USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 855 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= -1.51! C(o=-0.94!,f=-10!) USER MOD Set 1.2: A 115 TYR OH : rot 30:sc= 0.573 USER MOD Set 2.1: A 88 HIS : no HD1:sc= -5.54! C(o=-5.5!,f=-25!) USER MOD Set 2.2: A 106 TYR OH : rot -123:sc= 0.0246! USER MOD Set 3.1: A 71 HIS : no HD1:sc= -7.99! C(o=-7.9!,f=-13!) USER MOD Set 3.2: A 73 TYR OH : rot -39:sc= 0.104 USER MOD Set 4.1: A 60 SER OG : rot 165:sc= -0.89! USER MOD Set 4.2: A 62 LYS NZ :NH3+ -139:sc= -0.104! (180deg=-4.01!) USER MOD Set 4.3: A 72 HIS : no HD1:sc= -4.52! C(o=-5.5!,f=-29!) USER MOD Set 5.1: A 9 GLN : amide:sc= -2.51 X(o=-9.8,f=-9.9!) USER MOD Set 5.2: A 12 ASN : amide:sc= -7.25! C(o=-9.8!,f=-14!) USER MOD Single : A 5 SER OG : rot -24:sc= 0.429 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 106:sc= 1.07 USER MOD Single : A 17 MET CE :methyl -177:sc= -0.324 (180deg=-0.342) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0345) USER MOD Single : A 22 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.631) USER MOD Single : A 26 SER OG : rot 92:sc= 1.09 USER MOD Single : A 29 GLN : amide:sc= -0.855 X(o=-0.85,f=-0.81) USER MOD Single : A 30 CYS SG : rot -54:sc= -3.64! USER MOD Single : A 35 THR OG1 : rot 62:sc= 0.879 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 152:sc= 0.603 (180deg=-0.288!) USER MOD Single : A 43 TYR OH : rot 110:sc= -1.25 USER MOD Single : A 61 THR OG1 : rot 170:sc= -1.99! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 0.839 (180deg=0.577) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 74 MET CE :methyl 162:sc= -1.11 (180deg=-1.81) USER MOD Single : A 77 HIS : no HD1:sc= -9.12! C(o=-9.1!,f=-11!) USER MOD Single : A 80 SER OG : rot 68:sc= -1.22 USER MOD Single : A 81 LYS NZ :NH3+ 174:sc= -0.395 (180deg=-0.728) USER MOD Single : A 82 LYS NZ :NH3+ 159:sc= 0.779 (180deg=0.51) USER MOD Single : A 83 LYS NZ :NH3+ 161:sc= 0.792 (180deg=0.248) USER MOD Single : A 92 LYS NZ :NH3+ -136:sc= 0.782 (180deg=-0.997!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -6.58! C(o=-6.6!,f=-19!) USER MOD Single : A 104 ASN : amide:sc= -3.96! C(o=-4!,f=-15!) USER MOD Single : A 105 MET CE :methyl 152:sc= -1.22 (180deg=-3.04) USER MOD Single : A 113 LYS NZ :NH3+ 157:sc= 0.702 (180deg=-0.399!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 163:sc= -0.0534 (180deg=-0.461) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 0.679 -1.524 16.635 1.00 0.00 N ATOM 43 CA SER A 5 0.150 -0.399 15.850 1.00 0.00 C ATOM 44 C SER A 5 1.036 -0.047 14.651 1.00 0.00 C ATOM 45 O SER A 5 0.718 0.871 13.891 1.00 0.00 O ATOM 46 CB SER A 5 -0.054 0.846 16.739 1.00 0.00 C ATOM 47 OG SER A 5 0.964 0.910 17.744 1.00 0.00 O ATOM 0 HA SER A 5 -0.814 -0.724 15.459 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.027 1.747 16.126 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.037 0.809 17.209 1.00 0.00 H new ATOM 0 HG SER A 5 1.325 0.013 17.902 1.00 0.00 H new ATOM 53 N GLY A 6 2.154 -0.744 14.501 1.00 0.00 N ATOM 54 CA GLY A 6 3.102 -0.428 13.446 1.00 0.00 C ATOM 55 C GLY A 6 2.453 -0.495 12.083 1.00 0.00 C ATOM 56 O GLY A 6 2.411 0.501 11.367 1.00 0.00 O ATOM 0 H GLY A 6 2.424 -1.528 15.095 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.509 0.570 13.608 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.939 -1.125 13.487 1.00 0.00 H new ATOM 60 N ASP A 7 1.839 -1.622 11.769 1.00 0.00 N ATOM 61 CA ASP A 7 1.133 -1.751 10.503 1.00 0.00 C ATOM 62 C ASP A 7 -0.021 -0.796 10.431 1.00 0.00 C ATOM 63 O ASP A 7 -0.238 -0.172 9.413 1.00 0.00 O ATOM 64 CB ASP A 7 0.649 -3.182 10.267 1.00 0.00 C ATOM 65 CG ASP A 7 0.056 -3.781 11.527 1.00 0.00 C ATOM 66 OD1 ASP A 7 -0.405 -3.036 12.370 1.00 0.00 O ATOM 67 OD2 ASP A 7 0.074 -4.979 11.637 1.00 0.00 O ATOM 0 H ASP A 7 1.813 -2.451 12.362 1.00 0.00 H new ATOM 0 HA ASP A 7 1.843 -1.502 9.714 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.098 -3.189 9.473 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.482 -3.798 9.927 1.00 0.00 H new ATOM 72 N THR A 8 -0.700 -0.605 11.533 1.00 0.00 N ATOM 73 CA THR A 8 -1.764 0.367 11.585 1.00 0.00 C ATOM 74 C THR A 8 -1.205 1.745 11.268 1.00 0.00 C ATOM 75 O THR A 8 -1.739 2.473 10.424 1.00 0.00 O ATOM 76 CB THR A 8 -2.442 0.335 12.959 1.00 0.00 C ATOM 77 OG1 THR A 8 -2.747 -1.018 13.295 1.00 0.00 O ATOM 78 CG2 THR A 8 -3.723 1.170 12.937 1.00 0.00 C ATOM 0 H THR A 8 -0.536 -1.108 12.405 1.00 0.00 H new ATOM 0 HA THR A 8 -2.522 0.125 10.840 1.00 0.00 H new ATOM 0 HB THR A 8 -1.769 0.756 13.706 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.180 -1.047 14.174 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.195 1.139 13.919 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.480 2.202 12.684 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.408 0.765 12.192 1.00 0.00 H new ATOM 86 N GLN A 9 -0.087 2.070 11.890 1.00 0.00 N ATOM 87 CA GLN A 9 0.580 3.317 11.605 1.00 0.00 C ATOM 88 C GLN A 9 1.126 3.339 10.202 1.00 0.00 C ATOM 89 O GLN A 9 0.916 4.292 9.464 1.00 0.00 O ATOM 90 CB GLN A 9 1.683 3.588 12.597 1.00 0.00 C ATOM 91 CG GLN A 9 1.091 4.151 13.883 1.00 0.00 C ATOM 92 CD GLN A 9 1.260 5.661 13.898 1.00 0.00 C ATOM 93 OE1 GLN A 9 1.948 6.190 14.765 1.00 0.00 O ATOM 94 NE2 GLN A 9 0.722 6.388 12.961 1.00 0.00 N ATOM 0 H GLN A 9 0.373 1.489 12.591 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.165 4.107 11.695 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.229 2.668 12.809 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.399 4.294 12.176 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.035 3.892 13.954 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.586 3.710 14.748 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.150 5.949 12.240 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.873 7.397 12.948 1.00 0.00 H new ATOM 103 N LEU A 10 1.787 2.282 9.809 1.00 0.00 N ATOM 104 CA LEU A 10 2.302 2.243 8.474 1.00 0.00 C ATOM 105 C LEU A 10 1.138 2.285 7.505 1.00 0.00 C ATOM 106 O LEU A 10 1.160 3.026 6.537 1.00 0.00 O ATOM 107 CB LEU A 10 3.191 1.027 8.240 1.00 0.00 C ATOM 108 CG LEU A 10 4.438 1.117 9.155 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.462 0.078 8.755 1.00 0.00 C ATOM 110 CD2 LEU A 10 5.072 2.503 9.105 1.00 0.00 C ATOM 0 H LEU A 10 1.976 1.458 10.380 1.00 0.00 H new ATOM 0 HA LEU A 10 2.939 3.112 8.311 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.637 0.112 8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.496 0.982 7.195 1.00 0.00 H new ATOM 0 HG LEU A 10 4.107 0.928 10.176 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.332 0.154 9.407 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.026 -0.917 8.847 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.767 0.247 7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.944 2.528 9.759 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.379 2.726 8.083 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.348 3.247 9.437 1.00 0.00 H new ATOM 122 N PHE A 11 0.072 1.576 7.851 1.00 0.00 N ATOM 123 CA PHE A 11 -1.162 1.630 7.088 1.00 0.00 C ATOM 124 C PHE A 11 -1.717 3.042 7.054 1.00 0.00 C ATOM 125 O PHE A 11 -1.970 3.568 5.978 1.00 0.00 O ATOM 126 CB PHE A 11 -2.204 0.677 7.695 1.00 0.00 C ATOM 127 CG PHE A 11 -3.578 0.936 7.105 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.942 0.406 5.859 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.488 1.726 7.819 1.00 0.00 C ATOM 130 CE1 PHE A 11 -5.212 0.666 5.344 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.757 1.981 7.301 1.00 0.00 C ATOM 132 CZ PHE A 11 -6.120 1.453 6.066 1.00 0.00 C ATOM 0 H PHE A 11 0.040 0.955 8.659 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.942 1.319 6.067 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.911 -0.356 7.508 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.237 0.808 8.777 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.243 -0.200 5.301 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.205 2.140 8.776 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.497 0.259 4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.457 2.587 7.857 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.103 1.650 5.663 1.00 0.00 H new ATOM 142 N ASN A 12 -1.858 3.694 8.222 1.00 0.00 N ATOM 143 CA ASN A 12 -2.382 5.054 8.213 1.00 0.00 C ATOM 144 C ASN A 12 -1.440 5.991 7.511 1.00 0.00 C ATOM 145 O ASN A 12 -1.859 6.789 6.662 1.00 0.00 O ATOM 146 CB ASN A 12 -2.811 5.578 9.611 1.00 0.00 C ATOM 147 CG ASN A 12 -1.711 5.574 10.658 1.00 0.00 C ATOM 148 OD1 ASN A 12 -0.606 6.035 10.416 1.00 0.00 O ATOM 149 ND2 ASN A 12 -1.970 5.093 11.839 1.00 0.00 N ATOM 0 H ASN A 12 -1.626 3.316 9.140 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.309 5.018 7.640 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.186 6.596 9.503 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.640 4.970 9.973 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.251 5.101 12.562 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.892 4.708 12.042 1.00 0.00 H new ATOM 156 N ARG A 13 -0.166 5.809 7.760 1.00 0.00 N ATOM 157 CA ARG A 13 0.851 6.550 7.052 1.00 0.00 C ATOM 158 C ARG A 13 0.850 6.223 5.562 1.00 0.00 C ATOM 159 O ARG A 13 0.853 7.115 4.730 1.00 0.00 O ATOM 160 CB ARG A 13 2.210 6.253 7.684 1.00 0.00 C ATOM 161 CG ARG A 13 2.285 6.997 9.023 1.00 0.00 C ATOM 162 CD ARG A 13 3.526 6.589 9.819 1.00 0.00 C ATOM 163 NE ARG A 13 3.845 7.670 10.763 1.00 0.00 N ATOM 164 CZ ARG A 13 3.853 7.544 12.090 1.00 0.00 C ATOM 165 NH1 ARG A 13 3.742 6.374 12.652 1.00 0.00 N ATOM 166 NH2 ARG A 13 4.033 8.603 12.823 1.00 0.00 N ATOM 0 H ARG A 13 0.193 5.151 8.451 1.00 0.00 H new ATOM 0 HA ARG A 13 0.638 7.616 7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.333 5.181 7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.015 6.575 7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.303 8.072 8.843 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.390 6.787 9.608 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.344 5.658 10.356 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.366 6.411 9.148 1.00 0.00 H new ATOM 0 HE ARG A 13 4.077 8.584 10.374 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.647 5.538 12.075 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.750 6.294 13.669 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.165 9.513 12.381 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.042 8.524 13.840 1.00 0.00 H new ATOM 180 N ALA A 14 0.783 4.950 5.229 1.00 0.00 N ATOM 181 CA ALA A 14 0.776 4.524 3.832 1.00 0.00 C ATOM 182 C ALA A 14 -0.516 4.883 3.142 1.00 0.00 C ATOM 183 O ALA A 14 -0.506 5.428 2.034 1.00 0.00 O ATOM 184 CB ALA A 14 1.010 3.019 3.722 1.00 0.00 C ATOM 0 H ALA A 14 0.732 4.186 5.903 1.00 0.00 H new ATOM 0 HA ALA A 14 1.589 5.054 3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.001 2.725 2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.976 2.768 4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.221 2.488 4.255 1.00 0.00 H new ATOM 190 N VAL A 15 -1.630 4.543 3.767 1.00 0.00 N ATOM 191 CA VAL A 15 -2.920 4.770 3.163 1.00 0.00 C ATOM 192 C VAL A 15 -3.143 6.265 2.936 1.00 0.00 C ATOM 193 O VAL A 15 -3.604 6.682 1.877 1.00 0.00 O ATOM 194 CB VAL A 15 -4.052 4.141 4.028 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.581 5.139 5.064 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.206 3.672 3.137 1.00 0.00 C ATOM 0 H VAL A 15 -1.662 4.110 4.690 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.945 4.279 2.190 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.628 3.286 4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.370 4.670 5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.769 5.443 5.724 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.981 6.015 4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.989 3.235 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.610 4.522 2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.841 2.925 2.432 1.00 0.00 H new ATOM 206 N SER A 16 -2.769 7.080 3.910 1.00 0.00 N ATOM 207 CA SER A 16 -2.951 8.508 3.792 1.00 0.00 C ATOM 208 C SER A 16 -2.178 9.051 2.615 1.00 0.00 C ATOM 209 O SER A 16 -2.691 9.859 1.835 1.00 0.00 O ATOM 210 CB SER A 16 -2.541 9.198 5.077 1.00 0.00 C ATOM 211 OG SER A 16 -3.288 8.645 6.157 1.00 0.00 O ATOM 0 H SER A 16 -2.341 6.774 4.784 1.00 0.00 H new ATOM 0 HA SER A 16 -4.008 8.710 3.618 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.473 9.067 5.251 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.722 10.270 5.003 1.00 0.00 H new ATOM 0 HG SER A 16 -2.707 8.067 6.694 1.00 0.00 H new ATOM 217 N MET A 17 -0.944 8.605 2.455 1.00 0.00 N ATOM 218 CA MET A 17 -0.147 9.099 1.364 1.00 0.00 C ATOM 219 C MET A 17 -0.772 8.718 0.028 1.00 0.00 C ATOM 220 O MET A 17 -0.842 9.533 -0.887 1.00 0.00 O ATOM 221 CB MET A 17 1.299 8.618 1.435 1.00 0.00 C ATOM 222 CG MET A 17 1.956 9.143 2.712 1.00 0.00 C ATOM 223 SD MET A 17 3.737 8.794 2.662 1.00 0.00 S ATOM 224 CE MET A 17 3.660 7.017 3.010 1.00 0.00 C ATOM 0 H MET A 17 -0.487 7.918 3.055 1.00 0.00 H new ATOM 0 HA MET A 17 -0.127 10.185 1.450 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.331 7.529 1.420 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.851 8.965 0.562 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.787 10.216 2.806 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.506 8.671 3.586 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.671 6.615 3.076 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.142 6.853 3.955 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.120 6.512 2.209 1.00 0.00 H new ATOM 234 N VAL A 18 -1.239 7.477 -0.082 1.00 0.00 N ATOM 235 CA VAL A 18 -1.868 7.025 -1.318 1.00 0.00 C ATOM 236 C VAL A 18 -3.248 7.649 -1.525 1.00 0.00 C ATOM 237 O VAL A 18 -3.572 8.090 -2.625 1.00 0.00 O ATOM 238 CB VAL A 18 -1.930 5.496 -1.399 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.516 4.925 -1.317 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.755 4.942 -0.242 1.00 0.00 C ATOM 0 H VAL A 18 -1.195 6.776 0.658 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.234 7.371 -2.134 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.394 5.212 -2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.559 3.837 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.080 5.309 -2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.058 5.221 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.792 3.855 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.296 5.231 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.767 5.344 -0.292 1.00 0.00 H new ATOM 250 N GLU A 19 -4.060 7.682 -0.466 1.00 0.00 N ATOM 251 CA GLU A 19 -5.419 8.210 -0.587 1.00 0.00 C ATOM 252 C GLU A 19 -5.379 9.661 -0.999 1.00 0.00 C ATOM 253 O GLU A 19 -6.254 10.137 -1.726 1.00 0.00 O ATOM 254 CB GLU A 19 -6.163 8.121 0.753 1.00 0.00 C ATOM 255 CG GLU A 19 -6.472 6.671 1.140 1.00 0.00 C ATOM 256 CD GLU A 19 -7.136 6.632 2.516 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.323 7.687 3.109 1.00 0.00 O ATOM 258 OE2 GLU A 19 -7.458 5.562 2.964 1.00 0.00 O ATOM 0 H GLU A 19 -3.807 7.356 0.467 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.937 7.613 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.561 8.585 1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.093 8.686 0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.128 6.219 0.397 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.553 6.085 1.153 1.00 0.00 H new ATOM 265 N LYS A 20 -4.449 10.396 -0.412 1.00 0.00 N ATOM 266 CA LYS A 20 -4.395 11.834 -0.601 1.00 0.00 C ATOM 267 C LYS A 20 -3.450 12.213 -1.730 1.00 0.00 C ATOM 268 O LYS A 20 -3.277 13.395 -2.035 1.00 0.00 O ATOM 269 CB LYS A 20 -4.010 12.541 0.707 1.00 0.00 C ATOM 270 CG LYS A 20 -4.826 11.949 1.886 1.00 0.00 C ATOM 271 CD LYS A 20 -6.326 11.920 1.552 1.00 0.00 C ATOM 272 CE LYS A 20 -7.060 11.047 2.581 1.00 0.00 C ATOM 273 NZ LYS A 20 -7.051 11.719 3.905 1.00 0.00 N ATOM 0 H LYS A 20 -3.723 10.020 0.198 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.392 12.170 -0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.943 12.421 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.201 13.611 0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.478 10.939 2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.660 12.544 2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.732 12.932 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.479 11.525 0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.086 10.873 2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.579 10.072 2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.661 11.195 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.080 11.742 4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.406 12.691 3.803 1.00 0.00 H new ATOM 287 N ASN A 21 -2.890 11.212 -2.390 1.00 0.00 N ATOM 288 CA ASN A 21 -2.022 11.460 -3.535 1.00 0.00 C ATOM 289 C ASN A 21 -2.854 11.852 -4.741 1.00 0.00 C ATOM 290 O ASN A 21 -3.714 11.100 -5.184 1.00 0.00 O ATOM 291 CB ASN A 21 -1.171 10.231 -3.859 1.00 0.00 C ATOM 292 CG ASN A 21 -0.305 10.506 -5.081 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.825 10.796 -6.160 1.00 0.00 O ATOM 294 ND2 ASN A 21 0.987 10.449 -4.977 1.00 0.00 N ATOM 0 H ASN A 21 -3.018 10.227 -2.157 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.349 12.279 -3.281 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.541 9.979 -3.006 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.815 9.371 -4.045 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.573 10.644 -5.789 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.417 10.209 -4.084 1.00 0.00 H new ATOM 301 N LYS A 22 -2.650 13.066 -5.202 1.00 0.00 N ATOM 302 CA LYS A 22 -3.445 13.642 -6.275 1.00 0.00 C ATOM 303 C LYS A 22 -3.507 12.737 -7.500 1.00 0.00 C ATOM 304 O LYS A 22 -4.590 12.529 -8.083 1.00 0.00 O ATOM 305 CB LYS A 22 -2.902 15.035 -6.654 1.00 0.00 C ATOM 306 CG LYS A 22 -1.428 14.958 -7.136 1.00 0.00 C ATOM 307 CD LYS A 22 -0.490 14.628 -5.956 1.00 0.00 C ATOM 308 CE LYS A 22 0.885 15.286 -6.157 1.00 0.00 C ATOM 309 NZ LYS A 22 1.349 15.077 -7.552 1.00 0.00 N ATOM 0 H LYS A 22 -1.925 13.688 -4.844 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.465 13.745 -5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.521 15.467 -7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.970 15.700 -5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.331 14.196 -7.909 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.136 15.907 -7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.933 14.977 -5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.373 13.548 -5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.822 16.353 -5.942 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.606 14.862 -5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.388 15.109 -7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.022 14.150 -7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.963 15.825 -8.162 1.00 0.00 H new ATOM 323 N ASP A 23 -2.373 12.190 -7.890 1.00 0.00 N ATOM 324 CA ASP A 23 -2.341 11.302 -9.037 1.00 0.00 C ATOM 325 C ASP A 23 -3.160 10.067 -8.745 1.00 0.00 C ATOM 326 O ASP A 23 -4.024 9.679 -9.537 1.00 0.00 O ATOM 327 CB ASP A 23 -0.906 10.905 -9.378 1.00 0.00 C ATOM 328 CG ASP A 23 -0.866 10.237 -10.741 1.00 0.00 C ATOM 329 OD1 ASP A 23 -1.114 10.909 -11.714 1.00 0.00 O ATOM 330 OD2 ASP A 23 -0.582 9.071 -10.799 1.00 0.00 O ATOM 0 H ASP A 23 -1.472 12.341 -7.437 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.764 11.827 -9.894 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.265 11.787 -9.376 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.517 10.226 -8.619 1.00 0.00 H new ATOM 335 N ILE A 24 -2.951 9.501 -7.567 1.00 0.00 N ATOM 336 CA ILE A 24 -3.730 8.354 -7.134 1.00 0.00 C ATOM 337 C ILE A 24 -5.199 8.749 -6.974 1.00 0.00 C ATOM 338 O ILE A 24 -6.091 8.055 -7.457 1.00 0.00 O ATOM 339 CB ILE A 24 -3.173 7.757 -5.835 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.789 7.153 -6.097 1.00 0.00 C ATOM 341 CG2 ILE A 24 -4.107 6.645 -5.342 1.00 0.00 C ATOM 342 CD1 ILE A 24 -1.137 6.768 -4.770 1.00 0.00 C ATOM 0 H ILE A 24 -2.251 9.817 -6.896 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.658 7.582 -7.900 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.099 8.544 -5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.880 6.275 -6.737 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.162 7.871 -6.627 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.712 6.220 -4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.098 7.058 -5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.176 5.865 -6.100 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.153 6.339 -4.959 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.032 7.655 -4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.760 6.035 -4.258 1.00 0.00 H new ATOM 354 N ARG A 25 -5.443 9.915 -6.369 1.00 0.00 N ATOM 355 CA ARG A 25 -6.813 10.399 -6.213 1.00 0.00 C ATOM 356 C ARG A 25 -7.492 10.412 -7.547 1.00 0.00 C ATOM 357 O ARG A 25 -8.637 9.974 -7.685 1.00 0.00 O ATOM 358 CB ARG A 25 -6.825 11.840 -5.696 1.00 0.00 C ATOM 359 CG ARG A 25 -6.559 11.904 -4.192 1.00 0.00 C ATOM 360 CD ARG A 25 -6.509 13.384 -3.760 1.00 0.00 C ATOM 361 NE ARG A 25 -7.505 14.183 -4.502 1.00 0.00 N ATOM 362 CZ ARG A 25 -8.827 14.036 -4.332 1.00 0.00 C ATOM 363 NH1 ARG A 25 -9.279 13.194 -3.452 1.00 0.00 N ATOM 364 NH2 ARG A 25 -9.658 14.738 -5.041 1.00 0.00 N ATOM 0 H ARG A 25 -4.724 10.529 -5.987 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.321 9.739 -5.509 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.070 12.422 -6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.790 12.297 -5.915 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.343 11.378 -3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.618 11.409 -3.954 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.699 13.461 -2.690 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.511 13.785 -3.936 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.173 14.876 -5.172 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.628 12.645 -2.890 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.285 13.082 -3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.306 15.403 -5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.663 14.624 -4.910 1.00 0.00 H new ATOM 378 N SER A 26 -6.775 10.899 -8.522 1.00 0.00 N ATOM 379 CA SER A 26 -7.284 10.969 -9.859 1.00 0.00 C ATOM 380 C SER A 26 -7.596 9.562 -10.362 1.00 0.00 C ATOM 381 O SER A 26 -8.675 9.320 -10.896 1.00 0.00 O ATOM 382 CB SER A 26 -6.247 11.637 -10.739 1.00 0.00 C ATOM 383 OG SER A 26 -5.857 12.872 -10.135 1.00 0.00 O ATOM 0 H SER A 26 -5.826 11.256 -8.411 1.00 0.00 H new ATOM 0 HA SER A 26 -8.204 11.553 -9.885 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.381 10.987 -10.862 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.655 11.816 -11.734 1.00 0.00 H new ATOM 0 HG SER A 26 -5.079 12.723 -9.558 1.00 0.00 H new ATOM 389 N LEU A 27 -6.693 8.617 -10.089 1.00 0.00 N ATOM 390 CA LEU A 27 -6.926 7.211 -10.434 1.00 0.00 C ATOM 391 C LEU A 27 -8.110 6.681 -9.632 1.00 0.00 C ATOM 392 O LEU A 27 -8.975 5.977 -10.154 1.00 0.00 O ATOM 393 CB LEU A 27 -5.689 6.358 -10.108 1.00 0.00 C ATOM 394 CG LEU A 27 -4.514 6.764 -11.002 1.00 0.00 C ATOM 395 CD1 LEU A 27 -3.257 5.978 -10.599 1.00 0.00 C ATOM 396 CD2 LEU A 27 -4.844 6.502 -12.475 1.00 0.00 C ATOM 0 H LEU A 27 -5.799 8.797 -9.633 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.131 7.149 -11.503 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.418 6.484 -9.060 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.918 5.302 -10.254 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.329 7.830 -10.872 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.424 6.271 -11.238 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.010 6.195 -9.560 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.444 4.910 -10.713 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.998 6.797 -13.095 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.048 5.441 -12.619 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.722 7.082 -12.760 1.00 0.00 H new ATOM 408 N LEU A 28 -8.144 7.050 -8.356 1.00 0.00 N ATOM 409 CA LEU A 28 -9.203 6.621 -7.451 1.00 0.00 C ATOM 410 C LEU A 28 -10.503 7.344 -7.775 1.00 0.00 C ATOM 411 O LEU A 28 -11.562 7.030 -7.196 1.00 0.00 O ATOM 412 CB LEU A 28 -8.824 6.912 -5.979 1.00 0.00 C ATOM 413 CG LEU A 28 -7.583 6.118 -5.533 1.00 0.00 C ATOM 414 CD1 LEU A 28 -7.248 6.487 -4.081 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.852 4.610 -5.618 1.00 0.00 C ATOM 0 H LEU A 28 -7.443 7.651 -7.923 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.335 5.547 -7.583 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.634 7.979 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.665 6.662 -5.332 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.749 6.366 -6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.370 5.929 -3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.043 7.556 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.093 6.239 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.964 4.064 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.689 4.353 -4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.094 4.341 -6.646 1.00 0.00 H new ATOM 427 N GLN A 29 -10.405 8.403 -8.575 1.00 0.00 N ATOM 428 CA GLN A 29 -11.546 9.271 -8.828 1.00 0.00 C ATOM 429 C GLN A 29 -12.011 9.828 -7.482 1.00 0.00 C ATOM 430 O GLN A 29 -13.205 9.934 -7.214 1.00 0.00 O ATOM 431 CB GLN A 29 -12.691 8.469 -9.484 1.00 0.00 C ATOM 432 CG GLN A 29 -12.147 7.546 -10.593 1.00 0.00 C ATOM 433 CD GLN A 29 -11.567 8.361 -11.736 1.00 0.00 C ATOM 434 OE1 GLN A 29 -12.137 9.383 -12.118 1.00 0.00 O ATOM 435 NE2 GLN A 29 -10.476 7.971 -12.316 1.00 0.00 N ATOM 0 H GLN A 29 -9.549 8.678 -9.057 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.265 10.078 -9.504 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.204 7.874 -8.728 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.427 9.154 -9.904 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.380 6.890 -10.182 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.947 6.907 -10.966 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.004 7.124 -11.999 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.089 8.511 -13.090 1.00 0.00 H new ATOM 444 N CYS A 30 -11.041 9.997 -6.590 1.00 0.00 N ATOM 445 CA CYS A 30 -11.284 10.329 -5.182 1.00 0.00 C ATOM 446 C CYS A 30 -11.995 11.674 -4.995 1.00 0.00 C ATOM 447 O CYS A 30 -11.514 12.553 -4.255 1.00 0.00 O ATOM 448 CB CYS A 30 -9.959 10.305 -4.413 1.00 0.00 C ATOM 449 SG CYS A 30 -10.276 10.403 -2.640 1.00 0.00 S ATOM 0 H CYS A 30 -10.052 9.907 -6.822 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.959 9.572 -4.782 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.411 9.391 -4.643 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.332 11.140 -4.726 1.00 0.00 H new ATOM 0 HG CYS A 30 -11.017 11.441 -2.388 1.00 0.00 H new ATOM 455 N ASP A 31 -13.168 11.808 -5.601 1.00 0.00 N ATOM 456 CA ASP A 31 -13.990 13.005 -5.444 1.00 0.00 C ATOM 457 C ASP A 31 -15.182 12.749 -4.540 1.00 0.00 C ATOM 458 O ASP A 31 -16.004 11.877 -4.819 1.00 0.00 O ATOM 459 CB ASP A 31 -14.460 13.541 -6.799 1.00 0.00 C ATOM 460 CG ASP A 31 -15.017 14.942 -6.637 1.00 0.00 C ATOM 461 OD1 ASP A 31 -16.076 15.082 -6.065 1.00 0.00 O ATOM 462 OD2 ASP A 31 -14.367 15.865 -7.065 1.00 0.00 O ATOM 0 H ASP A 31 -13.575 11.098 -6.210 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.362 13.762 -4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.629 13.550 -7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.223 12.883 -7.215 1.00 0.00 H new ATOM 467 N ASP A 32 -15.303 13.530 -3.483 1.00 0.00 N ATOM 468 CA ASP A 32 -16.472 13.441 -2.610 1.00 0.00 C ATOM 469 C ASP A 32 -17.458 14.518 -3.005 1.00 0.00 C ATOM 470 O ASP A 32 -17.201 15.704 -2.792 1.00 0.00 O ATOM 471 CB ASP A 32 -16.077 13.622 -1.137 1.00 0.00 C ATOM 472 CG ASP A 32 -15.268 12.443 -0.656 1.00 0.00 C ATOM 473 OD1 ASP A 32 -15.717 11.326 -0.806 1.00 0.00 O ATOM 474 OD2 ASP A 32 -14.198 12.665 -0.144 1.00 0.00 O ATOM 0 H ASP A 32 -14.615 14.230 -3.204 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.921 12.454 -2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.499 14.539 -1.020 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.973 13.729 -0.525 1.00 0.00 H new ATOM 479 N GLY A 33 -18.590 14.119 -3.553 1.00 0.00 N ATOM 480 CA GLY A 33 -19.602 15.076 -4.001 1.00 0.00 C ATOM 481 C GLY A 33 -19.866 14.913 -5.490 1.00 0.00 C ATOM 482 O GLY A 33 -20.834 15.457 -6.024 1.00 0.00 O ATOM 0 H GLY A 33 -18.838 13.141 -3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.526 14.925 -3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -19.267 16.092 -3.794 1.00 0.00 H new ATOM 486 N ILE A 34 -19.041 14.109 -6.145 1.00 0.00 N ATOM 487 CA ILE A 34 -19.212 13.814 -7.563 1.00 0.00 C ATOM 488 C ILE A 34 -20.526 13.095 -7.809 1.00 0.00 C ATOM 489 O ILE A 34 -21.281 13.444 -8.718 1.00 0.00 O ATOM 490 CB ILE A 34 -18.039 12.962 -8.059 1.00 0.00 C ATOM 491 CG1 ILE A 34 -18.333 12.444 -9.467 1.00 0.00 C ATOM 492 CG2 ILE A 34 -17.778 11.774 -7.113 1.00 0.00 C ATOM 493 CD1 ILE A 34 -17.070 11.851 -10.057 1.00 0.00 C ATOM 0 H ILE A 34 -18.241 13.646 -5.715 1.00 0.00 H new ATOM 0 HA ILE A 34 -19.231 14.753 -8.115 1.00 0.00 H new ATOM 0 HB ILE A 34 -17.147 13.588 -8.078 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -19.120 11.691 -9.433 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -18.696 13.256 -10.097 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.940 11.186 -7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -17.541 12.147 -6.117 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -18.668 11.146 -7.063 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -17.277 11.481 -11.061 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -16.296 12.617 -10.105 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -16.727 11.028 -9.430 1.00 0.00 H new ATOM 505 N THR A 35 -20.824 12.144 -6.957 1.00 0.00 N ATOM 506 CA THR A 35 -22.080 11.427 -7.006 1.00 0.00 C ATOM 507 C THR A 35 -22.552 11.235 -5.577 1.00 0.00 C ATOM 508 O THR A 35 -22.582 10.106 -5.066 1.00 0.00 O ATOM 509 CB THR A 35 -21.914 10.072 -7.754 1.00 0.00 C ATOM 510 OG1 THR A 35 -21.604 9.009 -6.852 1.00 0.00 O ATOM 511 CG2 THR A 35 -20.797 10.173 -8.781 1.00 0.00 C ATOM 0 H THR A 35 -20.202 11.843 -6.207 1.00 0.00 H new ATOM 0 HA THR A 35 -22.827 11.992 -7.564 1.00 0.00 H new ATOM 0 HB THR A 35 -22.863 9.856 -8.245 1.00 0.00 H new ATOM 0 HG1 THR A 35 -22.338 8.899 -6.212 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.690 9.219 -9.298 1.00 0.00 H new ATOM 0 HG22 THR A 35 -21.037 10.953 -9.504 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.862 10.420 -8.278 1.00 0.00 H new ATOM 519 N GLY A 36 -22.564 12.335 -4.850 1.00 0.00 N ATOM 520 CA GLY A 36 -22.616 12.265 -3.414 1.00 0.00 C ATOM 521 C GLY A 36 -21.191 12.092 -2.937 1.00 0.00 C ATOM 522 O GLY A 36 -20.253 12.204 -3.745 1.00 0.00 O ATOM 0 H GLY A 36 -22.538 13.280 -5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -23.056 13.171 -2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -23.237 11.430 -3.089 1.00 0.00 H new ATOM 526 N LYS A 37 -20.996 11.766 -1.680 1.00 0.00 N ATOM 527 CA LYS A 37 -19.646 11.527 -1.203 1.00 0.00 C ATOM 528 C LYS A 37 -19.488 10.060 -0.862 1.00 0.00 C ATOM 529 O LYS A 37 -20.138 9.559 0.050 1.00 0.00 O ATOM 530 CB LYS A 37 -19.372 12.397 0.039 1.00 0.00 C ATOM 531 CG LYS A 37 -19.474 13.893 -0.331 1.00 0.00 C ATOM 532 CD LYS A 37 -20.935 14.378 -0.261 1.00 0.00 C ATOM 533 CE LYS A 37 -21.356 14.583 1.203 1.00 0.00 C ATOM 534 NZ LYS A 37 -21.841 15.970 1.397 1.00 0.00 N ATOM 0 H LYS A 37 -21.732 11.661 -0.981 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.929 11.792 -1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -20.088 12.159 0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.380 12.179 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.858 14.483 0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.082 14.051 -1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -21.043 15.312 -0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -21.591 13.649 -0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -22.140 13.874 1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.512 14.387 1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.124 16.103 2.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -21.081 16.640 1.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -22.658 16.142 0.777 1.00 0.00 H new ATOM 548 N GLU A 38 -18.568 9.392 -1.549 1.00 0.00 N ATOM 549 CA GLU A 38 -18.296 7.987 -1.282 1.00 0.00 C ATOM 550 C GLU A 38 -17.266 7.842 -0.194 1.00 0.00 C ATOM 551 O GLU A 38 -16.337 8.649 -0.108 1.00 0.00 O ATOM 552 CB GLU A 38 -17.862 7.237 -2.546 1.00 0.00 C ATOM 553 CG GLU A 38 -18.782 6.037 -2.792 1.00 0.00 C ATOM 554 CD GLU A 38 -19.013 5.279 -1.498 1.00 0.00 C ATOM 555 OE1 GLU A 38 -18.118 4.606 -1.068 1.00 0.00 O ATOM 556 OE2 GLU A 38 -20.084 5.392 -0.950 1.00 0.00 O ATOM 0 H GLU A 38 -18.001 9.800 -2.292 1.00 0.00 H new ATOM 0 HA GLU A 38 -19.227 7.534 -0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -17.891 7.909 -3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.831 6.899 -2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -19.735 6.377 -3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -18.337 5.375 -3.535 1.00 0.00 H new ATOM 563 N ARG A 39 -17.366 6.792 0.574 1.00 0.00 N ATOM 564 CA ARG A 39 -16.414 6.558 1.641 1.00 0.00 C ATOM 565 C ARG A 39 -15.258 5.719 1.132 1.00 0.00 C ATOM 566 O ARG A 39 -15.465 4.614 0.633 1.00 0.00 O ATOM 567 CB ARG A 39 -17.097 5.816 2.797 1.00 0.00 C ATOM 568 CG ARG A 39 -18.328 6.591 3.277 1.00 0.00 C ATOM 569 CD ARG A 39 -17.926 7.941 3.882 1.00 0.00 C ATOM 570 NE ARG A 39 -19.111 8.603 4.417 1.00 0.00 N ATOM 571 CZ ARG A 39 -19.861 9.425 3.679 1.00 0.00 C ATOM 572 NH1 ARG A 39 -19.525 9.686 2.441 1.00 0.00 N ATOM 573 NH2 ARG A 39 -20.921 9.964 4.195 1.00 0.00 N ATOM 0 H ARG A 39 -18.093 6.082 0.487 1.00 0.00 H new ATOM 0 HA ARG A 39 -16.040 7.520 1.991 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -17.392 4.818 2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.395 5.689 3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -19.010 6.751 2.442 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -18.866 6.002 4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -17.190 7.793 4.672 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -17.457 8.567 3.123 1.00 0.00 H new ATOM 0 HE ARG A 39 -19.375 8.432 5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -18.689 9.261 2.039 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -20.099 10.314 1.878 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -21.179 9.759 5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -21.497 10.593 3.636 1.00 0.00 H new ATOM 587 N LEU A 40 -14.043 6.194 1.349 1.00 0.00 N ATOM 588 CA LEU A 40 -12.861 5.427 0.981 1.00 0.00 C ATOM 589 C LEU A 40 -12.671 4.295 1.971 1.00 0.00 C ATOM 590 O LEU A 40 -12.855 4.476 3.187 1.00 0.00 O ATOM 591 CB LEU A 40 -11.606 6.310 1.005 1.00 0.00 C ATOM 592 CG LEU A 40 -11.620 7.291 -0.172 1.00 0.00 C ATOM 593 CD1 LEU A 40 -12.291 8.600 0.255 1.00 0.00 C ATOM 594 CD2 LEU A 40 -10.180 7.574 -0.611 1.00 0.00 C ATOM 0 H LEU A 40 -13.848 7.100 1.775 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.005 5.038 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.559 6.860 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.714 5.686 0.956 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.178 6.856 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.299 9.295 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.315 8.398 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.737 9.039 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.185 8.272 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.625 8.009 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.703 6.643 -0.918 1.00 0.00 H new ATOM 606 N LYS A 41 -12.312 3.139 1.473 1.00 0.00 N ATOM 607 CA LYS A 41 -12.047 2.006 2.333 1.00 0.00 C ATOM 608 C LYS A 41 -10.780 1.315 1.897 1.00 0.00 C ATOM 609 O LYS A 41 -10.569 1.124 0.703 1.00 0.00 O ATOM 610 CB LYS A 41 -13.223 1.018 2.316 1.00 0.00 C ATOM 611 CG LYS A 41 -14.477 1.682 2.905 1.00 0.00 C ATOM 612 CD LYS A 41 -14.696 1.193 4.344 1.00 0.00 C ATOM 613 CE LYS A 41 -13.670 1.845 5.280 1.00 0.00 C ATOM 614 NZ LYS A 41 -13.763 3.330 5.183 1.00 0.00 N ATOM 0 H LYS A 41 -12.196 2.954 0.477 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.923 2.369 3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.420 0.692 1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.969 0.128 2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.366 2.766 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.347 1.444 2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.707 1.438 4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.602 0.108 4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.849 1.527 6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.665 1.517 5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.460 3.756 6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.148 3.667 4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.746 3.604 4.984 1.00 0.00 H new ATOM 628 N ALA A 42 -9.994 0.860 2.865 1.00 0.00 N ATOM 629 CA ALA A 42 -8.792 0.090 2.580 1.00 0.00 C ATOM 630 C ALA A 42 -8.771 -1.152 3.453 1.00 0.00 C ATOM 631 O ALA A 42 -9.279 -1.123 4.573 1.00 0.00 O ATOM 632 CB ALA A 42 -7.532 0.929 2.793 1.00 0.00 C ATOM 0 H ALA A 42 -10.170 1.012 3.858 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.806 -0.209 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.651 0.326 2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.555 1.794 2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.490 1.266 3.829 1.00 0.00 H new ATOM 638 N TYR A 43 -8.375 -2.273 2.882 1.00 0.00 N ATOM 639 CA TYR A 43 -8.529 -3.556 3.568 1.00 0.00 C ATOM 640 C TYR A 43 -7.621 -4.643 3.001 1.00 0.00 C ATOM 641 O TYR A 43 -7.044 -4.492 1.914 1.00 0.00 O ATOM 642 CB TYR A 43 -9.982 -4.003 3.474 1.00 0.00 C ATOM 643 CG TYR A 43 -10.428 -3.843 2.044 1.00 0.00 C ATOM 644 CD1 TYR A 43 -10.132 -4.828 1.105 1.00 0.00 C ATOM 645 CD2 TYR A 43 -11.128 -2.698 1.653 1.00 0.00 C ATOM 646 CE1 TYR A 43 -10.543 -4.682 -0.213 1.00 0.00 C ATOM 647 CE2 TYR A 43 -11.536 -2.551 0.329 1.00 0.00 C ATOM 648 CZ TYR A 43 -11.236 -3.547 -0.607 1.00 0.00 C ATOM 649 OH TYR A 43 -11.644 -3.424 -1.913 1.00 0.00 O ATOM 0 H TYR A 43 -7.949 -2.330 1.957 1.00 0.00 H new ATOM 0 HA TYR A 43 -8.237 -3.407 4.608 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.082 -5.041 3.790 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.608 -3.406 4.137 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.581 -5.708 1.403 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.352 -1.928 2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.322 -5.455 -0.934 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.083 -1.670 0.026 1.00 0.00 H new ATOM 0 HH TYR A 43 -12.620 -3.504 -1.960 1.00 0.00 H new ATOM 659 N GLY A 44 -7.578 -5.776 3.702 1.00 0.00 N ATOM 660 CA GLY A 44 -6.867 -6.942 3.248 1.00 0.00 C ATOM 661 C GLY A 44 -7.612 -7.563 2.080 1.00 0.00 C ATOM 662 O GLY A 44 -8.844 -7.560 2.046 1.00 0.00 O ATOM 0 H GLY A 44 -8.041 -5.898 4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.856 -6.670 2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.774 -7.664 4.059 1.00 0.00 H new ATOM 666 N GLU A 45 -6.865 -7.975 1.093 1.00 0.00 N ATOM 667 CA GLU A 45 -7.404 -8.477 -0.165 1.00 0.00 C ATOM 668 C GLU A 45 -8.594 -9.436 -0.025 1.00 0.00 C ATOM 669 O GLU A 45 -8.562 -10.408 0.734 1.00 0.00 O ATOM 670 CB GLU A 45 -6.296 -9.130 -0.961 1.00 0.00 C ATOM 671 CG GLU A 45 -5.441 -8.049 -1.611 1.00 0.00 C ATOM 672 CD GLU A 45 -4.295 -8.651 -2.407 1.00 0.00 C ATOM 673 OE1 GLU A 45 -4.173 -9.861 -2.431 1.00 0.00 O ATOM 674 OE2 GLU A 45 -3.558 -7.893 -2.987 1.00 0.00 O ATOM 0 H GLU A 45 -5.846 -7.976 1.130 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.803 -7.608 -0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.683 -9.753 -0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.717 -9.785 -1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.061 -7.439 -2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.043 -7.387 -0.842 1.00 0.00 H new ATOM 881 N PRO A 57 -3.414 -9.553 5.527 1.00 0.00 N ATOM 882 CA PRO A 57 -4.291 -8.462 6.013 1.00 0.00 C ATOM 883 C PRO A 57 -3.444 -7.219 6.213 1.00 0.00 C ATOM 884 O PRO A 57 -2.221 -7.315 6.189 1.00 0.00 O ATOM 885 CB PRO A 57 -4.817 -8.991 7.344 1.00 0.00 C ATOM 886 CG PRO A 57 -3.720 -9.864 7.854 1.00 0.00 C ATOM 887 CD PRO A 57 -3.078 -10.499 6.621 1.00 0.00 C ATOM 0 HA PRO A 57 -5.101 -8.197 5.333 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.033 -8.178 8.037 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.742 -9.552 7.211 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.990 -9.284 8.418 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.110 -10.627 8.527 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.000 -10.607 6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.479 -11.494 6.428 1.00 0.00 H new ATOM 895 N ILE A 58 -4.060 -6.056 6.340 1.00 0.00 N ATOM 896 CA ILE A 58 -3.288 -4.838 6.511 1.00 0.00 C ATOM 897 C ILE A 58 -2.334 -4.988 7.699 1.00 0.00 C ATOM 898 O ILE A 58 -2.669 -4.632 8.839 1.00 0.00 O ATOM 899 CB ILE A 58 -4.210 -3.634 6.731 1.00 0.00 C ATOM 900 CG1 ILE A 58 -5.103 -3.431 5.503 1.00 0.00 C ATOM 901 CG2 ILE A 58 -3.366 -2.381 6.936 1.00 0.00 C ATOM 902 CD1 ILE A 58 -6.212 -2.436 5.842 1.00 0.00 C ATOM 0 H ILE A 58 -5.072 -5.930 6.328 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.710 -4.667 5.603 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.830 -3.817 7.609 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.511 -3.061 4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.535 -4.382 5.192 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.020 -1.523 7.093 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.725 -2.513 7.808 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.748 -2.210 6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.849 -2.290 4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.810 -2.824 6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.770 -1.483 6.132 1.00 0.00 H new ATOM 914 N VAL A 59 -1.182 -5.543 7.420 1.00 0.00 N ATOM 915 CA VAL A 59 -0.142 -5.779 8.391 1.00 0.00 C ATOM 916 C VAL A 59 1.188 -5.686 7.680 1.00 0.00 C ATOM 917 O VAL A 59 1.230 -5.395 6.481 1.00 0.00 O ATOM 918 CB VAL A 59 -0.306 -7.180 9.028 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.727 -7.335 9.573 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.046 -8.272 7.975 1.00 0.00 C ATOM 0 H VAL A 59 -0.933 -5.853 6.481 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.200 -5.038 9.189 1.00 0.00 H new ATOM 0 HB VAL A 59 0.413 -7.284 9.841 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.839 -8.322 10.021 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.912 -6.571 10.328 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.443 -7.222 8.759 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.164 -9.254 8.433 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.758 -8.165 7.157 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.968 -8.171 7.589 1.00 0.00 H new ATOM 930 N SER A 60 2.245 -6.096 8.345 1.00 0.00 N ATOM 931 CA SER A 60 3.504 -6.247 7.667 1.00 0.00 C ATOM 932 C SER A 60 4.202 -7.495 8.132 1.00 0.00 C ATOM 933 O SER A 60 4.256 -7.773 9.342 1.00 0.00 O ATOM 934 CB SER A 60 4.411 -5.006 7.822 1.00 0.00 C ATOM 935 OG SER A 60 4.641 -4.712 9.210 1.00 0.00 O ATOM 0 H SER A 60 2.255 -6.327 9.339 1.00 0.00 H new ATOM 0 HA SER A 60 3.292 -6.342 6.602 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.363 -5.181 7.320 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.947 -4.148 7.336 1.00 0.00 H new ATOM 0 HG SER A 60 5.398 -4.095 9.293 1.00 0.00 H new ATOM 941 N THR A 61 4.796 -8.210 7.211 1.00 0.00 N ATOM 942 CA THR A 61 5.570 -9.371 7.565 1.00 0.00 C ATOM 943 C THR A 61 6.883 -8.914 8.168 1.00 0.00 C ATOM 944 O THR A 61 7.147 -7.694 8.246 1.00 0.00 O ATOM 945 CB THR A 61 5.801 -10.255 6.331 1.00 0.00 C ATOM 946 OG1 THR A 61 6.471 -9.496 5.340 1.00 0.00 O ATOM 947 CG2 THR A 61 4.453 -10.727 5.778 1.00 0.00 C ATOM 0 H THR A 61 4.758 -8.009 6.212 1.00 0.00 H new ATOM 0 HA THR A 61 5.031 -9.970 8.299 1.00 0.00 H new ATOM 0 HB THR A 61 6.402 -11.121 6.608 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.765 -10.089 4.617 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.619 -11.354 4.902 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.927 -11.301 6.541 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.852 -9.862 5.496 1.00 0.00 H new ATOM 955 N LYS A 62 7.645 -9.840 8.694 1.00 0.00 N ATOM 956 CA LYS A 62 8.900 -9.505 9.317 1.00 0.00 C ATOM 957 C LYS A 62 9.985 -10.412 8.791 1.00 0.00 C ATOM 958 O LYS A 62 10.147 -11.538 9.274 1.00 0.00 O ATOM 959 CB LYS A 62 8.791 -9.647 10.843 1.00 0.00 C ATOM 960 CG LYS A 62 7.666 -8.735 11.367 1.00 0.00 C ATOM 961 CD LYS A 62 8.043 -7.263 11.191 1.00 0.00 C ATOM 962 CE LYS A 62 6.786 -6.408 11.333 1.00 0.00 C ATOM 963 NZ LYS A 62 6.046 -6.425 10.039 1.00 0.00 N ATOM 0 H LYS A 62 7.417 -10.834 8.703 1.00 0.00 H new ATOM 0 HA LYS A 62 9.149 -8.471 9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.586 -10.684 11.108 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.738 -9.380 11.312 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.740 -8.946 10.832 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.480 -8.945 12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.783 -6.972 11.937 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.497 -7.105 10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.155 -6.794 12.134 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.053 -5.386 11.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.685 -5.472 9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.687 -6.724 9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.250 -7.091 10.103 1.00 0.00 H new ATOM 977 N LYS A 63 10.782 -9.899 7.874 1.00 0.00 N ATOM 978 CA LYS A 63 11.931 -10.633 7.395 1.00 0.00 C ATOM 979 C LYS A 63 13.172 -9.848 7.740 1.00 0.00 C ATOM 980 O LYS A 63 13.192 -8.624 7.590 1.00 0.00 O ATOM 981 CB LYS A 63 11.867 -10.865 5.877 1.00 0.00 C ATOM 982 CG LYS A 63 10.579 -11.631 5.519 1.00 0.00 C ATOM 983 CD LYS A 63 10.744 -12.346 4.166 1.00 0.00 C ATOM 984 CE LYS A 63 10.662 -11.339 3.009 1.00 0.00 C ATOM 985 NZ LYS A 63 10.628 -12.055 1.711 1.00 0.00 N ATOM 0 H LYS A 63 10.654 -8.981 7.449 1.00 0.00 H new ATOM 0 HA LYS A 63 11.947 -11.613 7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.890 -9.910 5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.740 -11.430 5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.352 -12.359 6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.737 -10.940 5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.702 -12.864 4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.968 -13.103 4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.770 -10.722 3.116 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.520 -10.667 3.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.573 -11.365 0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.492 -12.625 1.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.796 -12.678 1.680 1.00 0.00 H new ATOM 999 N LEU A 64 14.174 -10.524 8.251 1.00 0.00 N ATOM 1000 CA LEU A 64 15.400 -9.863 8.658 1.00 0.00 C ATOM 1001 C LEU A 64 16.572 -10.455 7.905 1.00 0.00 C ATOM 1002 O LEU A 64 16.712 -11.685 7.841 1.00 0.00 O ATOM 1003 CB LEU A 64 15.578 -10.004 10.182 1.00 0.00 C ATOM 1004 CG LEU A 64 16.874 -9.332 10.647 1.00 0.00 C ATOM 1005 CD1 LEU A 64 16.873 -7.871 10.220 1.00 0.00 C ATOM 1006 CD2 LEU A 64 16.930 -9.377 12.174 1.00 0.00 C ATOM 0 H LEU A 64 14.168 -11.534 8.397 1.00 0.00 H new ATOM 0 HA LEU A 64 15.349 -8.801 8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.727 -9.555 10.694 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.593 -11.059 10.454 1.00 0.00 H new ATOM 0 HG LEU A 64 17.727 -9.850 10.210 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.796 -7.394 10.552 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.803 -7.809 9.134 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.020 -7.362 10.668 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.848 -8.902 12.519 1.00 0.00 H new ATOM 0 HD22 LEU A 64 16.071 -8.847 12.585 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.911 -10.414 12.508 1.00 0.00 H new ATOM 1018 N ASP A 65 17.362 -9.593 7.265 1.00 0.00 N ATOM 1019 CA ASP A 65 18.486 -10.045 6.443 1.00 0.00 C ATOM 1020 C ASP A 65 19.808 -9.529 6.973 1.00 0.00 C ATOM 1021 O ASP A 65 19.854 -8.815 7.983 1.00 0.00 O ATOM 1022 CB ASP A 65 18.320 -9.600 4.971 1.00 0.00 C ATOM 1023 CG ASP A 65 18.432 -10.780 4.004 1.00 0.00 C ATOM 1024 OD1 ASP A 65 18.627 -11.889 4.451 1.00 0.00 O ATOM 1025 OD2 ASP A 65 18.342 -10.554 2.820 1.00 0.00 O ATOM 0 H ASP A 65 17.245 -8.580 7.299 1.00 0.00 H new ATOM 0 HA ASP A 65 18.489 -11.134 6.490 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.351 -9.117 4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 65 19.080 -8.858 4.728 1.00 0.00 H new ATOM 1030 N LYS A 66 20.860 -9.795 6.206 1.00 0.00 N ATOM 1031 CA LYS A 66 22.216 -9.322 6.497 1.00 0.00 C ATOM 1032 C LYS A 66 22.212 -7.851 6.877 1.00 0.00 C ATOM 1033 O LYS A 66 23.153 -7.352 7.501 1.00 0.00 O ATOM 1034 CB LYS A 66 23.109 -9.518 5.260 1.00 0.00 C ATOM 1035 CG LYS A 66 22.555 -8.691 4.078 1.00 0.00 C ATOM 1036 CD LYS A 66 21.769 -9.596 3.123 1.00 0.00 C ATOM 1037 CE LYS A 66 20.857 -8.738 2.234 1.00 0.00 C ATOM 1038 NZ LYS A 66 20.037 -9.619 1.372 1.00 0.00 N ATOM 0 H LYS A 66 20.798 -10.352 5.354 1.00 0.00 H new ATOM 0 HA LYS A 66 22.603 -9.900 7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 66 24.130 -9.209 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 66 23.147 -10.574 4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 66 21.910 -7.896 4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 66 23.375 -8.211 3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 66 22.456 -10.174 2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.173 -10.310 3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 66 20.212 -8.113 2.852 1.00 0.00 H new ATOM 0 HE3 LYS A 66 21.457 -8.067 1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.469 -9.038 0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.660 -10.244 0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 19.405 -10.194 1.965 1.00 0.00 H new ATOM 1052 N GLU A 67 21.158 -7.161 6.498 1.00 0.00 N ATOM 1053 CA GLU A 67 21.042 -5.755 6.789 1.00 0.00 C ATOM 1054 C GLU A 67 21.007 -5.538 8.287 1.00 0.00 C ATOM 1055 O GLU A 67 21.384 -4.481 8.772 1.00 0.00 O ATOM 1056 CB GLU A 67 19.761 -5.173 6.178 1.00 0.00 C ATOM 1057 CG GLU A 67 19.833 -5.186 4.646 1.00 0.00 C ATOM 1058 CD GLU A 67 18.586 -4.532 4.054 1.00 0.00 C ATOM 1059 OE1 GLU A 67 17.934 -3.789 4.762 1.00 0.00 O ATOM 1060 OE2 GLU A 67 18.320 -4.750 2.898 1.00 0.00 O ATOM 0 H GLU A 67 20.369 -7.555 5.986 1.00 0.00 H new ATOM 0 HA GLU A 67 21.906 -5.251 6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.899 -5.751 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 67 19.616 -4.152 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.724 -4.655 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 67 19.920 -6.212 4.287 1.00 0.00 H new ATOM 1067 N GLY A 68 20.377 -6.464 8.984 1.00 0.00 N ATOM 1068 CA GLY A 68 20.106 -6.283 10.400 1.00 0.00 C ATOM 1069 C GLY A 68 18.874 -5.421 10.541 1.00 0.00 C ATOM 1070 O GLY A 68 18.370 -5.194 11.650 1.00 0.00 O ATOM 0 H GLY A 68 20.044 -7.347 8.596 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.952 -7.248 10.883 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.957 -5.812 10.892 1.00 0.00 H new ATOM 1074 N ARG A 69 18.331 -5.036 9.394 1.00 0.00 N ATOM 1075 CA ARG A 69 17.111 -4.271 9.326 1.00 0.00 C ATOM 1076 C ARG A 69 15.972 -5.238 9.046 1.00 0.00 C ATOM 1077 O ARG A 69 16.068 -6.055 8.123 1.00 0.00 O ATOM 1078 CB ARG A 69 17.189 -3.305 8.138 1.00 0.00 C ATOM 1079 CG ARG A 69 18.457 -2.440 8.203 1.00 0.00 C ATOM 1080 CD ARG A 69 18.362 -1.416 9.332 1.00 0.00 C ATOM 1081 NE ARG A 69 19.506 -0.507 9.258 1.00 0.00 N ATOM 1082 CZ ARG A 69 20.086 0.024 10.336 1.00 0.00 C ATOM 1083 NH1 ARG A 69 19.624 -0.226 11.523 1.00 0.00 N ATOM 1084 NH2 ARG A 69 21.114 0.805 10.193 1.00 0.00 N ATOM 0 H ARG A 69 18.734 -5.252 8.482 1.00 0.00 H new ATOM 0 HA ARG A 69 16.960 -3.723 10.256 1.00 0.00 H new ATOM 0 HB2 ARG A 69 17.179 -3.870 7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.308 -2.663 8.131 1.00 0.00 H new ATOM 0 HG2 ARG A 69 19.328 -3.076 8.357 1.00 0.00 H new ATOM 0 HG3 ARG A 69 18.601 -1.927 7.252 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.431 -0.855 9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.347 -1.922 10.297 1.00 0.00 H new ATOM 0 HE ARG A 69 19.878 -0.268 8.339 1.00 0.00 H new ATOM 0 HH11 ARG A 69 18.812 -0.832 11.637 1.00 0.00 H new ATOM 0 HH12 ARG A 69 20.073 0.184 12.342 1.00 0.00 H new ATOM 0 HH21 ARG A 69 21.473 1.009 9.261 1.00 0.00 H new ATOM 0 HH22 ARG A 69 21.562 1.214 11.013 1.00 0.00 H new ATOM 1098 N THR A 70 14.914 -5.162 9.815 1.00 0.00 N ATOM 1099 CA THR A 70 13.785 -6.056 9.613 1.00 0.00 C ATOM 1100 C THR A 70 12.820 -5.469 8.586 1.00 0.00 C ATOM 1101 O THR A 70 12.441 -4.298 8.680 1.00 0.00 O ATOM 1102 CB THR A 70 13.094 -6.340 10.947 1.00 0.00 C ATOM 1103 OG1 THR A 70 14.091 -6.695 11.907 1.00 0.00 O ATOM 1104 CG2 THR A 70 12.101 -7.498 10.783 1.00 0.00 C ATOM 0 H THR A 70 14.804 -4.499 10.582 1.00 0.00 H new ATOM 0 HA THR A 70 14.144 -7.006 9.218 1.00 0.00 H new ATOM 0 HB THR A 70 12.550 -5.456 11.280 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.664 -6.879 12.770 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.612 -7.696 11.737 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.351 -7.231 10.039 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.634 -8.391 10.457 1.00 0.00 H new ATOM 1112 N HIS A 71 12.493 -6.264 7.576 1.00 0.00 N ATOM 1113 CA HIS A 71 11.664 -5.826 6.451 1.00 0.00 C ATOM 1114 C HIS A 71 10.188 -5.956 6.774 1.00 0.00 C ATOM 1115 O HIS A 71 9.706 -7.049 7.089 1.00 0.00 O ATOM 1116 CB HIS A 71 11.985 -6.695 5.228 1.00 0.00 C ATOM 1117 CG HIS A 71 11.741 -5.967 3.911 1.00 0.00 C ATOM 1118 ND1 HIS A 71 12.758 -5.803 2.979 1.00 0.00 N ATOM 1119 CD2 HIS A 71 10.604 -5.433 3.316 1.00 0.00 C ATOM 1120 CE1 HIS A 71 12.228 -5.212 1.890 1.00 0.00 C ATOM 1121 NE2 HIS A 71 10.921 -4.965 2.036 1.00 0.00 N ATOM 0 H HIS A 71 12.795 -7.236 7.510 1.00 0.00 H new ATOM 0 HA HIS A 71 11.882 -4.778 6.248 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.027 -7.012 5.276 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.375 -7.598 5.258 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.626 -5.386 3.772 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.792 -4.966 1.003 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.292 -4.530 1.361 1.00 0.00 H new ATOM 1130 N HIS A 72 9.461 -4.879 6.556 1.00 0.00 N ATOM 1131 CA HIS A 72 8.014 -4.874 6.643 1.00 0.00 C ATOM 1132 C HIS A 72 7.463 -4.959 5.235 1.00 0.00 C ATOM 1133 O HIS A 72 7.568 -3.993 4.484 1.00 0.00 O ATOM 1134 CB HIS A 72 7.513 -3.533 7.218 1.00 0.00 C ATOM 1135 CG HIS A 72 7.738 -3.397 8.692 1.00 0.00 C ATOM 1136 ND1 HIS A 72 6.691 -3.473 9.599 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.854 -3.088 9.426 1.00 0.00 C ATOM 1138 CE1 HIS A 72 7.195 -3.199 10.815 1.00 0.00 C ATOM 1139 NE2 HIS A 72 8.509 -2.959 10.768 1.00 0.00 N ATOM 0 H HIS A 72 9.862 -3.974 6.311 1.00 0.00 H new ATOM 0 HA HIS A 72 7.697 -5.703 7.275 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.017 -2.715 6.704 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.448 -3.432 7.010 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.849 -2.964 9.024 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.608 -3.176 11.721 1.00 0.00 H new ATOM 0 HE2 HIS A 72 9.126 -2.731 11.548 1.00 0.00 H new ATOM 1148 N TYR A 73 6.783 -6.044 4.914 1.00 0.00 N ATOM 1149 CA TYR A 73 6.095 -6.129 3.638 1.00 0.00 C ATOM 1150 C TYR A 73 4.623 -5.930 3.891 1.00 0.00 C ATOM 1151 O TYR A 73 4.041 -6.640 4.710 1.00 0.00 O ATOM 1152 CB TYR A 73 6.308 -7.499 2.986 1.00 0.00 C ATOM 1153 CG TYR A 73 7.764 -7.692 2.632 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.654 -8.246 3.566 1.00 0.00 C ATOM 1155 CD2 TYR A 73 8.228 -7.328 1.361 1.00 0.00 C ATOM 1156 CE1 TYR A 73 9.994 -8.432 3.221 1.00 0.00 C ATOM 1157 CE2 TYR A 73 9.571 -7.512 1.023 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.453 -8.066 1.952 1.00 0.00 C ATOM 1159 OH TYR A 73 11.773 -8.261 1.617 1.00 0.00 O ATOM 0 H TYR A 73 6.692 -6.868 5.509 1.00 0.00 H new ATOM 0 HA TYR A 73 6.489 -5.367 2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.985 -8.287 3.666 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.695 -7.581 2.089 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.303 -8.527 4.548 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.545 -6.904 0.640 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.679 -8.861 3.938 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.926 -7.226 0.044 1.00 0.00 H new ATOM 0 HH TYR A 73 12.341 -8.052 2.388 1.00 0.00 H new ATOM 1169 N MET A 74 4.048 -4.926 3.262 1.00 0.00 N ATOM 1170 CA MET A 74 2.661 -4.568 3.489 1.00 0.00 C ATOM 1171 C MET A 74 1.934 -4.366 2.167 1.00 0.00 C ATOM 1172 O MET A 74 2.357 -3.558 1.338 1.00 0.00 O ATOM 1173 CB MET A 74 2.609 -3.275 4.323 1.00 0.00 C ATOM 1174 CG MET A 74 1.200 -2.678 4.319 1.00 0.00 C ATOM 1175 SD MET A 74 1.239 -1.090 5.181 1.00 0.00 S ATOM 1176 CE MET A 74 0.562 -1.659 6.746 1.00 0.00 C ATOM 0 H MET A 74 4.526 -4.336 2.581 1.00 0.00 H new ATOM 0 HA MET A 74 2.166 -5.376 4.027 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.916 -3.486 5.347 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.317 -2.550 3.921 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.850 -2.544 3.296 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.501 -3.356 4.809 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.787 -0.932 7.526 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.518 -1.771 6.656 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.006 -2.620 7.007 1.00 0.00 H new ATOM 1186 N ARG A 75 0.790 -5.009 2.014 1.00 0.00 N ATOM 1187 CA ARG A 75 -0.045 -4.777 0.849 1.00 0.00 C ATOM 1188 C ARG A 75 -1.515 -4.837 1.214 1.00 0.00 C ATOM 1189 O ARG A 75 -1.936 -5.708 1.971 1.00 0.00 O ATOM 1190 CB ARG A 75 0.279 -5.766 -0.277 1.00 0.00 C ATOM 1191 CG ARG A 75 -0.119 -7.197 0.116 1.00 0.00 C ATOM 1192 CD ARG A 75 -1.530 -7.509 -0.420 1.00 0.00 C ATOM 1193 NE ARG A 75 -1.556 -8.784 -1.134 1.00 0.00 N ATOM 1194 CZ ARG A 75 -0.964 -8.939 -2.326 1.00 0.00 C ATOM 1195 NH1 ARG A 75 -0.259 -7.960 -2.835 1.00 0.00 N ATOM 1196 NH2 ARG A 75 -1.088 -10.066 -2.976 1.00 0.00 N ATOM 0 H ARG A 75 0.420 -5.691 2.676 1.00 0.00 H new ATOM 0 HA ARG A 75 0.173 -3.774 0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.249 -5.474 -1.185 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.345 -5.730 -0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.600 -7.909 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.099 -7.306 1.200 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.238 -7.539 0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.853 -6.710 -1.087 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.038 -9.578 -0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.162 -7.082 -2.324 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.193 -8.075 -3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.636 -10.828 -2.576 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.637 -10.184 -3.883 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.287 -3.911 0.689 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.717 -3.866 0.951 1.00 0.00 C ATOM 1212 C PHE A 76 -4.502 -3.251 -0.191 1.00 0.00 C ATOM 1213 O PHE A 76 -3.943 -2.559 -1.038 1.00 0.00 O ATOM 1214 CB PHE A 76 -4.032 -3.197 2.300 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.318 -1.863 2.422 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -3.896 -0.686 1.929 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -2.073 -1.812 3.056 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -3.218 0.535 2.073 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -1.401 -0.595 3.197 1.00 0.00 C ATOM 1220 CZ PHE A 76 -1.969 0.577 2.710 1.00 0.00 C ATOM 0 H PHE A 76 -1.949 -3.172 0.073 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.050 -4.901 1.023 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.108 -3.048 2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.728 -3.853 3.116 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.859 -0.718 1.440 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.628 -2.718 3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.659 1.444 1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.438 -0.565 3.685 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.450 1.517 2.822 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.801 -3.516 -0.206 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.688 -3.003 -1.245 1.00 0.00 C ATOM 1232 C HIS A 77 -7.510 -1.854 -0.729 1.00 0.00 C ATOM 1233 O HIS A 77 -7.889 -1.838 0.444 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.626 -4.103 -1.765 1.00 0.00 C ATOM 1235 CG HIS A 77 -7.058 -4.722 -3.008 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -5.941 -5.539 -2.996 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -7.462 -4.659 -4.320 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -5.716 -5.933 -4.266 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -6.613 -5.423 -5.109 1.00 0.00 N ATOM 0 H HIS A 77 -6.269 -4.089 0.496 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.060 -2.656 -2.065 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.763 -4.867 -0.999 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.610 -3.683 -1.976 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.312 -4.100 -4.683 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.907 -6.583 -4.564 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -6.665 -5.564 -6.118 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.844 -0.931 -1.619 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.698 0.178 -1.262 1.00 0.00 C ATOM 1250 C VAL A 78 -9.818 0.322 -2.288 1.00 0.00 C ATOM 1251 O VAL A 78 -9.653 -0.048 -3.461 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.890 1.494 -1.154 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.532 1.225 -0.489 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -7.679 2.120 -2.537 1.00 0.00 C ATOM 0 H VAL A 78 -7.534 -0.933 -2.591 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.134 -0.025 -0.284 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.458 2.195 -0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.971 2.157 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.690 0.819 0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.970 0.508 -1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.109 3.043 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.131 1.424 -3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.647 2.339 -2.989 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.916 0.922 -1.874 1.00 0.00 N ATOM 1265 CA GLU A 79 -12.032 1.167 -2.768 1.00 0.00 C ATOM 1266 C GLU A 79 -12.163 2.633 -3.092 1.00 0.00 C ATOM 1267 O GLU A 79 -12.328 3.474 -2.202 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.336 0.598 -2.194 1.00 0.00 C ATOM 1269 CG GLU A 79 -13.300 -0.920 -2.350 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.487 -1.574 -1.678 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.591 -1.376 -2.135 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.277 -2.284 -0.723 1.00 0.00 O ATOM 0 H GLU A 79 -11.060 1.251 -0.919 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.830 0.645 -3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.440 0.870 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.196 1.014 -2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.292 -1.178 -3.409 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.377 -1.309 -1.920 1.00 0.00 H new ATOM 1279 N SER A 80 -12.073 2.928 -4.371 1.00 0.00 N ATOM 1280 CA SER A 80 -12.159 4.279 -4.868 1.00 0.00 C ATOM 1281 C SER A 80 -13.598 4.608 -5.201 1.00 0.00 C ATOM 1282 O SER A 80 -14.498 3.786 -4.996 1.00 0.00 O ATOM 1283 CB SER A 80 -11.293 4.429 -6.109 1.00 0.00 C ATOM 1284 OG SER A 80 -10.351 3.359 -6.174 1.00 0.00 O ATOM 0 H SER A 80 -11.937 2.228 -5.100 1.00 0.00 H new ATOM 0 HA SER A 80 -11.802 4.967 -4.102 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.918 4.430 -7.002 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.770 5.385 -6.085 1.00 0.00 H new ATOM 0 HG SER A 80 -10.823 2.517 -6.343 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.829 5.792 -5.732 1.00 0.00 N ATOM 1291 CA LYS A 81 -15.171 6.177 -6.088 1.00 0.00 C ATOM 1292 C LYS A 81 -15.687 5.300 -7.224 1.00 0.00 C ATOM 1293 O LYS A 81 -16.902 5.176 -7.415 1.00 0.00 O ATOM 1294 CB LYS A 81 -15.248 7.649 -6.507 1.00 0.00 C ATOM 1295 CG LYS A 81 -14.692 8.577 -5.408 1.00 0.00 C ATOM 1296 CD LYS A 81 -15.344 8.292 -4.054 1.00 0.00 C ATOM 1297 CE LYS A 81 -15.333 9.576 -3.205 1.00 0.00 C ATOM 1298 NZ LYS A 81 -14.864 9.299 -1.825 1.00 0.00 N ATOM 0 H LYS A 81 -13.113 6.493 -5.923 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.794 6.041 -5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.685 7.796 -7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.284 7.915 -6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.613 8.444 -5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.866 9.617 -5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.367 7.945 -4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.806 7.496 -3.538 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.685 10.318 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.335 10.003 -3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.769 10.194 -1.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.552 8.688 -1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.941 8.820 -1.861 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.765 4.875 -8.098 1.00 0.00 N ATOM 1313 CA LYS A 82 -15.140 4.152 -9.321 1.00 0.00 C ATOM 1314 C LYS A 82 -14.311 2.881 -9.524 1.00 0.00 C ATOM 1315 O LYS A 82 -14.530 2.145 -10.490 1.00 0.00 O ATOM 1316 CB LYS A 82 -14.985 5.073 -10.540 1.00 0.00 C ATOM 1317 CG LYS A 82 -15.783 6.367 -10.304 1.00 0.00 C ATOM 1318 CD LYS A 82 -17.284 6.050 -10.235 1.00 0.00 C ATOM 1319 CE LYS A 82 -18.019 7.190 -9.519 1.00 0.00 C ATOM 1320 NZ LYS A 82 -18.618 6.661 -8.267 1.00 0.00 N ATOM 0 H LYS A 82 -13.762 5.018 -7.983 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.181 3.849 -9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.933 5.306 -10.703 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.343 4.570 -11.438 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -15.459 6.840 -9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.589 7.076 -11.109 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.685 5.920 -11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.444 5.111 -9.704 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -17.328 8.002 -9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -18.795 7.603 -10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -18.802 7.447 -7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -19.512 6.178 -8.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.960 5.988 -7.825 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.307 2.672 -8.676 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.420 1.506 -8.809 1.00 0.00 C ATOM 1336 C LYS A 83 -12.011 0.951 -7.459 1.00 0.00 C ATOM 1337 O LYS A 83 -11.990 1.669 -6.460 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.154 1.844 -9.607 1.00 0.00 C ATOM 1339 CG LYS A 83 -11.525 2.254 -11.036 1.00 0.00 C ATOM 1340 CD LYS A 83 -12.099 1.054 -11.803 1.00 0.00 C ATOM 1341 CE LYS A 83 -12.788 1.561 -13.069 1.00 0.00 C ATOM 1342 NZ LYS A 83 -14.252 1.598 -12.843 1.00 0.00 N ATOM 0 H LYS A 83 -13.083 3.286 -7.893 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.994 0.751 -9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.612 2.653 -9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.488 0.981 -9.629 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.256 3.062 -11.011 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.644 2.637 -11.552 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.303 0.355 -12.061 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.809 0.512 -11.178 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.422 2.555 -13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.554 0.910 -13.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.696 2.224 -13.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.642 0.639 -12.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.447 1.957 -11.887 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.538 -0.272 -7.480 1.00 0.00 N ATOM 1357 CA ILE A 84 -10.943 -0.910 -6.317 1.00 0.00 C ATOM 1358 C ILE A 84 -9.435 -0.976 -6.586 1.00 0.00 C ATOM 1359 O ILE A 84 -9.028 -1.364 -7.683 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.512 -2.326 -6.201 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -13.043 -2.260 -6.132 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -10.982 -3.006 -4.928 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.614 -3.642 -6.418 1.00 0.00 C ATOM 0 H ILE A 84 -11.553 -0.863 -8.311 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.151 -0.367 -5.395 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.204 -2.902 -7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.361 -1.918 -5.147 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.421 -1.539 -6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.393 -4.013 -4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.894 -3.060 -4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.282 -2.427 -4.054 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.702 -3.603 -6.371 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -13.305 -3.965 -7.412 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -13.244 -4.349 -5.676 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.617 -0.483 -5.661 1.00 0.00 N ATOM 1376 CA ALA A 85 -7.176 -0.396 -5.913 1.00 0.00 C ATOM 1377 C ALA A 85 -6.357 -1.164 -4.890 1.00 0.00 C ATOM 1378 O ALA A 85 -6.815 -1.429 -3.784 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.705 1.063 -5.980 1.00 0.00 C ATOM 0 H ALA A 85 -8.915 -0.143 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.010 -0.863 -6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.632 1.091 -6.168 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.228 1.578 -6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.920 1.559 -5.033 1.00 0.00 H new ATOM 1385 N LEU A 86 -5.140 -1.508 -5.285 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.196 -2.248 -4.454 1.00 0.00 C ATOM 1387 C LEU A 86 -3.021 -1.369 -4.055 1.00 0.00 C ATOM 1388 O LEU A 86 -2.449 -0.677 -4.894 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.697 -3.485 -5.222 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.443 -4.088 -4.556 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -2.766 -4.581 -3.153 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -1.933 -5.263 -5.403 1.00 0.00 C ATOM 0 H LEU A 86 -4.772 -1.278 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.704 -2.566 -3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.487 -4.235 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.468 -3.209 -6.251 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.677 -3.316 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.869 -5.003 -2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.121 -3.747 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.540 -5.347 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.047 -5.691 -4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.710 -6.024 -5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.680 -4.908 -6.402 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.658 -1.411 -2.785 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.535 -0.639 -2.274 1.00 0.00 C ATOM 1406 C VAL A 87 -0.443 -1.589 -1.763 1.00 0.00 C ATOM 1407 O VAL A 87 -0.721 -2.504 -0.975 1.00 0.00 O ATOM 1408 CB VAL A 87 -2.014 0.282 -1.134 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.816 0.939 -0.435 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -2.949 1.368 -1.688 1.00 0.00 C ATOM 0 H VAL A 87 -3.130 -1.978 -2.080 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.123 -0.026 -3.075 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.557 -0.323 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.172 1.586 0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.170 0.167 -0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.254 1.532 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.281 2.012 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.416 1.964 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.815 0.899 -2.155 1.00 0.00 H new ATOM 1420 N HIS A 88 0.792 -1.344 -2.199 1.00 0.00 N ATOM 1421 CA HIS A 88 1.965 -2.129 -1.790 1.00 0.00 C ATOM 1422 C HIS A 88 2.923 -1.232 -1.022 1.00 0.00 C ATOM 1423 O HIS A 88 3.413 -0.247 -1.570 1.00 0.00 O ATOM 1424 CB HIS A 88 2.684 -2.662 -3.047 1.00 0.00 C ATOM 1425 CG HIS A 88 3.839 -3.591 -2.692 1.00 0.00 C ATOM 1426 ND1 HIS A 88 4.196 -4.656 -3.507 1.00 0.00 N ATOM 1427 CD2 HIS A 88 4.729 -3.620 -1.639 1.00 0.00 C ATOM 1428 CE1 HIS A 88 5.249 -5.271 -2.942 1.00 0.00 C ATOM 1429 NE2 HIS A 88 5.619 -4.683 -1.806 1.00 0.00 N ATOM 0 H HIS A 88 1.012 -0.591 -2.851 1.00 0.00 H new ATOM 0 HA HIS A 88 1.647 -2.961 -1.162 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.970 -3.195 -3.675 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.060 -1.823 -3.633 1.00 0.00 H new ATOM 0 HD2 HIS A 88 4.737 -2.926 -0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.737 -6.139 -3.360 1.00 0.00 H new ATOM 0 HE2 HIS A 88 6.387 -4.951 -1.191 1.00 0.00 H new ATOM 1438 N LEU A 89 3.201 -1.574 0.233 1.00 0.00 N ATOM 1439 CA LEU A 89 4.137 -0.810 1.054 1.00 0.00 C ATOM 1440 C LEU A 89 5.221 -1.717 1.617 1.00 0.00 C ATOM 1441 O LEU A 89 4.916 -2.710 2.284 1.00 0.00 O ATOM 1442 CB LEU A 89 3.402 -0.118 2.222 1.00 0.00 C ATOM 1443 CG LEU A 89 4.419 0.648 3.106 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.946 1.883 2.385 1.00 0.00 C ATOM 1445 CD2 LEU A 89 3.787 1.046 4.438 1.00 0.00 C ATOM 0 H LEU A 89 2.790 -2.379 0.706 1.00 0.00 H new ATOM 0 HA LEU A 89 4.593 -0.053 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.653 0.572 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.873 -0.860 2.821 1.00 0.00 H new ATOM 0 HG LEU A 89 5.257 -0.020 3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.658 2.403 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.442 1.582 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.116 2.549 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.519 1.582 5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.926 1.689 4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.464 0.151 4.969 1.00 0.00 H new ATOM 1457 N GLU A 90 6.470 -1.292 1.490 1.00 0.00 N ATOM 1458 CA GLU A 90 7.570 -1.961 2.162 1.00 0.00 C ATOM 1459 C GLU A 90 8.355 -1.000 3.013 1.00 0.00 C ATOM 1460 O GLU A 90 8.742 0.081 2.558 1.00 0.00 O ATOM 1461 CB GLU A 90 8.488 -2.687 1.189 1.00 0.00 C ATOM 1462 CG GLU A 90 7.770 -3.932 0.669 1.00 0.00 C ATOM 1463 CD GLU A 90 8.600 -4.644 -0.365 1.00 0.00 C ATOM 1464 OE1 GLU A 90 9.808 -4.489 -0.342 1.00 0.00 O ATOM 1465 OE2 GLU A 90 8.023 -5.369 -1.144 1.00 0.00 O ATOM 0 H GLU A 90 6.745 -0.487 0.927 1.00 0.00 H new ATOM 0 HA GLU A 90 7.125 -2.715 2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.754 -2.031 0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.418 -2.967 1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.559 -4.607 1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.810 -3.648 0.237 1.00 0.00 H new ATOM 1472 N ALA A 91 8.636 -1.415 4.223 1.00 0.00 N ATOM 1473 CA ALA A 91 9.432 -0.625 5.141 1.00 0.00 C ATOM 1474 C ALA A 91 10.383 -1.526 5.871 1.00 0.00 C ATOM 1475 O ALA A 91 10.112 -2.707 5.996 1.00 0.00 O ATOM 1476 CB ALA A 91 8.537 0.107 6.151 1.00 0.00 C ATOM 0 H ALA A 91 8.322 -2.308 4.603 1.00 0.00 H new ATOM 0 HA ALA A 91 9.987 0.120 4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.157 0.693 6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.855 0.770 5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.963 -0.622 6.723 1.00 0.00 H new ATOM 1482 N LYS A 92 11.460 -0.989 6.405 1.00 0.00 N ATOM 1483 CA LYS A 92 12.343 -1.821 7.203 1.00 0.00 C ATOM 1484 C LYS A 92 12.738 -1.163 8.497 1.00 0.00 C ATOM 1485 O LYS A 92 12.961 0.053 8.554 1.00 0.00 O ATOM 1486 CB LYS A 92 13.571 -2.319 6.429 1.00 0.00 C ATOM 1487 CG LYS A 92 14.556 -1.182 6.147 1.00 0.00 C ATOM 1488 CD LYS A 92 15.768 -1.767 5.418 1.00 0.00 C ATOM 1489 CE LYS A 92 16.850 -0.707 5.251 1.00 0.00 C ATOM 1490 NZ LYS A 92 18.054 -1.342 4.657 1.00 0.00 N ATOM 0 H LYS A 92 11.741 -0.013 6.308 1.00 0.00 H new ATOM 0 HA LYS A 92 11.757 -2.705 7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.070 -3.101 7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.252 -2.767 5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.082 -0.411 5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.865 -0.708 7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.163 -2.614 5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.466 -2.144 4.441 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.493 0.099 4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.095 -0.262 6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.904 -1.010 5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.981 -2.376 4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 18.121 -1.086 3.651 1.00 0.00 H new ATOM 1504 N GLU A 93 12.828 -1.973 9.536 1.00 0.00 N ATOM 1505 CA GLU A 93 13.204 -1.501 10.847 1.00 0.00 C ATOM 1506 C GLU A 93 14.652 -1.051 10.840 1.00 0.00 C ATOM 1507 O GLU A 93 15.551 -1.836 10.527 1.00 0.00 O ATOM 1508 CB GLU A 93 13.028 -2.633 11.874 1.00 0.00 C ATOM 1509 CG GLU A 93 11.528 -2.960 12.035 1.00 0.00 C ATOM 1510 CD GLU A 93 10.801 -1.815 12.737 1.00 0.00 C ATOM 1511 OE1 GLU A 93 11.450 -1.046 13.422 1.00 0.00 O ATOM 1512 OE2 GLU A 93 9.604 -1.734 12.578 1.00 0.00 O ATOM 0 H GLU A 93 12.642 -2.975 9.490 1.00 0.00 H new ATOM 0 HA GLU A 93 12.566 -0.659 11.117 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.571 -3.520 11.548 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.450 -2.335 12.834 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.081 -3.136 11.056 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.410 -3.879 12.609 1.00 0.00 H new ATOM 1519 N SER A 94 14.881 0.177 11.264 1.00 0.00 N ATOM 1520 CA SER A 94 16.230 0.669 11.412 1.00 0.00 C ATOM 1521 C SER A 94 16.875 -0.020 12.602 1.00 0.00 C ATOM 1522 O SER A 94 17.603 -1.009 12.441 1.00 0.00 O ATOM 1523 CB SER A 94 16.235 2.192 11.583 1.00 0.00 C ATOM 1524 OG SER A 94 15.764 2.798 10.376 1.00 0.00 O ATOM 0 H SER A 94 14.152 0.847 11.510 1.00 0.00 H new ATOM 0 HA SER A 94 16.804 0.443 10.514 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.600 2.479 12.421 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.242 2.542 11.812 1.00 0.00 H new ATOM 0 HG SER A 94 15.763 3.773 10.478 1.00 0.00 H new ATOM 1604 N GLN A 99 8.981 3.977 13.465 1.00 0.00 N ATOM 1605 CA GLN A 99 8.485 3.589 12.163 1.00 0.00 C ATOM 1606 C GLN A 99 9.619 3.177 11.243 1.00 0.00 C ATOM 1607 O GLN A 99 10.561 3.939 11.024 1.00 0.00 O ATOM 1608 CB GLN A 99 7.660 4.714 11.539 1.00 0.00 C ATOM 1609 CG GLN A 99 6.519 5.094 12.485 1.00 0.00 C ATOM 1610 CD GLN A 99 5.447 4.013 12.471 1.00 0.00 C ATOM 1611 OE1 GLN A 99 4.376 4.211 11.898 1.00 0.00 O ATOM 1612 NE2 GLN A 99 5.663 2.875 13.069 1.00 0.00 N ATOM 0 HA GLN A 99 7.835 2.724 12.298 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.293 5.581 11.348 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.258 4.395 10.577 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.903 5.224 13.497 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.088 6.049 12.183 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.550 2.709 13.544 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.945 2.151 13.061 1.00 0.00 H new ATOM 1621 N PRO A 100 9.541 1.989 10.702 1.00 0.00 N ATOM 1622 CA PRO A 100 10.582 1.470 9.759 1.00 0.00 C ATOM 1623 C PRO A 100 10.638 2.317 8.500 1.00 0.00 C ATOM 1624 O PRO A 100 9.611 2.823 8.041 1.00 0.00 O ATOM 1625 CB PRO A 100 10.073 0.061 9.423 1.00 0.00 C ATOM 1626 CG PRO A 100 8.600 0.147 9.623 1.00 0.00 C ATOM 1627 CD PRO A 100 8.417 1.040 10.832 1.00 0.00 C ATOM 0 HA PRO A 100 11.586 1.483 10.183 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.320 -0.218 8.399 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.520 -0.690 10.074 1.00 0.00 H new ATOM 0 HG2 PRO A 100 8.107 0.566 8.746 1.00 0.00 H new ATOM 0 HG3 PRO A 100 8.167 -0.839 9.792 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.453 1.549 10.819 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.467 0.477 11.764 1.00 0.00 H new ATOM 1635 N ASP A 101 11.817 2.454 7.926 1.00 0.00 N ATOM 1636 CA ASP A 101 11.965 3.246 6.709 1.00 0.00 C ATOM 1637 C ASP A 101 11.201 2.580 5.598 1.00 0.00 C ATOM 1638 O ASP A 101 11.356 1.379 5.390 1.00 0.00 O ATOM 1639 CB ASP A 101 13.444 3.335 6.301 1.00 0.00 C ATOM 1640 CG ASP A 101 14.173 4.408 7.083 1.00 0.00 C ATOM 1641 OD1 ASP A 101 13.677 4.826 8.105 1.00 0.00 O ATOM 1642 OD2 ASP A 101 15.229 4.795 6.646 1.00 0.00 O ATOM 0 H ASP A 101 12.680 2.035 8.273 1.00 0.00 H new ATOM 0 HA ASP A 101 11.583 4.250 6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.927 2.372 6.466 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.516 3.549 5.235 1.00 0.00 H new ATOM 1647 N PHE A 102 10.463 3.364 4.823 1.00 0.00 N ATOM 1648 CA PHE A 102 9.721 2.818 3.695 1.00 0.00 C ATOM 1649 C PHE A 102 10.673 2.536 2.549 1.00 0.00 C ATOM 1650 O PHE A 102 11.123 3.457 1.865 1.00 0.00 O ATOM 1651 CB PHE A 102 8.645 3.808 3.224 1.00 0.00 C ATOM 1652 CG PHE A 102 7.662 4.082 4.337 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.843 3.057 4.818 1.00 0.00 C ATOM 1654 CD2 PHE A 102 7.557 5.372 4.876 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.920 3.317 5.836 1.00 0.00 C ATOM 1656 CE2 PHE A 102 6.635 5.635 5.898 1.00 0.00 C ATOM 1657 CZ PHE A 102 5.817 4.608 6.379 1.00 0.00 C ATOM 0 H PHE A 102 10.363 4.371 4.953 1.00 0.00 H new ATOM 0 HA PHE A 102 9.237 1.895 4.014 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.113 4.739 2.905 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.121 3.402 2.359 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.923 2.063 4.403 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.188 6.165 4.503 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.286 2.524 6.205 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.556 6.629 6.313 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.106 4.807 7.168 1.00 0.00 H new ATOM 1667 N ILE A 103 10.989 1.266 2.353 1.00 0.00 N ATOM 1668 CA ILE A 103 11.902 0.871 1.299 1.00 0.00 C ATOM 1669 C ILE A 103 11.266 1.150 -0.054 1.00 0.00 C ATOM 1670 O ILE A 103 11.917 1.635 -0.958 1.00 0.00 O ATOM 1671 CB ILE A 103 12.218 -0.630 1.411 1.00 0.00 C ATOM 1672 CG1 ILE A 103 12.988 -0.900 2.703 1.00 0.00 C ATOM 1673 CG2 ILE A 103 13.107 -1.057 0.224 1.00 0.00 C ATOM 1674 CD1 ILE A 103 13.061 -2.411 2.928 1.00 0.00 C ATOM 0 H ILE A 103 10.626 0.493 2.911 1.00 0.00 H new ATOM 0 HA ILE A 103 12.826 1.441 1.397 1.00 0.00 H new ATOM 0 HB ILE A 103 11.282 -1.189 1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 103 13.991 -0.479 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.493 -0.417 3.545 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.332 -2.121 0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.582 -0.865 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 103 14.036 -0.487 0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 103 13.609 -2.616 3.848 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.052 -2.816 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.574 -2.880 2.088 1.00 0.00 H new ATOM 1686 N ASN A 104 9.998 0.801 -0.180 1.00 0.00 N ATOM 1687 CA ASN A 104 9.265 0.970 -1.429 1.00 0.00 C ATOM 1688 C ASN A 104 7.780 1.004 -1.134 1.00 0.00 C ATOM 1689 O ASN A 104 7.327 0.428 -0.133 1.00 0.00 O ATOM 1690 CB ASN A 104 9.561 -0.193 -2.390 1.00 0.00 C ATOM 1691 CG ASN A 104 9.058 0.128 -3.806 1.00 0.00 C ATOM 1692 OD1 ASN A 104 8.231 1.015 -3.997 1.00 0.00 O ATOM 1693 ND2 ASN A 104 9.518 -0.531 -4.810 1.00 0.00 N ATOM 0 H ASN A 104 9.446 0.394 0.575 1.00 0.00 H new ATOM 0 HA ASN A 104 9.578 1.903 -1.897 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.633 -0.386 -2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 104 9.082 -1.102 -2.026 1.00 0.00 H new ATOM 0 HD21 ASN A 104 9.195 -0.315 -5.753 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.205 -1.270 -4.663 1.00 0.00 H new ATOM 1700 N MET A 105 7.013 1.578 -2.032 1.00 0.00 N ATOM 1701 CA MET A 105 5.574 1.572 -1.905 1.00 0.00 C ATOM 1702 C MET A 105 4.892 2.037 -3.180 1.00 0.00 C ATOM 1703 O MET A 105 5.242 3.092 -3.745 1.00 0.00 O ATOM 1704 CB MET A 105 5.109 2.337 -0.648 1.00 0.00 C ATOM 1705 CG MET A 105 4.430 3.661 -0.989 1.00 0.00 C ATOM 1706 SD MET A 105 2.732 3.360 -1.543 1.00 0.00 S ATOM 1707 CE MET A 105 2.028 2.961 0.081 1.00 0.00 C ATOM 0 H MET A 105 7.363 2.057 -2.862 1.00 0.00 H new ATOM 0 HA MET A 105 5.259 0.539 -1.760 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.418 1.713 -0.081 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.967 2.528 -0.004 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.426 4.313 -0.116 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.990 4.176 -1.769 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.969 3.220 0.092 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.143 1.895 0.275 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.549 3.528 0.853 1.00 0.00 H new ATOM 1717 N TYR A 106 3.915 1.262 -3.632 1.00 0.00 N ATOM 1718 CA TYR A 106 3.190 1.594 -4.843 1.00 0.00 C ATOM 1719 C TYR A 106 1.735 1.196 -4.762 1.00 0.00 C ATOM 1720 O TYR A 106 1.349 0.347 -3.952 1.00 0.00 O ATOM 1721 CB TYR A 106 3.845 0.973 -6.088 1.00 0.00 C ATOM 1722 CG TYR A 106 3.865 -0.541 -6.014 1.00 0.00 C ATOM 1723 CD1 TYR A 106 2.795 -1.280 -6.532 1.00 0.00 C ATOM 1724 CD2 TYR A 106 4.966 -1.205 -5.461 1.00 0.00 C ATOM 1725 CE1 TYR A 106 2.820 -2.677 -6.491 1.00 0.00 C ATOM 1726 CE2 TYR A 106 4.987 -2.603 -5.417 1.00 0.00 C ATOM 1727 CZ TYR A 106 3.914 -3.337 -5.934 1.00 0.00 C ATOM 1728 OH TYR A 106 3.935 -4.717 -5.888 1.00 0.00 O ATOM 0 H TYR A 106 3.610 0.402 -3.177 1.00 0.00 H new ATOM 0 HA TYR A 106 3.235 2.679 -4.939 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.302 1.287 -6.980 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.864 1.346 -6.188 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.947 -0.769 -6.965 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.798 -0.639 -5.069 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.992 -3.244 -6.891 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.833 -3.116 -4.983 1.00 0.00 H new ATOM 0 HH TYR A 106 4.041 -5.012 -4.959 1.00 0.00 H new ATOM 1738 N VAL A 107 0.935 1.798 -5.619 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.478 1.521 -5.676 1.00 0.00 C ATOM 1740 C VAL A 107 -0.815 0.945 -7.043 1.00 0.00 C ATOM 1741 O VAL A 107 -0.456 1.523 -8.081 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.255 2.824 -5.433 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.748 2.622 -5.703 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -1.047 3.281 -3.990 1.00 0.00 C ATOM 0 H VAL A 107 1.251 2.494 -6.295 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.755 0.797 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.881 3.587 -6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.280 3.557 -5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.892 2.314 -6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.137 1.851 -5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.598 4.205 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.409 2.511 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.015 3.453 -3.812 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.508 -0.182 -7.047 1.00 0.00 N ATOM 1755 CA ASP A 108 -1.924 -0.815 -8.286 1.00 0.00 C ATOM 1756 C ASP A 108 -3.396 -0.557 -8.530 1.00 0.00 C ATOM 1757 O ASP A 108 -4.264 -1.115 -7.831 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.663 -2.327 -8.251 1.00 0.00 C ATOM 1759 CG ASP A 108 -1.644 -2.895 -9.665 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -2.484 -2.517 -10.459 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -0.793 -3.707 -9.936 1.00 0.00 O ATOM 0 H ASP A 108 -1.795 -0.678 -6.203 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.338 -0.385 -9.098 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.711 -2.527 -7.759 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.436 -2.823 -7.663 1.00 0.00 H new ATOM 1766 N VAL A 109 -3.686 0.250 -9.517 1.00 0.00 N ATOM 1767 CA VAL A 109 -5.053 0.530 -9.891 1.00 0.00 C ATOM 1768 C VAL A 109 -5.395 -0.269 -11.145 1.00 0.00 C ATOM 1769 O VAL A 109 -4.653 -0.224 -12.139 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.240 2.037 -10.133 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -6.732 2.377 -10.192 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.582 2.826 -8.988 1.00 0.00 C ATOM 0 H VAL A 109 -2.987 0.731 -10.083 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.725 0.236 -9.085 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.773 2.306 -11.081 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.855 3.446 -10.364 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.200 1.823 -11.006 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.205 2.104 -9.249 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.714 3.894 -9.159 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.047 2.550 -8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.518 2.594 -8.951 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.425 -1.090 -11.086 1.00 0.00 N ATOM 1783 CA PRO A 110 -6.770 -1.977 -12.234 1.00 0.00 C ATOM 1784 C PRO A 110 -7.154 -1.159 -13.455 1.00 0.00 C ATOM 1785 O PRO A 110 -7.790 -0.104 -13.338 1.00 0.00 O ATOM 1786 CB PRO A 110 -7.975 -2.771 -11.720 1.00 0.00 C ATOM 1787 CG PRO A 110 -8.638 -1.851 -10.753 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.507 -1.072 -10.079 1.00 0.00 C ATOM 0 HA PRO A 110 -5.939 -2.610 -12.544 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -8.647 -3.045 -12.533 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -7.664 -3.698 -11.238 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.327 -1.178 -11.263 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -9.221 -2.408 -10.019 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.811 -0.054 -9.835 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.195 -1.543 -9.147 1.00 0.00 H new ATOM 1796 N GLY A 111 -6.735 -1.621 -14.615 1.00 0.00 N ATOM 1797 CA GLY A 111 -6.993 -0.912 -15.853 1.00 0.00 C ATOM 1798 C GLY A 111 -6.189 0.375 -15.907 1.00 0.00 C ATOM 1799 O GLY A 111 -6.217 1.086 -16.909 1.00 0.00 O ATOM 0 H GLY A 111 -6.211 -2.489 -14.727 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.735 -1.545 -16.702 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.056 -0.687 -15.935 1.00 0.00 H new ATOM 1803 N GLU A 112 -5.493 0.681 -14.816 1.00 0.00 N ATOM 1804 CA GLU A 112 -4.715 1.905 -14.710 1.00 0.00 C ATOM 1805 C GLU A 112 -3.243 1.637 -14.430 1.00 0.00 C ATOM 1806 O GLU A 112 -2.826 0.490 -14.219 1.00 0.00 O ATOM 1807 CB GLU A 112 -5.316 2.849 -13.669 1.00 0.00 C ATOM 1808 CG GLU A 112 -6.647 3.393 -14.189 1.00 0.00 C ATOM 1809 CD GLU A 112 -6.411 4.179 -15.461 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -5.633 5.108 -15.421 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -7.005 3.845 -16.464 1.00 0.00 O ATOM 0 H GLU A 112 -5.454 0.089 -13.986 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.763 2.396 -15.682 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.469 2.321 -12.728 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.629 3.670 -13.466 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.338 2.572 -14.380 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -7.110 4.031 -13.436 1.00 0.00 H new ATOM 1818 N LYS A 113 -2.457 2.699 -14.476 1.00 0.00 N ATOM 1819 CA LYS A 113 -1.024 2.612 -14.293 1.00 0.00 C ATOM 1820 C LYS A 113 -0.690 2.381 -12.842 1.00 0.00 C ATOM 1821 O LYS A 113 -1.258 3.023 -11.951 1.00 0.00 O ATOM 1822 CB LYS A 113 -0.351 3.909 -14.756 1.00 0.00 C ATOM 1823 CG LYS A 113 -0.606 4.124 -16.251 1.00 0.00 C ATOM 1824 CD LYS A 113 -1.762 5.110 -16.444 1.00 0.00 C ATOM 1825 CE LYS A 113 -2.945 4.373 -17.071 1.00 0.00 C ATOM 1826 NZ LYS A 113 -4.071 5.313 -17.266 1.00 0.00 N ATOM 0 H LYS A 113 -2.798 3.646 -14.642 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.658 1.775 -14.887 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.739 4.754 -14.187 1.00 0.00 H new ATOM 0 HB3 LYS A 113 0.721 3.861 -14.564 1.00 0.00 H new ATOM 0 HG2 LYS A 113 0.294 4.507 -16.731 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -0.843 3.174 -16.729 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -2.052 5.542 -15.486 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.450 5.935 -17.084 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -2.651 3.940 -18.027 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -3.254 3.548 -16.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.700 4.952 -18.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.604 5.405 -16.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -3.702 6.244 -17.546 1.00 0.00 H new ATOM 1840 N ARG A 114 0.308 1.563 -12.618 1.00 0.00 N ATOM 1841 CA ARG A 114 0.807 1.348 -11.272 1.00 0.00 C ATOM 1842 C ARG A 114 1.437 2.628 -10.780 1.00 0.00 C ATOM 1843 O ARG A 114 2.218 3.256 -11.502 1.00 0.00 O ATOM 1844 CB ARG A 114 1.845 0.221 -11.248 1.00 0.00 C ATOM 1845 CG ARG A 114 2.856 0.422 -12.384 1.00 0.00 C ATOM 1846 CD ARG A 114 2.550 -0.549 -13.526 1.00 0.00 C ATOM 1847 NE ARG A 114 2.629 0.148 -14.801 1.00 0.00 N ATOM 1848 CZ ARG A 114 2.512 -0.487 -15.961 1.00 0.00 C ATOM 1849 NH1 ARG A 114 2.349 -1.781 -15.981 1.00 0.00 N ATOM 1850 NH2 ARG A 114 2.570 0.184 -17.073 1.00 0.00 N ATOM 0 H ARG A 114 0.793 1.034 -13.343 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.022 1.060 -10.626 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.361 0.209 -10.288 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.350 -0.744 -11.356 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.811 1.449 -12.746 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.869 0.258 -12.016 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.258 -1.378 -13.510 1.00 0.00 H new ATOM 0 HD3 ARG A 114 1.556 -0.976 -13.396 1.00 0.00 H new ATOM 0 HE ARG A 114 2.779 1.157 -14.804 1.00 0.00 H new ATOM 0 HH11 ARG A 114 2.312 -2.304 -15.106 1.00 0.00 H new ATOM 0 HH12 ARG A 114 2.259 -2.270 -16.872 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.705 1.195 -17.052 1.00 0.00 H new ATOM 0 HH22 ARG A 114 2.481 -0.300 -17.966 1.00 0.00 H new ATOM 1864 N TYR A 115 1.083 3.038 -9.586 1.00 0.00 N ATOM 1865 CA TYR A 115 1.621 4.266 -9.051 1.00 0.00 C ATOM 1866 C TYR A 115 2.614 3.963 -7.953 1.00 0.00 C ATOM 1867 O TYR A 115 2.251 3.383 -6.933 1.00 0.00 O ATOM 1868 CB TYR A 115 0.489 5.138 -8.503 1.00 0.00 C ATOM 1869 CG TYR A 115 1.044 6.468 -8.065 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.190 7.498 -8.998 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.411 6.673 -6.730 1.00 0.00 C ATOM 1872 CE1 TYR A 115 1.702 8.734 -8.598 1.00 0.00 C ATOM 1873 CE2 TYR A 115 1.924 7.912 -6.333 1.00 0.00 C ATOM 1874 CZ TYR A 115 2.065 8.942 -7.268 1.00 0.00 C ATOM 1875 OH TYR A 115 2.574 10.165 -6.878 1.00 0.00 O ATOM 0 H TYR A 115 0.433 2.547 -8.972 1.00 0.00 H new ATOM 0 HA TYR A 115 2.130 4.805 -9.850 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.274 5.285 -9.268 1.00 0.00 H new ATOM 0 HB3 TYR A 115 0.006 4.639 -7.663 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.907 7.338 -10.028 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.298 5.877 -6.009 1.00 0.00 H new ATOM 0 HE1 TYR A 115 1.817 9.529 -9.319 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.211 8.073 -5.304 1.00 0.00 H new ATOM 0 HH TYR A 115 2.197 10.871 -7.443 1.00 0.00 H new ATOM 1885 N TYR A 116 3.849 4.415 -8.123 1.00 0.00 N ATOM 1886 CA TYR A 116 4.856 4.231 -7.092 1.00 0.00 C ATOM 1887 C TYR A 116 4.989 5.472 -6.258 1.00 0.00 C ATOM 1888 O TYR A 116 5.653 6.434 -6.643 1.00 0.00 O ATOM 1889 CB TYR A 116 6.213 3.827 -7.692 1.00 0.00 C ATOM 1890 CG TYR A 116 6.197 2.346 -8.001 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.414 1.857 -9.051 1.00 0.00 C ATOM 1892 CD2 TYR A 116 6.957 1.463 -7.227 1.00 0.00 C ATOM 1893 CE1 TYR A 116 5.385 0.486 -9.319 1.00 0.00 C ATOM 1894 CE2 TYR A 116 6.930 0.093 -7.500 1.00 0.00 C ATOM 1895 CZ TYR A 116 6.145 -0.395 -8.547 1.00 0.00 C ATOM 1896 OH TYR A 116 6.106 -1.747 -8.808 1.00 0.00 O ATOM 0 H TYR A 116 4.173 4.906 -8.956 1.00 0.00 H new ATOM 0 HA TYR A 116 4.527 3.415 -6.449 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.408 4.398 -8.600 1.00 0.00 H new ATOM 0 HB3 TYR A 116 7.017 4.056 -6.992 1.00 0.00 H new ATOM 0 HD1 TYR A 116 4.832 2.538 -9.654 1.00 0.00 H new ATOM 0 HD2 TYR A 116 7.565 1.840 -6.418 1.00 0.00 H new ATOM 0 HE1 TYR A 116 4.774 0.107 -10.125 1.00 0.00 H new ATOM 0 HE2 TYR A 116 7.516 -0.589 -6.901 1.00 0.00 H new ATOM 0 HH TYR A 116 6.693 -2.218 -8.180 1.00 0.00 H new ATOM 1906 N LEU A 117 4.353 5.439 -5.111 1.00 0.00 N ATOM 1907 CA LEU A 117 4.393 6.524 -4.157 1.00 0.00 C ATOM 1908 C LEU A 117 5.806 6.711 -3.623 1.00 0.00 C ATOM 1909 O LEU A 117 6.266 7.837 -3.438 1.00 0.00 O ATOM 1910 CB LEU A 117 3.409 6.244 -3.021 1.00 0.00 C ATOM 1911 CG LEU A 117 3.445 7.352 -1.972 1.00 0.00 C ATOM 1912 CD1 LEU A 117 3.071 8.699 -2.600 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.451 7.013 -0.864 1.00 0.00 C ATOM 0 H LEU A 117 3.785 4.647 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 117 4.100 7.450 -4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.400 6.154 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.651 5.290 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 117 4.453 7.428 -1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 117 3.102 9.477 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.779 8.940 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.066 8.639 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.467 7.798 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.449 6.936 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.726 6.063 -0.407 1.00 0.00 H new ATOM 1925 N ILE A 118 6.472 5.603 -3.346 1.00 0.00 N ATOM 1926 CA ILE A 118 7.826 5.634 -2.802 1.00 0.00 C ATOM 1927 C ILE A 118 8.792 4.889 -3.729 1.00 0.00 C ATOM 1928 O ILE A 118 8.539 3.748 -4.111 1.00 0.00 O ATOM 1929 CB ILE A 118 7.826 5.004 -1.394 1.00 0.00 C ATOM 1930 CG1 ILE A 118 6.932 5.832 -0.460 1.00 0.00 C ATOM 1931 CG2 ILE A 118 9.246 4.950 -0.821 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.797 5.118 0.882 1.00 0.00 C ATOM 0 H ILE A 118 6.098 4.665 -3.488 1.00 0.00 H new ATOM 0 HA ILE A 118 8.162 6.668 -2.729 1.00 0.00 H new ATOM 0 HB ILE A 118 7.442 3.987 -1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.360 6.824 -0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.949 5.972 -0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.221 4.502 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.879 4.349 -1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.650 5.960 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.162 5.706 1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.350 4.136 0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.783 5.001 1.333 1.00 0.00 H new ATOM 1944 N LYS A 119 9.897 5.535 -4.091 1.00 0.00 N ATOM 1945 CA LYS A 119 10.894 4.906 -4.955 1.00 0.00 C ATOM 1946 C LYS A 119 11.992 4.274 -4.111 1.00 0.00 C ATOM 1947 O LYS A 119 12.577 4.937 -3.251 1.00 0.00 O ATOM 1948 CB LYS A 119 11.506 5.929 -5.935 1.00 0.00 C ATOM 1949 CG LYS A 119 10.409 6.809 -6.571 1.00 0.00 C ATOM 1950 CD LYS A 119 9.277 5.932 -7.131 1.00 0.00 C ATOM 1951 CE LYS A 119 8.149 6.824 -7.678 1.00 0.00 C ATOM 1952 NZ LYS A 119 8.667 7.712 -8.738 1.00 0.00 N ATOM 0 H LYS A 119 10.125 6.487 -3.803 1.00 0.00 H new ATOM 0 HA LYS A 119 10.396 4.131 -5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.223 6.559 -5.408 1.00 0.00 H new ATOM 0 HB3 LYS A 119 12.056 5.405 -6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.010 7.498 -5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.837 7.415 -7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.661 5.289 -7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.890 5.279 -6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.345 6.204 -8.074 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.723 7.420 -6.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.873 8.093 -9.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 9.196 8.496 -8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 9.298 7.173 -9.365 1.00 0.00 H new ATOM 1966 N PRO A 120 12.254 3.007 -4.306 1.00 0.00 N ATOM 1967 CA PRO A 120 13.259 2.273 -3.488 1.00 0.00 C ATOM 1968 C PRO A 120 14.698 2.657 -3.772 1.00 0.00 C ATOM 1969 O PRO A 120 14.989 3.449 -4.670 1.00 0.00 O ATOM 1970 CB PRO A 120 13.000 0.807 -3.774 1.00 0.00 C ATOM 1971 CG PRO A 120 12.374 0.794 -5.127 1.00 0.00 C ATOM 1972 CD PRO A 120 11.561 2.088 -5.234 1.00 0.00 C ATOM 0 HA PRO A 120 13.141 2.525 -2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.925 0.231 -3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 120 12.339 0.368 -3.027 1.00 0.00 H new ATOM 0 HG2 PRO A 120 13.134 0.746 -5.907 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.734 -0.079 -5.251 1.00 0.00 H new ATOM 0 HD2 PRO A 120 11.555 2.475 -6.253 1.00 0.00 H new ATOM 0 HD3 PRO A 120 10.521 1.934 -4.945 1.00 0.00 H new ATOM 1980 N LYS A 121 15.566 2.158 -2.919 1.00 0.00 N ATOM 1981 CA LYS A 121 16.975 2.490 -2.915 1.00 0.00 C ATOM 1982 C LYS A 121 17.604 2.118 -4.228 1.00 0.00 C ATOM 1983 O LYS A 121 18.397 2.881 -4.787 1.00 0.00 O ATOM 1984 CB LYS A 121 17.629 1.624 -1.849 1.00 0.00 C ATOM 1985 CG LYS A 121 17.091 2.010 -0.487 1.00 0.00 C ATOM 1986 CD LYS A 121 17.677 1.070 0.577 1.00 0.00 C ATOM 1987 CE LYS A 121 17.154 1.446 1.969 1.00 0.00 C ATOM 1988 NZ LYS A 121 17.917 2.607 2.504 1.00 0.00 N ATOM 0 H LYS A 121 15.305 1.493 -2.191 1.00 0.00 H new ATOM 0 HA LYS A 121 17.102 3.558 -2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.428 0.571 -2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 121 18.711 1.752 -1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 121 17.353 3.043 -0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.003 1.949 -0.483 1.00 0.00 H new ATOM 0 HD2 LYS A 121 17.409 0.039 0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 121 18.765 1.128 0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 121 16.094 1.692 1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 121 17.249 0.596 2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 17.556 2.855 3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 18.924 2.358 2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 17.804 3.420 1.866 1.00 0.00 H new