USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 974 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 71 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 17 ASN : amide:sc= 0.321 K(o=1.4,f=-7.9!) USER MOD Set 2.2: A 19 SER OG : rot -63:sc= 1.06 USER MOD Single : A 1 MET CE :methyl -143:sc= -0.24 (180deg=-1.4!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 9 SER OG : rot -112:sc= -0.181 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -3 GLY N :NH3+ -119:sc= 0.149 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.125 K(o=-0.12,f=-2.7!) USER MOD Single : A 16 ASN : amide:sc= -1.19 K(o=-1.2,f=-4.2!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -65:sc= 0.914 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00327 USER MOD Single : A 32 ASN :FLIP amide:sc= -3.86! C(o=-4.4!,f=-3.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.645 K(o=-0.64,f=-5.5!) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 43 SER OG : rot 70:sc= 0.0332 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 44:sc= 0.941 USER MOD Single : A 49 THR OG1 : rot -80:sc= 0.0757 USER MOD Single : A 50 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.059) USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= 1.35 (180deg=1.15) USER MOD Single : A 60 LYS NZ :NH3+ -108:sc= 0 (180deg=-0.0378) USER MOD Single : A 61 ASN : amide:sc= -0.0764 X(o=-0.076,f=0) USER MOD Single : A 64 MET CE :methyl 168:sc=-0.00825 (180deg=-0.299) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.638 K(o=-0.64,f=-2) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00919 USER MOD Single : A 70 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.085) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.32) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -151:sc= -0.0216 (180deg=-0.116) USER MOD Single : A 80 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.137) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.889 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.0653 X(o=-0.065,f=-0.14) USER MOD Single : A 90 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.157) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -145:sc= -0.33 (180deg=-1.73!) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.119) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0237) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 126.484 9.514 4.865 1.00 0.00 N ATOM 2 CA GLY A -3 125.746 10.455 3.976 1.00 0.00 C ATOM 3 C GLY A -3 124.273 10.048 3.912 1.00 0.00 C ATOM 4 O GLY A -3 123.879 9.029 4.450 1.00 0.00 O ATOM 0 H1 GLY A -3 126.890 10.039 5.666 1.00 0.00 H new ATOM 0 H2 GLY A -3 125.830 8.789 5.222 1.00 0.00 H new ATOM 0 H3 GLY A -3 127.248 9.057 4.328 1.00 0.00 H new ATOM 0 HA2 GLY A -3 125.837 11.474 4.352 1.00 0.00 H new ATOM 0 HA3 GLY A -3 126.181 10.444 2.977 1.00 0.00 H new ATOM 10 N ALA A -2 123.458 10.837 3.254 1.00 0.00 N ATOM 11 CA ALA A -2 122.005 10.507 3.145 1.00 0.00 C ATOM 12 C ALA A -2 121.693 9.945 1.755 1.00 0.00 C ATOM 13 O ALA A -2 122.237 10.391 0.761 1.00 0.00 O ATOM 14 CB ALA A -2 121.280 11.836 3.360 1.00 0.00 C ATOM 0 H ALA A -2 123.740 11.699 2.786 1.00 0.00 H new ATOM 0 HA ALA A -2 121.698 9.753 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A -2 120.203 11.678 3.295 1.00 0.00 H new ATOM 0 HB2 ALA A -2 121.530 12.232 4.345 1.00 0.00 H new ATOM 0 HB3 ALA A -2 121.589 12.547 2.594 1.00 0.00 H new ATOM 20 N MET A -1 120.821 8.967 1.682 1.00 0.00 N ATOM 21 CA MET A -1 120.461 8.364 0.356 1.00 0.00 C ATOM 22 C MET A -1 119.740 9.395 -0.520 1.00 0.00 C ATOM 23 O MET A -1 119.896 9.410 -1.727 1.00 0.00 O ATOM 24 CB MET A -1 119.530 7.193 0.679 1.00 0.00 C ATOM 25 CG MET A -1 120.311 6.107 1.421 1.00 0.00 C ATOM 26 SD MET A -1 119.243 4.668 1.683 1.00 0.00 S ATOM 27 CE MET A -1 120.405 3.702 2.678 1.00 0.00 C ATOM 0 H MET A -1 120.342 8.559 2.484 1.00 0.00 H new ATOM 0 HA MET A -1 121.344 8.039 -0.195 1.00 0.00 H new ATOM 0 HB2 MET A -1 118.695 7.537 1.290 1.00 0.00 H new ATOM 0 HB3 MET A -1 119.107 6.787 -0.240 1.00 0.00 H new ATOM 0 HG2 MET A -1 121.191 5.820 0.846 1.00 0.00 H new ATOM 0 HG3 MET A -1 120.666 6.489 2.378 1.00 0.00 H new ATOM 0 HE1 MET A -1 119.945 2.754 2.957 1.00 0.00 H new ATOM 0 HE2 MET A -1 121.308 3.510 2.099 1.00 0.00 H new ATOM 0 HE3 MET A -1 120.663 4.259 3.579 1.00 0.00 H new ATOM 37 N GLY A 0 118.953 10.252 0.084 1.00 0.00 N ATOM 38 CA GLY A 0 118.205 11.281 -0.701 1.00 0.00 C ATOM 39 C GLY A 0 116.750 10.839 -0.875 1.00 0.00 C ATOM 40 O GLY A 0 115.846 11.653 -0.890 1.00 0.00 O ATOM 0 H GLY A 0 118.797 10.282 1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 0 118.244 12.243 -0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 0 118.672 11.419 -1.676 1.00 0.00 H new ATOM 44 N MET A 1 116.521 9.554 -1.007 1.00 0.00 N ATOM 45 CA MET A 1 115.124 9.042 -1.165 1.00 0.00 C ATOM 46 C MET A 1 114.843 7.949 -0.131 1.00 0.00 C ATOM 47 O MET A 1 115.753 7.323 0.383 1.00 0.00 O ATOM 48 CB MET A 1 115.070 8.467 -2.581 1.00 0.00 C ATOM 49 CG MET A 1 115.207 9.600 -3.601 1.00 0.00 C ATOM 50 SD MET A 1 114.961 8.945 -5.271 1.00 0.00 S ATOM 51 CE MET A 1 116.372 7.812 -5.282 1.00 0.00 C ATOM 0 H MET A 1 117.245 8.836 -1.012 1.00 0.00 H new ATOM 0 HA MET A 1 114.378 9.822 -1.014 1.00 0.00 H new ATOM 0 HB2 MET A 1 115.870 7.740 -2.720 1.00 0.00 H new ATOM 0 HB3 MET A 1 114.129 7.938 -2.734 1.00 0.00 H new ATOM 0 HG2 MET A 1 114.475 10.380 -3.394 1.00 0.00 H new ATOM 0 HG3 MET A 1 116.193 10.058 -3.521 1.00 0.00 H new ATOM 0 HE1 MET A 1 116.821 7.799 -6.275 1.00 0.00 H new ATOM 0 HE2 MET A 1 117.112 8.145 -4.554 1.00 0.00 H new ATOM 0 HE3 MET A 1 116.035 6.808 -5.023 1.00 0.00 H new ATOM 61 N SER A 2 113.590 7.717 0.175 1.00 0.00 N ATOM 62 CA SER A 2 113.233 6.667 1.179 1.00 0.00 C ATOM 63 C SER A 2 112.332 5.606 0.540 1.00 0.00 C ATOM 64 O SER A 2 111.589 5.888 -0.382 1.00 0.00 O ATOM 65 CB SER A 2 112.483 7.412 2.282 1.00 0.00 C ATOM 66 OG SER A 2 113.307 8.455 2.788 1.00 0.00 O ATOM 0 H SER A 2 112.795 8.212 -0.230 1.00 0.00 H new ATOM 0 HA SER A 2 114.112 6.148 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 2 111.553 7.825 1.891 1.00 0.00 H new ATOM 0 HB3 SER A 2 112.214 6.724 3.083 1.00 0.00 H new ATOM 0 HG SER A 2 112.828 8.936 3.495 1.00 0.00 H new ATOM 72 N VAL A 3 112.396 4.391 1.027 1.00 0.00 N ATOM 73 CA VAL A 3 111.543 3.295 0.457 1.00 0.00 C ATOM 74 C VAL A 3 110.060 3.578 0.744 1.00 0.00 C ATOM 75 O VAL A 3 109.194 3.213 -0.029 1.00 0.00 O ATOM 76 CB VAL A 3 111.999 2.003 1.162 1.00 0.00 C ATOM 77 CG1 VAL A 3 111.190 0.810 0.643 1.00 0.00 C ATOM 78 CG2 VAL A 3 113.486 1.758 0.879 1.00 0.00 C ATOM 0 H VAL A 3 113.003 4.108 1.796 1.00 0.00 H new ATOM 0 HA VAL A 3 111.650 3.215 -0.625 1.00 0.00 H new ATOM 0 HB VAL A 3 111.840 2.112 2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 3 111.519 -0.099 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 3 110.131 0.973 0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 3 111.344 0.706 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 3 113.806 0.844 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.640 1.657 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 3 114.071 2.599 1.252 1.00 0.00 H new ATOM 88 N ALA A 4 109.768 4.225 1.849 1.00 0.00 N ATOM 89 CA ALA A 4 108.340 4.513 2.210 1.00 0.00 C ATOM 90 C ALA A 4 107.679 5.399 1.147 1.00 0.00 C ATOM 91 O ALA A 4 106.487 5.316 0.916 1.00 0.00 O ATOM 92 CB ALA A 4 108.398 5.248 3.553 1.00 0.00 C ATOM 0 H ALA A 4 110.458 4.567 2.518 1.00 0.00 H new ATOM 0 HA ALA A 4 107.750 3.598 2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 4 107.387 5.491 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 4 108.876 4.610 4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 4 108.973 6.167 3.440 1.00 0.00 H new ATOM 98 N ASP A 5 108.448 6.246 0.500 1.00 0.00 N ATOM 99 CA ASP A 5 107.873 7.131 -0.567 1.00 0.00 C ATOM 100 C ASP A 5 107.358 6.287 -1.740 1.00 0.00 C ATOM 101 O ASP A 5 106.321 6.574 -2.309 1.00 0.00 O ATOM 102 CB ASP A 5 109.028 8.028 -1.023 1.00 0.00 C ATOM 103 CG ASP A 5 109.442 8.961 0.119 1.00 0.00 C ATOM 104 OD1 ASP A 5 108.562 9.445 0.814 1.00 0.00 O ATOM 105 OD2 ASP A 5 110.631 9.179 0.277 1.00 0.00 O ATOM 0 H ASP A 5 109.448 6.363 0.664 1.00 0.00 H new ATOM 0 HA ASP A 5 107.030 7.714 -0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 5 109.876 7.416 -1.331 1.00 0.00 H new ATOM 0 HB3 ASP A 5 108.725 8.613 -1.891 1.00 0.00 H new ATOM 110 N PHE A 6 108.078 5.252 -2.100 1.00 0.00 N ATOM 111 CA PHE A 6 107.625 4.369 -3.222 1.00 0.00 C ATOM 112 C PHE A 6 106.410 3.543 -2.788 1.00 0.00 C ATOM 113 O PHE A 6 105.551 3.223 -3.589 1.00 0.00 O ATOM 114 CB PHE A 6 108.813 3.457 -3.534 1.00 0.00 C ATOM 115 CG PHE A 6 110.017 4.198 -4.066 1.00 0.00 C ATOM 116 CD1 PHE A 6 110.996 4.693 -3.169 1.00 0.00 C ATOM 117 CD2 PHE A 6 110.166 4.402 -5.459 1.00 0.00 C ATOM 118 CE1 PHE A 6 112.124 5.390 -3.666 1.00 0.00 C ATOM 119 CE2 PHE A 6 111.295 5.098 -5.956 1.00 0.00 C ATOM 120 CZ PHE A 6 112.274 5.593 -5.060 1.00 0.00 C ATOM 0 H PHE A 6 108.960 4.980 -1.666 1.00 0.00 H new ATOM 0 HA PHE A 6 107.323 4.945 -4.097 1.00 0.00 H new ATOM 0 HB2 PHE A 6 109.097 2.921 -2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 6 108.505 2.709 -4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 6 110.882 4.539 -2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 6 109.419 4.027 -6.143 1.00 0.00 H new ATOM 0 HE1 PHE A 6 112.870 5.767 -2.982 1.00 0.00 H new ATOM 0 HE2 PHE A 6 111.409 5.251 -7.019 1.00 0.00 H new ATOM 0 HZ PHE A 6 113.134 6.125 -5.439 1.00 0.00 H new ATOM 130 N TYR A 7 106.334 3.196 -1.525 1.00 0.00 N ATOM 131 CA TYR A 7 105.139 2.447 -1.017 1.00 0.00 C ATOM 132 C TYR A 7 103.929 3.383 -0.952 1.00 0.00 C ATOM 133 O TYR A 7 104.010 4.476 -0.424 1.00 0.00 O ATOM 134 CB TYR A 7 105.524 1.960 0.386 1.00 0.00 C ATOM 135 CG TYR A 7 106.116 0.564 0.419 1.00 0.00 C ATOM 136 CD1 TYR A 7 106.990 0.128 -0.610 1.00 0.00 C ATOM 137 CD2 TYR A 7 105.803 -0.303 1.495 1.00 0.00 C ATOM 138 CE1 TYR A 7 107.548 -1.173 -0.561 1.00 0.00 C ATOM 139 CE2 TYR A 7 106.359 -1.604 1.540 1.00 0.00 C ATOM 140 CZ TYR A 7 107.232 -2.039 0.514 1.00 0.00 C ATOM 141 OH TYR A 7 107.779 -3.303 0.566 1.00 0.00 O ATOM 0 H TYR A 7 107.047 3.399 -0.824 1.00 0.00 H new ATOM 0 HA TYR A 7 104.868 1.614 -1.666 1.00 0.00 H new ATOM 0 HB2 TYR A 7 106.243 2.658 0.816 1.00 0.00 H new ATOM 0 HB3 TYR A 7 104.639 1.982 1.022 1.00 0.00 H new ATOM 0 HD1 TYR A 7 107.230 0.788 -1.431 1.00 0.00 H new ATOM 0 HD2 TYR A 7 105.140 0.029 2.281 1.00 0.00 H new ATOM 0 HE1 TYR A 7 108.214 -1.505 -1.344 1.00 0.00 H new ATOM 0 HE2 TYR A 7 106.117 -2.266 2.358 1.00 0.00 H new ATOM 0 HH TYR A 7 107.459 -3.765 1.369 1.00 0.00 H new ATOM 151 N GLY A 8 102.813 2.956 -1.485 1.00 0.00 N ATOM 152 CA GLY A 8 101.599 3.828 -1.503 1.00 0.00 C ATOM 153 C GLY A 8 101.619 4.759 -2.727 1.00 0.00 C ATOM 154 O GLY A 8 100.718 5.557 -2.908 1.00 0.00 O ATOM 0 H GLY A 8 102.689 2.037 -1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 8 100.701 3.210 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.557 4.421 -0.589 1.00 0.00 H new ATOM 158 N SER A 9 102.630 4.668 -3.567 1.00 0.00 N ATOM 159 CA SER A 9 102.677 5.538 -4.784 1.00 0.00 C ATOM 160 C SER A 9 101.924 4.871 -5.937 1.00 0.00 C ATOM 161 O SER A 9 101.878 3.658 -6.034 1.00 0.00 O ATOM 162 CB SER A 9 104.162 5.685 -5.121 1.00 0.00 C ATOM 163 OG SER A 9 104.658 4.452 -5.626 1.00 0.00 O ATOM 0 H SER A 9 103.419 4.031 -3.460 1.00 0.00 H new ATOM 0 HA SER A 9 102.207 6.507 -4.615 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.302 6.475 -5.859 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.720 5.977 -4.232 1.00 0.00 H new ATOM 0 HG SER A 9 105.292 4.067 -4.985 1.00 0.00 H new ATOM 169 N ASN A 10 101.335 5.652 -6.808 1.00 0.00 N ATOM 170 CA ASN A 10 100.623 5.069 -7.986 1.00 0.00 C ATOM 171 C ASN A 10 101.549 5.058 -9.202 1.00 0.00 C ATOM 172 O ASN A 10 101.944 6.096 -9.702 1.00 0.00 O ATOM 173 CB ASN A 10 99.430 5.996 -8.230 1.00 0.00 C ATOM 174 CG ASN A 10 98.387 5.277 -9.091 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.729 4.494 -9.956 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.120 5.512 -8.889 1.00 0.00 N ATOM 0 H ASN A 10 101.317 6.670 -6.754 1.00 0.00 H new ATOM 0 HA ASN A 10 100.308 4.040 -7.812 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.988 6.294 -7.279 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.761 6.908 -8.728 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.417 5.039 -9.457 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.832 6.169 -8.163 1.00 0.00 H new ATOM 183 N VAL A 11 101.897 3.889 -9.676 1.00 0.00 N ATOM 184 CA VAL A 11 102.777 3.787 -10.879 1.00 0.00 C ATOM 185 C VAL A 11 102.148 2.837 -11.901 1.00 0.00 C ATOM 186 O VAL A 11 101.275 2.056 -11.570 1.00 0.00 O ATOM 187 CB VAL A 11 104.120 3.232 -10.370 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.754 4.236 -9.404 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.910 1.896 -9.641 1.00 0.00 C ATOM 0 H VAL A 11 101.607 2.995 -9.279 1.00 0.00 H new ATOM 0 HA VAL A 11 102.912 4.749 -11.373 1.00 0.00 H new ATOM 0 HB VAL A 11 104.776 3.070 -11.225 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.705 3.843 -9.043 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.924 5.181 -9.921 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.085 4.400 -8.559 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.870 1.519 -9.288 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.245 2.046 -8.791 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.466 1.174 -10.326 1.00 0.00 H new ATOM 199 N GLU A 12 102.582 2.898 -13.136 1.00 0.00 N ATOM 200 CA GLU A 12 102.090 1.923 -14.154 1.00 0.00 C ATOM 201 C GLU A 12 103.265 1.101 -14.692 1.00 0.00 C ATOM 202 O GLU A 12 104.371 1.591 -14.808 1.00 0.00 O ATOM 203 CB GLU A 12 101.472 2.783 -15.262 1.00 0.00 C ATOM 204 CG GLU A 12 100.863 1.883 -16.345 1.00 0.00 C ATOM 205 CD GLU A 12 100.273 2.749 -17.460 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.625 3.733 -17.142 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.480 2.413 -18.615 1.00 0.00 O ATOM 0 H GLU A 12 103.256 3.581 -13.482 1.00 0.00 H new ATOM 0 HA GLU A 12 101.367 1.217 -13.745 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.704 3.433 -14.843 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.233 3.429 -15.700 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.626 1.219 -16.752 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.087 1.251 -15.913 1.00 0.00 H new ATOM 214 N VAL A 13 103.033 -0.146 -15.013 1.00 0.00 N ATOM 215 CA VAL A 13 104.127 -0.998 -15.569 1.00 0.00 C ATOM 216 C VAL A 13 103.624 -1.762 -16.795 1.00 0.00 C ATOM 217 O VAL A 13 102.484 -2.189 -16.838 1.00 0.00 O ATOM 218 CB VAL A 13 104.507 -1.962 -14.429 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.343 -2.911 -14.108 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.720 -2.795 -14.850 1.00 0.00 C ATOM 0 H VAL A 13 102.131 -0.612 -14.914 1.00 0.00 H new ATOM 0 HA VAL A 13 104.986 -0.413 -15.897 1.00 0.00 H new ATOM 0 HB VAL A 13 104.740 -1.372 -13.543 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.633 -3.583 -13.300 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.473 -2.330 -13.801 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.095 -3.495 -14.994 1.00 0.00 H new ATOM 0 HG21 VAL A 13 105.990 -3.478 -14.044 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.475 -3.368 -15.744 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.560 -2.133 -15.062 1.00 0.00 H new ATOM 230 N LEU A 14 104.460 -1.937 -17.787 1.00 0.00 N ATOM 231 CA LEU A 14 104.111 -2.902 -18.873 1.00 0.00 C ATOM 232 C LEU A 14 104.718 -4.260 -18.555 1.00 0.00 C ATOM 233 O LEU A 14 105.862 -4.354 -18.147 1.00 0.00 O ATOM 234 CB LEU A 14 104.715 -2.372 -20.180 1.00 0.00 C ATOM 235 CG LEU A 14 104.270 -0.929 -20.505 1.00 0.00 C ATOM 236 CD1 LEU A 14 104.246 -0.762 -22.024 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.866 -0.637 -19.967 1.00 0.00 C ATOM 0 H LEU A 14 105.356 -1.461 -17.892 1.00 0.00 H new ATOM 0 HA LEU A 14 103.030 -3.006 -18.962 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.802 -2.405 -20.112 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.427 -3.029 -21.000 1.00 0.00 H new ATOM 0 HG LEU A 14 104.971 -0.239 -20.035 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.934 0.252 -22.274 1.00 0.00 H new ATOM 0 HD12 LEU A 14 105.243 -0.944 -22.426 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.544 -1.475 -22.457 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.587 0.387 -20.215 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.153 -1.327 -20.418 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.858 -0.764 -18.884 1.00 0.00 H new ATOM 249 N LEU A 15 103.965 -5.307 -18.737 1.00 0.00 N ATOM 250 CA LEU A 15 104.537 -6.670 -18.551 1.00 0.00 C ATOM 251 C LEU A 15 105.200 -7.138 -19.850 1.00 0.00 C ATOM 252 O LEU A 15 105.138 -6.467 -20.864 1.00 0.00 O ATOM 253 CB LEU A 15 103.352 -7.569 -18.186 1.00 0.00 C ATOM 254 CG LEU A 15 102.780 -7.147 -16.831 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.445 -7.854 -16.598 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.760 -7.535 -15.720 1.00 0.00 C ATOM 0 H LEU A 15 102.981 -5.280 -19.006 1.00 0.00 H new ATOM 0 HA LEU A 15 105.302 -6.694 -17.775 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.581 -7.500 -18.954 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.672 -8.610 -18.148 1.00 0.00 H new ATOM 0 HG LEU A 15 102.627 -6.068 -16.823 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.038 -7.553 -15.633 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.746 -7.580 -17.388 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.598 -8.933 -16.607 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.353 -7.235 -14.755 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.912 -8.614 -15.730 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.713 -7.033 -15.884 1.00 0.00 H new ATOM 268 N ASN A 16 105.832 -8.286 -19.821 1.00 0.00 N ATOM 269 CA ASN A 16 106.584 -8.787 -21.026 1.00 0.00 C ATOM 270 C ASN A 16 105.666 -8.908 -22.257 1.00 0.00 C ATOM 271 O ASN A 16 106.132 -8.929 -23.381 1.00 0.00 O ATOM 272 CB ASN A 16 107.135 -10.167 -20.625 1.00 0.00 C ATOM 273 CG ASN A 16 105.989 -11.109 -20.230 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.105 -11.373 -21.020 1.00 0.00 O ATOM 275 ND2 ASN A 16 105.970 -11.626 -19.032 1.00 0.00 N ATOM 0 H ASN A 16 105.862 -8.905 -19.011 1.00 0.00 H new ATOM 0 HA ASN A 16 107.378 -8.095 -21.307 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.697 -10.596 -21.455 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.829 -10.060 -19.792 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.213 -12.252 -18.759 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.713 -11.404 -18.369 1.00 0.00 H new ATOM 282 N ASN A 17 104.373 -8.986 -22.051 1.00 0.00 N ATOM 283 CA ASN A 17 103.432 -9.153 -23.202 1.00 0.00 C ATOM 284 C ASN A 17 102.879 -7.792 -23.666 1.00 0.00 C ATOM 285 O ASN A 17 101.820 -7.725 -24.259 1.00 0.00 O ATOM 286 CB ASN A 17 102.304 -10.058 -22.675 1.00 0.00 C ATOM 287 CG ASN A 17 101.550 -9.381 -21.519 1.00 0.00 C ATOM 288 OD1 ASN A 17 102.029 -8.427 -20.936 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.383 -9.841 -21.162 1.00 0.00 N ATOM 0 H ASN A 17 103.929 -8.941 -21.134 1.00 0.00 H new ATOM 0 HA ASN A 17 103.927 -9.589 -24.070 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.609 -10.287 -23.483 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.722 -11.006 -22.336 1.00 0.00 H new ATOM 0 HD21 ASN A 17 99.874 -9.401 -20.395 1.00 0.00 H new ATOM 0 HD22 ASN A 17 99.979 -10.641 -21.649 1.00 0.00 H new ATOM 296 N ASP A 18 103.588 -6.707 -23.396 1.00 0.00 N ATOM 297 CA ASP A 18 103.171 -5.354 -23.908 1.00 0.00 C ATOM 298 C ASP A 18 101.764 -4.994 -23.412 1.00 0.00 C ATOM 299 O ASP A 18 101.061 -4.221 -24.036 1.00 0.00 O ATOM 300 CB ASP A 18 103.194 -5.447 -25.443 1.00 0.00 C ATOM 301 CG ASP A 18 104.620 -5.726 -25.924 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.536 -5.128 -25.383 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.772 -6.532 -26.827 1.00 0.00 O ATOM 0 H ASP A 18 104.442 -6.705 -22.839 1.00 0.00 H new ATOM 0 HA ASP A 18 103.843 -4.575 -23.548 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.526 -6.240 -25.779 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.829 -4.517 -25.878 1.00 0.00 H new ATOM 308 N SER A 19 101.351 -5.549 -22.293 1.00 0.00 N ATOM 309 CA SER A 19 100.083 -5.097 -21.652 1.00 0.00 C ATOM 310 C SER A 19 100.414 -4.160 -20.490 1.00 0.00 C ATOM 311 O SER A 19 101.388 -4.358 -19.788 1.00 0.00 O ATOM 312 CB SER A 19 99.410 -6.374 -21.145 1.00 0.00 C ATOM 313 OG SER A 19 100.171 -6.915 -20.073 1.00 0.00 O ATOM 0 H SER A 19 101.842 -6.295 -21.800 1.00 0.00 H new ATOM 0 HA SER A 19 99.433 -4.553 -22.337 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.395 -6.156 -20.812 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.330 -7.102 -21.953 1.00 0.00 H new ATOM 0 HG SER A 19 101.058 -7.173 -20.399 1.00 0.00 H new ATOM 319 N LYS A 20 99.613 -3.144 -20.280 1.00 0.00 N ATOM 320 CA LYS A 20 99.951 -2.125 -19.241 1.00 0.00 C ATOM 321 C LYS A 20 98.997 -2.225 -18.043 1.00 0.00 C ATOM 322 O LYS A 20 97.812 -2.454 -18.198 1.00 0.00 O ATOM 323 CB LYS A 20 99.815 -0.763 -19.945 1.00 0.00 C ATOM 324 CG LYS A 20 98.362 -0.505 -20.369 1.00 0.00 C ATOM 325 CD LYS A 20 98.272 0.852 -21.067 1.00 0.00 C ATOM 326 CE LYS A 20 96.818 1.322 -21.082 1.00 0.00 C ATOM 327 NZ LYS A 20 96.721 2.239 -22.252 1.00 0.00 N ATOM 0 H LYS A 20 98.741 -2.977 -20.783 1.00 0.00 H new ATOM 0 HA LYS A 20 100.955 -2.273 -18.842 1.00 0.00 H new ATOM 0 HB2 LYS A 20 100.149 0.031 -19.277 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.463 -0.736 -20.821 1.00 0.00 H new ATOM 0 HG2 LYS A 20 98.021 -1.294 -21.039 1.00 0.00 H new ATOM 0 HG3 LYS A 20 97.708 -0.522 -19.497 1.00 0.00 H new ATOM 0 HD2 LYS A 20 98.896 1.581 -20.550 1.00 0.00 H new ATOM 0 HD3 LYS A 20 98.651 0.775 -22.086 1.00 0.00 H new ATOM 0 HE2 LYS A 20 96.132 0.481 -21.182 1.00 0.00 H new ATOM 0 HE3 LYS A 20 96.560 1.835 -20.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 95.750 2.603 -22.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 97.380 3.034 -22.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 96.966 1.721 -23.120 1.00 0.00 H new ATOM 341 N ALA A 21 99.518 -2.055 -16.852 1.00 0.00 N ATOM 342 CA ALA A 21 98.648 -2.035 -15.636 1.00 0.00 C ATOM 343 C ALA A 21 99.093 -0.912 -14.696 1.00 0.00 C ATOM 344 O ALA A 21 100.267 -0.602 -14.605 1.00 0.00 O ATOM 345 CB ALA A 21 98.853 -3.399 -14.978 1.00 0.00 C ATOM 0 H ALA A 21 100.514 -1.929 -16.670 1.00 0.00 H new ATOM 0 HA ALA A 21 97.600 -1.856 -15.877 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.246 -3.462 -14.075 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.556 -4.186 -15.671 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.904 -3.523 -14.718 1.00 0.00 H new ATOM 351 N ARG A 22 98.166 -0.301 -13.997 1.00 0.00 N ATOM 352 CA ARG A 22 98.525 0.839 -13.095 1.00 0.00 C ATOM 353 C ARG A 22 97.764 0.738 -11.772 1.00 0.00 C ATOM 354 O ARG A 22 96.625 0.311 -11.736 1.00 0.00 O ATOM 355 CB ARG A 22 98.124 2.113 -13.860 1.00 0.00 C ATOM 356 CG ARG A 22 96.626 2.087 -14.197 1.00 0.00 C ATOM 357 CD ARG A 22 96.289 3.261 -15.122 1.00 0.00 C ATOM 358 NE ARG A 22 96.470 4.485 -14.281 1.00 0.00 N ATOM 359 CZ ARG A 22 95.582 4.838 -13.371 1.00 0.00 C ATOM 360 NH1 ARG A 22 94.503 4.121 -13.146 1.00 0.00 N ATOM 361 NH2 ARG A 22 95.782 5.921 -12.671 1.00 0.00 N ATOM 0 H ARG A 22 97.175 -0.543 -14.012 1.00 0.00 H new ATOM 0 HA ARG A 22 99.586 0.839 -12.846 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.353 2.993 -13.259 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.708 2.193 -14.777 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.367 1.144 -14.679 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.036 2.150 -13.283 1.00 0.00 H new ATOM 0 HD2 ARG A 22 96.947 3.279 -15.991 1.00 0.00 H new ATOM 0 HD3 ARG A 22 95.268 3.187 -15.496 1.00 0.00 H new ATOM 0 HE ARG A 22 97.301 5.061 -14.414 1.00 0.00 H new ATOM 0 HH11 ARG A 22 94.336 3.269 -13.681 1.00 0.00 H new ATOM 0 HH12 ARG A 22 93.833 4.417 -12.436 1.00 0.00 H new ATOM 0 HH21 ARG A 22 96.617 6.484 -12.830 1.00 0.00 H new ATOM 0 HH22 ARG A 22 95.103 6.204 -11.965 1.00 0.00 H new ATOM 375 N GLY A 23 98.390 1.127 -10.688 1.00 0.00 N ATOM 376 CA GLY A 23 97.702 1.087 -9.362 1.00 0.00 C ATOM 377 C GLY A 23 98.666 1.566 -8.272 1.00 0.00 C ATOM 378 O GLY A 23 99.770 1.989 -8.559 1.00 0.00 O ATOM 0 H GLY A 23 99.350 1.471 -10.666 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.815 1.720 -9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.366 0.073 -9.145 1.00 0.00 H new ATOM 382 N VAL A 24 98.255 1.499 -7.028 1.00 0.00 N ATOM 383 CA VAL A 24 99.126 1.996 -5.915 1.00 0.00 C ATOM 384 C VAL A 24 99.966 0.840 -5.359 1.00 0.00 C ATOM 385 O VAL A 24 99.482 -0.260 -5.187 1.00 0.00 O ATOM 386 CB VAL A 24 98.161 2.535 -4.845 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.960 3.131 -3.682 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.271 3.628 -5.446 1.00 0.00 C ATOM 0 H VAL A 24 97.354 1.122 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 24 99.820 2.768 -6.246 1.00 0.00 H new ATOM 0 HB VAL A 24 97.541 1.714 -4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.273 3.512 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.592 2.360 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.584 3.946 -4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.591 4.004 -4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.894 4.445 -5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.694 3.214 -6.273 1.00 0.00 H new ATOM 398 N ILE A 25 101.221 1.089 -5.078 1.00 0.00 N ATOM 399 CA ILE A 25 102.119 -0.003 -4.578 1.00 0.00 C ATOM 400 C ILE A 25 101.892 -0.227 -3.076 1.00 0.00 C ATOM 401 O ILE A 25 101.719 0.711 -2.322 1.00 0.00 O ATOM 402 CB ILE A 25 103.548 0.503 -4.858 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.770 0.570 -6.374 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.595 -0.433 -4.228 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.027 1.390 -6.674 1.00 0.00 C ATOM 0 H ILE A 25 101.665 2.002 -5.173 1.00 0.00 H new ATOM 0 HA ILE A 25 101.930 -0.960 -5.065 1.00 0.00 H new ATOM 0 HB ILE A 25 103.661 1.493 -4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.874 -0.436 -6.781 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.905 1.022 -6.859 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.595 -0.055 -4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.443 -0.475 -3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.489 -1.433 -4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.183 1.436 -7.752 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.905 2.400 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.890 0.919 -6.203 1.00 0.00 H new ATOM 417 N THR A 26 101.889 -1.469 -2.646 1.00 0.00 N ATOM 418 CA THR A 26 101.683 -1.762 -1.193 1.00 0.00 C ATOM 419 C THR A 26 102.820 -2.621 -0.622 1.00 0.00 C ATOM 420 O THR A 26 103.213 -2.440 0.516 1.00 0.00 O ATOM 421 CB THR A 26 100.355 -2.519 -1.118 1.00 0.00 C ATOM 422 OG1 THR A 26 100.392 -3.634 -2.001 1.00 0.00 O ATOM 423 CG2 THR A 26 99.210 -1.581 -1.508 1.00 0.00 C ATOM 0 H THR A 26 102.020 -2.289 -3.238 1.00 0.00 H new ATOM 0 HA THR A 26 101.672 -0.844 -0.605 1.00 0.00 H new ATOM 0 HB THR A 26 100.195 -2.875 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.458 -3.317 -2.926 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.264 -2.120 -1.455 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.184 -0.734 -0.823 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.365 -1.220 -2.525 1.00 0.00 H new ATOM 431 N ASN A 27 103.355 -3.551 -1.388 1.00 0.00 N ATOM 432 CA ASN A 27 104.347 -4.510 -0.804 1.00 0.00 C ATOM 433 C ASN A 27 105.541 -4.708 -1.740 1.00 0.00 C ATOM 434 O ASN A 27 105.412 -4.650 -2.947 1.00 0.00 O ATOM 435 CB ASN A 27 103.576 -5.820 -0.639 1.00 0.00 C ATOM 436 CG ASN A 27 104.401 -6.795 0.204 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.966 -7.738 -0.314 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.494 -6.607 1.492 1.00 0.00 N ATOM 0 H ASN A 27 103.149 -3.684 -2.378 1.00 0.00 H new ATOM 0 HA ASN A 27 104.754 -4.145 0.139 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.615 -5.631 -0.160 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.365 -6.256 -1.616 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.041 -7.251 2.063 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.020 -5.816 1.927 1.00 0.00 H new ATOM 445 N PHE A 28 106.701 -4.938 -1.177 1.00 0.00 N ATOM 446 CA PHE A 28 107.904 -5.267 -1.998 1.00 0.00 C ATOM 447 C PHE A 28 108.831 -6.189 -1.203 1.00 0.00 C ATOM 448 O PHE A 28 109.168 -5.910 -0.068 1.00 0.00 O ATOM 449 CB PHE A 28 108.579 -3.923 -2.272 1.00 0.00 C ATOM 450 CG PHE A 28 109.660 -3.996 -3.323 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.317 -4.235 -4.675 1.00 0.00 C ATOM 452 CD2 PHE A 28 111.018 -3.824 -2.955 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.330 -4.300 -5.662 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.031 -3.890 -3.943 1.00 0.00 C ATOM 455 CZ PHE A 28 111.688 -4.128 -5.295 1.00 0.00 C ATOM 0 H PHE A 28 106.866 -4.911 -0.171 1.00 0.00 H new ATOM 0 HA PHE A 28 107.653 -5.784 -2.924 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.824 -3.204 -2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 28 109.010 -3.546 -1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.282 -4.368 -4.954 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.280 -3.643 -1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.068 -4.481 -6.694 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.066 -3.759 -3.664 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.461 -4.179 -6.047 1.00 0.00 H new ATOM 465 N ASP A 29 109.243 -7.282 -1.795 1.00 0.00 N ATOM 466 CA ASP A 29 110.086 -8.273 -1.057 1.00 0.00 C ATOM 467 C ASP A 29 111.411 -8.482 -1.790 1.00 0.00 C ATOM 468 O ASP A 29 111.433 -8.869 -2.941 1.00 0.00 O ATOM 469 CB ASP A 29 109.264 -9.564 -1.053 1.00 0.00 C ATOM 470 CG ASP A 29 109.894 -10.570 -0.086 1.00 0.00 C ATOM 471 OD1 ASP A 29 111.105 -10.715 -0.117 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.152 -11.180 0.667 1.00 0.00 O ATOM 0 H ASP A 29 109.031 -7.532 -2.761 1.00 0.00 H new ATOM 0 HA ASP A 29 110.329 -7.942 -0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.237 -9.352 -0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.225 -9.985 -2.058 1.00 0.00 H new ATOM 477 N SER A 30 112.513 -8.226 -1.127 1.00 0.00 N ATOM 478 CA SER A 30 113.851 -8.393 -1.782 1.00 0.00 C ATOM 479 C SER A 30 114.153 -9.876 -2.027 1.00 0.00 C ATOM 480 O SER A 30 114.846 -10.224 -2.965 1.00 0.00 O ATOM 481 CB SER A 30 114.861 -7.799 -0.798 1.00 0.00 C ATOM 482 OG SER A 30 114.494 -6.459 -0.498 1.00 0.00 O ATOM 0 H SER A 30 112.545 -7.908 -0.158 1.00 0.00 H new ATOM 0 HA SER A 30 113.888 -7.899 -2.753 1.00 0.00 H new ATOM 0 HB2 SER A 30 114.889 -8.393 0.115 1.00 0.00 H new ATOM 0 HB3 SER A 30 115.863 -7.826 -1.227 1.00 0.00 H new ATOM 0 HG SER A 30 115.139 -6.077 0.134 1.00 0.00 H new ATOM 488 N SER A 31 113.638 -10.750 -1.192 1.00 0.00 N ATOM 489 CA SER A 31 113.974 -12.210 -1.312 1.00 0.00 C ATOM 490 C SER A 31 113.544 -12.761 -2.677 1.00 0.00 C ATOM 491 O SER A 31 114.303 -13.440 -3.345 1.00 0.00 O ATOM 492 CB SER A 31 113.194 -12.900 -0.192 1.00 0.00 C ATOM 493 OG SER A 31 113.515 -12.286 1.050 1.00 0.00 O ATOM 0 H SER A 31 112.999 -10.517 -0.432 1.00 0.00 H new ATOM 0 HA SER A 31 115.047 -12.380 -1.230 1.00 0.00 H new ATOM 0 HB2 SER A 31 112.123 -12.828 -0.381 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.441 -13.961 -0.161 1.00 0.00 H new ATOM 0 HG SER A 31 113.016 -12.724 1.770 1.00 0.00 H new ATOM 499 N ASN A 32 112.334 -12.474 -3.092 1.00 0.00 N ATOM 500 CA ASN A 32 111.847 -12.974 -4.418 1.00 0.00 C ATOM 501 C ASN A 32 111.373 -11.816 -5.314 1.00 0.00 C ATOM 502 O ASN A 32 110.796 -12.041 -6.362 1.00 0.00 O ATOM 503 CB ASN A 32 110.677 -13.900 -4.081 1.00 0.00 C ATOM 504 CG ASN A 32 110.318 -14.739 -5.308 1.00 0.00 C ATOM 505 OD1 ASN A 32 109.063 -14.983 -5.571 1.00 0.00 O flip ATOM 506 ND2 ASN A 32 111.187 -15.177 -6.036 1.00 0.00 N flip ATOM 0 H ASN A 32 111.661 -11.914 -2.569 1.00 0.00 H new ATOM 0 HA ASN A 32 112.637 -13.482 -4.971 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.943 -14.551 -3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 32 109.815 -13.313 -3.764 1.00 0.00 H new ATOM 0 HD21 ASN A 32 112.168 -14.987 -5.831 1.00 0.00 H new ATOM 0 HD22 ASN A 32 110.935 -15.735 -6.852 1.00 0.00 H new ATOM 513 N SER A 33 111.611 -10.580 -4.914 1.00 0.00 N ATOM 514 CA SER A 33 111.166 -9.393 -5.728 1.00 0.00 C ATOM 515 C SER A 33 109.675 -9.501 -6.092 1.00 0.00 C ATOM 516 O SER A 33 109.313 -9.659 -7.246 1.00 0.00 O ATOM 517 CB SER A 33 112.043 -9.409 -6.986 1.00 0.00 C ATOM 518 OG SER A 33 113.396 -9.644 -6.616 1.00 0.00 O ATOM 0 H SER A 33 112.099 -10.343 -4.050 1.00 0.00 H new ATOM 0 HA SER A 33 111.275 -8.461 -5.174 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.702 -10.185 -7.671 1.00 0.00 H new ATOM 0 HB3 SER A 33 111.959 -8.459 -7.514 1.00 0.00 H new ATOM 0 HG SER A 33 113.957 -9.656 -7.419 1.00 0.00 H new ATOM 524 N ILE A 34 108.811 -9.417 -5.109 1.00 0.00 N ATOM 525 CA ILE A 34 107.341 -9.531 -5.376 1.00 0.00 C ATOM 526 C ILE A 34 106.650 -8.202 -5.045 1.00 0.00 C ATOM 527 O ILE A 34 106.902 -7.604 -4.016 1.00 0.00 O ATOM 528 CB ILE A 34 106.834 -10.654 -4.452 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.651 -11.949 -4.671 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.352 -10.927 -4.734 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.520 -12.459 -6.118 1.00 0.00 C ATOM 0 H ILE A 34 109.061 -9.274 -4.130 1.00 0.00 H new ATOM 0 HA ILE A 34 107.129 -9.755 -6.421 1.00 0.00 H new ATOM 0 HB ILE A 34 106.956 -10.334 -3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.700 -11.762 -4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.308 -12.719 -3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.997 -11.722 -4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.774 -10.021 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.230 -11.232 -5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.106 -13.370 -6.237 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.473 -12.670 -6.336 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.888 -11.698 -6.807 1.00 0.00 H new ATOM 543 N LEU A 35 105.780 -7.743 -5.913 1.00 0.00 N ATOM 544 CA LEU A 35 105.141 -6.404 -5.719 1.00 0.00 C ATOM 545 C LEU A 35 103.617 -6.539 -5.730 1.00 0.00 C ATOM 546 O LEU A 35 103.040 -7.070 -6.660 1.00 0.00 O ATOM 547 CB LEU A 35 105.618 -5.575 -6.914 1.00 0.00 C ATOM 548 CG LEU A 35 105.146 -4.127 -6.769 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.108 -3.363 -5.857 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.117 -3.465 -8.148 1.00 0.00 C ATOM 0 H LEU A 35 105.484 -8.242 -6.752 1.00 0.00 H new ATOM 0 HA LEU A 35 105.408 -5.946 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.706 -5.607 -6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.232 -6.001 -7.840 1.00 0.00 H new ATOM 0 HG LEU A 35 104.147 -4.111 -6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.771 -2.332 -5.755 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.132 -3.836 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.108 -3.376 -6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.781 -2.433 -8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.117 -3.481 -8.580 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.432 -4.009 -8.798 1.00 0.00 H new ATOM 562 N GLN A 36 102.966 -6.059 -4.698 1.00 0.00 N ATOM 563 CA GLN A 36 101.474 -6.048 -4.684 1.00 0.00 C ATOM 564 C GLN A 36 100.962 -4.639 -4.976 1.00 0.00 C ATOM 565 O GLN A 36 101.383 -3.679 -4.354 1.00 0.00 O ATOM 566 CB GLN A 36 101.086 -6.477 -3.269 1.00 0.00 C ATOM 567 CG GLN A 36 101.428 -7.955 -3.071 1.00 0.00 C ATOM 568 CD GLN A 36 101.121 -8.366 -1.628 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.299 -7.588 -0.710 1.00 0.00 O ATOM 570 NE2 GLN A 36 100.665 -9.564 -1.387 1.00 0.00 N ATOM 0 H GLN A 36 103.408 -5.674 -3.863 1.00 0.00 H new ATOM 0 HA GLN A 36 101.046 -6.708 -5.439 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.615 -5.869 -2.535 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.020 -6.315 -3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.852 -8.568 -3.764 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.481 -8.128 -3.292 1.00 0.00 H new ATOM 0 HE21 GLN A 36 100.515 -10.217 -2.156 1.00 0.00 H new ATOM 0 HE22 GLN A 36 100.458 -9.848 -0.429 1.00 0.00 H new ATOM 579 N LEU A 37 100.060 -4.511 -5.919 1.00 0.00 N ATOM 580 CA LEU A 37 99.497 -3.168 -6.253 1.00 0.00 C ATOM 581 C LEU A 37 98.030 -3.089 -5.825 1.00 0.00 C ATOM 582 O LEU A 37 97.209 -3.880 -6.252 1.00 0.00 O ATOM 583 CB LEU A 37 99.611 -3.051 -7.775 1.00 0.00 C ATOM 584 CG LEU A 37 101.045 -2.688 -8.164 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.258 -2.973 -9.652 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.285 -1.199 -7.897 1.00 0.00 C ATOM 0 H LEU A 37 99.689 -5.283 -6.473 1.00 0.00 H new ATOM 0 HA LEU A 37 100.026 -2.364 -5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.326 -3.993 -8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 37 98.922 -2.291 -8.143 1.00 0.00 H new ATOM 0 HG LEU A 37 101.741 -3.283 -7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.280 -2.714 -9.929 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.086 -4.031 -9.848 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.560 -2.377 -10.240 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.307 -0.940 -8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.587 -0.606 -8.488 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.132 -0.990 -6.838 1.00 0.00 H new ATOM 598 N ARG A 38 97.700 -2.139 -4.985 1.00 0.00 N ATOM 599 CA ARG A 38 96.264 -1.921 -4.620 1.00 0.00 C ATOM 600 C ARG A 38 95.665 -0.829 -5.510 1.00 0.00 C ATOM 601 O ARG A 38 96.171 0.275 -5.576 1.00 0.00 O ATOM 602 CB ARG A 38 96.276 -1.476 -3.156 1.00 0.00 C ATOM 603 CG ARG A 38 96.161 -2.699 -2.243 1.00 0.00 C ATOM 604 CD ARG A 38 94.741 -3.266 -2.323 1.00 0.00 C ATOM 605 NE ARG A 38 94.620 -4.180 -1.144 1.00 0.00 N ATOM 606 CZ ARG A 38 94.442 -3.712 0.078 1.00 0.00 C ATOM 607 NH1 ARG A 38 94.378 -2.422 0.320 1.00 0.00 N ATOM 608 NH2 ARG A 38 94.332 -4.552 1.070 1.00 0.00 N ATOM 0 H ARG A 38 98.361 -1.505 -4.536 1.00 0.00 H new ATOM 0 HA ARG A 38 95.662 -2.819 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 38 97.196 -0.933 -2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 38 95.450 -0.791 -2.968 1.00 0.00 H new ATOM 0 HG2 ARG A 38 96.884 -3.458 -2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 38 96.396 -2.422 -1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 38 93.996 -2.471 -2.284 1.00 0.00 H new ATOM 0 HD3 ARG A 38 94.583 -3.805 -3.257 1.00 0.00 H new ATOM 0 HE ARG A 38 94.676 -5.188 -1.288 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.466 -1.754 -0.446 1.00 0.00 H new ATOM 0 HH12 ARG A 38 94.240 -2.088 1.274 1.00 0.00 H new ATOM 0 HH21 ARG A 38 94.384 -5.556 0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 38 94.194 -4.205 2.019 1.00 0.00 H new ATOM 622 N LEU A 39 94.591 -1.137 -6.193 1.00 0.00 N ATOM 623 CA LEU A 39 94.012 -0.166 -7.169 1.00 0.00 C ATOM 624 C LEU A 39 92.783 0.534 -6.576 1.00 0.00 C ATOM 625 O LEU A 39 92.063 -0.030 -5.769 1.00 0.00 O ATOM 626 CB LEU A 39 93.630 -1.017 -8.385 1.00 0.00 C ATOM 627 CG LEU A 39 93.290 -0.122 -9.587 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.492 0.753 -9.957 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.948 -1.010 -10.781 1.00 0.00 C ATOM 0 H LEU A 39 94.089 -2.022 -6.116 1.00 0.00 H new ATOM 0 HA LEU A 39 94.713 0.626 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.453 -1.683 -8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.775 -1.647 -8.140 1.00 0.00 H new ATOM 0 HG LEU A 39 92.447 0.518 -9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.236 1.381 -10.810 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.758 1.384 -9.109 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.339 0.117 -10.216 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.705 -0.386 -11.641 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.803 -1.642 -11.021 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.092 -1.637 -10.534 1.00 0.00 H new ATOM 641 N ALA A 40 92.545 1.761 -6.982 1.00 0.00 N ATOM 642 CA ALA A 40 91.453 2.583 -6.358 1.00 0.00 C ATOM 643 C ALA A 40 90.060 1.993 -6.636 1.00 0.00 C ATOM 644 O ALA A 40 89.075 2.456 -6.090 1.00 0.00 O ATOM 645 CB ALA A 40 91.576 3.968 -6.999 1.00 0.00 C ATOM 0 H ALA A 40 93.063 2.232 -7.724 1.00 0.00 H new ATOM 0 HA ALA A 40 91.558 2.611 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.809 4.627 -6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.561 4.382 -6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.446 3.883 -8.078 1.00 0.00 H new ATOM 651 N ASN A 41 89.960 0.983 -7.472 1.00 0.00 N ATOM 652 CA ASN A 41 88.637 0.316 -7.702 1.00 0.00 C ATOM 653 C ASN A 41 88.391 -0.794 -6.663 1.00 0.00 C ATOM 654 O ASN A 41 87.701 -1.757 -6.940 1.00 0.00 O ATOM 655 CB ASN A 41 88.735 -0.291 -9.106 1.00 0.00 C ATOM 656 CG ASN A 41 88.834 0.829 -10.146 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.215 1.865 -10.001 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.592 0.663 -11.194 1.00 0.00 N ATOM 0 H ASN A 41 90.738 0.593 -8.004 1.00 0.00 H new ATOM 0 HA ASN A 41 87.811 1.021 -7.610 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.608 -0.940 -9.172 1.00 0.00 H new ATOM 0 HB3 ASN A 41 87.861 -0.911 -9.307 1.00 0.00 H new ATOM 0 HD21 ASN A 41 89.666 1.403 -11.892 1.00 0.00 H new ATOM 0 HD22 ASN A 41 90.111 -0.207 -11.315 1.00 0.00 H new ATOM 665 N ASP A 42 88.948 -0.675 -5.463 1.00 0.00 N ATOM 666 CA ASP A 42 88.721 -1.708 -4.394 1.00 0.00 C ATOM 667 C ASP A 42 89.245 -3.076 -4.850 1.00 0.00 C ATOM 668 O ASP A 42 88.750 -4.105 -4.423 1.00 0.00 O ATOM 669 CB ASP A 42 87.202 -1.764 -4.173 1.00 0.00 C ATOM 670 CG ASP A 42 86.906 -2.381 -2.805 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.571 -2.009 -1.852 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.018 -3.216 -2.733 1.00 0.00 O ATOM 0 H ASP A 42 89.551 0.099 -5.185 1.00 0.00 H new ATOM 0 HA ASP A 42 89.249 -1.452 -3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.779 -0.761 -4.230 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.731 -2.354 -4.959 1.00 0.00 H new ATOM 677 N SER A 43 90.242 -3.101 -5.712 1.00 0.00 N ATOM 678 CA SER A 43 90.803 -4.407 -6.176 1.00 0.00 C ATOM 679 C SER A 43 92.280 -4.519 -5.785 1.00 0.00 C ATOM 680 O SER A 43 93.009 -3.544 -5.799 1.00 0.00 O ATOM 681 CB SER A 43 90.647 -4.390 -7.697 1.00 0.00 C ATOM 682 OG SER A 43 89.265 -4.414 -8.026 1.00 0.00 O ATOM 0 H SER A 43 90.686 -2.274 -6.110 1.00 0.00 H new ATOM 0 HA SER A 43 90.292 -5.258 -5.726 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.116 -3.498 -8.113 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.152 -5.250 -8.136 1.00 0.00 H new ATOM 0 HG SER A 43 88.856 -3.557 -7.783 1.00 0.00 H new ATOM 688 N THR A 44 92.721 -5.703 -5.437 1.00 0.00 N ATOM 689 CA THR A 44 94.149 -5.901 -5.034 1.00 0.00 C ATOM 690 C THR A 44 94.804 -6.966 -5.922 1.00 0.00 C ATOM 691 O THR A 44 94.163 -7.916 -6.334 1.00 0.00 O ATOM 692 CB THR A 44 94.098 -6.358 -3.566 1.00 0.00 C ATOM 693 OG1 THR A 44 95.422 -6.570 -3.096 1.00 0.00 O ATOM 694 CG2 THR A 44 93.296 -7.661 -3.433 1.00 0.00 C ATOM 0 H THR A 44 92.149 -6.547 -5.415 1.00 0.00 H new ATOM 0 HA THR A 44 94.741 -4.993 -5.146 1.00 0.00 H new ATOM 0 HB THR A 44 93.609 -5.585 -2.973 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.394 -6.860 -2.160 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.271 -7.968 -2.387 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.278 -7.500 -3.788 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.769 -8.442 -4.029 1.00 0.00 H new ATOM 702 N LYS A 45 96.073 -6.814 -6.214 1.00 0.00 N ATOM 703 CA LYS A 45 96.765 -7.799 -7.097 1.00 0.00 C ATOM 704 C LYS A 45 98.211 -8.009 -6.642 1.00 0.00 C ATOM 705 O LYS A 45 98.882 -7.082 -6.226 1.00 0.00 O ATOM 706 CB LYS A 45 96.728 -7.178 -8.493 1.00 0.00 C ATOM 707 CG LYS A 45 95.319 -7.312 -9.069 1.00 0.00 C ATOM 708 CD LYS A 45 95.305 -6.802 -10.511 1.00 0.00 C ATOM 709 CE LYS A 45 93.874 -6.836 -11.051 1.00 0.00 C ATOM 710 NZ LYS A 45 93.837 -5.785 -12.106 1.00 0.00 N ATOM 0 H LYS A 45 96.658 -6.049 -5.878 1.00 0.00 H new ATOM 0 HA LYS A 45 96.284 -8.777 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 45 97.015 -6.128 -8.444 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.448 -7.675 -9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 45 95.000 -8.354 -9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.612 -6.744 -8.464 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.696 -5.786 -10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.954 -7.419 -11.132 1.00 0.00 H new ATOM 0 HE2 LYS A 45 93.630 -7.816 -11.461 1.00 0.00 H new ATOM 0 HE3 LYS A 45 93.149 -6.630 -10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 92.886 -5.747 -12.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 94.067 -4.862 -11.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 94.532 -6.011 -12.846 1.00 0.00 H new ATOM 724 N SER A 46 98.688 -9.227 -6.719 1.00 0.00 N ATOM 725 CA SER A 46 100.114 -9.509 -6.372 1.00 0.00 C ATOM 726 C SER A 46 100.862 -10.004 -7.612 1.00 0.00 C ATOM 727 O SER A 46 100.545 -11.045 -8.159 1.00 0.00 O ATOM 728 CB SER A 46 100.054 -10.604 -5.308 1.00 0.00 C ATOM 729 OG SER A 46 99.542 -11.796 -5.890 1.00 0.00 O ATOM 0 H SER A 46 98.147 -10.042 -7.009 1.00 0.00 H new ATOM 0 HA SER A 46 100.639 -8.624 -6.012 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.048 -10.784 -4.898 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.420 -10.288 -4.480 1.00 0.00 H new ATOM 0 HG SER A 46 99.965 -11.942 -6.762 1.00 0.00 H new ATOM 735 N ILE A 47 101.850 -9.266 -8.057 1.00 0.00 N ATOM 736 CA ILE A 47 102.588 -9.657 -9.298 1.00 0.00 C ATOM 737 C ILE A 47 104.093 -9.648 -9.022 1.00 0.00 C ATOM 738 O ILE A 47 104.623 -8.698 -8.476 1.00 0.00 O ATOM 739 CB ILE A 47 102.216 -8.596 -10.348 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.697 -8.596 -10.574 1.00 0.00 C ATOM 741 CG2 ILE A 47 102.917 -8.910 -11.676 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.298 -7.364 -11.390 1.00 0.00 C ATOM 0 H ILE A 47 102.177 -8.408 -7.613 1.00 0.00 H new ATOM 0 HA ILE A 47 102.328 -10.659 -9.641 1.00 0.00 H new ATOM 0 HB ILE A 47 102.534 -7.618 -9.987 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.397 -9.504 -11.098 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.177 -8.594 -9.616 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.650 -8.155 -12.416 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.997 -8.906 -11.527 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.603 -9.892 -12.030 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.220 -7.366 -11.549 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.583 -6.462 -10.849 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.807 -7.385 -12.354 1.00 0.00 H new ATOM 754 N VAL A 48 104.782 -10.698 -9.395 1.00 0.00 N ATOM 755 CA VAL A 48 106.262 -10.739 -9.181 1.00 0.00 C ATOM 756 C VAL A 48 106.942 -9.785 -10.169 1.00 0.00 C ATOM 757 O VAL A 48 106.597 -9.739 -11.333 1.00 0.00 O ATOM 758 CB VAL A 48 106.696 -12.194 -9.434 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.187 -12.353 -9.104 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.864 -13.158 -8.568 1.00 0.00 C ATOM 0 H VAL A 48 104.385 -11.527 -9.837 1.00 0.00 H new ATOM 0 HA VAL A 48 106.541 -10.427 -8.175 1.00 0.00 H new ATOM 0 HB VAL A 48 106.530 -12.435 -10.484 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.492 -13.384 -9.284 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.773 -11.686 -9.736 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.357 -12.102 -8.057 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.182 -14.183 -8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.012 -12.921 -7.515 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.808 -13.053 -8.818 1.00 0.00 H new ATOM 770 N THR A 49 107.903 -9.028 -9.709 1.00 0.00 N ATOM 771 CA THR A 49 108.509 -7.954 -10.565 1.00 0.00 C ATOM 772 C THR A 49 109.184 -8.543 -11.808 1.00 0.00 C ATOM 773 O THR A 49 109.337 -7.871 -12.810 1.00 0.00 O ATOM 774 CB THR A 49 109.539 -7.245 -9.680 1.00 0.00 C ATOM 775 OG1 THR A 49 110.495 -8.190 -9.222 1.00 0.00 O ATOM 776 CG2 THR A 49 108.840 -6.599 -8.481 1.00 0.00 C ATOM 0 H THR A 49 108.299 -9.105 -8.772 1.00 0.00 H new ATOM 0 HA THR A 49 107.744 -7.267 -10.928 1.00 0.00 H new ATOM 0 HB THR A 49 110.039 -6.469 -10.260 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.123 -8.691 -8.466 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.579 -6.097 -7.856 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.109 -5.872 -8.834 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.334 -7.368 -7.897 1.00 0.00 H new ATOM 784 N LYS A 50 109.595 -9.788 -11.754 1.00 0.00 N ATOM 785 CA LYS A 50 110.345 -10.391 -12.906 1.00 0.00 C ATOM 786 C LYS A 50 109.526 -10.307 -14.201 1.00 0.00 C ATOM 787 O LYS A 50 110.077 -10.306 -15.286 1.00 0.00 O ATOM 788 CB LYS A 50 110.588 -11.853 -12.517 1.00 0.00 C ATOM 789 CG LYS A 50 111.552 -12.497 -13.517 1.00 0.00 C ATOM 790 CD LYS A 50 112.972 -11.988 -13.259 1.00 0.00 C ATOM 791 CE LYS A 50 113.947 -12.694 -14.203 1.00 0.00 C ATOM 792 NZ LYS A 50 113.834 -11.956 -15.492 1.00 0.00 N ATOM 0 H LYS A 50 109.444 -10.414 -10.963 1.00 0.00 H new ATOM 0 HA LYS A 50 111.278 -9.860 -13.095 1.00 0.00 H new ATOM 0 HB2 LYS A 50 111.002 -11.908 -11.510 1.00 0.00 H new ATOM 0 HB3 LYS A 50 109.644 -12.398 -12.504 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.520 -13.582 -13.421 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.248 -12.258 -14.536 1.00 0.00 H new ATOM 0 HD2 LYS A 50 113.017 -10.910 -13.413 1.00 0.00 H new ATOM 0 HD3 LYS A 50 113.254 -12.174 -12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 50 114.966 -12.660 -13.816 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.687 -13.745 -14.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 113.756 -12.636 -16.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 112.988 -11.351 -15.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 114.679 -11.365 -15.629 1.00 0.00 H new ATOM 806 N ASP A 51 108.221 -10.237 -14.094 1.00 0.00 N ATOM 807 CA ASP A 51 107.380 -10.061 -15.323 1.00 0.00 C ATOM 808 C ASP A 51 107.206 -8.572 -15.676 1.00 0.00 C ATOM 809 O ASP A 51 106.415 -8.231 -16.537 1.00 0.00 O ATOM 810 CB ASP A 51 106.025 -10.724 -15.011 1.00 0.00 C ATOM 811 CG ASP A 51 105.353 -10.074 -13.793 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.272 -8.857 -13.756 1.00 0.00 O ATOM 813 OD2 ASP A 51 104.929 -10.810 -12.918 1.00 0.00 O ATOM 0 H ASP A 51 107.704 -10.293 -13.217 1.00 0.00 H new ATOM 0 HA ASP A 51 107.853 -10.520 -16.191 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.369 -10.642 -15.878 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.173 -11.787 -14.823 1.00 0.00 H new ATOM 818 N ILE A 52 107.930 -7.684 -15.024 1.00 0.00 N ATOM 819 CA ILE A 52 107.880 -6.236 -15.420 1.00 0.00 C ATOM 820 C ILE A 52 108.750 -6.007 -16.660 1.00 0.00 C ATOM 821 O ILE A 52 109.961 -6.128 -16.608 1.00 0.00 O ATOM 822 CB ILE A 52 108.437 -5.454 -14.213 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.504 -5.648 -13.004 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.544 -3.954 -14.556 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.105 -4.965 -11.769 1.00 0.00 C ATOM 0 H ILE A 52 108.548 -7.899 -14.241 1.00 0.00 H new ATOM 0 HA ILE A 52 106.869 -5.913 -15.669 1.00 0.00 H new ATOM 0 HB ILE A 52 109.431 -5.830 -13.970 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.521 -5.229 -13.220 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.362 -6.711 -12.810 1.00 0.00 H new ATOM 0 HG21 ILE A 52 108.938 -3.412 -13.697 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.213 -3.822 -15.407 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.557 -3.567 -14.807 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.441 -5.105 -10.916 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.078 -5.404 -11.547 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.224 -3.899 -11.964 1.00 0.00 H new ATOM 837 N LYS A 53 108.138 -5.677 -17.770 1.00 0.00 N ATOM 838 CA LYS A 53 108.932 -5.261 -18.969 1.00 0.00 C ATOM 839 C LYS A 53 109.335 -3.788 -18.850 1.00 0.00 C ATOM 840 O LYS A 53 110.434 -3.411 -19.216 1.00 0.00 O ATOM 841 CB LYS A 53 108.009 -5.470 -20.170 1.00 0.00 C ATOM 842 CG LYS A 53 108.798 -5.262 -21.465 1.00 0.00 C ATOM 843 CD LYS A 53 107.877 -5.480 -22.668 1.00 0.00 C ATOM 844 CE LYS A 53 108.702 -5.439 -23.957 1.00 0.00 C ATOM 845 NZ LYS A 53 107.970 -6.321 -24.910 1.00 0.00 N ATOM 0 H LYS A 53 107.126 -5.677 -17.899 1.00 0.00 H new ATOM 0 HA LYS A 53 109.851 -5.838 -19.067 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.587 -6.475 -20.147 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.173 -4.772 -20.125 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.215 -4.255 -21.491 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.638 -5.956 -21.507 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.367 -6.440 -22.580 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.105 -4.711 -22.693 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.783 -4.422 -24.342 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.717 -5.797 -23.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.437 -6.291 -25.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.973 -7.297 -24.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 106.988 -5.991 -25.005 1.00 0.00 H new ATOM 859 N ASP A 54 108.455 -2.956 -18.342 1.00 0.00 N ATOM 860 CA ASP A 54 108.754 -1.483 -18.294 1.00 0.00 C ATOM 861 C ASP A 54 107.992 -0.809 -17.149 1.00 0.00 C ATOM 862 O ASP A 54 106.899 -1.211 -16.804 1.00 0.00 O ATOM 863 CB ASP A 54 108.280 -0.922 -19.638 1.00 0.00 C ATOM 864 CG ASP A 54 109.203 -1.408 -20.757 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.406 -1.276 -20.606 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.689 -1.904 -21.747 1.00 0.00 O ATOM 0 H ASP A 54 107.549 -3.228 -17.961 1.00 0.00 H new ATOM 0 HA ASP A 54 109.815 -1.300 -18.123 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.256 -1.240 -19.835 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.274 0.168 -19.606 1.00 0.00 H new ATOM 871 N LEU A 55 108.567 0.218 -16.566 1.00 0.00 N ATOM 872 CA LEU A 55 107.916 0.896 -15.401 1.00 0.00 C ATOM 873 C LEU A 55 107.814 2.407 -15.635 1.00 0.00 C ATOM 874 O LEU A 55 108.690 3.013 -16.225 1.00 0.00 O ATOM 875 CB LEU A 55 108.838 0.617 -14.213 1.00 0.00 C ATOM 876 CG LEU A 55 108.672 -0.832 -13.755 1.00 0.00 C ATOM 877 CD1 LEU A 55 109.952 -1.301 -13.059 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.499 -0.925 -12.774 1.00 0.00 C ATOM 0 H LEU A 55 109.462 0.616 -16.849 1.00 0.00 H new ATOM 0 HA LEU A 55 106.902 0.530 -15.240 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.875 0.802 -14.495 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.604 1.296 -13.393 1.00 0.00 H new ATOM 0 HG LEU A 55 108.477 -1.464 -14.621 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.831 -2.334 -12.733 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.789 -1.235 -13.754 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.148 -0.668 -12.193 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.379 -1.958 -12.447 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.696 -0.291 -11.910 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.585 -0.593 -13.267 1.00 0.00 H new ATOM 890 N ARG A 56 106.746 3.013 -15.175 1.00 0.00 N ATOM 891 CA ARG A 56 106.652 4.505 -15.187 1.00 0.00 C ATOM 892 C ARG A 56 105.856 4.984 -13.964 1.00 0.00 C ATOM 893 O ARG A 56 105.100 4.231 -13.377 1.00 0.00 O ATOM 894 CB ARG A 56 105.931 4.856 -16.502 1.00 0.00 C ATOM 895 CG ARG A 56 104.456 4.421 -16.448 1.00 0.00 C ATOM 896 CD ARG A 56 103.977 4.011 -17.844 1.00 0.00 C ATOM 897 NE ARG A 56 104.072 5.249 -18.684 1.00 0.00 N ATOM 898 CZ ARG A 56 104.061 5.190 -20.002 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.957 4.046 -20.639 1.00 0.00 N ATOM 900 NH2 ARG A 56 104.150 6.295 -20.690 1.00 0.00 N ATOM 0 H ARG A 56 105.932 2.535 -14.790 1.00 0.00 H new ATOM 0 HA ARG A 56 107.627 4.989 -15.135 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.992 5.930 -16.680 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.429 4.365 -17.338 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.340 3.587 -15.756 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.841 5.238 -16.069 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.597 3.212 -18.252 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.954 3.636 -17.813 1.00 0.00 H new ATOM 0 HE ARG A 56 104.147 6.157 -18.226 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.882 3.175 -20.114 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.951 4.029 -21.659 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.227 7.191 -20.208 1.00 0.00 H new ATOM 0 HH22 ARG A 56 104.143 6.263 -21.709 1.00 0.00 H new ATOM 914 N ILE A 57 106.021 6.225 -13.578 1.00 0.00 N ATOM 915 CA ILE A 57 105.219 6.776 -12.439 1.00 0.00 C ATOM 916 C ILE A 57 104.269 7.860 -12.963 1.00 0.00 C ATOM 917 O ILE A 57 104.677 8.762 -13.671 1.00 0.00 O ATOM 918 CB ILE A 57 106.242 7.366 -11.454 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.227 6.274 -11.008 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.507 7.911 -10.224 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.378 6.904 -10.217 1.00 0.00 C ATOM 0 H ILE A 57 106.676 6.882 -14.002 1.00 0.00 H new ATOM 0 HA ILE A 57 104.607 6.016 -11.953 1.00 0.00 H new ATOM 0 HB ILE A 57 106.790 8.170 -11.946 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.712 5.536 -10.393 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.618 5.747 -11.878 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.230 8.330 -9.524 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.808 8.689 -10.533 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.959 7.103 -9.740 1.00 0.00 H new ATOM 0 HD11 ILE A 57 109.073 6.125 -9.903 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.900 7.625 -10.846 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.981 7.411 -9.338 1.00 0.00 H new ATOM 933 N LEU A 58 103.008 7.772 -12.616 1.00 0.00 N ATOM 934 CA LEU A 58 102.000 8.719 -13.188 1.00 0.00 C ATOM 935 C LEU A 58 101.840 9.941 -12.264 1.00 0.00 C ATOM 936 O LEU A 58 101.628 9.775 -11.077 1.00 0.00 O ATOM 937 CB LEU A 58 100.686 7.928 -13.253 1.00 0.00 C ATOM 938 CG LEU A 58 100.852 6.688 -14.142 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.675 5.738 -13.916 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.894 7.107 -15.613 1.00 0.00 C ATOM 0 H LEU A 58 102.633 7.085 -11.961 1.00 0.00 H new ATOM 0 HA LEU A 58 102.299 9.089 -14.169 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.386 7.626 -12.250 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.891 8.562 -13.647 1.00 0.00 H new ATOM 0 HG LEU A 58 101.783 6.183 -13.885 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.792 4.857 -14.547 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.649 5.434 -12.870 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.744 6.245 -14.170 1.00 0.00 H new ATOM 0 HD21 LEU A 58 101.012 6.223 -16.240 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.965 7.615 -15.873 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.735 7.782 -15.775 1.00 0.00 H new ATOM 952 N PRO A 59 101.944 11.136 -12.825 1.00 0.00 N ATOM 953 CA PRO A 59 101.777 12.368 -12.006 1.00 0.00 C ATOM 954 C PRO A 59 100.322 12.508 -11.547 1.00 0.00 C ATOM 955 O PRO A 59 99.421 11.939 -12.139 1.00 0.00 O ATOM 956 CB PRO A 59 102.160 13.502 -12.958 1.00 0.00 C ATOM 957 CG PRO A 59 101.990 12.939 -14.332 1.00 0.00 C ATOM 958 CD PRO A 59 102.222 11.455 -14.237 1.00 0.00 C ATOM 0 HA PRO A 59 102.385 12.362 -11.102 1.00 0.00 H new ATOM 0 HB2 PRO A 59 101.522 14.373 -12.808 1.00 0.00 H new ATOM 0 HB3 PRO A 59 103.187 13.826 -12.790 1.00 0.00 H new ATOM 0 HG2 PRO A 59 100.990 13.148 -14.713 1.00 0.00 H new ATOM 0 HG3 PRO A 59 102.697 13.395 -15.025 1.00 0.00 H new ATOM 0 HD2 PRO A 59 101.562 10.905 -14.907 1.00 0.00 H new ATOM 0 HD3 PRO A 59 103.244 11.193 -14.511 1.00 0.00 H new ATOM 966 N LYS A 60 100.089 13.259 -10.499 1.00 0.00 N ATOM 967 CA LYS A 60 98.691 13.450 -10.000 1.00 0.00 C ATOM 968 C LYS A 60 98.028 14.623 -10.727 1.00 0.00 C ATOM 969 O LYS A 60 98.533 15.731 -10.723 1.00 0.00 O ATOM 970 CB LYS A 60 98.833 13.758 -8.506 1.00 0.00 C ATOM 971 CG LYS A 60 99.371 12.524 -7.777 1.00 0.00 C ATOM 972 CD LYS A 60 99.407 12.795 -6.272 1.00 0.00 C ATOM 973 CE LYS A 60 100.059 11.611 -5.555 1.00 0.00 C ATOM 974 NZ LYS A 60 98.975 10.598 -5.422 1.00 0.00 N ATOM 0 H LYS A 60 100.808 13.749 -9.966 1.00 0.00 H new ATOM 0 HA LYS A 60 98.070 12.572 -10.175 1.00 0.00 H new ATOM 0 HB2 LYS A 60 99.508 14.602 -8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 60 97.868 14.046 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 60 98.739 11.661 -7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 60 100.371 12.283 -8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 60 99.966 13.709 -6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 60 98.396 12.950 -5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 60 100.899 11.217 -6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 60 100.447 11.905 -4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 98.674 10.540 -4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 98.166 10.876 -6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 99.327 9.670 -5.732 1.00 0.00 H new ATOM 988 N ASN A 61 96.900 14.383 -11.352 1.00 0.00 N ATOM 989 CA ASN A 61 96.206 15.472 -12.110 1.00 0.00 C ATOM 990 C ASN A 61 95.284 16.264 -11.179 1.00 0.00 C ATOM 991 O ASN A 61 95.117 17.460 -11.334 1.00 0.00 O ATOM 992 CB ASN A 61 95.392 14.755 -13.190 1.00 0.00 C ATOM 993 CG ASN A 61 96.339 14.097 -14.195 1.00 0.00 C ATOM 994 OD1 ASN A 61 96.227 12.919 -14.472 1.00 0.00 O ATOM 995 ND2 ASN A 61 97.273 14.814 -14.759 1.00 0.00 N ATOM 0 H ASN A 61 96.429 13.478 -11.370 1.00 0.00 H new ATOM 0 HA ASN A 61 96.910 16.185 -12.539 1.00 0.00 H new ATOM 0 HB2 ASN A 61 94.749 14.002 -12.735 1.00 0.00 H new ATOM 0 HB3 ASN A 61 94.741 15.465 -13.700 1.00 0.00 H new ATOM 0 HD21 ASN A 61 97.908 14.385 -15.432 1.00 0.00 H new ATOM 0 HD22 ASN A 61 97.367 15.803 -14.527 1.00 0.00 H new ATOM 1002 N GLU A 62 94.686 15.603 -10.217 1.00 0.00 N ATOM 1003 CA GLU A 62 93.743 16.302 -9.290 1.00 0.00 C ATOM 1004 C GLU A 62 94.366 16.434 -7.898 1.00 0.00 C ATOM 1005 O GLU A 62 94.974 15.508 -7.392 1.00 0.00 O ATOM 1006 CB GLU A 62 92.501 15.410 -9.238 1.00 0.00 C ATOM 1007 CG GLU A 62 91.813 15.405 -10.606 1.00 0.00 C ATOM 1008 CD GLU A 62 90.517 14.592 -10.535 1.00 0.00 C ATOM 1009 OE1 GLU A 62 90.501 13.590 -9.837 1.00 0.00 O ATOM 1010 OE2 GLU A 62 89.559 14.985 -11.180 1.00 0.00 O ATOM 0 H GLU A 62 94.811 14.607 -10.034 1.00 0.00 H new ATOM 0 HA GLU A 62 93.507 17.311 -9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 62 92.782 14.395 -8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 62 91.812 15.773 -8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 62 91.595 16.427 -10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 62 92.479 14.979 -11.356 1.00 0.00 H new ATOM 1017 N ILE A 63 94.217 17.581 -7.278 1.00 0.00 N ATOM 1018 CA ILE A 63 94.769 17.782 -5.900 1.00 0.00 C ATOM 1019 C ILE A 63 93.641 18.208 -4.952 1.00 0.00 C ATOM 1020 O ILE A 63 92.842 19.068 -5.276 1.00 0.00 O ATOM 1021 CB ILE A 63 95.821 18.897 -6.041 1.00 0.00 C ATOM 1022 CG1 ILE A 63 96.914 18.461 -7.026 1.00 0.00 C ATOM 1023 CG2 ILE A 63 96.463 19.179 -4.677 1.00 0.00 C ATOM 1024 CD1 ILE A 63 97.788 19.664 -7.388 1.00 0.00 C ATOM 0 H ILE A 63 93.735 18.390 -7.669 1.00 0.00 H new ATOM 0 HA ILE A 63 95.209 16.874 -5.488 1.00 0.00 H new ATOM 0 HB ILE A 63 95.332 19.798 -6.412 1.00 0.00 H new ATOM 0 HG12 ILE A 63 97.525 17.675 -6.582 1.00 0.00 H new ATOM 0 HG13 ILE A 63 96.462 18.043 -7.926 1.00 0.00 H new ATOM 0 HG21 ILE A 63 97.207 19.969 -4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 63 95.695 19.495 -3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 63 96.944 18.274 -4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 63 98.564 19.353 -8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 63 97.172 20.436 -7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 63 98.252 20.062 -6.485 1.00 0.00 H new ATOM 1036 N MET A 64 93.576 17.612 -3.786 1.00 0.00 N ATOM 1037 CA MET A 64 92.507 17.978 -2.807 1.00 0.00 C ATOM 1038 C MET A 64 93.082 18.904 -1.718 1.00 0.00 C ATOM 1039 O MET A 64 93.958 18.495 -0.981 1.00 0.00 O ATOM 1040 CB MET A 64 92.065 16.648 -2.196 1.00 0.00 C ATOM 1041 CG MET A 64 90.656 16.795 -1.618 1.00 0.00 C ATOM 1042 SD MET A 64 90.007 15.161 -1.189 1.00 0.00 S ATOM 1043 CE MET A 64 88.988 15.683 0.213 1.00 0.00 C ATOM 0 H MET A 64 94.219 16.886 -3.470 1.00 0.00 H new ATOM 0 HA MET A 64 91.679 18.510 -3.275 1.00 0.00 H new ATOM 0 HB2 MET A 64 92.079 15.865 -2.954 1.00 0.00 H new ATOM 0 HB3 MET A 64 92.761 16.346 -1.413 1.00 0.00 H new ATOM 0 HG2 MET A 64 90.679 17.433 -0.734 1.00 0.00 H new ATOM 0 HG3 MET A 64 90.002 17.279 -2.344 1.00 0.00 H new ATOM 0 HE1 MET A 64 88.326 14.868 0.505 1.00 0.00 H new ATOM 0 HE2 MET A 64 89.632 15.946 1.052 1.00 0.00 H new ATOM 0 HE3 MET A 64 88.392 16.550 -0.073 1.00 0.00 H new ATOM 1053 N PRO A 65 92.576 20.125 -1.640 1.00 0.00 N ATOM 1054 CA PRO A 65 93.065 21.076 -0.606 1.00 0.00 C ATOM 1055 C PRO A 65 92.628 20.618 0.790 1.00 0.00 C ATOM 1056 O PRO A 65 93.340 20.800 1.760 1.00 0.00 O ATOM 1057 CB PRO A 65 92.401 22.402 -0.977 1.00 0.00 C ATOM 1058 CG PRO A 65 91.209 22.031 -1.800 1.00 0.00 C ATOM 1059 CD PRO A 65 91.530 20.730 -2.484 1.00 0.00 C ATOM 0 HA PRO A 65 94.152 21.149 -0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 65 92.106 22.957 -0.086 1.00 0.00 H new ATOM 0 HB3 PRO A 65 93.083 23.040 -1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 65 90.324 21.928 -1.172 1.00 0.00 H new ATOM 0 HG3 PRO A 65 90.990 22.808 -2.533 1.00 0.00 H new ATOM 0 HD2 PRO A 65 90.652 20.088 -2.551 1.00 0.00 H new ATOM 0 HD3 PRO A 65 91.884 20.892 -3.502 1.00 0.00 H new ATOM 1067 N LYS A 66 91.461 20.026 0.892 1.00 0.00 N ATOM 1068 CA LYS A 66 90.947 19.583 2.231 1.00 0.00 C ATOM 1069 C LYS A 66 91.835 18.475 2.807 1.00 0.00 C ATOM 1070 O LYS A 66 92.079 18.422 3.997 1.00 0.00 O ATOM 1071 CB LYS A 66 89.533 19.054 1.973 1.00 0.00 C ATOM 1072 CG LYS A 66 88.627 20.208 1.536 1.00 0.00 C ATOM 1073 CD LYS A 66 87.190 19.703 1.393 1.00 0.00 C ATOM 1074 CE LYS A 66 86.305 20.826 0.846 1.00 0.00 C ATOM 1075 NZ LYS A 66 84.934 20.507 1.334 1.00 0.00 N ATOM 0 H LYS A 66 90.841 19.830 0.106 1.00 0.00 H new ATOM 0 HA LYS A 66 90.948 20.399 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 66 89.557 18.284 1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 66 89.137 18.589 2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 66 88.669 21.015 2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 66 88.975 20.619 0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 66 87.160 18.844 0.723 1.00 0.00 H new ATOM 0 HD3 LYS A 66 86.814 19.367 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 66 86.636 21.800 1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 66 86.339 20.860 -0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 84.269 21.233 0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 84.644 19.577 0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 84.931 20.488 2.374 1.00 0.00 H new ATOM 1089 N ASN A 67 92.319 17.586 1.963 1.00 0.00 N ATOM 1090 CA ASN A 67 93.186 16.448 2.435 1.00 0.00 C ATOM 1091 C ASN A 67 92.516 15.684 3.587 1.00 0.00 C ATOM 1092 O ASN A 67 91.376 15.942 3.931 1.00 0.00 O ATOM 1093 CB ASN A 67 94.494 17.094 2.909 1.00 0.00 C ATOM 1094 CG ASN A 67 95.221 17.713 1.714 1.00 0.00 C ATOM 1095 OD1 ASN A 67 95.319 17.104 0.666 1.00 0.00 O ATOM 1096 ND2 ASN A 67 95.739 18.905 1.826 1.00 0.00 N ATOM 0 H ASN A 67 92.149 17.600 0.957 1.00 0.00 H new ATOM 0 HA ASN A 67 93.356 15.723 1.639 1.00 0.00 H new ATOM 0 HB2 ASN A 67 94.284 17.859 3.656 1.00 0.00 H new ATOM 0 HB3 ASN A 67 95.128 16.347 3.387 1.00 0.00 H new ATOM 0 HD21 ASN A 67 96.226 19.326 1.035 1.00 0.00 H new ATOM 0 HD22 ASN A 67 95.657 19.416 2.705 1.00 0.00 H new ATOM 1103 N GLY A 68 93.220 14.750 4.180 1.00 0.00 N ATOM 1104 CA GLY A 68 92.644 13.972 5.318 1.00 0.00 C ATOM 1105 C GLY A 68 93.177 14.530 6.639 1.00 0.00 C ATOM 1106 O GLY A 68 94.080 13.972 7.237 1.00 0.00 O ATOM 0 H GLY A 68 94.173 14.493 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 68 91.556 14.031 5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 68 92.908 12.919 5.223 1.00 0.00 H new ATOM 1110 N THR A 69 92.624 15.628 7.096 1.00 0.00 N ATOM 1111 CA THR A 69 93.103 16.242 8.377 1.00 0.00 C ATOM 1112 C THR A 69 92.720 15.354 9.565 1.00 0.00 C ATOM 1113 O THR A 69 93.441 15.272 10.543 1.00 0.00 O ATOM 1114 CB THR A 69 92.395 17.597 8.473 1.00 0.00 C ATOM 1115 OG1 THR A 69 90.992 17.405 8.369 1.00 0.00 O ATOM 1116 CG2 THR A 69 92.874 18.511 7.342 1.00 0.00 C ATOM 0 H THR A 69 91.861 16.126 6.638 1.00 0.00 H new ATOM 0 HA THR A 69 94.187 16.352 8.394 1.00 0.00 H new ATOM 0 HB THR A 69 92.628 18.060 9.432 1.00 0.00 H new ATOM 0 HG1 THR A 69 90.538 18.271 8.432 1.00 0.00 H new ATOM 0 HG21 THR A 69 92.368 19.474 7.413 1.00 0.00 H new ATOM 0 HG22 THR A 69 93.951 18.659 7.425 1.00 0.00 H new ATOM 0 HG23 THR A 69 92.645 18.051 6.381 1.00 0.00 H new ATOM 1124 N LYS A 70 91.590 14.692 9.485 1.00 0.00 N ATOM 1125 CA LYS A 70 91.148 13.808 10.606 1.00 0.00 C ATOM 1126 C LYS A 70 91.394 12.339 10.252 1.00 0.00 C ATOM 1127 O LYS A 70 91.215 11.928 9.119 1.00 0.00 O ATOM 1128 CB LYS A 70 89.650 14.079 10.760 1.00 0.00 C ATOM 1129 CG LYS A 70 89.436 15.509 11.260 1.00 0.00 C ATOM 1130 CD LYS A 70 87.947 15.739 11.530 1.00 0.00 C ATOM 1131 CE LYS A 70 87.720 17.200 11.926 1.00 0.00 C ATOM 1132 NZ LYS A 70 88.099 17.271 13.364 1.00 0.00 N ATOM 0 H LYS A 70 90.954 14.727 8.688 1.00 0.00 H new ATOM 0 HA LYS A 70 91.695 14.008 11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 70 89.144 13.938 9.805 1.00 0.00 H new ATOM 0 HB3 LYS A 70 89.212 13.368 11.461 1.00 0.00 H new ATOM 0 HG2 LYS A 70 90.012 15.677 12.170 1.00 0.00 H new ATOM 0 HG3 LYS A 70 89.796 16.222 10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 70 87.364 15.497 10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 70 87.604 15.078 12.326 1.00 0.00 H new ATOM 0 HE2 LYS A 70 88.331 17.872 11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 70 86.681 17.493 11.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 87.326 17.709 13.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 88.274 16.311 13.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 88.962 17.842 13.468 1.00 0.00 H new ATOM 1146 N SER A 71 91.803 11.549 11.215 1.00 0.00 N ATOM 1147 CA SER A 71 92.054 10.098 10.953 1.00 0.00 C ATOM 1148 C SER A 71 91.273 9.234 11.962 1.00 0.00 C ATOM 1149 O SER A 71 91.815 8.829 12.973 1.00 0.00 O ATOM 1150 CB SER A 71 93.563 9.920 11.135 1.00 0.00 C ATOM 1151 OG SER A 71 93.979 8.737 10.464 1.00 0.00 O ATOM 0 H SER A 71 91.974 11.849 12.175 1.00 0.00 H new ATOM 0 HA SER A 71 91.728 9.791 9.959 1.00 0.00 H new ATOM 0 HB2 SER A 71 94.094 10.784 10.736 1.00 0.00 H new ATOM 0 HB3 SER A 71 93.808 9.856 12.195 1.00 0.00 H new ATOM 0 HG SER A 71 94.945 8.620 10.577 1.00 0.00 H new ATOM 1157 N PRO A 72 90.012 8.979 11.656 1.00 0.00 N ATOM 1158 CA PRO A 72 89.159 8.158 12.562 1.00 0.00 C ATOM 1159 C PRO A 72 89.731 6.741 12.714 1.00 0.00 C ATOM 1160 O PRO A 72 89.586 6.115 13.747 1.00 0.00 O ATOM 1161 CB PRO A 72 87.794 8.123 11.865 1.00 0.00 C ATOM 1162 CG PRO A 72 87.832 9.215 10.843 1.00 0.00 C ATOM 1163 CD PRO A 72 89.272 9.418 10.464 1.00 0.00 C ATOM 0 HA PRO A 72 89.102 8.571 13.569 1.00 0.00 H new ATOM 0 HB2 PRO A 72 87.619 7.155 11.397 1.00 0.00 H new ATOM 0 HB3 PRO A 72 86.986 8.283 12.579 1.00 0.00 H new ATOM 0 HG2 PRO A 72 87.238 8.945 9.969 1.00 0.00 H new ATOM 0 HG3 PRO A 72 87.407 10.134 11.246 1.00 0.00 H new ATOM 0 HD2 PRO A 72 89.542 8.830 9.586 1.00 0.00 H new ATOM 0 HD3 PRO A 72 89.480 10.461 10.225 1.00 0.00 H new ATOM 1171 N SER A 73 90.382 6.235 11.686 1.00 0.00 N ATOM 1172 CA SER A 73 90.973 4.852 11.737 1.00 0.00 C ATOM 1173 C SER A 73 89.922 3.819 12.170 1.00 0.00 C ATOM 1174 O SER A 73 89.704 3.601 13.348 1.00 0.00 O ATOM 1175 CB SER A 73 92.109 4.925 12.762 1.00 0.00 C ATOM 1176 OG SER A 73 93.253 5.510 12.152 1.00 0.00 O ATOM 0 H SER A 73 90.530 6.727 10.805 1.00 0.00 H new ATOM 0 HA SER A 73 91.331 4.538 10.757 1.00 0.00 H new ATOM 0 HB2 SER A 73 91.800 5.516 13.624 1.00 0.00 H new ATOM 0 HB3 SER A 73 92.348 3.927 13.129 1.00 0.00 H new ATOM 0 HG SER A 73 93.982 5.560 12.805 1.00 0.00 H new ATOM 1182 N THR A 74 89.273 3.187 11.221 1.00 0.00 N ATOM 1183 CA THR A 74 88.229 2.171 11.561 1.00 0.00 C ATOM 1184 C THR A 74 88.603 0.812 10.961 1.00 0.00 C ATOM 1185 O THR A 74 89.141 0.732 9.872 1.00 0.00 O ATOM 1186 CB THR A 74 86.942 2.701 10.928 1.00 0.00 C ATOM 1187 OG1 THR A 74 86.747 4.054 11.319 1.00 0.00 O ATOM 1188 CG2 THR A 74 85.753 1.858 11.395 1.00 0.00 C ATOM 0 H THR A 74 89.423 3.332 10.223 1.00 0.00 H new ATOM 0 HA THR A 74 88.125 2.027 12.636 1.00 0.00 H new ATOM 0 HB THR A 74 87.021 2.642 9.842 1.00 0.00 H new ATOM 0 HG1 THR A 74 85.923 4.396 10.913 1.00 0.00 H new ATOM 0 HG21 THR A 74 84.837 2.238 10.942 1.00 0.00 H new ATOM 0 HG22 THR A 74 85.902 0.821 11.095 1.00 0.00 H new ATOM 0 HG23 THR A 74 85.671 1.914 12.480 1.00 0.00 H new ATOM 1196 N ASN A 75 88.316 -0.262 11.670 1.00 0.00 N ATOM 1197 CA ASN A 75 88.661 -1.643 11.178 1.00 0.00 C ATOM 1198 C ASN A 75 90.169 -1.772 10.919 1.00 0.00 C ATOM 1199 O ASN A 75 90.890 -0.792 10.895 1.00 0.00 O ATOM 1200 CB ASN A 75 87.870 -1.835 9.877 1.00 0.00 C ATOM 1201 CG ASN A 75 87.860 -3.317 9.497 1.00 0.00 C ATOM 1202 OD1 ASN A 75 88.540 -3.724 8.577 1.00 0.00 O ATOM 1203 ND2 ASN A 75 87.112 -4.146 10.172 1.00 0.00 N ATOM 0 H ASN A 75 87.852 -0.240 12.578 1.00 0.00 H new ATOM 0 HA ASN A 75 88.406 -2.402 11.918 1.00 0.00 H new ATOM 0 HB2 ASN A 75 86.849 -1.475 10.004 1.00 0.00 H new ATOM 0 HB3 ASN A 75 88.319 -1.247 9.076 1.00 0.00 H new ATOM 0 HD21 ASN A 75 87.098 -5.136 9.927 1.00 0.00 H new ATOM 0 HD22 ASN A 75 86.541 -3.804 10.945 1.00 0.00 H new ATOM 1210 N SER A 76 90.644 -2.980 10.727 1.00 0.00 N ATOM 1211 CA SER A 76 92.102 -3.190 10.471 1.00 0.00 C ATOM 1212 C SER A 76 92.315 -3.758 9.065 1.00 0.00 C ATOM 1213 O SER A 76 91.466 -4.449 8.532 1.00 0.00 O ATOM 1214 CB SER A 76 92.548 -4.199 11.528 1.00 0.00 C ATOM 1215 OG SER A 76 92.279 -3.673 12.821 1.00 0.00 O ATOM 0 H SER A 76 90.082 -3.831 10.737 1.00 0.00 H new ATOM 0 HA SER A 76 92.669 -2.261 10.528 1.00 0.00 H new ATOM 0 HB2 SER A 76 92.022 -5.144 11.390 1.00 0.00 H new ATOM 0 HB3 SER A 76 93.612 -4.408 11.422 1.00 0.00 H new ATOM 0 HG SER A 76 92.562 -4.318 13.502 1.00 0.00 H new ATOM 1221 N THR A 77 93.445 -3.469 8.464 1.00 0.00 N ATOM 1222 CA THR A 77 93.724 -3.985 7.087 1.00 0.00 C ATOM 1223 C THR A 77 94.287 -5.407 7.162 1.00 0.00 C ATOM 1224 O THR A 77 95.044 -5.736 8.055 1.00 0.00 O ATOM 1225 CB THR A 77 94.764 -3.025 6.500 1.00 0.00 C ATOM 1226 OG1 THR A 77 94.318 -1.687 6.667 1.00 0.00 O ATOM 1227 CG2 THR A 77 94.951 -3.320 5.011 1.00 0.00 C ATOM 0 H THR A 77 94.187 -2.897 8.869 1.00 0.00 H new ATOM 0 HA THR A 77 92.824 -4.030 6.474 1.00 0.00 H new ATOM 0 HB THR A 77 95.715 -3.159 7.016 1.00 0.00 H new ATOM 0 HG1 THR A 77 94.983 -1.072 6.294 1.00 0.00 H new ATOM 0 HG21 THR A 77 95.691 -2.636 4.595 1.00 0.00 H new ATOM 0 HG22 THR A 77 95.294 -4.347 4.884 1.00 0.00 H new ATOM 0 HG23 THR A 77 94.002 -3.187 4.492 1.00 0.00 H new ATOM 1235 N LYS A 78 93.920 -6.250 6.224 1.00 0.00 N ATOM 1236 CA LYS A 78 94.414 -7.668 6.237 1.00 0.00 C ATOM 1237 C LYS A 78 95.940 -7.705 6.079 1.00 0.00 C ATOM 1238 O LYS A 78 96.611 -8.526 6.677 1.00 0.00 O ATOM 1239 CB LYS A 78 93.740 -8.348 5.042 1.00 0.00 C ATOM 1240 CG LYS A 78 92.229 -8.423 5.280 1.00 0.00 C ATOM 1241 CD LYS A 78 91.588 -9.332 4.230 1.00 0.00 C ATOM 1242 CE LYS A 78 91.582 -8.624 2.873 1.00 0.00 C ATOM 1243 NZ LYS A 78 90.390 -7.731 2.911 1.00 0.00 N ATOM 0 H LYS A 78 93.299 -6.018 5.449 1.00 0.00 H new ATOM 0 HA LYS A 78 94.177 -8.169 7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 78 93.947 -7.790 4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 78 94.147 -9.350 4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 78 92.027 -8.807 6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 78 91.793 -7.426 5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 78 92.140 -10.269 4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 78 90.569 -9.583 4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 78 92.498 -8.053 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 78 91.513 -9.340 2.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 90.025 -7.599 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 89.653 -8.161 3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 90.660 -6.809 3.309 1.00 0.00 H new ATOM 1257 N LEU A 79 96.484 -6.820 5.280 1.00 0.00 N ATOM 1258 CA LEU A 79 97.967 -6.781 5.089 1.00 0.00 C ATOM 1259 C LEU A 79 98.567 -5.606 5.866 1.00 0.00 C ATOM 1260 O LEU A 79 98.119 -4.481 5.747 1.00 0.00 O ATOM 1261 CB LEU A 79 98.172 -6.590 3.584 1.00 0.00 C ATOM 1262 CG LEU A 79 97.658 -7.819 2.830 1.00 0.00 C ATOM 1263 CD1 LEU A 79 97.610 -7.517 1.332 1.00 0.00 C ATOM 1264 CD2 LEU A 79 98.599 -9.002 3.079 1.00 0.00 C ATOM 0 H LEU A 79 95.963 -6.121 4.750 1.00 0.00 H new ATOM 0 HA LEU A 79 98.454 -7.686 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 79 97.644 -5.698 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 79 99.229 -6.436 3.368 1.00 0.00 H new ATOM 0 HG LEU A 79 96.657 -8.068 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 79 97.244 -8.393 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 79 96.941 -6.675 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 79 98.611 -7.267 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 79 98.233 -9.877 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 79 99.599 -8.752 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 79 98.635 -9.220 4.146 1.00 0.00 H new ATOM 1276 N LYS A 80 99.579 -5.864 6.660 1.00 0.00 N ATOM 1277 CA LYS A 80 100.219 -4.772 7.453 1.00 0.00 C ATOM 1278 C LYS A 80 101.742 -4.937 7.447 1.00 0.00 C ATOM 1279 O LYS A 80 102.252 -6.042 7.466 1.00 0.00 O ATOM 1280 CB LYS A 80 99.665 -4.934 8.869 1.00 0.00 C ATOM 1281 CG LYS A 80 99.972 -3.678 9.687 1.00 0.00 C ATOM 1282 CD LYS A 80 99.480 -3.869 11.123 1.00 0.00 C ATOM 1283 CE LYS A 80 99.643 -2.559 11.897 1.00 0.00 C ATOM 1284 NZ LYS A 80 98.458 -1.740 11.520 1.00 0.00 N ATOM 0 H LYS A 80 99.989 -6.789 6.792 1.00 0.00 H new ATOM 0 HA LYS A 80 100.006 -3.784 7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 80 98.589 -5.102 8.832 1.00 0.00 H new ATOM 0 HB3 LYS A 80 100.108 -5.808 9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 80 101.044 -3.481 9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 80 99.487 -2.811 9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 80 98.434 -4.176 11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 80 100.045 -4.664 11.610 1.00 0.00 H new ATOM 0 HE2 LYS A 80 99.674 -2.737 12.972 1.00 0.00 H new ATOM 0 HE3 LYS A 80 100.572 -2.056 11.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 98.761 -0.767 11.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 98.006 -2.150 10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 97.779 -1.730 12.307 1.00 0.00 H new ATOM 1298 N SER A 81 102.468 -3.844 7.420 1.00 0.00 N ATOM 1299 CA SER A 81 103.967 -3.925 7.394 1.00 0.00 C ATOM 1300 C SER A 81 104.491 -4.583 8.677 1.00 0.00 C ATOM 1301 O SER A 81 105.474 -5.300 8.657 1.00 0.00 O ATOM 1302 CB SER A 81 104.452 -2.477 7.302 1.00 0.00 C ATOM 1303 OG SER A 81 105.862 -2.464 7.117 1.00 0.00 O ATOM 0 H SER A 81 102.088 -2.897 7.415 1.00 0.00 H new ATOM 0 HA SER A 81 104.325 -4.527 6.559 1.00 0.00 H new ATOM 0 HB2 SER A 81 103.960 -1.969 6.473 1.00 0.00 H new ATOM 0 HB3 SER A 81 104.188 -1.935 8.210 1.00 0.00 H new ATOM 0 HG SER A 81 106.175 -1.537 7.056 1.00 0.00 H new ATOM 1309 N ALA A 82 103.837 -4.340 9.788 1.00 0.00 N ATOM 1310 CA ALA A 82 104.276 -4.963 11.080 1.00 0.00 C ATOM 1311 C ALA A 82 104.084 -6.483 11.033 1.00 0.00 C ATOM 1312 O ALA A 82 104.826 -7.228 11.646 1.00 0.00 O ATOM 1313 CB ALA A 82 103.380 -4.345 12.156 1.00 0.00 C ATOM 0 H ALA A 82 103.017 -3.737 9.857 1.00 0.00 H new ATOM 0 HA ALA A 82 105.332 -4.781 11.279 1.00 0.00 H new ATOM 0 HB1 ALA A 82 103.645 -4.756 13.130 1.00 0.00 H new ATOM 0 HB2 ALA A 82 103.518 -3.264 12.168 1.00 0.00 H new ATOM 0 HB3 ALA A 82 102.337 -4.575 11.937 1.00 0.00 H new ATOM 1319 N GLU A 83 103.087 -6.948 10.306 1.00 0.00 N ATOM 1320 CA GLU A 83 102.822 -8.427 10.192 1.00 0.00 C ATOM 1321 C GLU A 83 102.716 -9.076 11.580 1.00 0.00 C ATOM 1322 O GLU A 83 102.670 -8.395 12.588 1.00 0.00 O ATOM 1323 CB GLU A 83 104.015 -9.001 9.418 1.00 0.00 C ATOM 1324 CG GLU A 83 104.014 -8.449 7.990 1.00 0.00 C ATOM 1325 CD GLU A 83 105.145 -9.094 7.181 1.00 0.00 C ATOM 1326 OE1 GLU A 83 106.201 -9.327 7.748 1.00 0.00 O ATOM 1327 OE2 GLU A 83 104.934 -9.345 6.006 1.00 0.00 O ATOM 0 H GLU A 83 102.439 -6.360 9.782 1.00 0.00 H new ATOM 0 HA GLU A 83 101.877 -8.624 9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 83 104.947 -8.739 9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 83 103.959 -10.089 9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 83 103.054 -8.650 7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 83 104.140 -7.367 8.009 1.00 0.00 H new ATOM 1334 N THR A 84 102.679 -10.386 11.630 1.00 0.00 N ATOM 1335 CA THR A 84 102.563 -11.091 12.945 1.00 0.00 C ATOM 1336 C THR A 84 103.952 -11.300 13.557 1.00 0.00 C ATOM 1337 O THR A 84 104.912 -11.563 12.857 1.00 0.00 O ATOM 1338 CB THR A 84 101.910 -12.437 12.624 1.00 0.00 C ATOM 1339 OG1 THR A 84 100.744 -12.221 11.842 1.00 0.00 O ATOM 1340 CG2 THR A 84 101.528 -13.146 13.925 1.00 0.00 C ATOM 0 H THR A 84 102.724 -10.998 10.815 1.00 0.00 H new ATOM 0 HA THR A 84 101.979 -10.520 13.667 1.00 0.00 H new ATOM 0 HB THR A 84 102.613 -13.057 12.068 1.00 0.00 H new ATOM 0 HG1 THR A 84 100.325 -13.082 11.634 1.00 0.00 H new ATOM 0 HG21 THR A 84 101.063 -14.104 13.694 1.00 0.00 H new ATOM 0 HG22 THR A 84 102.423 -13.312 14.525 1.00 0.00 H new ATOM 0 HG23 THR A 84 100.826 -12.527 14.484 1.00 0.00 H new ATOM 1348 N TYR A 85 104.060 -11.181 14.858 1.00 0.00 N ATOM 1349 CA TYR A 85 105.382 -11.365 15.530 1.00 0.00 C ATOM 1350 C TYR A 85 105.510 -12.794 16.064 1.00 0.00 C ATOM 1351 O TYR A 85 104.611 -13.306 16.707 1.00 0.00 O ATOM 1352 CB TYR A 85 105.384 -10.358 16.681 1.00 0.00 C ATOM 1353 CG TYR A 85 106.682 -10.324 17.454 1.00 0.00 C ATOM 1354 CD1 TYR A 85 107.764 -9.540 16.984 1.00 0.00 C ATOM 1355 CD2 TYR A 85 106.816 -11.075 18.647 1.00 0.00 C ATOM 1356 CE1 TYR A 85 108.981 -9.508 17.709 1.00 0.00 C ATOM 1357 CE2 TYR A 85 108.032 -11.043 19.371 1.00 0.00 C ATOM 1358 CZ TYR A 85 109.116 -10.259 18.902 1.00 0.00 C ATOM 1359 OH TYR A 85 110.301 -10.228 19.607 1.00 0.00 O ATOM 0 H TYR A 85 103.285 -10.963 15.485 1.00 0.00 H new ATOM 0 HA TYR A 85 106.218 -11.206 14.849 1.00 0.00 H new ATOM 0 HB2 TYR A 85 105.182 -9.364 16.283 1.00 0.00 H new ATOM 0 HB3 TYR A 85 104.570 -10.599 17.365 1.00 0.00 H new ATOM 0 HD1 TYR A 85 107.662 -8.967 16.074 1.00 0.00 H new ATOM 0 HD2 TYR A 85 105.990 -11.672 19.005 1.00 0.00 H new ATOM 0 HE1 TYR A 85 109.806 -8.910 17.351 1.00 0.00 H new ATOM 0 HE2 TYR A 85 108.134 -11.616 20.281 1.00 0.00 H new ATOM 0 HH TYR A 85 110.224 -10.798 20.401 1.00 0.00 H new ATOM 1369 N SER A 86 106.621 -13.438 15.800 1.00 0.00 N ATOM 1370 CA SER A 86 106.823 -14.836 16.287 1.00 0.00 C ATOM 1371 C SER A 86 108.225 -14.994 16.881 1.00 0.00 C ATOM 1372 O SER A 86 108.381 -15.276 18.055 1.00 0.00 O ATOM 1373 CB SER A 86 106.666 -15.714 15.046 1.00 0.00 C ATOM 1374 OG SER A 86 105.296 -15.753 14.668 1.00 0.00 O ATOM 0 H SER A 86 107.399 -13.052 15.265 1.00 0.00 H new ATOM 0 HA SER A 86 106.115 -15.105 17.070 1.00 0.00 H new ATOM 0 HB2 SER A 86 107.270 -15.319 14.229 1.00 0.00 H new ATOM 0 HB3 SER A 86 107.027 -16.722 15.251 1.00 0.00 H new ATOM 0 HG SER A 86 105.192 -16.314 13.871 1.00 0.00 H new ATOM 1380 N SER A 87 109.245 -14.812 16.076 1.00 0.00 N ATOM 1381 CA SER A 87 110.646 -14.948 16.581 1.00 0.00 C ATOM 1382 C SER A 87 111.443 -13.677 16.279 1.00 0.00 C ATOM 1383 O SER A 87 111.171 -12.977 15.320 1.00 0.00 O ATOM 1384 CB SER A 87 111.226 -16.138 15.817 1.00 0.00 C ATOM 1385 OG SER A 87 111.295 -15.820 14.434 1.00 0.00 O ATOM 0 H SER A 87 109.166 -14.574 15.087 1.00 0.00 H new ATOM 0 HA SER A 87 110.684 -15.097 17.660 1.00 0.00 H new ATOM 0 HB2 SER A 87 112.219 -16.379 16.196 1.00 0.00 H new ATOM 0 HB3 SER A 87 110.604 -17.020 15.968 1.00 0.00 H new ATOM 0 HG SER A 87 111.668 -16.581 13.942 1.00 0.00 H new ATOM 1391 N LYS A 88 112.428 -13.376 17.092 1.00 0.00 N ATOM 1392 CA LYS A 88 113.260 -12.155 16.864 1.00 0.00 C ATOM 1393 C LYS A 88 114.730 -12.547 16.679 1.00 0.00 C ATOM 1394 O LYS A 88 115.628 -11.830 17.081 1.00 0.00 O ATOM 1395 CB LYS A 88 113.079 -11.314 18.129 1.00 0.00 C ATOM 1396 CG LYS A 88 113.516 -9.873 17.852 1.00 0.00 C ATOM 1397 CD LYS A 88 113.379 -9.045 19.132 1.00 0.00 C ATOM 1398 CE LYS A 88 113.640 -7.570 18.817 1.00 0.00 C ATOM 1399 NZ LYS A 88 113.918 -6.939 20.136 1.00 0.00 N ATOM 0 H LYS A 88 112.691 -13.928 17.908 1.00 0.00 H new ATOM 0 HA LYS A 88 112.963 -11.610 15.968 1.00 0.00 H new ATOM 0 HB2 LYS A 88 112.036 -11.334 18.446 1.00 0.00 H new ATOM 0 HB3 LYS A 88 113.668 -11.733 18.945 1.00 0.00 H new ATOM 0 HG2 LYS A 88 114.548 -9.855 17.503 1.00 0.00 H new ATOM 0 HG3 LYS A 88 112.904 -9.442 17.060 1.00 0.00 H new ATOM 0 HD2 LYS A 88 112.380 -9.167 19.551 1.00 0.00 H new ATOM 0 HD3 LYS A 88 114.086 -9.398 19.883 1.00 0.00 H new ATOM 0 HE2 LYS A 88 114.485 -7.455 18.138 1.00 0.00 H new ATOM 0 HE3 LYS A 88 112.778 -7.111 18.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 114.107 -5.925 20.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 113.094 -7.059 20.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 114.748 -7.392 20.569 1.00 0.00 H new ATOM 1413 N ASN A 89 114.977 -13.685 16.072 1.00 0.00 N ATOM 1414 CA ASN A 89 116.390 -14.153 15.874 1.00 0.00 C ATOM 1415 C ASN A 89 117.155 -13.186 14.963 1.00 0.00 C ATOM 1416 O ASN A 89 118.346 -12.988 15.120 1.00 0.00 O ATOM 1417 CB ASN A 89 116.277 -15.530 15.213 1.00 0.00 C ATOM 1418 CG ASN A 89 115.634 -16.517 16.190 1.00 0.00 C ATOM 1419 OD1 ASN A 89 114.670 -17.179 15.858 1.00 0.00 O ATOM 1420 ND2 ASN A 89 116.131 -16.645 17.390 1.00 0.00 N ATOM 0 H ASN A 89 114.261 -14.311 15.704 1.00 0.00 H new ATOM 0 HA ASN A 89 116.934 -14.199 16.817 1.00 0.00 H new ATOM 0 HB2 ASN A 89 115.679 -15.460 14.304 1.00 0.00 H new ATOM 0 HB3 ASN A 89 117.264 -15.885 14.918 1.00 0.00 H new ATOM 0 HD21 ASN A 89 115.711 -17.300 18.049 1.00 0.00 H new ATOM 0 HD22 ASN A 89 116.940 -16.090 17.669 1.00 0.00 H new ATOM 1427 N LYS A 90 116.477 -12.586 14.015 1.00 0.00 N ATOM 1428 CA LYS A 90 117.160 -11.641 13.077 1.00 0.00 C ATOM 1429 C LYS A 90 117.058 -10.207 13.602 1.00 0.00 C ATOM 1430 O LYS A 90 115.983 -9.728 13.914 1.00 0.00 O ATOM 1431 CB LYS A 90 116.410 -11.781 11.750 1.00 0.00 C ATOM 1432 CG LYS A 90 116.646 -13.178 11.172 1.00 0.00 C ATOM 1433 CD LYS A 90 115.988 -13.279 9.795 1.00 0.00 C ATOM 1434 CE LYS A 90 116.119 -14.711 9.270 1.00 0.00 C ATOM 1435 NZ LYS A 90 117.520 -14.813 8.778 1.00 0.00 N ATOM 0 H LYS A 90 115.478 -12.710 13.850 1.00 0.00 H new ATOM 0 HA LYS A 90 118.221 -11.865 12.969 1.00 0.00 H new ATOM 0 HB2 LYS A 90 115.344 -11.616 11.904 1.00 0.00 H new ATOM 0 HB3 LYS A 90 116.752 -11.023 11.046 1.00 0.00 H new ATOM 0 HG2 LYS A 90 117.715 -13.374 11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 90 116.233 -13.934 11.840 1.00 0.00 H new ATOM 0 HD2 LYS A 90 114.937 -12.999 9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 90 116.460 -12.582 9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 90 115.923 -15.439 10.057 1.00 0.00 H new ATOM 0 HE3 LYS A 90 115.404 -14.905 8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 117.517 -14.942 7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 118.036 -13.942 9.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 117.987 -15.626 9.228 1.00 0.00 H new ATOM 1449 N TRP A 91 118.171 -9.521 13.701 1.00 0.00 N ATOM 1450 CA TRP A 91 118.154 -8.112 14.197 1.00 0.00 C ATOM 1451 C TRP A 91 118.189 -7.135 13.018 1.00 0.00 C ATOM 1452 O TRP A 91 117.357 -6.254 12.907 1.00 0.00 O ATOM 1453 CB TRP A 91 119.418 -7.974 15.046 1.00 0.00 C ATOM 1454 CG TRP A 91 119.531 -6.652 15.737 1.00 0.00 C ATOM 1455 CD1 TRP A 91 120.532 -5.760 15.548 1.00 0.00 C ATOM 1456 CD2 TRP A 91 118.632 -6.061 16.719 1.00 0.00 C ATOM 1457 NE1 TRP A 91 120.309 -4.654 16.351 1.00 0.00 N ATOM 1458 CE2 TRP A 91 119.153 -4.785 17.094 1.00 0.00 C ATOM 1459 CE3 TRP A 91 117.421 -6.498 17.323 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 118.495 -3.966 18.038 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 116.754 -5.678 18.272 1.00 0.00 C ATOM 1462 CH2 TRP A 91 117.292 -4.414 18.628 1.00 0.00 C ATOM 0 H TRP A 91 119.094 -9.880 13.458 1.00 0.00 H new ATOM 0 HA TRP A 91 117.254 -7.887 14.769 1.00 0.00 H new ATOM 0 HB2 TRP A 91 119.433 -8.768 15.793 1.00 0.00 H new ATOM 0 HB3 TRP A 91 120.291 -8.118 14.410 1.00 0.00 H new ATOM 0 HD1 TRP A 91 121.370 -5.890 14.879 1.00 0.00 H new ATOM 0 HE1 TRP A 91 120.924 -3.841 16.389 1.00 0.00 H new ATOM 0 HE3 TRP A 91 117.006 -7.459 17.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 118.908 -3.005 18.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 115.834 -6.018 18.724 1.00 0.00 H new ATOM 0 HH2 TRP A 91 116.782 -3.794 19.350 1.00 0.00 H new ATOM 1473 N SER A 92 119.150 -7.289 12.137 1.00 0.00 N ATOM 1474 CA SER A 92 119.257 -6.370 10.961 1.00 0.00 C ATOM 1475 C SER A 92 119.075 -7.154 9.658 1.00 0.00 C ATOM 1476 O SER A 92 119.474 -8.300 9.555 1.00 0.00 O ATOM 1477 CB SER A 92 120.669 -5.790 11.043 1.00 0.00 C ATOM 1478 OG SER A 92 120.835 -5.133 12.293 1.00 0.00 O ATOM 0 H SER A 92 119.866 -8.014 12.183 1.00 0.00 H new ATOM 0 HA SER A 92 118.493 -5.592 10.973 1.00 0.00 H new ATOM 0 HB2 SER A 92 121.408 -6.584 10.936 1.00 0.00 H new ATOM 0 HB3 SER A 92 120.834 -5.088 10.225 1.00 0.00 H new ATOM 0 HG SER A 92 121.740 -4.761 12.350 1.00 0.00 H new ATOM 1484 N MET A 93 118.474 -6.540 8.666 1.00 0.00 N ATOM 1485 CA MET A 93 118.250 -7.245 7.361 1.00 0.00 C ATOM 1486 C MET A 93 119.588 -7.521 6.667 1.00 0.00 C ATOM 1487 O MET A 93 119.769 -8.550 6.042 1.00 0.00 O ATOM 1488 CB MET A 93 117.400 -6.288 6.520 1.00 0.00 C ATOM 1489 CG MET A 93 116.013 -6.135 7.153 1.00 0.00 C ATOM 1490 SD MET A 93 115.069 -7.665 6.932 1.00 0.00 S ATOM 1491 CE MET A 93 114.939 -7.596 5.129 1.00 0.00 C ATOM 0 H MET A 93 118.129 -5.581 8.703 1.00 0.00 H new ATOM 0 HA MET A 93 117.758 -8.208 7.500 1.00 0.00 H new ATOM 0 HB2 MET A 93 117.889 -5.316 6.453 1.00 0.00 H new ATOM 0 HB3 MET A 93 117.306 -6.668 5.503 1.00 0.00 H new ATOM 0 HG2 MET A 93 116.110 -5.906 8.214 1.00 0.00 H new ATOM 0 HG3 MET A 93 115.483 -5.300 6.694 1.00 0.00 H new ATOM 0 HE1 MET A 93 113.975 -7.999 4.818 1.00 0.00 H new ATOM 0 HE2 MET A 93 115.023 -6.561 4.797 1.00 0.00 H new ATOM 0 HE3 MET A 93 115.740 -8.186 4.684 1.00 0.00 H new ATOM 1501 N ASP A 94 120.523 -6.608 6.775 1.00 0.00 N ATOM 1502 CA ASP A 94 121.849 -6.799 6.109 1.00 0.00 C ATOM 1503 C ASP A 94 122.817 -7.520 7.050 1.00 0.00 C ATOM 1504 O ASP A 94 122.942 -7.171 8.209 1.00 0.00 O ATOM 1505 CB ASP A 94 122.353 -5.386 5.802 1.00 0.00 C ATOM 1506 CG ASP A 94 121.447 -4.729 4.757 1.00 0.00 C ATOM 1507 OD1 ASP A 94 121.076 -5.406 3.811 1.00 0.00 O ATOM 1508 OD2 ASP A 94 121.140 -3.559 4.919 1.00 0.00 O ATOM 0 H ASP A 94 120.424 -5.737 7.297 1.00 0.00 H new ATOM 0 HA ASP A 94 121.770 -7.407 5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 94 122.366 -4.788 6.713 1.00 0.00 H new ATOM 0 HB3 ASP A 94 123.378 -5.427 5.434 1.00 0.00 H new ATOM 1513 N CYS A 95 123.500 -8.525 6.556 1.00 0.00 N ATOM 1514 CA CYS A 95 124.476 -9.272 7.406 1.00 0.00 C ATOM 1515 C CYS A 95 125.910 -8.943 6.981 1.00 0.00 C ATOM 1516 O CYS A 95 126.809 -8.886 7.801 1.00 0.00 O ATOM 1517 CB CYS A 95 124.168 -10.749 7.156 1.00 0.00 C ATOM 1518 SG CYS A 95 122.571 -11.168 7.899 1.00 0.00 S ATOM 0 H CYS A 95 123.422 -8.860 5.596 1.00 0.00 H new ATOM 0 HA CYS A 95 124.391 -9.010 8.461 1.00 0.00 H new ATOM 0 HB2 CYS A 95 124.147 -10.951 6.085 1.00 0.00 H new ATOM 0 HB3 CYS A 95 124.954 -11.372 7.582 1.00 0.00 H new ATOM 0 HG CYS A 95 122.308 -12.423 7.684 1.00 0.00 H new ATOM 1524 N ASP A 96 126.125 -8.727 5.706 1.00 0.00 N ATOM 1525 CA ASP A 96 127.506 -8.421 5.211 1.00 0.00 C ATOM 1526 C ASP A 96 127.738 -6.905 5.175 1.00 0.00 C ATOM 1527 O ASP A 96 126.827 -6.125 5.383 1.00 0.00 O ATOM 1528 CB ASP A 96 127.582 -9.029 3.800 1.00 0.00 C ATOM 1529 CG ASP A 96 126.545 -8.380 2.872 1.00 0.00 C ATOM 1530 OD1 ASP A 96 126.949 -7.804 1.876 1.00 0.00 O ATOM 1531 OD2 ASP A 96 125.367 -8.473 3.175 1.00 0.00 O ATOM 0 H ASP A 96 125.404 -8.749 4.985 1.00 0.00 H new ATOM 0 HA ASP A 96 128.275 -8.836 5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 96 128.582 -8.887 3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 96 127.408 -10.104 3.852 1.00 0.00 H new ATOM 1536 N GLU A 97 128.954 -6.490 4.911 1.00 0.00 N ATOM 1537 CA GLU A 97 129.264 -5.028 4.859 1.00 0.00 C ATOM 1538 C GLU A 97 129.346 -4.558 3.404 1.00 0.00 C ATOM 1539 O GLU A 97 129.691 -5.317 2.517 1.00 0.00 O ATOM 1540 CB GLU A 97 130.624 -4.890 5.548 1.00 0.00 C ATOM 1541 CG GLU A 97 130.954 -3.407 5.739 1.00 0.00 C ATOM 1542 CD GLU A 97 132.369 -3.265 6.303 1.00 0.00 C ATOM 1543 OE1 GLU A 97 133.249 -3.967 5.832 1.00 0.00 O ATOM 1544 OE2 GLU A 97 132.549 -2.456 7.199 1.00 0.00 O ATOM 0 H GLU A 97 129.747 -7.104 4.729 1.00 0.00 H new ATOM 0 HA GLU A 97 128.498 -4.423 5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 97 130.607 -5.397 6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 97 131.397 -5.371 4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 97 130.876 -2.881 4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 97 130.234 -2.948 6.416 1.00 0.00 H new ATOM 1551 N GLU A 98 129.030 -3.309 3.157 1.00 0.00 N ATOM 1552 CA GLU A 98 129.079 -2.777 1.760 1.00 0.00 C ATOM 1553 C GLU A 98 130.479 -2.237 1.449 1.00 0.00 C ATOM 1554 O GLU A 98 131.176 -1.763 2.327 1.00 0.00 O ATOM 1555 CB GLU A 98 128.048 -1.647 1.718 1.00 0.00 C ATOM 1556 CG GLU A 98 126.636 -2.228 1.858 1.00 0.00 C ATOM 1557 CD GLU A 98 126.282 -2.389 3.340 1.00 0.00 C ATOM 1558 OE1 GLU A 98 126.640 -1.517 4.116 1.00 0.00 O ATOM 1559 OE2 GLU A 98 125.658 -3.383 3.674 1.00 0.00 O ATOM 0 H GLU A 98 128.740 -2.635 3.865 1.00 0.00 H new ATOM 0 HA GLU A 98 128.862 -3.549 1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 98 128.240 -0.937 2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.134 -1.098 0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 98 125.914 -1.572 1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 98 126.579 -3.193 1.355 1.00 0.00 H new ATOM 1566 N PHE A 99 130.889 -2.310 0.206 1.00 0.00 N ATOM 1567 CA PHE A 99 132.250 -1.823 -0.173 1.00 0.00 C ATOM 1568 C PHE A 99 132.159 -0.432 -0.809 1.00 0.00 C ATOM 1569 O PHE A 99 131.477 -0.239 -1.800 1.00 0.00 O ATOM 1570 CB PHE A 99 132.763 -2.846 -1.188 1.00 0.00 C ATOM 1571 CG PHE A 99 134.182 -2.592 -1.639 1.00 0.00 C ATOM 1572 CD1 PHE A 99 134.425 -1.928 -2.865 1.00 0.00 C ATOM 1573 CD2 PHE A 99 135.267 -3.023 -0.838 1.00 0.00 C ATOM 1574 CE1 PHE A 99 135.756 -1.692 -3.291 1.00 0.00 C ATOM 1575 CE2 PHE A 99 136.597 -2.786 -1.263 1.00 0.00 C ATOM 1576 CZ PHE A 99 136.842 -2.122 -2.489 1.00 0.00 C ATOM 0 H PHE A 99 130.337 -2.687 -0.564 1.00 0.00 H new ATOM 0 HA PHE A 99 132.912 -1.732 0.688 1.00 0.00 H new ATOM 0 HB2 PHE A 99 132.703 -3.842 -0.749 1.00 0.00 H new ATOM 0 HB3 PHE A 99 132.108 -2.841 -2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 99 133.596 -1.601 -3.476 1.00 0.00 H new ATOM 0 HD2 PHE A 99 135.081 -3.532 0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 99 135.942 -1.185 -4.226 1.00 0.00 H new ATOM 0 HE2 PHE A 99 137.425 -3.112 -0.651 1.00 0.00 H new ATOM 0 HZ PHE A 99 137.857 -1.943 -2.813 1.00 0.00 H new ATOM 1586 N ASP A 100 132.842 0.534 -0.243 1.00 0.00 N ATOM 1587 CA ASP A 100 132.812 1.919 -0.809 1.00 0.00 C ATOM 1588 C ASP A 100 133.986 2.738 -0.264 1.00 0.00 C ATOM 1589 O ASP A 100 134.550 2.417 0.765 1.00 0.00 O ATOM 1590 CB ASP A 100 131.482 2.513 -0.339 1.00 0.00 C ATOM 1591 CG ASP A 100 131.182 3.787 -1.131 1.00 0.00 C ATOM 1592 OD1 ASP A 100 130.775 4.760 -0.517 1.00 0.00 O ATOM 1593 OD2 ASP A 100 131.362 3.770 -2.338 1.00 0.00 O ATOM 0 H ASP A 100 133.421 0.422 0.589 1.00 0.00 H new ATOM 0 HA ASP A 100 132.898 1.922 -1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 100 130.679 1.789 -0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 100 131.528 2.737 0.727 1.00 0.00 H new ATOM 1598 N PHE A 101 134.355 3.793 -0.952 1.00 0.00 N ATOM 1599 CA PHE A 101 135.476 4.659 -0.472 1.00 0.00 C ATOM 1600 C PHE A 101 134.979 6.090 -0.244 1.00 0.00 C ATOM 1601 O PHE A 101 134.046 6.540 -0.884 1.00 0.00 O ATOM 1602 CB PHE A 101 136.512 4.626 -1.594 1.00 0.00 C ATOM 1603 CG PHE A 101 137.157 3.273 -1.781 1.00 0.00 C ATOM 1604 CD1 PHE A 101 138.189 2.854 -0.908 1.00 0.00 C ATOM 1605 CD2 PHE A 101 136.730 2.424 -2.832 1.00 0.00 C ATOM 1606 CE1 PHE A 101 138.794 1.587 -1.083 1.00 0.00 C ATOM 1607 CE2 PHE A 101 137.336 1.155 -3.007 1.00 0.00 C ATOM 1608 CZ PHE A 101 138.368 0.737 -2.132 1.00 0.00 C ATOM 0 H PHE A 101 133.926 4.091 -1.828 1.00 0.00 H new ATOM 0 HA PHE A 101 135.889 4.311 0.475 1.00 0.00 H new ATOM 0 HB2 PHE A 101 136.034 4.924 -2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 101 137.287 5.363 -1.383 1.00 0.00 H new ATOM 0 HD1 PHE A 101 138.515 3.502 -0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 101 135.943 2.744 -3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 101 139.581 1.268 -0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 101 137.011 0.507 -3.807 1.00 0.00 H new ATOM 0 HZ PHE A 101 138.830 -0.230 -2.265 1.00 0.00 H new ATOM 1618 N ALA A 102 135.600 6.804 0.665 1.00 0.00 N ATOM 1619 CA ALA A 102 135.183 8.218 0.935 1.00 0.00 C ATOM 1620 C ALA A 102 135.514 9.110 -0.267 1.00 0.00 C ATOM 1621 O ALA A 102 134.813 10.063 -0.552 1.00 0.00 O ATOM 1622 CB ALA A 102 135.987 8.655 2.162 1.00 0.00 C ATOM 0 H ALA A 102 136.378 6.468 1.232 1.00 0.00 H new ATOM 0 HA ALA A 102 134.110 8.298 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 102 135.732 9.684 2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 102 135.751 8.003 3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 102 137.052 8.590 1.941 1.00 0.00 H new ATOM 1628 N ALA A 103 136.578 8.803 -0.970 1.00 0.00 N ATOM 1629 CA ALA A 103 136.971 9.631 -2.152 1.00 0.00 C ATOM 1630 C ALA A 103 136.444 8.996 -3.442 1.00 0.00 C ATOM 1631 O ALA A 103 136.356 7.787 -3.555 1.00 0.00 O ATOM 1632 CB ALA A 103 138.500 9.637 -2.143 1.00 0.00 C ATOM 0 H ALA A 103 137.192 8.012 -0.775 1.00 0.00 H new ATOM 0 HA ALA A 103 136.560 10.639 -2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 103 138.866 10.226 -2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 103 138.857 10.074 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 103 138.868 8.615 -2.229 1.00 0.00 H new ATOM 1638 N ASN A 104 136.095 9.806 -4.412 1.00 0.00 N ATOM 1639 CA ASN A 104 135.561 9.264 -5.698 1.00 0.00 C ATOM 1640 C ASN A 104 136.653 9.275 -6.772 1.00 0.00 C ATOM 1641 O ASN A 104 137.394 10.232 -6.903 1.00 0.00 O ATOM 1642 CB ASN A 104 134.421 10.208 -6.082 1.00 0.00 C ATOM 1643 CG ASN A 104 133.597 9.582 -7.208 1.00 0.00 C ATOM 1644 OD1 ASN A 104 133.004 8.536 -7.033 1.00 0.00 O ATOM 1645 ND2 ASN A 104 133.533 10.181 -8.366 1.00 0.00 N ATOM 0 H ASN A 104 136.158 10.823 -4.367 1.00 0.00 H new ATOM 0 HA ASN A 104 135.222 8.233 -5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 104 133.787 10.400 -5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 104 134.823 11.169 -6.402 1.00 0.00 H new ATOM 0 HD21 ASN A 104 132.986 9.771 -9.123 1.00 0.00 H new ATOM 0 HD22 ASN A 104 134.030 11.059 -8.514 1.00 0.00 H new ATOM 1652 N LEU A 105 136.753 8.216 -7.539 1.00 0.00 N ATOM 1653 CA LEU A 105 137.789 8.153 -8.616 1.00 0.00 C ATOM 1654 C LEU A 105 137.192 8.615 -9.948 1.00 0.00 C ATOM 1655 O LEU A 105 136.078 8.264 -10.291 1.00 0.00 O ATOM 1656 CB LEU A 105 138.198 6.680 -8.689 1.00 0.00 C ATOM 1657 CG LEU A 105 139.411 6.530 -9.608 1.00 0.00 C ATOM 1658 CD1 LEU A 105 140.655 7.078 -8.906 1.00 0.00 C ATOM 1659 CD2 LEU A 105 139.621 5.049 -9.935 1.00 0.00 C ATOM 0 H LEU A 105 136.159 7.390 -7.465 1.00 0.00 H new ATOM 0 HA LEU A 105 138.642 8.800 -8.409 1.00 0.00 H new ATOM 0 HB2 LEU A 105 138.436 6.308 -7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 105 137.369 6.080 -9.064 1.00 0.00 H new ATOM 0 HG LEU A 105 139.240 7.086 -10.530 1.00 0.00 H new ATOM 0 HD11 LEU A 105 141.519 6.971 -9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 105 140.506 8.132 -8.671 1.00 0.00 H new ATOM 0 HD13 LEU A 105 140.827 6.522 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 105 140.485 4.940 -10.590 1.00 0.00 H new ATOM 0 HD22 LEU A 105 139.792 4.494 -9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 105 138.735 4.658 -10.435 1.00 0.00 H new ATOM 1671 N GLU A 106 137.929 9.399 -10.700 1.00 0.00 N ATOM 1672 CA GLU A 106 137.404 9.912 -12.008 1.00 0.00 C ATOM 1673 C GLU A 106 137.192 8.753 -12.989 1.00 0.00 C ATOM 1674 O GLU A 106 137.997 7.844 -13.070 1.00 0.00 O ATOM 1675 CB GLU A 106 138.479 10.867 -12.537 1.00 0.00 C ATOM 1676 CG GLU A 106 138.583 12.084 -11.612 1.00 0.00 C ATOM 1677 CD GLU A 106 139.578 13.094 -12.193 1.00 0.00 C ATOM 1678 OE1 GLU A 106 140.573 12.666 -12.758 1.00 0.00 O ATOM 1679 OE2 GLU A 106 139.327 14.281 -12.064 1.00 0.00 O ATOM 0 H GLU A 106 138.873 9.706 -10.465 1.00 0.00 H new ATOM 0 HA GLU A 106 136.443 10.412 -11.889 1.00 0.00 H new ATOM 0 HB2 GLU A 106 139.440 10.355 -12.591 1.00 0.00 H new ATOM 0 HB3 GLU A 106 138.230 11.187 -13.549 1.00 0.00 H new ATOM 0 HG2 GLU A 106 137.604 12.549 -11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 106 138.906 11.771 -10.619 1.00 0.00 H new ATOM 1686 N LYS A 107 136.112 8.785 -13.732 1.00 0.00 N ATOM 1687 CA LYS A 107 135.827 7.689 -14.709 1.00 0.00 C ATOM 1688 C LYS A 107 135.489 8.279 -16.081 1.00 0.00 C ATOM 1689 O LYS A 107 135.099 9.426 -16.191 1.00 0.00 O ATOM 1690 CB LYS A 107 134.619 6.947 -14.133 1.00 0.00 C ATOM 1691 CG LYS A 107 135.019 6.248 -12.832 1.00 0.00 C ATOM 1692 CD LYS A 107 133.844 5.413 -12.318 1.00 0.00 C ATOM 1693 CE LYS A 107 134.204 4.805 -10.960 1.00 0.00 C ATOM 1694 NZ LYS A 107 132.911 4.323 -10.401 1.00 0.00 N ATOM 0 H LYS A 107 135.413 9.527 -13.703 1.00 0.00 H new ATOM 0 HA LYS A 107 136.682 7.028 -14.848 1.00 0.00 H new ATOM 0 HB2 LYS A 107 133.805 7.647 -13.946 1.00 0.00 H new ATOM 0 HB3 LYS A 107 134.252 6.215 -14.853 1.00 0.00 H new ATOM 0 HG2 LYS A 107 135.886 5.609 -13.002 1.00 0.00 H new ATOM 0 HG3 LYS A 107 135.309 6.986 -12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 107 132.955 6.036 -12.225 1.00 0.00 H new ATOM 0 HD3 LYS A 107 133.606 4.623 -13.030 1.00 0.00 H new ATOM 0 HE2 LYS A 107 134.916 3.987 -11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 107 134.666 5.545 -10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 133.075 3.892 -9.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 132.255 5.124 -10.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 132.498 3.615 -11.042 1.00 0.00 H new ATOM 1708 N PHE A 108 135.639 7.499 -17.126 1.00 0.00 N ATOM 1709 CA PHE A 108 135.334 8.004 -18.501 1.00 0.00 C ATOM 1710 C PHE A 108 134.395 7.033 -19.227 1.00 0.00 C ATOM 1711 O PHE A 108 134.244 5.892 -18.831 1.00 0.00 O ATOM 1712 CB PHE A 108 136.691 8.078 -19.209 1.00 0.00 C ATOM 1713 CG PHE A 108 137.417 6.753 -19.287 1.00 0.00 C ATOM 1714 CD1 PHE A 108 137.291 5.943 -20.441 1.00 0.00 C ATOM 1715 CD2 PHE A 108 138.223 6.322 -18.205 1.00 0.00 C ATOM 1716 CE1 PHE A 108 137.971 4.703 -20.514 1.00 0.00 C ATOM 1717 CE2 PHE A 108 138.903 5.081 -18.277 1.00 0.00 C ATOM 1718 CZ PHE A 108 138.777 4.272 -19.432 1.00 0.00 C ATOM 0 H PHE A 108 135.960 6.532 -17.084 1.00 0.00 H new ATOM 0 HA PHE A 108 134.833 8.972 -18.484 1.00 0.00 H new ATOM 0 HB2 PHE A 108 136.542 8.459 -20.219 1.00 0.00 H new ATOM 0 HB3 PHE A 108 137.323 8.797 -18.687 1.00 0.00 H new ATOM 0 HD1 PHE A 108 136.676 6.271 -21.266 1.00 0.00 H new ATOM 0 HD2 PHE A 108 138.319 6.940 -17.324 1.00 0.00 H new ATOM 0 HE1 PHE A 108 137.875 4.086 -21.395 1.00 0.00 H new ATOM 0 HE2 PHE A 108 139.517 4.752 -17.451 1.00 0.00 H new ATOM 0 HZ PHE A 108 139.295 3.326 -19.488 1.00 0.00 H new ATOM 1728 N ASP A 109 133.762 7.485 -20.289 1.00 0.00 N ATOM 1729 CA ASP A 109 132.812 6.611 -21.065 1.00 0.00 C ATOM 1730 C ASP A 109 131.758 5.985 -20.138 1.00 0.00 C ATOM 1731 O ASP A 109 131.930 4.886 -19.641 1.00 0.00 O ATOM 1732 CB ASP A 109 133.684 5.526 -21.709 1.00 0.00 C ATOM 1733 CG ASP A 109 132.855 4.737 -22.725 1.00 0.00 C ATOM 1734 OD1 ASP A 109 132.961 3.521 -22.729 1.00 0.00 O ATOM 1735 OD2 ASP A 109 132.130 5.361 -23.482 1.00 0.00 O ATOM 0 H ASP A 109 133.863 8.431 -20.656 1.00 0.00 H new ATOM 0 HA ASP A 109 132.262 7.183 -21.813 1.00 0.00 H new ATOM 0 HB2 ASP A 109 134.544 5.981 -22.201 1.00 0.00 H new ATOM 0 HB3 ASP A 109 134.073 4.855 -20.943 1.00 0.00 H new ATOM 1740 N LYS A 110 130.672 6.681 -19.906 1.00 0.00 N ATOM 1741 CA LYS A 110 129.597 6.141 -19.019 1.00 0.00 C ATOM 1742 C LYS A 110 128.379 5.729 -19.852 1.00 0.00 C ATOM 1743 O LYS A 110 128.035 6.379 -20.822 1.00 0.00 O ATOM 1744 CB LYS A 110 129.235 7.293 -18.078 1.00 0.00 C ATOM 1745 CG LYS A 110 130.431 7.624 -17.178 1.00 0.00 C ATOM 1746 CD LYS A 110 130.646 6.492 -16.171 1.00 0.00 C ATOM 1747 CE LYS A 110 131.700 6.913 -15.146 1.00 0.00 C ATOM 1748 NZ LYS A 110 130.959 7.736 -14.150 1.00 0.00 N ATOM 0 H LYS A 110 130.484 7.605 -20.295 1.00 0.00 H new ATOM 0 HA LYS A 110 129.924 5.257 -18.472 1.00 0.00 H new ATOM 0 HB2 LYS A 110 128.950 8.171 -18.657 1.00 0.00 H new ATOM 0 HB3 LYS A 110 128.374 7.020 -17.468 1.00 0.00 H new ATOM 0 HG2 LYS A 110 131.327 7.761 -17.783 1.00 0.00 H new ATOM 0 HG3 LYS A 110 130.255 8.563 -16.653 1.00 0.00 H new ATOM 0 HD2 LYS A 110 129.708 6.256 -15.668 1.00 0.00 H new ATOM 0 HD3 LYS A 110 130.967 5.588 -16.688 1.00 0.00 H new ATOM 0 HE2 LYS A 110 132.162 6.045 -14.676 1.00 0.00 H new ATOM 0 HE3 LYS A 110 132.500 7.486 -15.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 131.522 8.576 -13.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 130.049 8.034 -14.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 130.789 7.173 -13.292 1.00 0.00 H new ATOM 1762 N LYS A 111 127.731 4.653 -19.478 1.00 0.00 N ATOM 1763 CA LYS A 111 126.521 4.198 -20.227 1.00 0.00 C ATOM 1764 C LYS A 111 125.251 4.566 -19.453 1.00 0.00 C ATOM 1765 O LYS A 111 125.209 4.477 -18.240 1.00 0.00 O ATOM 1766 CB LYS A 111 126.664 2.678 -20.329 1.00 0.00 C ATOM 1767 CG LYS A 111 127.853 2.333 -21.228 1.00 0.00 C ATOM 1768 CD LYS A 111 127.931 0.817 -21.415 1.00 0.00 C ATOM 1769 CE LYS A 111 129.183 0.464 -22.219 1.00 0.00 C ATOM 1770 NZ LYS A 111 129.409 -0.985 -21.963 1.00 0.00 N ATOM 0 H LYS A 111 127.990 4.069 -18.683 1.00 0.00 H new ATOM 0 HA LYS A 111 126.443 4.666 -21.208 1.00 0.00 H new ATOM 0 HB2 LYS A 111 126.808 2.249 -19.337 1.00 0.00 H new ATOM 0 HB3 LYS A 111 125.750 2.243 -20.734 1.00 0.00 H new ATOM 0 HG2 LYS A 111 127.745 2.824 -22.195 1.00 0.00 H new ATOM 0 HG3 LYS A 111 128.777 2.703 -20.784 1.00 0.00 H new ATOM 0 HD2 LYS A 111 127.958 0.321 -20.445 1.00 0.00 H new ATOM 0 HD3 LYS A 111 127.041 0.458 -21.932 1.00 0.00 H new ATOM 0 HE2 LYS A 111 129.038 0.659 -23.282 1.00 0.00 H new ATOM 0 HE3 LYS A 111 130.038 1.059 -21.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 130.253 -1.302 -22.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 129.551 -1.140 -20.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 128.582 -1.527 -22.284 1.00 0.00 H new ATOM 1784 N GLN A 112 124.218 4.978 -20.150 1.00 0.00 N ATOM 1785 CA GLN A 112 122.939 5.356 -19.461 1.00 0.00 C ATOM 1786 C GLN A 112 122.310 4.127 -18.796 1.00 0.00 C ATOM 1787 O GLN A 112 121.753 4.215 -17.717 1.00 0.00 O ATOM 1788 CB GLN A 112 122.025 5.892 -20.567 1.00 0.00 C ATOM 1789 CG GLN A 112 120.785 6.533 -19.940 1.00 0.00 C ATOM 1790 CD GLN A 112 119.834 6.995 -21.044 1.00 0.00 C ATOM 1791 OE1 GLN A 112 120.053 8.018 -21.663 1.00 0.00 O ATOM 1792 NE2 GLN A 112 118.778 6.280 -21.322 1.00 0.00 N ATOM 0 H GLN A 112 124.204 5.069 -21.166 1.00 0.00 H new ATOM 0 HA GLN A 112 123.102 6.095 -18.677 1.00 0.00 H new ATOM 0 HB2 GLN A 112 122.560 6.625 -21.172 1.00 0.00 H new ATOM 0 HB3 GLN A 112 121.730 5.082 -21.234 1.00 0.00 H new ATOM 0 HG2 GLN A 112 120.283 5.817 -19.289 1.00 0.00 H new ATOM 0 HG3 GLN A 112 121.076 7.380 -19.318 1.00 0.00 H new ATOM 0 HE21 GLN A 112 118.593 5.421 -20.804 1.00 0.00 H new ATOM 0 HE22 GLN A 112 118.138 6.580 -22.058 1.00 0.00 H new ATOM 1801 N VAL A 113 122.398 2.985 -19.434 1.00 0.00 N ATOM 1802 CA VAL A 113 121.813 1.736 -18.847 1.00 0.00 C ATOM 1803 C VAL A 113 122.835 0.595 -18.908 1.00 0.00 C ATOM 1804 O VAL A 113 123.764 0.626 -19.694 1.00 0.00 O ATOM 1805 CB VAL A 113 120.576 1.410 -19.702 1.00 0.00 C ATOM 1806 CG1 VAL A 113 119.546 2.533 -19.561 1.00 0.00 C ATOM 1807 CG2 VAL A 113 120.969 1.269 -21.180 1.00 0.00 C ATOM 0 H VAL A 113 122.851 2.863 -20.340 1.00 0.00 H new ATOM 0 HA VAL A 113 121.544 1.867 -17.799 1.00 0.00 H new ATOM 0 HB VAL A 113 120.150 0.469 -19.355 1.00 0.00 H new ATOM 0 HG11 VAL A 113 118.670 2.301 -20.167 1.00 0.00 H new ATOM 0 HG12 VAL A 113 119.250 2.626 -18.516 1.00 0.00 H new ATOM 0 HG13 VAL A 113 119.983 3.472 -19.899 1.00 0.00 H new ATOM 0 HG21 VAL A 113 120.083 1.038 -21.772 1.00 0.00 H new ATOM 0 HG22 VAL A 113 121.407 2.204 -21.531 1.00 0.00 H new ATOM 0 HG23 VAL A 113 121.697 0.465 -21.288 1.00 0.00 H new ATOM 1817 N PHE A 114 122.665 -0.411 -18.083 1.00 0.00 N ATOM 1818 CA PHE A 114 123.615 -1.564 -18.087 1.00 0.00 C ATOM 1819 C PHE A 114 122.978 -2.770 -18.785 1.00 0.00 C ATOM 1820 O PHE A 114 121.884 -3.186 -18.447 1.00 0.00 O ATOM 1821 CB PHE A 114 123.870 -1.872 -16.612 1.00 0.00 C ATOM 1822 CG PHE A 114 124.535 -0.740 -15.866 1.00 0.00 C ATOM 1823 CD1 PHE A 114 125.946 -0.609 -15.889 1.00 0.00 C ATOM 1824 CD2 PHE A 114 123.750 0.191 -15.143 1.00 0.00 C ATOM 1825 CE1 PHE A 114 126.570 0.453 -15.190 1.00 0.00 C ATOM 1826 CE2 PHE A 114 124.374 1.253 -14.444 1.00 0.00 C ATOM 1827 CZ PHE A 114 125.784 1.384 -14.468 1.00 0.00 C ATOM 0 H PHE A 114 121.906 -0.481 -17.405 1.00 0.00 H new ATOM 0 HA PHE A 114 124.538 -1.338 -18.621 1.00 0.00 H new ATOM 0 HB2 PHE A 114 122.922 -2.107 -16.129 1.00 0.00 H new ATOM 0 HB3 PHE A 114 124.495 -2.762 -16.538 1.00 0.00 H new ATOM 0 HD1 PHE A 114 126.545 -1.319 -16.440 1.00 0.00 H new ATOM 0 HD2 PHE A 114 122.675 0.091 -15.125 1.00 0.00 H new ATOM 0 HE1 PHE A 114 127.645 0.553 -15.208 1.00 0.00 H new ATOM 0 HE2 PHE A 114 123.775 1.963 -13.893 1.00 0.00 H new ATOM 0 HZ PHE A 114 126.260 2.194 -13.936 1.00 0.00 H new ATOM 1837 N ALA A 115 123.658 -3.331 -19.756 1.00 0.00 N ATOM 1838 CA ALA A 115 123.100 -4.512 -20.488 1.00 0.00 C ATOM 1839 C ALA A 115 123.365 -5.798 -19.699 1.00 0.00 C ATOM 1840 O ALA A 115 122.510 -6.657 -19.595 1.00 0.00 O ATOM 1841 CB ALA A 115 123.838 -4.544 -21.828 1.00 0.00 C ATOM 0 H ALA A 115 124.577 -3.022 -20.074 1.00 0.00 H new ATOM 0 HA ALA A 115 122.021 -4.437 -20.623 1.00 0.00 H new ATOM 0 HB1 ALA A 115 123.480 -5.386 -22.420 1.00 0.00 H new ATOM 0 HB2 ALA A 115 123.652 -3.616 -22.368 1.00 0.00 H new ATOM 0 HB3 ALA A 115 124.908 -4.653 -21.652 1.00 0.00 H new ATOM 1847 N GLU A 116 124.546 -5.931 -19.144 1.00 0.00 N ATOM 1848 CA GLU A 116 124.888 -7.169 -18.371 1.00 0.00 C ATOM 1849 C GLU A 116 124.043 -7.248 -17.095 1.00 0.00 C ATOM 1850 O GLU A 116 123.619 -8.314 -16.688 1.00 0.00 O ATOM 1851 CB GLU A 116 126.374 -7.036 -18.023 1.00 0.00 C ATOM 1852 CG GLU A 116 126.879 -8.347 -17.414 1.00 0.00 C ATOM 1853 CD GLU A 116 128.329 -8.175 -16.955 1.00 0.00 C ATOM 1854 OE1 GLU A 116 129.116 -9.074 -17.197 1.00 0.00 O ATOM 1855 OE2 GLU A 116 128.627 -7.147 -16.367 1.00 0.00 O ATOM 0 H GLU A 116 125.290 -5.235 -19.193 1.00 0.00 H new ATOM 0 HA GLU A 116 124.688 -8.075 -18.943 1.00 0.00 H new ATOM 0 HB2 GLU A 116 126.947 -6.795 -18.918 1.00 0.00 H new ATOM 0 HB3 GLU A 116 126.521 -6.216 -17.320 1.00 0.00 H new ATOM 0 HG2 GLU A 116 126.251 -8.633 -16.570 1.00 0.00 H new ATOM 0 HG3 GLU A 116 126.812 -9.150 -18.148 1.00 0.00 H new ATOM 1862 N PHE A 117 123.794 -6.120 -16.461 1.00 0.00 N ATOM 1863 CA PHE A 117 122.994 -6.095 -15.186 1.00 0.00 C ATOM 1864 C PHE A 117 123.621 -7.014 -14.127 1.00 0.00 C ATOM 1865 O PHE A 117 124.559 -7.741 -14.400 1.00 0.00 O ATOM 1866 CB PHE A 117 121.591 -6.586 -15.567 1.00 0.00 C ATOM 1867 CG PHE A 117 120.542 -6.294 -14.521 1.00 0.00 C ATOM 1868 CD1 PHE A 117 119.979 -4.999 -14.425 1.00 0.00 C ATOM 1869 CD2 PHE A 117 120.121 -7.317 -13.636 1.00 0.00 C ATOM 1870 CE1 PHE A 117 118.994 -4.725 -13.445 1.00 0.00 C ATOM 1871 CE2 PHE A 117 119.136 -7.042 -12.655 1.00 0.00 C ATOM 1872 CZ PHE A 117 118.573 -5.746 -12.559 1.00 0.00 C ATOM 0 H PHE A 117 124.115 -5.205 -16.777 1.00 0.00 H new ATOM 0 HA PHE A 117 122.967 -5.095 -14.752 1.00 0.00 H new ATOM 0 HB2 PHE A 117 121.295 -6.119 -16.506 1.00 0.00 H new ATOM 0 HB3 PHE A 117 121.627 -7.661 -15.743 1.00 0.00 H new ATOM 0 HD1 PHE A 117 120.301 -4.219 -15.099 1.00 0.00 H new ATOM 0 HD2 PHE A 117 120.550 -8.305 -13.709 1.00 0.00 H new ATOM 0 HE1 PHE A 117 118.564 -3.737 -13.373 1.00 0.00 H new ATOM 0 HE2 PHE A 117 118.814 -7.821 -11.980 1.00 0.00 H new ATOM 0 HZ PHE A 117 117.823 -5.537 -11.811 1.00 0.00 H new ATOM 1882 N ARG A 118 123.107 -6.984 -12.921 1.00 0.00 N ATOM 1883 CA ARG A 118 123.666 -7.849 -11.836 1.00 0.00 C ATOM 1884 C ARG A 118 122.568 -8.233 -10.835 1.00 0.00 C ATOM 1885 O ARG A 118 121.639 -7.481 -10.603 1.00 0.00 O ATOM 1886 CB ARG A 118 124.759 -7.003 -11.161 1.00 0.00 C ATOM 1887 CG ARG A 118 124.162 -5.708 -10.591 1.00 0.00 C ATOM 1888 CD ARG A 118 125.293 -4.774 -10.152 1.00 0.00 C ATOM 1889 NE ARG A 118 124.607 -3.588 -9.550 1.00 0.00 N ATOM 1890 CZ ARG A 118 124.069 -3.636 -8.345 1.00 0.00 C ATOM 1891 NH1 ARG A 118 124.095 -4.733 -7.623 1.00 0.00 N ATOM 1892 NH2 ARG A 118 123.493 -2.570 -7.861 1.00 0.00 N ATOM 0 H ARG A 118 122.322 -6.396 -12.641 1.00 0.00 H new ATOM 0 HA ARG A 118 124.069 -8.784 -12.226 1.00 0.00 H new ATOM 0 HB2 ARG A 118 125.229 -7.576 -10.362 1.00 0.00 H new ATOM 0 HB3 ARG A 118 125.540 -6.763 -11.883 1.00 0.00 H new ATOM 0 HG2 ARG A 118 123.543 -5.219 -11.343 1.00 0.00 H new ATOM 0 HG3 ARG A 118 123.515 -5.935 -9.744 1.00 0.00 H new ATOM 0 HD2 ARG A 118 125.947 -5.260 -9.429 1.00 0.00 H new ATOM 0 HD3 ARG A 118 125.915 -4.482 -10.999 1.00 0.00 H new ATOM 0 HE ARG A 118 124.554 -2.721 -10.084 1.00 0.00 H new ATOM 0 HH11 ARG A 118 124.538 -5.575 -7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 118 123.672 -4.743 -6.695 1.00 0.00 H new ATOM 0 HH21 ARG A 118 123.462 -1.712 -8.412 1.00 0.00 H new ATOM 0 HH22 ARG A 118 123.074 -2.594 -6.931 1.00 0.00 H new ATOM 1906 N GLU A 119 122.675 -9.399 -10.244 1.00 0.00 N ATOM 1907 CA GLU A 119 121.657 -9.838 -9.241 1.00 0.00 C ATOM 1908 C GLU A 119 122.338 -10.578 -8.085 1.00 0.00 C ATOM 1909 O GLU A 119 123.329 -11.259 -8.274 1.00 0.00 O ATOM 1910 CB GLU A 119 120.726 -10.782 -10.005 1.00 0.00 C ATOM 1911 CG GLU A 119 119.942 -9.990 -11.056 1.00 0.00 C ATOM 1912 CD GLU A 119 118.928 -10.908 -11.747 1.00 0.00 C ATOM 1913 OE1 GLU A 119 117.843 -10.435 -12.048 1.00 0.00 O ATOM 1914 OE2 GLU A 119 119.252 -12.064 -11.969 1.00 0.00 O ATOM 0 H GLU A 119 123.427 -10.067 -10.415 1.00 0.00 H new ATOM 0 HA GLU A 119 121.117 -8.996 -8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 119 121.305 -11.570 -10.486 1.00 0.00 H new ATOM 0 HB3 GLU A 119 120.038 -11.269 -9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 119 119.427 -9.153 -10.585 1.00 0.00 H new ATOM 0 HG3 GLU A 119 120.626 -9.569 -11.793 1.00 0.00 H new ATOM 1921 N LYS A 120 121.810 -10.445 -6.892 1.00 0.00 N ATOM 1922 CA LYS A 120 122.401 -11.158 -5.718 1.00 0.00 C ATOM 1923 C LYS A 120 121.556 -12.386 -5.367 1.00 0.00 C ATOM 1924 O LYS A 120 122.080 -13.433 -5.033 1.00 0.00 O ATOM 1925 CB LYS A 120 122.369 -10.138 -4.576 1.00 0.00 C ATOM 1926 CG LYS A 120 123.669 -9.330 -4.569 1.00 0.00 C ATOM 1927 CD LYS A 120 123.633 -8.291 -5.691 1.00 0.00 C ATOM 1928 CE LYS A 120 124.923 -7.469 -5.667 1.00 0.00 C ATOM 1929 NZ LYS A 120 125.914 -8.287 -6.422 1.00 0.00 N ATOM 0 H LYS A 120 120.993 -9.872 -6.681 1.00 0.00 H new ATOM 0 HA LYS A 120 123.412 -11.514 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 120 121.515 -9.471 -4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 120 122.242 -10.650 -3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 120 123.797 -8.836 -3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 120 124.523 -9.994 -4.702 1.00 0.00 H new ATOM 0 HD2 LYS A 120 123.523 -8.786 -6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 120 122.770 -7.637 -5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 120 124.779 -6.494 -6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 120 125.257 -7.288 -4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 126.843 -8.222 -5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 125.604 -9.280 -6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 125.987 -7.931 -7.396 1.00 0.00 H new ATOM 1943 N ASP A 121 120.253 -12.261 -5.442 1.00 0.00 N ATOM 1944 CA ASP A 121 119.360 -13.415 -5.111 1.00 0.00 C ATOM 1945 C ASP A 121 117.981 -13.224 -5.757 1.00 0.00 C ATOM 1946 O ASP A 121 117.497 -12.104 -5.752 1.00 0.00 O ATOM 1947 CB ASP A 121 119.252 -13.424 -3.577 1.00 0.00 C ATOM 1948 CG ASP A 121 118.691 -12.089 -3.067 1.00 0.00 C ATOM 1949 OD1 ASP A 121 119.366 -11.085 -3.226 1.00 0.00 O ATOM 1950 OD2 ASP A 121 117.596 -12.096 -2.529 1.00 0.00 O ATOM 1951 OXT ASP A 121 117.437 -14.201 -6.244 1.00 0.00 O ATOM 0 H ASP A 121 119.769 -11.407 -5.719 1.00 0.00 H new ATOM 0 HA ASP A 121 119.754 -14.359 -5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 121 118.606 -14.242 -3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 121 120.234 -13.603 -3.139 1.00 0.00 H new TER 1956 ASP A 121