 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.480 -14.580 13.177 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.615 -15.502 14.168 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.886 -12.823 14.532 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.541 -14.508 14.934 1.00 0.00 H new ATOM 1177 N CYS A 80 0.328 -8.405 9.765 1.00 0.00 N ATOM 1178 CA CYS A 80 0.096 -7.000 10.005 1.00 0.00 C ATOM 1179 C CYS A 80 -1.064 -6.839 10.971 1.00 0.00 C ATOM 1180 O CYS A 80 -1.622 -7.836 11.431 1.00 0.00 O ATOM 1181 CB CYS A 80 -0.200 -6.299 8.684 1.00 0.00 C ATOM 1182 SG CYS A 80 1.267 -5.988 7.675 1.00 0.00 S ATOM 0 H CYS A 80 -0.525 -8.963 9.725 1.00 0.00 H new ATOM 0 HA CYS A 80 0.984 -6.547 10.446 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.901 -6.906 8.111 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.695 -5.350 8.890 1.00 0.00 H new ATOM 0 HG CYS A 80 0.927 -5.330 6.606 1.00 0.00 H new ATOM 1188 N GLN A 81 -1.421 -5.600 11.270 1.00 0.00 N ATOM 1189 CA GLN A 81 -2.565 -5.308 12.122 1.00 0.00 C ATOM 1190 C GLN A 81 -3.795 -6.040 11.623 1.00 0.00 C ATOM 1191 O GLN A 81 -4.472 -6.742 12.372 1.00 0.00 O ATOM 1192 CB GLN A 81 -2.845 -3.821 12.097 1.00 0.00 C ATOM 1193 CG GLN A 81 -3.960 -3.392 13.010 1.00 0.00 C ATOM 1194 CD GLN A 81 -3.541 -3.322 14.462 1.00 0.00 C ATOM 1195 OE1 GLN A 81 -2.670 -4.064 14.908 1.00 0.00 O ATOM 1196 NE2 GLN A 81 -4.149 -2.421 15.206 1.00 0.00 N ATOM 0 H GLN A 81 -0.930 -4.772 10.932 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.335 -5.634 13.136 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.937 -3.286 12.374 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.091 -3.525 11.077 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.324 -2.414 12.695 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.792 -4.089 12.911 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.868 -1.823 14.798 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.901 -2.321 16.190 1.00 0.00 H new ATOM 1205 N THR A 82 -4.075 -5.854 10.347 1.00 0.00 N ATOM 1206 CA THR A 82 -5.222 -6.472 9.724 1.00 0.00 C ATOM 1207 C THR A 82 -4.864 -6.971 8.311 1.00 0.00 C ATOM 1208 O THR A 82 -5.725 -7.371 7.528 1.00 0.00 O ATOM 1209 CB THR A 82 -6.422 -5.486 9.716 1.00 0.00 C ATOM 1210 OG1 THR A 82 -7.526 -6.009 8.969 1.00 0.00 O ATOM 1211 CG2 THR A 82 -6.012 -4.128 9.170 1.00 0.00 C ATOM 0 H THR A 82 -3.517 -5.274 9.720 1.00 0.00 H new ATOM 0 HA THR A 82 -5.522 -7.345 10.304 1.00 0.00 H new ATOM 0 HB THR A 82 -6.742 -5.360 10.750 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.192 -6.603 8.265 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.872 -3.459 9.176 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.222 -3.709 9.793 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.648 -4.241 8.149 1.00 0.00 H new ATOM 1219 N GLY A 83 -3.563 -6.993 8.012 1.00 0.00 N ATOM 1220 CA GLY A 83 -3.101 -7.391 6.689 1.00 0.00 C ATOM 1221 C GLY A 83 -2.121 -8.540 6.732 1.00 0.00 C ATOM 1222 O GLY A 83 -0.914 -8.341 6.801 1.00 0.00 O ATOM 0 H GLY A 83 -2.820 -6.742 8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.959 -7.674 6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.631 -6.537 6.201 1.00 0.00 H new ATOM 1226 N GLN A 84 -2.639 -9.741 6.694 1.00 0.00 N ATOM 1227 CA GLN A 84 -1.800 -10.932 6.675 1.00 0.00 C ATOM 1228 C GLN A 84 -1.719 -11.517 5.265 1.00 0.00 C ATOM 1229 O GLN A 84 -1.729 -12.733 5.082 1.00 0.00 O ATOM 1230 CB GLN A 84 -2.339 -11.973 7.655 1.00 0.00 C ATOM 1231 CG GLN A 84 -2.416 -11.468 9.085 1.00 0.00 C ATOM 1232 CD GLN A 84 -2.940 -12.514 10.043 1.00 0.00 C ATOM 1233 OE1 GLN A 84 -3.718 -13.389 9.663 1.00 0.00 O ATOM 1234 NE2 GLN A 84 -2.532 -12.424 11.296 1.00 0.00 N ATOM 0 H GLN A 84 -3.641 -9.930 6.675 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.794 -10.649 6.983 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.333 -12.285 7.333 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.702 -12.857 7.623 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.425 -11.149 9.408 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.061 -10.590 9.122 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.886 -11.683 11.570 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.863 -13.095 11.989 1.00 0.00 H new ATOM 1243 N GLY A 85 -1.659 -10.643 4.271 1.00 0.00 N ATOM 1244 CA GLY A 85 -1.545 -11.089 2.895 1.00 0.00 C ATOM 1245 C GLY A 85 -2.151 -10.095 1.929 1.00 0.00 C ATOM 1246 O GLY A 85 -1.961 -8.889 2.083 1.00 0.00 O ATOM 0 H GLY A 85 -1.687 -9.631 4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.494 -11.241 2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.041 -12.053 2.783 1.00 0.00 H new ATOM 1250 N ILE A 86 -2.872 -10.594 0.930 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.583 -9.729 0.003 1.00 0.00 C ATOM 1252 C ILE A 86 -4.738 -9.048 0.718 1.00 0.00 C ATOM 1253 O ILE A 86 -5.786 -9.651 0.955 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.119 -10.489 -1.221 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -2.947 -10.945 -2.085 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.051 -9.603 -2.010 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -3.117 -10.739 -3.576 1.00 0.00 C ATOM 0 H ILE A 86 -2.978 -11.591 0.744 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.868 -8.989 -0.357 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.678 -11.365 -0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.052 -10.413 -1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.773 -12.005 -1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.426 -10.149 -2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.888 -9.302 -1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.513 -8.716 -2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.228 -11.096 -4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.989 -11.294 -3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.257 -9.678 -3.783 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.529 -7.804 1.085 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.544 -7.046 1.779 1.00 0.00 C ATOM 1271 C PHE A 87 -5.892 -5.821 0.962 1.00 0.00 C ATOM 1272 O PHE A 87 -5.084 -4.907 0.801 1.00 0.00 O ATOM 1273 CB PHE A 87 -5.046 -6.677 3.176 1.00 0.00 C ATOM 1274 CG PHE A 87 -6.090 -6.105 4.098 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.409 -6.536 4.062 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.736 -5.142 5.019 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.346 -6.004 4.932 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.664 -4.614 5.891 1.00 0.00 C ATOM 1279 CZ PHE A 87 -7.967 -5.040 5.849 1.00 0.00 C ATOM 0 H PHE A 87 -3.662 -7.295 0.914 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.449 -7.642 1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.623 -7.568 3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.236 -5.954 3.077 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.707 -7.292 3.350 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.714 -4.795 5.058 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.371 -6.341 4.895 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.365 -3.864 6.608 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.695 -4.624 6.530 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.089 -5.838 0.416 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.529 -4.794 -0.474 1.00 0.00 C ATOM 1291 C ALA A 88 -8.536 -3.875 0.221 1.00 0.00 C ATOM 1292 O ALA A 88 -9.300 -4.294 1.097 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.120 -5.406 -1.725 1.00 0.00 C ATOM 0 H ALA A 88 -7.778 -6.572 0.577 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.671 -4.184 -0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.452 -4.614 -2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.365 -6.012 -2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.970 -6.034 -1.457 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.521 -2.614 -0.156 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.474 -1.658 0.360 1.00 0.00 C ATOM 1301 C PHE A 89 -10.189 -1.050 -0.803 1.00 0.00 C ATOM 1302 O PHE A 89 -9.608 -0.843 -1.860 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.814 -0.554 1.179 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.728 -1.069 2.031 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.504 -1.251 1.479 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.930 -1.394 3.355 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.475 -1.756 2.212 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.902 -1.898 4.111 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.668 -2.086 3.535 1.00 0.00 C ATOM 0 H PHE A 89 -7.854 -2.226 -0.823 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.159 -2.181 1.027 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.417 0.207 0.507 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.564 -0.068 1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.343 -0.992 0.443 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.904 -1.251 3.800 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.506 -1.898 1.756 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.061 -2.145 5.150 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.854 -2.491 4.117 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.435 -0.773 -0.617 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.216 -0.155 -1.635 1.00 0.00 C ATOM 1321 C LYS A 90 -11.934 1.337 -1.594 1.00 0.00 C ATOM 1322 O LYS A 90 -12.613 2.104 -0.918 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.665 -0.467 -1.373 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.514 -0.726 -2.588 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.749 -1.502 -2.217 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.443 -0.861 -1.042 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.222 0.342 -1.442 1.00 0.00 N ATOM 0 H LYS A 90 -11.942 -0.969 0.246 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.968 -0.525 -2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.716 -1.342 -0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.101 0.365 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.798 0.220 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.938 -1.281 -3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.428 -1.545 -3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.480 -2.529 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -17.110 -1.586 -0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.703 -0.581 -0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.750 0.702 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.572 1.078 -1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.889 0.088 -2.199 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.887 1.717 -2.290 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.368 3.068 -2.238 1.00 0.00 C ATOM 1343 C CYS A 91 -10.769 3.785 -3.515 1.00 0.00 C ATOM 1344 O CYS A 91 -10.357 3.382 -4.587 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.839 3.017 -2.110 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.261 1.594 -1.177 1.00 0.00 S ATOM 0 H CYS A 91 -10.368 1.096 -2.911 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.772 3.603 -1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.397 2.996 -3.106 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.490 3.929 -1.626 1.00 0.00 H new ATOM 0 HG CYS A 91 -6.996 1.735 -0.910 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.589 4.817 -3.427 1.00 0.00 N ATOM 1353 CA ALA A 92 -12.015 5.518 -4.632 1.00 0.00 C ATOM 1354 C ALA A 92 -10.853 6.270 -5.256 1.00 0.00 C ATOM 1355 O ALA A 92 -10.873 6.591 -6.444 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.182 6.427 -4.347 1.00 0.00 C ATOM 0 H ALA A 92 -11.968 5.185 -2.555 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.354 4.778 -5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.478 6.937 -5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -14.019 5.838 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.894 7.165 -3.598 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.832 6.538 -4.457 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.553 6.954 -5.001 1.00 0.00 C ATOM 1364 C ARG A 93 -7.644 5.747 -5.125 1.00 0.00 C ATOM 1365 O ARG A 93 -6.474 5.868 -4.877 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.833 8.007 -4.134 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.236 9.448 -4.393 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.712 9.703 -4.124 1.00 0.00 C ATOM 1369 NE ARG A 93 -10.000 9.774 -2.687 1.00 0.00 N ATOM 1370 CZ ARG A 93 -11.141 9.362 -2.132 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -12.149 8.960 -2.887 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -11.295 9.405 -0.818 1.00 0.00 N ATOM 0 H ARG A 93 -9.865 6.475 -3.439 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.762 7.407 -5.970 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.019 7.778 -3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.759 7.913 -4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.637 10.107 -3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.010 9.704 -5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.013 10.636 -4.601 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.306 8.908 -4.575 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.283 10.163 -2.074 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -12.058 8.963 -3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.018 8.647 -2.454 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.540 9.754 -0.227 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.168 9.089 -0.396 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.181 4.585 -5.482 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.366 3.378 -5.620 1.00 0.00 C ATOM 1388 C ALA A 94 -6.271 3.609 -6.623 1.00 0.00 C ATOM 1389 O ALA A 94 -5.102 3.440 -6.335 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.192 2.211 -6.122 1.00 0.00 C ATOM 0 H ALA A 94 -9.172 4.451 -5.681 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.959 3.151 -4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.558 1.329 -6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.998 2.006 -5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.615 2.457 -7.096 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.700 3.964 -7.819 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.792 4.304 -8.918 1.00 0.00 C ATOM 1398 C GLU A 95 -4.719 5.262 -8.446 1.00 0.00 C ATOM 1399 O GLU A 95 -3.524 5.002 -8.576 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.572 4.933 -10.076 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.823 5.683 -9.646 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.574 6.288 -10.813 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -9.036 5.529 -11.691 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -8.721 7.530 -10.846 1.00 0.00 O ATOM 0 H GLU A 95 -7.688 4.027 -8.065 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.317 3.386 -9.264 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.916 5.619 -10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.855 4.149 -10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.483 5.002 -9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.546 6.474 -8.949 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.185 6.356 -7.898 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.347 7.393 -7.323 1.00 0.00 C ATOM 1413 C GLU A 96 -3.429 6.830 -6.242 1.00 0.00 C ATOM 1414 O GLU A 96 -2.219 7.035 -6.272 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.275 8.439 -6.716 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.616 9.742 -6.349 1.00 0.00 C ATOM 1417 CD GLU A 96 -3.969 10.435 -7.523 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -4.680 11.181 -8.231 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -2.760 10.239 -7.750 1.00 0.00 O ATOM 0 H GLU A 96 -6.182 6.561 -7.835 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.711 7.825 -8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.079 8.643 -7.423 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.736 8.018 -5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.360 10.406 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.862 9.557 -5.584 1.00 0.00 H new ATOM 1426 N LEU A 97 -4.031 6.130 -5.297 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.344 5.570 -4.165 1.00 0.00 C ATOM 1428 C LEU A 97 -2.326 4.552 -4.597 1.00 0.00 C ATOM 1429 O LEU A 97 -1.144 4.710 -4.343 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.363 4.919 -3.257 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.983 4.936 -1.807 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.209 4.987 -0.975 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.236 3.682 -1.473 1.00 0.00 C ATOM 0 H LEU A 97 -5.032 5.935 -5.303 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.818 6.367 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.320 5.427 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.509 3.886 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.360 5.809 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.933 4.999 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.773 5.889 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.824 4.110 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.959 3.693 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.869 2.817 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.335 3.621 -2.084 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.798 3.506 -5.247 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.930 2.486 -5.774 1.00 0.00 C ATOM 1447 C PHE A 98 -0.752 3.141 -6.482 1.00 0.00 C ATOM 1448 O PHE A 98 0.391 2.876 -6.150 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.703 1.570 -6.730 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.810 0.851 -7.677 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.855 0.012 -7.178 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.881 1.060 -9.044 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.034 -0.610 -8.003 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -1.001 0.418 -9.891 1.00 0.00 C ATOM 1455 CZ PHE A 98 -0.034 -0.414 -9.362 1.00 0.00 C ATOM 0 H PHE A 98 -3.790 3.345 -5.421 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.552 1.873 -4.956 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.273 0.844 -6.151 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.423 2.163 -7.294 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.803 -0.161 -6.113 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.627 1.728 -9.448 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.793 -1.257 -7.589 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.068 0.565 -10.959 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.668 -0.910 -10.015 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.065 4.028 -7.420 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.063 4.817 -8.145 1.00 0.00 C ATOM 1467 C ASN A 99 0.900 5.486 -7.199 1.00 0.00 C ATOM 1468 O ASN A 99 2.086 5.190 -7.229 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.744 5.891 -8.994 1.00 0.00 C ATOM 1470 CG ASN A 99 0.130 6.388 -10.126 1.00 0.00 C ATOM 1471 OD1 ASN A 99 0.857 7.369 -9.974 1.00 0.00 O ATOM 1472 ND2 ASN A 99 0.065 5.722 -11.269 1.00 0.00 N ATOM 0 H ASN A 99 -2.025 4.225 -7.704 1.00 0.00 H new ATOM 0 HA ASN A 99 0.490 4.129 -8.785 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.670 5.489 -9.406 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.018 6.732 -8.357 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.631 6.018 -12.064 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.551 4.913 -11.354 1.00 0.00 H new ATOM 1479 N MET A 100 0.382 6.368 -6.360 1.00 0.00 N ATOM 1480 CA MET A 100 1.196 7.093 -5.398 1.00 0.00 C ATOM 1481 C MET A 100 2.094 6.114 -4.672 1.00 0.00 C ATOM 1482 O MET A 100 3.295 6.305 -4.600 1.00 0.00 O ATOM 1483 CB MET A 100 0.292 7.828 -4.411 1.00 0.00 C ATOM 1484 CG MET A 100 1.005 8.861 -3.560 1.00 0.00 C ATOM 1485 SD MET A 100 0.208 9.148 -1.977 1.00 0.00 S ATOM 1486 CE MET A 100 -1.485 9.238 -2.504 1.00 0.00 C ATOM 0 H MET A 100 -0.610 6.601 -6.326 1.00 0.00 H new ATOM 0 HA MET A 100 1.815 7.828 -5.912 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.507 8.320 -4.966 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.180 7.097 -3.755 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.031 8.535 -3.389 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.056 9.801 -4.109 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.121 9.467 -1.649 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.591 10.021 -3.255 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.784 8.281 -2.932 1.00 0.00 H new ATOM 1496 N LEU A 101 1.495 5.047 -4.178 1.00 0.00 N ATOM 1497 CA LEU A 101 2.226 3.940 -3.589 1.00 0.00 C ATOM 1498 C LEU A 101 3.360 3.447 -4.492 1.00 0.00 C ATOM 1499 O LEU A 101 4.512 3.468 -4.071 1.00 0.00 O ATOM 1500 CB LEU A 101 1.239 2.813 -3.281 1.00 0.00 C ATOM 1501 CG LEU A 101 1.815 1.420 -3.105 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.843 1.378 -2.003 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.691 0.454 -2.819 1.00 0.00 C ATOM 0 H LEU A 101 0.483 4.923 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 101 2.699 4.283 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.701 3.074 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.505 2.777 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 101 2.322 1.134 -4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.232 0.364 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.660 2.060 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.381 1.680 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.097 -0.549 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.175 0.755 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.012 0.457 -3.652 1.00 0.00 H new ATOM 1515 N GLN A 102 3.048 3.019 -5.723 1.00 0.00 N ATOM 1516 CA GLN A 102 4.088 2.506 -6.623 1.00 0.00 C ATOM 1517 C GLN A 102 5.168 3.571 -6.838 1.00 0.00 C ATOM 1518 O GLN A 102 6.350 3.257 -6.957 1.00 0.00 O ATOM 1519 CB GLN A 102 3.550 2.048 -7.992 1.00 0.00 C ATOM 1520 CG GLN A 102 2.082 2.058 -8.162 1.00 0.00 C ATOM 1521 CD GLN A 102 1.701 2.225 -9.615 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.665 2.789 -9.953 1.00 0.00 O ATOM 1523 NE2 GLN A 102 2.556 1.745 -10.485 1.00 0.00 N ATOM 0 H GLN A 102 2.105 3.017 -6.112 1.00 0.00 H new ATOM 0 HA GLN A 102 4.504 1.625 -6.133 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.986 2.686 -8.761 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.908 1.035 -8.177 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.662 1.128 -7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.651 2.869 -7.575 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.406 1.283 -10.163 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.371 1.834 -11.484 1.00 0.00 H new ATOM 1532 N GLU A 103 4.743 4.830 -6.860 1.00 0.00 N ATOM 1533 CA GLU A 103 5.645 5.966 -7.038 1.00 0.00 C ATOM 1534 C GLU A 103 6.497 6.186 -5.807 1.00 0.00 C ATOM 1535 O GLU A 103 7.708 6.333 -5.911 1.00 0.00 O ATOM 1536 CB GLU A 103 4.847 7.228 -7.308 1.00 0.00 C ATOM 1537 CG GLU A 103 3.843 7.081 -8.425 1.00 0.00 C ATOM 1538 CD GLU A 103 4.486 7.104 -9.794 1.00 0.00 C ATOM 1539 OE1 GLU A 103 5.127 6.105 -10.177 1.00 0.00 O ATOM 1540 OE2 GLU A 103 4.370 8.133 -10.489 1.00 0.00 O ATOM 0 H GLU A 103 3.763 5.093 -6.755 1.00 0.00 H new ATOM 0 HA GLU A 103 6.294 5.743 -7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.324 7.519 -6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.535 8.037 -7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.300 6.145 -8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.111 7.886 -8.358 1.00 0.00 H new ATOM 1547 N ILE A 104 5.863 6.241 -4.645 1.00 0.00 N ATOM 1548 CA ILE A 104 6.587 6.339 -3.395 1.00 0.00 C ATOM 1549 C ILE A 104 7.589 5.196 -3.310 1.00 0.00 C ATOM 1550 O ILE A 104 8.725 5.375 -2.862 1.00 0.00 O ATOM 1551 CB ILE A 104 5.656 6.298 -2.169 1.00 0.00 C ATOM 1552 CG1 ILE A 104 4.844 7.582 -2.045 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.475 6.100 -0.922 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.366 7.356 -1.876 1.00 0.00 C ATOM 0 H ILE A 104 4.848 6.219 -4.546 1.00 0.00 H new ATOM 0 HA ILE A 104 7.096 7.303 -3.382 1.00 0.00 H new ATOM 0 HB ILE A 104 4.962 5.467 -2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.214 8.153 -1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.009 8.192 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.816 6.071 -0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.024 5.161 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.180 6.925 -0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.858 8.317 -1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.980 6.813 -2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.188 6.774 -0.972 1.00 0.00 H new ATOM 1566 N MET A 105 7.158 4.030 -3.777 1.00 0.00 N ATOM 1567 CA MET A 105 8.022 2.869 -3.867 1.00 0.00 C ATOM 1568 C MET A 105 9.249 3.180 -4.718 1.00 0.00 C ATOM 1569 O MET A 105 10.385 2.893 -4.334 1.00 0.00 O ATOM 1570 CB MET A 105 7.277 1.678 -4.458 1.00 0.00 C ATOM 1571 CG MET A 105 6.232 1.095 -3.529 1.00 0.00 C ATOM 1572 SD MET A 105 6.016 -0.666 -3.775 1.00 0.00 S ATOM 1573 CE MET A 105 5.080 -1.069 -2.320 1.00 0.00 C ATOM 0 H MET A 105 6.205 3.868 -4.101 1.00 0.00 H new ATOM 0 HA MET A 105 8.342 2.614 -2.857 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.795 1.986 -5.386 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.997 0.901 -4.715 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.522 1.283 -2.495 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.281 1.602 -3.691 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.645 -1.771 -1.707 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.888 -0.161 -1.748 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.132 -1.522 -2.611 1.00 0.00 H new ATOM 1583 N GLN A 106 9.000 3.794 -5.870 1.00 0.00 N ATOM 1584 CA GLN A 106 10.048 4.183 -6.801 1.00 0.00 C ATOM 1585 C GLN A 106 10.957 5.254 -6.207 1.00 0.00 C ATOM 1586 O GLN A 106 12.173 5.229 -6.375 1.00 0.00 O ATOM 1587 CB GLN A 106 9.419 4.731 -8.070 1.00 0.00 C ATOM 1588 CG GLN A 106 8.661 3.698 -8.875 1.00 0.00 C ATOM 1589 CD GLN A 106 9.549 2.824 -9.747 1.00 0.00 C ATOM 1590 OE1 GLN A 106 10.797 2.645 -9.352 1.00 0.00 O flip ATOM 1591 NE2 GLN A 106 9.116 2.331 -10.792 1.00 0.00 N flip ATOM 0 H GLN A 106 8.060 4.036 -6.184 1.00 0.00 H new ATOM 0 HA GLN A 106 10.647 3.298 -7.017 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.740 5.542 -7.806 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.201 5.162 -8.695 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.098 3.061 -8.193 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.934 4.207 -9.508 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.147 2.489 -11.067 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.727 1.765 -11.381 1.00 0.00 H new ATOM 1600 N ASN A 107 10.339 6.181 -5.500 1.00 0.00 N ATOM 1601 CA ASN A 107 10.986 7.425 -5.121 1.00 0.00 C ATOM 1602 C ASN A 107 11.690 7.363 -3.767 1.00 0.00 C ATOM 1603 O ASN A 107 12.679 8.057 -3.558 1.00 0.00 O ATOM 1604 CB ASN A 107 9.954 8.552 -5.135 1.00 0.00 C ATOM 1605 CG ASN A 107 9.686 9.075 -6.536 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.315 10.031 -6.984 1.00 0.00 O ATOM 1607 ND2 ASN A 107 8.757 8.443 -7.239 1.00 0.00 N ATOM 0 H ASN A 107 9.377 6.094 -5.172 1.00 0.00 H new ATOM 0 HA ASN A 107 11.770 7.615 -5.854 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.022 8.192 -4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.305 9.370 -4.506 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.542 8.746 -8.189 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.257 7.653 -6.830 1.00 0.00 H new ATOM 1614 N ASN A 108 11.211 6.537 -2.846 1.00 0.00 N ATOM 1615 CA ASN A 108 11.781 6.530 -1.502 1.00 0.00 C ATOM 1616 C ASN A 108 12.821 5.451 -1.342 1.00 0.00 C ATOM 1617 O ASN A 108 13.701 5.563 -0.488 1.00 0.00 O ATOM 1618 CB ASN A 108 10.719 6.365 -0.413 1.00 0.00 C ATOM 1619 CG ASN A 108 10.056 7.677 -0.062 1.00 0.00 C ATOM 1620 OD1 ASN A 108 8.951 7.986 -0.716 1.00 0.00 O flip ATOM 1621 ND2 ASN A 108 10.542 8.412 0.793 1.00 0.00 N flip ATOM 0 H ASN A 108 10.448 5.877 -2.997 1.00 0.00 H new ATOM 0 HA ASN A 108 12.251 7.506 -1.380 1.00 0.00 H new ATOM 0 HB2 ASN A 108 9.963 5.656 -0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.179 5.941 0.480 1.00 0.00 H new ATOM 0 HD21 ASN A 108 11.397 8.137 1.276 1.00 0.00 H new ATOM 0 HD22 ASN A 108 10.090 9.298 1.021 1.00 0.00 H new ATOM 1628 N SER A 109 12.688 4.394 -2.141 1.00 0.00 N ATOM 1629 CA SER A 109 13.524 3.186 -2.019 1.00 0.00 C ATOM 1630 C SER A 109 13.141 2.413 -0.756 1.00 0.00 C ATOM 1631 O SER A 109 13.251 1.188 -0.700 1.00 0.00 O ATOM 1632 CB SER A 109 15.016 3.532 -2.003 1.00 0.00 C ATOM 1633 OG SER A 109 15.360 4.341 -3.113 1.00 0.00 O ATOM 0 H SER A 109 12.000 4.344 -2.893 1.00 0.00 H new ATOM 0 HA SER A 109 13.342 2.560 -2.893 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.262 4.053 -1.078 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.606 2.616 -2.019 1.00 0.00 H new ATOM 0 HG SER A 109 16.317 4.551 -3.081 1.00 0.00 H new ATOM 1639 N ILE A 110 12.672 3.160 0.240 1.00 0.00 N ATOM 1640 CA ILE A 110 12.088 2.616 1.442 1.00 0.00 C ATOM 1641 C ILE A 110 13.131 1.968 2.344 1.00 0.00 C ATOM 1642 O ILE A 110 13.331 0.750 2.349 1.00 0.00 O ATOM 1643 CB ILE A 110 10.929 1.656 1.135 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.745 2.418 0.564 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.500 0.937 2.381 1.00 0.00 C ATOM 1646 CD1 ILE A 110 9.922 2.938 -0.837 1.00 0.00 C ATOM 0 H ILE A 110 12.692 4.180 0.224 1.00 0.00 H new ATOM 0 HA ILE A 110 11.669 3.458 1.993 1.00 0.00 H new ATOM 0 HB ILE A 110 11.277 0.929 0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.872 1.765 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.527 3.260 1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.678 0.261 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.339 0.365 2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.171 1.663 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 110 9.019 3.465 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.770 3.622 -0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 110 10.105 2.104 -1.514 1.00 0.00 H new ATOM 1658 N ASN A 111 13.810 2.805 3.106 1.00 0.00 N ATOM 1659 CA ASN A 111 14.706 2.324 4.139 1.00 0.00 C ATOM 1660 C ASN A 111 14.534 3.137 5.402 1.00 0.00 C ATOM 1661 O ASN A 111 15.082 4.234 5.540 1.00 0.00 O ATOM 1662 CB ASN A 111 16.175 2.354 3.699 1.00 0.00 C ATOM 1663 CG ASN A 111 16.482 1.393 2.569 1.00 0.00 C ATOM 1664 OD1 ASN A 111 16.323 1.725 1.394 1.00 0.00 O ATOM 1665 ND2 ASN A 111 16.946 0.200 2.916 1.00 0.00 N ATOM 0 H ASN A 111 13.758 3.821 3.029 1.00 0.00 H new ATOM 0 HA ASN A 111 14.442 1.284 4.331 1.00 0.00 H new ATOM 0 HB2 ASN A 111 16.433 3.366 3.386 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.808 2.113 4.553 1.00 0.00 H new ATOM 0 HD21 ASN A 111 17.186 -0.483 2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.063 -0.035 3.902 1.00 0.00 H new ATOM 1672 N VAL A 112 13.751 2.589 6.309 1.00 0.00 N ATOM 1673 CA VAL A 112 13.582 3.149 7.636 1.00 0.00 C ATOM 1674 C VAL A 112 14.749 2.679 8.482 1.00 0.00 C ATOM 1675 O VAL A 112 14.563 1.923 9.430 1.00 0.00 O ATOM 1676 CB VAL A 112 12.265 2.650 8.256 1.00 0.00 C ATOM 1677 CG1 VAL A 112 11.837 3.507 9.436 1.00 0.00 C ATOM 1678 CG2 VAL A 112 11.186 2.612 7.195 1.00 0.00 C ATOM 0 H VAL A 112 13.211 1.739 6.146 1.00 0.00 H new ATOM 0 HA VAL A 112 13.550 4.237 7.587 1.00 0.00 H new ATOM 0 HB VAL A 112 12.427 1.642 8.638 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.903 3.122 9.846 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.609 3.479 10.205 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.691 4.535 9.105 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.254 2.258 7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.039 3.613 6.790 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.487 1.937 6.394 1.00 0.00 H new ATOM 1688 N VAL A 113 15.949 3.117 8.093 1.00 0.00 N ATOM 1689 CA VAL A 113 17.202 2.505 8.528 1.00 0.00 C ATOM 1690 C VAL A 113 17.122 0.987 8.280 1.00 0.00 C ATOM 1691 O VAL A 113 16.279 0.541 7.494 1.00 0.00 O ATOM 1692 CB VAL A 113 17.559 2.856 10.014 1.00 0.00 C ATOM 1693 CG1 VAL A 113 16.906 1.924 11.033 1.00 0.00 C ATOM 1694 CG2 VAL A 113 19.066 2.901 10.215 1.00 0.00 C ATOM 0 H VAL A 113 16.077 3.910 7.464 1.00 0.00 H new ATOM 0 HA VAL A 113 18.022 2.917 7.940 1.00 0.00 H new ATOM 0 HB VAL A 113 17.145 3.848 10.197 1.00 0.00 H new ATOM 0 HG11 VAL A 113 17.196 2.225 12.040 1.00 0.00 H new ATOM 0 HG12 VAL A 113 15.822 1.981 10.936 1.00 0.00 H new ATOM 0 HG13 VAL A 113 17.233 0.900 10.852 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.287 3.146 11.254 1.00 0.00 H new ATOM 0 HG22 VAL A 113 19.495 1.929 9.973 1.00 0.00 H new ATOM 0 HG23 VAL A 113 19.498 3.660 9.563 1.00 0.00 H new ATOM 1704 N GLU A 114 18.001 0.207 8.898 1.00 0.00 N ATOM 1705 CA GLU A 114 17.957 -1.245 8.792 1.00 0.00 C ATOM 1706 C GLU A 114 17.994 -1.715 7.349 1.00 0.00 C ATOM 1707 O GLU A 114 17.028 -2.278 6.826 1.00 0.00 O ATOM 1708 CB GLU A 114 16.717 -1.773 9.495 1.00 0.00 C ATOM 1709 CG GLU A 114 16.815 -1.776 10.998 1.00 0.00 C ATOM 1710 CD GLU A 114 15.476 -2.013 11.656 1.00 0.00 C ATOM 1711 OE1 GLU A 114 14.822 -3.027 11.334 1.00 0.00 O ATOM 1712 OE2 GLU A 114 15.061 -1.178 12.486 1.00 0.00 O ATOM 0 H GLU A 114 18.759 0.560 9.482 1.00 0.00 H new ATOM 0 HA GLU A 114 18.848 -1.643 9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.860 -1.168 9.199 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.524 -2.790 9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 114 17.515 -2.550 11.313 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.220 -0.822 11.336 1.00 0.00 H new ATOM 1719 N GLU A 115 19.119 -1.474 6.718 1.00 0.00 N ATOM 1720 CA GLU A 115 19.366 -1.972 5.388 1.00 0.00 C ATOM 1721 C GLU A 115 19.739 -3.441 5.485 1.00 0.00 C ATOM 1722 O GLU A 115 20.501 -3.806 6.385 1.00 0.00 O ATOM 1723 CB GLU A 115 20.507 -1.193 4.740 1.00 0.00 C ATOM 1724 CG GLU A 115 20.594 -1.407 3.248 1.00 0.00 C ATOM 1725 CD GLU A 115 21.772 -0.699 2.621 1.00 0.00 C ATOM 1726 OE1 GLU A 115 22.866 -1.293 2.571 1.00 0.00 O ATOM 1727 OE2 GLU A 115 21.609 0.457 2.177 1.00 0.00 O ATOM 0 H GLU A 115 19.886 -0.929 7.112 1.00 0.00 H new ATOM 0 HA GLU A 115 18.472 -1.851 4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.375 -0.130 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 115 21.450 -1.490 5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 115 20.667 -2.475 3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 115 19.674 -1.055 2.781 1.00 0.00 H new ATOM 1734 N PRO A 116 19.190 -4.303 4.598 1.00 0.00 N ATOM 1735 CA PRO A 116 19.477 -5.738 4.600 1.00 0.00 C ATOM 1736 C PRO A 116 20.930 -6.035 4.948 1.00 0.00 C ATOM 1737 O PRO A 116 21.208 -6.648 5.977 1.00 0.00 O ATOM 1738 CB PRO A 116 19.149 -6.156 3.171 1.00 0.00 C ATOM 1739 CG PRO A 116 18.102 -5.207 2.711 1.00 0.00 C ATOM 1740 CD PRO A 116 18.238 -3.942 3.530 1.00 0.00 C ATOM 0 HA PRO A 116 18.903 -6.279 5.352 1.00 0.00 H new ATOM 0 HB2 PRO A 116 20.032 -6.105 2.534 1.00 0.00 H new ATOM 0 HB3 PRO A 116 18.790 -7.184 3.135 1.00 0.00 H new ATOM 0 HG2 PRO A 116 18.222 -4.990 1.649 1.00 0.00 H new ATOM 0 HG3 PRO A 116 17.110 -5.640 2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 116 18.612 -3.115 2.926 1.00 0.00 H new ATOM 0 HD3 PRO A 116 17.278 -3.629 3.941 1.00 0.00 H new ATOM 1748 N VAL A 117 21.846 -5.558 4.106 1.00 0.00 N ATOM 1749 CA VAL A 117 23.284 -5.635 4.358 1.00 0.00 C ATOM 1750 C VAL A 117 24.030 -4.803 3.339 1.00 0.00 C ATOM 1751 O VAL A 117 23.658 -4.753 2.166 1.00 0.00 O ATOM 1752 CB VAL A 117 23.857 -7.077 4.327 1.00 0.00 C ATOM 1753 CG1 VAL A 117 23.939 -7.671 5.724 1.00 0.00 C ATOM 1754 CG2 VAL A 117 23.033 -7.964 3.420 1.00 0.00 C ATOM 0 H VAL A 117 21.609 -5.104 3.224 1.00 0.00 H new ATOM 0 HA VAL A 117 23.425 -5.254 5.369 1.00 0.00 H new ATOM 0 HB VAL A 117 24.870 -7.021 3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 117 24.344 -8.681 5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 117 24.589 -7.054 6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 117 22.942 -7.704 6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 117 23.454 -8.970 3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 117 22.006 -8.002 3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 117 23.045 -7.560 2.408 1.00 0.00 H new ATOM 1764 N VAL A 118 25.060 -4.131 3.814 1.00 0.00 N ATOM 1765 CA VAL A 118 25.957 -3.374 2.953 1.00 0.00 C ATOM 1766 C VAL A 118 26.665 -4.323 1.984 1.00 0.00 C ATOM 1767 O VAL A 118 26.883 -5.492 2.322 1.00 0.00 O ATOM 1768 CB VAL A 118 26.989 -2.590 3.792 1.00 0.00 C ATOM 1769 CG1 VAL A 118 27.932 -3.529 4.530 1.00 0.00 C ATOM 1770 CG2 VAL A 118 27.756 -1.622 2.915 1.00 0.00 C ATOM 0 H VAL A 118 25.301 -4.092 4.804 1.00 0.00 H new ATOM 0 HA VAL A 118 25.371 -2.654 2.382 1.00 0.00 H new ATOM 0 HB VAL A 118 26.449 -2.016 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 118 28.646 -2.945 5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 118 27.358 -4.170 5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 118 28.469 -4.146 3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 118 28.480 -1.077 3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 118 28.279 -2.174 2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 118 27.062 -0.917 2.457 1.00 0.00 H new ATOM 1780 N GLU A 119 27.016 -3.815 0.794 1.00 0.00 N ATOM 1781 CA GLU A 119 27.589 -4.611 -0.290 1.00 0.00 C ATOM 1782 C GLU A 119 26.923 -5.983 -0.382 1.00 0.00 C ATOM 1783 O GLU A 119 27.528 -7.017 -0.082 1.00 0.00 O ATOM 1784 CB GLU A 119 29.113 -4.719 -0.151 1.00 0.00 C ATOM 1785 CG GLU A 119 29.599 -5.381 1.131 1.00 0.00 C ATOM 1786 CD GLU A 119 31.102 -5.400 1.243 1.00 0.00 C ATOM 1787 OE1 GLU A 119 31.685 -4.352 1.581 1.00 0.00 O ATOM 1788 OE2 GLU A 119 31.712 -6.465 1.011 1.00 0.00 O ATOM 0 H GLU A 119 26.907 -2.828 0.559 1.00 0.00 H new ATOM 0 HA GLU A 119 27.388 -4.095 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 119 29.501 -5.280 -1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 119 29.539 -3.718 -0.209 1.00 0.00 H new ATOM 0 HG2 GLU A 119 29.182 -4.853 1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 119 29.223 -6.403 1.172 1.00 0.00 H new ATOM 1795 N ARG A 120 25.659 -5.966 -0.792 1.00 0.00 N ATOM 1796 CA ARG A 120 24.839 -7.168 -0.856 1.00 0.00 C ATOM 1797 C ARG A 120 25.545 -8.287 -1.601 1.00 0.00 C ATOM 1798 O ARG A 120 25.718 -9.381 -1.055 1.00 0.00 O ATOM 1799 CB ARG A 120 23.505 -6.852 -1.513 1.00 0.00 C ATOM 1800 CG ARG A 120 22.622 -6.022 -0.615 1.00 0.00 C ATOM 1801 CD ARG A 120 21.905 -6.877 0.411 1.00 0.00 C ATOM 1802 NE ARG A 120 20.592 -7.330 -0.046 1.00 0.00 N ATOM 1803 CZ ARG A 120 20.098 -8.545 0.196 1.00 0.00 C ATOM 1804 NH1 ARG A 120 20.873 -9.499 0.700 1.00 0.00 N ATOM 1805 NH2 ARG A 120 18.837 -8.818 -0.104 1.00 0.00 N ATOM 0 H ARG A 120 25.175 -5.118 -1.089 1.00 0.00 H new ATOM 0 HA ARG A 120 24.664 -7.512 0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 120 23.677 -6.318 -2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 120 22.995 -7.782 -1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 120 23.225 -5.271 -0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 120 21.889 -5.487 -1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 120 22.521 -7.744 0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 120 21.787 -6.308 1.333 1.00 0.00 H new ATOM 0 HE ARG A 120 20.020 -6.678 -0.582 1.00 0.00 H new ATOM 0 HH11 ARG A 120 21.853 -9.305 0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 120 20.488 -10.426 0.882 1.00 0.00 H new ATOM 0 HH21 ARG A 120 18.245 -8.099 -0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 120 18.458 -9.747 0.081 1.00 0.00 H new ATOM 1819 N ASN A 121 25.974 -7.996 -2.828 1.00 0.00 N ATOM 1820 CA ASN A 121 26.673 -8.967 -3.664 1.00 0.00 C ATOM 1821 C ASN A 121 25.899 -10.278 -3.679 1.00 0.00 C ATOM 1822 O ASN A 121 26.447 -11.353 -3.418 1.00 0.00 O ATOM 1823 CB ASN A 121 28.110 -9.186 -3.159 1.00 0.00 C ATOM 1824 CG ASN A 121 28.980 -7.943 -3.289 1.00 0.00 C ATOM 1825 OD1 ASN A 121 28.489 -6.812 -3.264 1.00 0.00 O ATOM 1826 ND2 ASN A 121 30.284 -8.138 -3.417 1.00 0.00 N ATOM 0 H ASN A 121 25.847 -7.085 -3.268 1.00 0.00 H new ATOM 0 HA ASN A 121 26.734 -8.581 -4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 121 28.079 -9.494 -2.114 1.00 0.00 H new ATOM 0 HB3 ASN A 121 28.566 -10.003 -3.719 1.00 0.00 H new ATOM 0 HD21 ASN A 121 30.914 -7.340 -3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 121 30.659 -9.087 -3.434 1.00 0.00 H new ATOM 1833 N ASN A 122 24.610 -10.164 -3.969 1.00 0.00 N ATOM 1834 CA ASN A 122 23.697 -11.291 -3.884 1.00 0.00 C ATOM 1835 C ASN A 122 23.858 -12.200 -5.092 1.00 0.00 C ATOM 1836 O ASN A 122 23.210 -11.952 -6.129 1.00 0.00 O ATOM 1837 CB ASN A 122 22.252 -10.793 -3.763 1.00 0.00 C ATOM 1838 CG ASN A 122 21.263 -11.912 -3.487 1.00 0.00 C ATOM 1839 OD1 ASN A 122 21.081 -12.325 -2.339 1.00 0.00 O ATOM 1840 ND2 ASN A 122 20.592 -12.387 -4.524 1.00 0.00 N ATOM 1841 OXT ASN A 122 24.657 -13.152 -5.003 1.00 0.00 O ATOM 0 H ASN A 122 24.172 -9.293 -4.268 1.00 0.00 H new ATOM 0 HA ASN A 122 23.937 -11.870 -2.992 1.00 0.00 H new ATOM 0 HB2 ASN A 122 22.193 -10.056 -2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 122 21.970 -10.284 -4.685 1.00 0.00 H new ATOM 0 HD21 ASN A 122 19.896 -13.120 -4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 122 20.771 -12.020 -5.459 1.00 0.00 H new TER 1848 ASN A 122 ATOM 1849 N GLY B 493 -6.589 -14.379 -7.753 1.00 0.00 N ATOM 1850 CA GLY B 493 -5.790 -14.514 -8.995 1.00 0.00 C ATOM 1851 C GLY B 493 -4.306 -14.466 -8.704 1.00 0.00 C ATOM 1852 O GLY B 493 -3.912 -14.250 -7.553 1.00 0.00 O ATOM 0 HA2 GLY B 493 -6.036 -15.455 -9.487 1.00 0.00 H new ATOM 0 HA3 GLY B 493 -6.053 -13.714 -9.687 1.00 0.00 H new ATOM 1858 N PRO B 494 -3.453 -14.672 -9.723 1.00 0.00 N ATOM 1859 CA PRO B 494 -1.998 -14.606 -9.570 1.00 0.00 C ATOM 1860 C PRO B 494 -1.557 -13.270 -8.988 1.00 0.00 C ATOM 1861 O PRO B 494 -0.759 -13.220 -8.054 1.00 0.00 O ATOM 1862 CB PRO B 494 -1.459 -14.781 -10.997 1.00 0.00 C ATOM 1863 CG PRO B 494 -2.635 -14.599 -11.898 1.00 0.00 C ATOM 1864 CD PRO B 494 -3.842 -15.000 -11.101 1.00 0.00 C ATOM 0 HA PRO B 494 -1.625 -15.365 -8.882 1.00 0.00 H new ATOM 0 HB2 PRO B 494 -0.682 -14.048 -11.215 1.00 0.00 H new ATOM 0 HB3 PRO B 494 -1.013 -15.767 -11.129 1.00 0.00 H new ATOM 0 HG2 PRO B 494 -2.714 -13.564 -12.230 1.00 0.00 H new ATOM 0 HG3 PRO B 494 -2.538 -15.214 -12.793 1.00 0.00 H new ATOM 0 HD2 PRO B 494 -4.731 -14.451 -11.411 1.00 0.00 H new ATOM 0 HD3 PRO B 494 -4.067 -16.060 -11.215 1.00 0.00 H new ATOM 1872 N ASP B 495 -2.101 -12.194 -9.534 1.00 0.00 N ATOM 1873 CA ASP B 495 -1.839 -10.856 -9.027 1.00 0.00 C ATOM 1874 C ASP B 495 -3.143 -10.163 -8.720 1.00 0.00 C ATOM 1875 O ASP B 495 -3.310 -9.585 -7.658 1.00 0.00 O ATOM 1876 CB ASP B 495 -1.035 -10.031 -10.035 1.00 0.00 C ATOM 1877 CG ASP B 495 0.392 -10.511 -10.184 1.00 0.00 C ATOM 1878 OD1 ASP B 495 0.626 -11.468 -10.953 1.00 0.00 O ATOM 1879 OD2 ASP B 495 1.294 -9.923 -9.550 1.00 0.00 O ATOM 0 H ASP B 495 -2.732 -12.222 -10.335 1.00 0.00 H new ATOM 0 HA ASP B 495 -1.249 -10.945 -8.115 1.00 0.00 H new ATOM 0 HB2 ASP B 495 -1.529 -10.070 -11.006 1.00 0.00 H new ATOM 0 HB3 ASP B 495 -1.031 -8.987 -9.721 1.00 0.00 H new ATOM 1884 N ALA B 496 -4.091 -10.231 -9.622 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.352 -9.594 -9.356 1.00 0.00 C ATOM 1886 C ALA B 496 -5.998 -10.217 -8.144 1.00 0.00 C ATOM 1887 O ALA B 496 -6.198 -11.432 -8.064 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.269 -9.619 -10.550 1.00 0.00 C ATOM 0 H ALA B 496 -4.017 -10.707 -10.521 1.00 0.00 H new ATOM 0 HA ALA B 496 -5.159 -8.542 -9.146 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -7.208 -9.126 -10.298 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.797 -9.097 -11.382 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.467 -10.652 -10.835 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.216 -9.369 -7.169 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.928 -9.747 -5.963 1.00 0.00 C ATOM 1896 C VAL B 497 -8.398 -9.588 -6.218 1.00 0.00 C ATOM 1897 O VAL B 497 -8.873 -8.506 -6.516 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.478 -8.891 -4.732 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.254 -8.098 -5.076 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.570 -7.950 -4.224 1.00 0.00 C ATOM 0 H VAL B 497 -5.907 -8.397 -7.185 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.699 -10.784 -5.719 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.260 -9.594 -3.928 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -4.949 -7.506 -4.213 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.447 -8.776 -5.354 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.474 -7.434 -5.912 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.195 -7.385 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.855 -7.260 -5.019 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.440 -8.532 -3.920 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.145 -10.649 -6.179 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.513 -10.474 -6.535 1.00 0.00 C ATOM 1912 C ILE B 498 -11.300 -10.340 -5.267 1.00 0.00 C ATOM 1913 O ILE B 498 -11.904 -11.298 -4.780 1.00 0.00 O ATOM 1914 CB ILE B 498 -11.134 -11.554 -7.444 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.288 -11.944 -8.680 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.489 -11.047 -7.929 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -8.966 -11.259 -8.841 1.00 0.00 C ATOM 0 H ILE B 498 -8.852 -11.591 -5.920 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.553 -9.578 -7.154 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.205 -12.455 -6.835 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -10.111 -13.019 -8.644 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.882 -11.749 -9.573 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.948 -11.796 -8.575 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -13.136 -10.862 -7.072 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.352 -10.121 -8.487 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.476 -11.622 -9.744 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -9.121 -10.183 -8.920 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.338 -11.473 -7.976 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.273 -9.141 -4.711 1.00 0.00 N ATOM 1930 CA ILE B 499 -11.879 -8.937 -3.429 1.00 0.00 C ATOM 1931 C ILE B 499 -13.360 -8.657 -3.637 1.00 0.00 C ATOM 1932 O ILE B 499 -13.778 -7.516 -3.845 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.151 -7.822 -2.619 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -9.903 -8.371 -1.913 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.074 -7.166 -1.611 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -9.987 -9.830 -1.528 1.00 0.00 C ATOM 0 H ILE B 499 -10.844 -8.314 -5.127 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.780 -9.836 -2.821 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.839 -7.063 -3.336 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.041 -8.230 -2.566 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -9.722 -7.782 -1.014 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.529 -6.395 -1.067 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -12.919 -6.715 -2.131 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.438 -7.916 -0.909 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.062 -10.130 -1.036 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -10.825 -9.979 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.134 -10.435 -2.423 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.122 -9.754 -3.625 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.564 -9.725 -3.811 1.00 0.00 C ATOM 1950 C GLY B 500 -16.021 -8.789 -4.906 1.00 0.00 C ATOM 1951 O GLY B 500 -16.041 -9.154 -6.081 1.00 0.00 O ATOM 0 H GLY B 500 -13.746 -10.692 -3.484 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -15.911 -10.733 -4.039 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.036 -9.430 -2.874 1.00 0.00 H new ATOM 1955 N MET B 501 -16.385 -7.581 -4.491 1.00 0.00 N ATOM 1956 CA MET B 501 -16.846 -6.533 -5.364 1.00 0.00 C ATOM 1957 C MET B 501 -15.947 -6.359 -6.584 1.00 0.00 C ATOM 1958 O MET B 501 -16.445 -6.212 -7.703 1.00 0.00 O ATOM 1959 CB MET B 501 -16.903 -5.240 -4.551 1.00 0.00 C ATOM 1960 CG MET B 501 -17.763 -4.167 -5.163 1.00 0.00 C ATOM 1961 SD MET B 501 -16.963 -3.272 -6.512 1.00 0.00 S ATOM 1962 CE MET B 501 -15.626 -2.453 -5.646 1.00 0.00 C ATOM 0 H MET B 501 -16.363 -7.306 -3.509 1.00 0.00 H new ATOM 0 HA MET B 501 -17.832 -6.795 -5.747 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.279 -5.467 -3.553 1.00 0.00 H new ATOM 0 HB3 MET B 501 -15.891 -4.854 -4.430 1.00 0.00 H new ATOM 0 HG2 MET B 501 -18.682 -4.619 -5.535 1.00 0.00 H new ATOM 0 HG3 MET B 501 -18.048 -3.457 -4.387 1.00 0.00 H new ATOM 0 HE1 MET B 501 -14.781 -2.323 -6.322 1.00 0.00 H new ATOM 0 HE2 MET B 501 -15.963 -1.478 -5.295 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.319 -3.059 -4.794 1.00 0.00 H new ATOM 1972 N THR B 502 -14.633 -6.388 -6.392 1.00 0.00 N ATOM 1973 CA THR B 502 -13.739 -6.065 -7.493 1.00 0.00 C ATOM 1974 C THR B 502 -12.446 -6.871 -7.519 1.00 0.00 C ATOM 1975 O THR B 502 -11.877 -7.215 -6.487 1.00 0.00 O ATOM 1976 CB THR B 502 -13.447 -4.554 -7.479 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.452 -3.849 -8.213 1.00 0.00 O ATOM 1978 CG2 THR B 502 -12.099 -4.222 -8.047 1.00 0.00 C ATOM 0 H THR B 502 -14.175 -6.624 -5.512 1.00 0.00 H new ATOM 0 HA THR B 502 -14.257 -6.347 -8.409 1.00 0.00 H new ATOM 0 HB THR B 502 -13.454 -4.244 -6.434 1.00 0.00 H new ATOM 0 HG1 THR B 502 -14.025 -3.259 -8.869 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.945 -3.143 -8.013 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.325 -4.718 -7.461 1.00 0.00 H new ATOM 0 HG23 THR B 502 -12.046 -4.563 -9.081 1.00 0.00 H new ATOM 1986 N LYS B 503 -12.011 -7.183 -8.738 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.735 -7.804 -8.973 1.00 0.00 C ATOM 1988 C LYS B 503 -9.634 -6.769 -9.166 1.00 0.00 C ATOM 1989 O LYS B 503 -9.658 -6.004 -10.121 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.825 -8.713 -10.189 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.548 -8.772 -11.004 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.470 -10.017 -11.859 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.821 -10.385 -12.445 1.00 0.00 C ATOM 1994 NZ LYS B 503 -11.304 -9.368 -13.416 1.00 0.00 N ATOM 0 H LYS B 503 -12.547 -7.006 -9.588 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.478 -8.395 -8.094 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -11.082 -9.720 -9.860 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.638 -8.369 -10.829 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.486 -7.891 -11.643 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.690 -8.740 -10.333 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.755 -9.859 -12.666 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -9.096 -10.847 -11.259 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -10.749 -11.353 -12.940 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.548 -10.491 -11.640 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -12.226 -9.001 -13.105 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -10.620 -8.586 -13.469 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -11.404 -9.804 -14.355 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.655 -6.787 -8.277 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.598 -5.812 -8.265 1.00 0.00 C ATOM 2010 C ILE B 504 -6.350 -6.321 -8.924 1.00 0.00 C ATOM 2011 O ILE B 504 -5.593 -7.074 -8.331 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.214 -5.419 -6.851 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.442 -4.981 -6.100 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.222 -4.294 -6.898 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.119 -4.192 -4.866 1.00 0.00 C ATOM 0 H ILE B 504 -8.578 -7.488 -7.540 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.993 -4.956 -8.812 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.768 -6.274 -6.343 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.068 -4.378 -6.757 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.025 -5.859 -5.822 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.945 -4.010 -5.883 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.333 -4.615 -7.440 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.667 -3.438 -7.405 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.044 -3.904 -4.366 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.517 -4.801 -4.192 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.561 -3.297 -5.142 1.00 0.00 H new ATOM 2027 N PRO B 505 -6.083 -5.853 -10.119 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.900 -6.231 -10.846 1.00 0.00 C ATOM 2029 C PRO B 505 -3.696 -5.507 -10.261 1.00 0.00 C ATOM 2030 O PRO B 505 -3.464 -4.322 -10.523 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.238 -5.792 -12.263 1.00 0.00 C ATOM 2032 CG PRO B 505 -6.125 -4.612 -12.089 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.884 -4.854 -10.826 1.00 0.00 C ATOM 0 HA PRO B 505 -4.639 -7.289 -10.803 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.339 -5.533 -12.823 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.739 -6.587 -12.815 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.544 -3.692 -12.025 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.802 -4.503 -12.937 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.989 -3.940 -10.242 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.891 -5.220 -11.029 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.994 -6.206 -9.381 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.892 -5.612 -8.646 1.00 0.00 C ATOM 2043 C VAL B 506 -0.545 -5.805 -9.347 1.00 0.00 C ATOM 2044 O VAL B 506 -0.435 -6.526 -10.340 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.806 -6.227 -7.244 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.110 -6.078 -6.481 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.454 -7.675 -7.355 1.00 0.00 C ATOM 0 H VAL B 506 -3.170 -7.186 -9.160 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.094 -4.542 -8.589 1.00 0.00 H new ATOM 0 HB VAL B 506 -1.033 -5.693 -6.691 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -3.007 -6.527 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.351 -5.020 -6.376 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.910 -6.580 -7.026 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.393 -8.112 -6.358 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.220 -8.193 -7.932 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.491 -7.778 -7.856 1.00 0.00 H new ATOM 2057 N ILE B 507 0.465 -5.144 -8.793 1.00 0.00 N ATOM 2058 CA ILE B 507 1.838 -5.189 -9.285 1.00 0.00 C ATOM 2059 C ILE B 507 2.770 -5.486 -8.113 1.00 0.00 C ATOM 2060 O ILE B 507 2.359 -5.366 -6.966 1.00 0.00 O ATOM 2061 CB ILE B 507 2.234 -3.852 -9.940 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.472 -2.803 -8.889 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.116 -3.366 -10.835 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.055 -1.515 -9.418 1.00 0.00 C ATOM 0 H ILE B 507 0.350 -4.549 -7.972 1.00 0.00 H new ATOM 0 HA ILE B 507 1.919 -5.971 -10.040 1.00 0.00 H new ATOM 0 HB ILE B 507 3.144 -4.016 -10.518 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.528 -2.583 -8.391 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.144 -3.209 -8.133 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.403 -2.420 -11.295 1.00 0.00 H new ATOM 0 HG22 ILE B 507 0.926 -4.105 -11.613 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.212 -3.222 -10.243 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.195 -0.814 -8.595 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.017 -1.718 -9.890 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.375 -1.082 -10.152 1.00 0.00 H new ATOM 2076 N GLU B 508 4.009 -5.871 -8.382 1.00 0.00 N ATOM 2077 CA GLU B 508 4.915 -6.275 -7.306 1.00 0.00 C ATOM 2078 C GLU B 508 5.926 -5.182 -6.966 1.00 0.00 C ATOM 2079 O GLU B 508 6.351 -4.423 -7.836 1.00 0.00 O ATOM 2080 CB GLU B 508 5.624 -7.572 -7.670 1.00 0.00 C ATOM 2081 CG GLU B 508 4.674 -8.739 -7.840 1.00 0.00 C ATOM 2082 CD GLU B 508 5.401 -10.054 -7.952 1.00 0.00 C ATOM 2083 OE1 GLU B 508 5.837 -10.595 -6.915 1.00 0.00 O ATOM 2084 OE2 GLU B 508 5.533 -10.566 -9.082 1.00 0.00 O ATOM 0 H GLU B 508 4.410 -5.914 -9.319 1.00 0.00 H new ATOM 0 HA GLU B 508 4.311 -6.441 -6.414 1.00 0.00 H new ATOM 0 HB2 GLU B 508 6.182 -7.427 -8.595 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.351 -7.812 -6.894 1.00 0.00 H new ATOM 0 HG2 GLU B 508 3.990 -8.775 -6.992 1.00 0.00 H new ATOM 0 HG3 GLU B 508 4.067 -8.584 -8.732 1.00 0.00 H new ATOM 2091 N ASN B 509 6.308 -5.128 -5.690 1.00 0.00 N ATOM 2092 CA ASN B 509 7.089 -4.012 -5.141 1.00 0.00 C ATOM 2093 C ASN B 509 8.565 -4.053 -5.532 1.00 0.00 C ATOM 2094 O ASN B 509 9.240 -5.076 -5.394 1.00 0.00 O ATOM 2095 CB ASN B 509 6.966 -3.963 -3.610 1.00 0.00 C ATOM 2096 CG ASN B 509 7.578 -5.156 -2.881 1.00 0.00 C ATOM 2097 OD1 ASN B 509 7.666 -6.269 -3.404 1.00 0.00 O ATOM 2098 ND2 ASN B 509 7.975 -4.934 -1.636 1.00 0.00 N ATOM 0 H ASN B 509 6.087 -5.853 -5.007 1.00 0.00 H new ATOM 0 HA ASN B 509 6.665 -3.109 -5.580 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.443 -3.051 -3.250 1.00 0.00 H new ATOM 0 HB3 ASN B 509 5.911 -3.896 -3.346 1.00 0.00 H new ATOM 0 HD21 ASN B 509 8.367 -5.696 -1.082 1.00 0.00 H new ATOM 0 HD22 ASN B 509 7.889 -4.001 -1.232 1.00 0.00 H new ATOM 2105 N PRO B 510 9.091 -2.906 -6.004 1.00 0.00 N ATOM 2106 CA PRO B 510 10.511 -2.746 -6.332 1.00 0.00 C ATOM 2107 C PRO B 510 11.405 -2.820 -5.098 1.00 0.00 C ATOM 2108 O PRO B 510 12.624 -2.925 -5.216 1.00 0.00 O ATOM 2109 CB PRO B 510 10.601 -1.341 -6.947 1.00 0.00 C ATOM 2110 CG PRO B 510 9.200 -0.955 -7.268 1.00 0.00 C ATOM 2111 CD PRO B 510 8.334 -1.675 -6.280 1.00 0.00 C ATOM 0 HA PRO B 510 10.851 -3.541 -6.996 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.052 -0.636 -6.249 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.222 -1.344 -7.843 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.066 0.124 -7.191 1.00 0.00 H new ATOM 0 HG3 PRO B 510 8.943 -1.236 -8.289 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.179 -1.086 -5.376 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.348 -1.892 -6.692 1.00 0.00 H new ATOM 2119 N GLN B 511 10.792 -2.765 -3.917 1.00 0.00 N ATOM 2120 CA GLN B 511 11.529 -2.799 -2.654 1.00 0.00 C ATOM 2121 C GLN B 511 12.298 -4.105 -2.508 1.00 0.00 C ATOM 2122 O GLN B 511 13.344 -4.159 -1.864 1.00 0.00 O ATOM 2123 CB GLN B 511 10.571 -2.626 -1.472 1.00 0.00 C ATOM 2124 CG GLN B 511 10.051 -1.206 -1.262 1.00 0.00 C ATOM 2125 CD GLN B 511 10.103 -0.348 -2.509 1.00 0.00 C ATOM 2126 OE1 GLN B 511 9.171 -0.345 -3.302 1.00 0.00 O ATOM 2127 NE2 GLN B 511 11.189 0.388 -2.687 1.00 0.00 N ATOM 0 H GLN B 511 9.780 -2.696 -3.808 1.00 0.00 H new ATOM 0 HA GLN B 511 12.242 -1.975 -2.659 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.719 -3.291 -1.615 1.00 0.00 H new ATOM 0 HB3 GLN B 511 11.078 -2.949 -0.563 1.00 0.00 H new ATOM 0 HG2 GLN B 511 9.021 -1.254 -0.908 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.636 -0.727 -0.477 1.00 0.00 H new ATOM 0 HE21 GLN B 511 11.944 0.357 -2.002 1.00 0.00 H new ATOM 0 HE22 GLN B 511 11.271 0.986 -3.509 1.00 0.00 H new HETATM 2136 N PTR B 512 11.753 -5.159 -3.096 1.00 0.00 N HETATM 2137 CA PTR B 512 12.409 -6.455 -3.104 1.00 0.00 C HETATM 2138 C PTR B 512 13.320 -6.627 -4.313 1.00 0.00 C HETATM 2139 O PTR B 512 14.409 -7.190 -4.193 1.00 0.00 O HETATM 2140 CB PTR B 512 11.370 -7.570 -3.048 1.00 0.00 C HETATM 2141 CG PTR B 512 10.939 -7.875 -1.639 1.00 0.00 C HETATM 2142 CD1 PTR B 512 10.265 -6.932 -0.874 1.00 0.00 C HETATM 2143 CD2 PTR B 512 11.236 -9.095 -1.061 1.00 0.00 C HETATM 2144 CE1 PTR B 512 9.901 -7.198 0.422 1.00 0.00 C HETATM 2145 CE2 PTR B 512 10.869 -9.374 0.236 1.00 0.00 C HETATM 2146 CZ PTR B 512 10.203 -8.423 0.975 1.00 0.00 C HETATM 2147 OH PTR B 512 9.849 -8.692 2.272 1.00 0.00 O HETATM 2148 P PTR B 512 8.705 -9.801 2.562 1.00 0.00 P HETATM 2149 O1P PTR B 512 9.174 -10.454 3.840 1.00 0.00 O HETATM 2150 O2P PTR B 512 8.623 -10.697 1.249 1.00 0.00 O HETATM 2151 O3P PTR B 512 7.468 -8.988 2.888 1.00 0.00 O HETATM 0 HE2 PTR B 512 11.105 -10.343 0.676 1.00 0.00 H new HETATM 0 HE1 PTR B 512 9.376 -6.445 1.010 1.00 0.00 H new HETATM 0 HD2 PTR B 512 11.769 -9.848 -1.641 1.00 0.00 H new HETATM 0 HD1 PTR B 512 10.021 -5.964 -1.311 1.00 0.00 H new HETATM 0 HB3 PTR B 512 10.500 -7.283 -3.638 1.00 0.00 H new HETATM 0 HB2 PTR B 512 11.781 -8.471 -3.503 1.00 0.00 H new HETATM 0 HA PTR B 512 13.040 -6.512 -2.217 1.00 0.00 H new ATOM 2161 N PHE B 513 12.889 -6.140 -5.469 1.00 0.00 N ATOM 2162 CA PHE B 513 13.699 -6.245 -6.681 1.00 0.00 C ATOM 2163 C PHE B 513 14.980 -5.425 -6.553 1.00 0.00 C ATOM 2164 O PHE B 513 16.074 -5.904 -6.857 1.00 0.00 O ATOM 2165 CB PHE B 513 12.909 -5.796 -7.903 1.00 0.00 C ATOM 2166 CG PHE B 513 11.771 -6.694 -8.244 1.00 0.00 C ATOM 2167 CD1 PHE B 513 12.015 -7.850 -8.946 1.00 0.00 C ATOM 2168 CD2 PHE B 513 10.470 -6.389 -7.882 1.00 0.00 C ATOM 2169 CE1 PHE B 513 10.993 -8.694 -9.290 1.00 0.00 C ATOM 2170 CE2 PHE B 513 9.431 -7.234 -8.220 1.00 0.00 C ATOM 2171 CZ PHE B 513 9.694 -8.392 -8.928 1.00 0.00 C ATOM 0 H PHE B 513 11.992 -5.672 -5.596 1.00 0.00 H new ATOM 0 HA PHE B 513 13.970 -7.293 -6.809 1.00 0.00 H new ATOM 0 HB2 PHE B 513 12.527 -4.790 -7.728 1.00 0.00 H new ATOM 0 HB3 PHE B 513 13.582 -5.737 -8.758 1.00 0.00 H new ATOM 0 HD1 PHE B 513 13.027 -8.096 -9.230 1.00 0.00 H new ATOM 0 HD2 PHE B 513 10.266 -5.483 -7.331 1.00 0.00 H new ATOM 0 HE1 PHE B 513 11.202 -9.597 -9.845 1.00 0.00 H new ATOM 0 HE2 PHE B 513 8.419 -6.991 -7.933 1.00 0.00 H new ATOM 0 HZ PHE B 513 8.887 -9.058 -9.197 1.00 0.00 H new ATOM 2181 N GLY B 514 14.839 -4.197 -6.088 1.00 0.00 N ATOM 2182 CA GLY B 514 15.986 -3.342 -5.899 1.00 0.00 C ATOM 2183 C GLY B 514 16.222 -3.043 -4.438 1.00 0.00 C ATOM 2184 O GLY B 514 15.572 -3.625 -3.571 1.00 0.00 O ATOM 0 H GLY B 514 13.945 -3.775 -5.837 1.00 0.00 H new ATOM 0 HA2 GLY B 514 16.870 -3.820 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY B 514 15.838 -2.409 -6.443 1.00 0.00 H new ATOM 2188 N ILE B 515 17.155 -2.147 -4.168 1.00 0.00 N ATOM 2189 CA ILE B 515 17.466 -1.736 -2.808 1.00 0.00 C ATOM 2190 C ILE B 515 17.840 -0.261 -2.782 1.00 0.00 C ATOM 2191 O ILE B 515 16.978 0.567 -2.426 1.00 0.00 O ATOM 2192 CB ILE B 515 18.609 -2.575 -2.185 1.00 0.00 C ATOM 2193 CG1 ILE B 515 19.706 -2.854 -3.219 1.00 0.00 C ATOM 2194 CG2 ILE B 515 18.067 -3.875 -1.602 1.00 0.00 C ATOM 2195 CD1 ILE B 515 20.854 -3.676 -2.679 1.00 0.00 C ATOM 2196 OXT ILE B 515 18.979 0.075 -3.158 1.00 0.00 O ATOM 0 H ILE B 515 17.717 -1.684 -4.882 1.00 0.00 H new ATOM 0 HA ILE B 515 16.571 -1.904 -2.209 1.00 0.00 H new ATOM 0 HB ILE B 515 19.051 -1.998 -1.373 1.00 0.00 H new ATOM 0 HG12 ILE B 515 19.267 -3.374 -4.070 1.00 0.00 H new ATOM 0 HG13 ILE B 515 20.093 -1.905 -3.590 1.00 0.00 H new ATOM 0 HG21 ILE B 515 18.886 -4.449 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE B 515 17.334 -3.649 -0.828 1.00 0.00 H new ATOM 0 HG23 ILE B 515 17.593 -4.458 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE B 515 21.591 -3.833 -3.467 1.00 0.00 H new ATOM 0 HD12 ILE B 515 21.319 -3.148 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE B 515 20.480 -4.640 -2.334 1.00 0.00 H new TER 2208 ILE B 515