USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 849 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 23 SER OG : rot -170:sc= 0 USER MOD Set 1.2: A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 56 THR OG1 : rot 120:sc= -0.225 USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= -0.94 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.083 (180deg=-0.538) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc=-0.00249 X(o=-0.0025,f=-0.36) USER MOD Single : A 6 HIS : no HD1:sc=-0.00889 X(o=-0.0089,f=-0.0089) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.11 K(o=-0.11,f=-1) USER MOD Single : A 9 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.23) USER MOD Single : A 10 HIS : no HD1:sc= -0.0627 X(o=-0.063,f=-0.25) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.071) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 50:sc= 0.0974 USER MOD Single : A 28 THR OG1 : rot 131:sc= 1.01 USER MOD Single : A 29 SER OG : rot 180:sc= 0.103 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.149 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.49) USER MOD Single : A 39 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.0057) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -122:sc= -0.387 (180deg=-3.28!) USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= -0.0899 (180deg=-0.405) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.204 F(o=-0.76,f=-0.2) USER MOD Single : A 65 LYS NZ :NH3+ -157:sc= -0.309 (180deg=-1) USER MOD Single : A 67 MET CE :methyl 141:sc= -1.73 (180deg=-3.74!) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.192 F(o=-1.1,f=-0.19) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0383 X(o=-0.038,f=0) USER MOD Single : A 89 TYR OH : rot -62:sc= 0.0256 USER MOD Single : A 90 THR OG1 : rot 34:sc= 0.421 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.181 F(o=-1.5,f=-0.18) USER MOD Single : A 105 GLN :FLIP amide:sc= -0.197 F(o=-1.1,f=-0.2) USER MOD Single : A 106 SER OG : rot -60:sc= 0.883 USER MOD Single : A 109 SER OG : rot -7:sc= 0.228! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -51.499 6.738 -11.452 1.00 41.24 N ATOM 2 CA MET A 1 -51.003 6.914 -12.812 1.00 13.51 C ATOM 3 C MET A 1 -51.113 5.615 -13.604 1.00 60.51 C ATOM 4 O MET A 1 -51.798 5.552 -14.623 1.00 2.01 O ATOM 5 CB MET A 1 -49.550 7.390 -12.791 1.00 42.12 C ATOM 6 CG MET A 1 -49.407 8.900 -12.682 1.00 70.13 C ATOM 7 SD MET A 1 -47.722 9.463 -12.997 1.00 32.54 S ATOM 8 CE MET A 1 -47.582 9.144 -14.753 1.00 75.45 C ATOM 0 H1 MET A 1 -51.414 7.635 -10.933 1.00 41.24 H new ATOM 0 H2 MET A 1 -52.497 6.448 -11.481 1.00 41.24 H new ATOM 0 H3 MET A 1 -50.940 6.005 -10.971 1.00 41.24 H new ATOM 0 HA MET A 1 -51.618 7.670 -13.300 1.00 13.51 H new ATOM 0 HB2 MET A 1 -49.035 6.923 -11.951 1.00 42.12 H new ATOM 0 HB3 MET A 1 -49.052 7.051 -13.699 1.00 42.12 H new ATOM 0 HG2 MET A 1 -50.084 9.377 -13.391 1.00 70.13 H new ATOM 0 HG3 MET A 1 -49.712 9.219 -11.685 1.00 70.13 H new ATOM 0 HE1 MET A 1 -46.782 9.755 -15.171 1.00 75.45 H new ATOM 0 HE2 MET A 1 -47.356 8.090 -14.914 1.00 75.45 H new ATOM 0 HE3 MET A 1 -48.523 9.392 -15.244 1.00 75.45 H new ATOM 18 N GLY A 2 -50.431 4.576 -13.126 1.00 43.53 N ATOM 19 CA GLY A 2 -50.465 3.293 -13.802 1.00 61.30 C ATOM 20 C GLY A 2 -51.291 2.266 -13.054 1.00 22.33 C ATOM 21 O GLY A 2 -52.503 2.174 -13.249 1.00 3.33 O ATOM 0 H GLY A 2 -49.857 4.602 -12.283 1.00 43.53 H new ATOM 0 HA2 GLY A 2 -50.874 3.424 -14.804 1.00 61.30 H new ATOM 0 HA3 GLY A 2 -49.447 2.921 -13.920 1.00 61.30 H new ATOM 25 N SER A 3 -50.635 1.490 -12.197 1.00 51.13 N ATOM 26 CA SER A 3 -51.317 0.460 -11.421 1.00 10.40 C ATOM 27 C SER A 3 -51.419 0.866 -9.953 1.00 35.51 C ATOM 28 O SER A 3 -50.489 1.443 -9.391 1.00 0.41 O ATOM 29 CB SER A 3 -50.578 -0.873 -11.544 1.00 53.40 C ATOM 30 OG SER A 3 -50.569 -1.329 -12.886 1.00 60.03 O ATOM 0 H SER A 3 -49.632 1.555 -12.022 1.00 51.13 H new ATOM 0 HA SER A 3 -52.325 0.346 -11.819 1.00 10.40 H new ATOM 0 HB2 SER A 3 -49.554 -0.759 -11.188 1.00 53.40 H new ATOM 0 HB3 SER A 3 -51.056 -1.617 -10.907 1.00 53.40 H new ATOM 0 HG SER A 3 -50.089 -2.182 -12.938 1.00 60.03 H new ATOM 36 N SER A 4 -52.557 0.557 -9.340 1.00 20.22 N ATOM 37 CA SER A 4 -52.785 0.891 -7.938 1.00 41.03 C ATOM 38 C SER A 4 -51.915 0.030 -7.027 1.00 51.13 C ATOM 39 O SER A 4 -51.966 -1.199 -7.081 1.00 62.54 O ATOM 40 CB SER A 4 -54.260 0.704 -7.581 1.00 23.53 C ATOM 41 OG SER A 4 -54.554 1.271 -6.316 1.00 4.33 O ATOM 0 H SER A 4 -53.335 0.076 -9.791 1.00 20.22 H new ATOM 0 HA SER A 4 -52.513 1.936 -7.789 1.00 41.03 H new ATOM 0 HB2 SER A 4 -54.884 1.168 -8.345 1.00 23.53 H new ATOM 0 HB3 SER A 4 -54.504 -0.358 -7.572 1.00 23.53 H new ATOM 0 HG SER A 4 -55.503 1.140 -6.111 1.00 4.33 H new ATOM 47 N HIS A 5 -51.118 0.685 -6.189 1.00 62.31 N ATOM 48 CA HIS A 5 -50.237 -0.020 -5.265 1.00 63.43 C ATOM 49 C HIS A 5 -50.330 0.578 -3.864 1.00 31.45 C ATOM 50 O HIS A 5 -50.690 1.743 -3.697 1.00 0.41 O ATOM 51 CB HIS A 5 -48.791 0.037 -5.760 1.00 21.15 C ATOM 52 CG HIS A 5 -48.158 1.385 -5.607 1.00 12.51 C ATOM 53 ND1 HIS A 5 -48.634 2.517 -6.236 1.00 33.32 N ATOM 54 CD2 HIS A 5 -47.081 1.781 -4.890 1.00 65.32 C ATOM 55 CE1 HIS A 5 -47.877 3.549 -5.913 1.00 53.35 C ATOM 56 NE2 HIS A 5 -46.927 3.130 -5.097 1.00 44.34 N ATOM 0 H HIS A 5 -51.064 1.702 -6.131 1.00 62.31 H new ATOM 0 HA HIS A 5 -50.557 -1.061 -5.220 1.00 63.43 H new ATOM 0 HB2 HIS A 5 -48.199 -0.697 -5.213 1.00 21.15 H new ATOM 0 HB3 HIS A 5 -48.764 -0.251 -6.811 1.00 21.15 H new ATOM 0 HD2 HIS A 5 -46.458 1.153 -4.270 1.00 65.32 H new ATOM 0 HE1 HIS A 5 -48.012 4.564 -6.258 1.00 53.35 H new ATOM 0 HE2 HIS A 5 -46.198 3.713 -4.687 1.00 44.34 H new ATOM 65 N HIS A 6 -50.004 -0.229 -2.858 1.00 32.22 N ATOM 66 CA HIS A 6 -50.052 0.220 -1.471 1.00 60.43 C ATOM 67 C HIS A 6 -48.790 -0.197 -0.722 1.00 20.55 C ATOM 68 O HIS A 6 -48.235 -1.269 -0.969 1.00 43.42 O ATOM 69 CB HIS A 6 -51.287 -0.349 -0.771 1.00 44.54 C ATOM 70 CG HIS A 6 -51.498 0.197 0.607 1.00 5.54 C ATOM 71 ND1 HIS A 6 -51.839 -0.592 1.686 1.00 53.14 N ATOM 72 CD2 HIS A 6 -51.414 1.463 1.081 1.00 70.30 C ATOM 73 CE1 HIS A 6 -51.956 0.164 2.762 1.00 42.51 C ATOM 74 NE2 HIS A 6 -51.703 1.415 2.423 1.00 54.43 N ATOM 0 H HIS A 6 -49.704 -1.196 -2.978 1.00 32.22 H new ATOM 0 HA HIS A 6 -50.112 1.308 -1.468 1.00 60.43 H new ATOM 0 HB2 HIS A 6 -52.168 -0.136 -1.376 1.00 44.54 H new ATOM 0 HB3 HIS A 6 -51.195 -1.434 -0.713 1.00 44.54 H new ATOM 0 HD2 HIS A 6 -51.166 2.346 0.510 1.00 70.30 H new ATOM 0 HE1 HIS A 6 -52.215 -0.182 3.752 1.00 42.51 H new ATOM 0 HE2 HIS A 6 -51.720 2.215 3.055 1.00 54.43 H new ATOM 83 N HIS A 7 -48.343 0.656 0.195 1.00 54.32 N ATOM 84 CA HIS A 7 -47.146 0.376 0.980 1.00 30.14 C ATOM 85 C HIS A 7 -47.471 -0.538 2.157 1.00 34.52 C ATOM 86 O HIS A 7 -47.779 -0.070 3.253 1.00 21.54 O ATOM 87 CB HIS A 7 -46.526 1.678 1.486 1.00 5.43 C ATOM 88 CG HIS A 7 -46.150 2.628 0.391 1.00 4.24 C ATOM 89 ND1 HIS A 7 -46.847 3.790 0.131 1.00 64.44 N ATOM 90 CD2 HIS A 7 -45.143 2.584 -0.512 1.00 61.00 C ATOM 91 CE1 HIS A 7 -46.284 4.419 -0.886 1.00 21.31 C ATOM 92 NE2 HIS A 7 -45.249 3.708 -1.294 1.00 44.33 N ATOM 0 H HIS A 7 -48.791 1.546 0.412 1.00 54.32 H new ATOM 0 HA HIS A 7 -46.429 -0.132 0.335 1.00 30.14 H new ATOM 0 HB2 HIS A 7 -47.231 2.170 2.156 1.00 5.43 H new ATOM 0 HB3 HIS A 7 -45.638 1.444 2.073 1.00 5.43 H new ATOM 0 HD2 HIS A 7 -44.396 1.810 -0.601 1.00 61.00 H new ATOM 0 HE1 HIS A 7 -46.614 5.355 -1.311 1.00 21.31 H new ATOM 0 HE2 HIS A 7 -44.628 3.954 -2.065 1.00 44.33 H new ATOM 101 N HIS A 8 -47.400 -1.845 1.922 1.00 23.22 N ATOM 102 CA HIS A 8 -47.687 -2.825 2.964 1.00 35.22 C ATOM 103 C HIS A 8 -46.411 -3.535 3.409 1.00 14.04 C ATOM 104 O HIS A 8 -46.307 -3.989 4.549 1.00 54.14 O ATOM 105 CB HIS A 8 -48.707 -3.849 2.464 1.00 72.12 C ATOM 106 CG HIS A 8 -48.291 -4.539 1.200 1.00 11.21 C ATOM 107 ND1 HIS A 8 -47.417 -5.605 1.177 1.00 53.45 N ATOM 108 CD2 HIS A 8 -48.638 -4.310 -0.088 1.00 71.54 C ATOM 109 CE1 HIS A 8 -47.242 -6.000 -0.072 1.00 23.55 C ATOM 110 NE2 HIS A 8 -47.972 -5.232 -0.859 1.00 1.32 N ATOM 0 H HIS A 8 -47.147 -2.249 1.021 1.00 23.22 H new ATOM 0 HA HIS A 8 -48.105 -2.296 3.821 1.00 35.22 H new ATOM 0 HB2 HIS A 8 -48.870 -4.597 3.240 1.00 72.12 H new ATOM 0 HB3 HIS A 8 -49.661 -3.349 2.298 1.00 72.12 H new ATOM 0 HD2 HIS A 8 -49.313 -3.545 -0.444 1.00 71.54 H new ATOM 0 HE1 HIS A 8 -46.609 -6.813 -0.394 1.00 23.55 H new ATOM 0 HE2 HIS A 8 -48.032 -5.310 -1.874 1.00 1.32 H new ATOM 119 N HIS A 9 -45.445 -3.628 2.501 1.00 64.03 N ATOM 120 CA HIS A 9 -44.176 -4.282 2.800 1.00 50.00 C ATOM 121 C HIS A 9 -43.054 -3.257 2.932 1.00 71.43 C ATOM 122 O HIS A 9 -43.207 -2.100 2.541 1.00 13.21 O ATOM 123 CB HIS A 9 -43.832 -5.296 1.709 1.00 74.11 C ATOM 124 CG HIS A 9 -42.877 -6.359 2.158 1.00 13.05 C ATOM 125 ND1 HIS A 9 -43.207 -7.320 3.091 1.00 72.34 N ATOM 126 CD2 HIS A 9 -41.598 -6.611 1.796 1.00 61.35 C ATOM 127 CE1 HIS A 9 -42.170 -8.116 3.284 1.00 4.20 C ATOM 128 NE2 HIS A 9 -41.181 -7.707 2.510 1.00 65.32 N ATOM 0 H HIS A 9 -45.517 -3.259 1.553 1.00 64.03 H new ATOM 0 HA HIS A 9 -44.279 -4.804 3.751 1.00 50.00 H new ATOM 0 HB2 HIS A 9 -44.751 -5.768 1.361 1.00 74.11 H new ATOM 0 HB3 HIS A 9 -43.402 -4.769 0.857 1.00 74.11 H new ATOM 0 HD2 HIS A 9 -41.014 -6.054 1.079 1.00 61.35 H new ATOM 0 HE1 HIS A 9 -42.137 -8.958 3.960 1.00 4.20 H new ATOM 0 HE2 HIS A 9 -40.257 -8.136 2.452 1.00 65.32 H new ATOM 137 N HIS A 10 -41.926 -3.690 3.485 1.00 62.10 N ATOM 138 CA HIS A 10 -40.777 -2.810 3.669 1.00 32.32 C ATOM 139 C HIS A 10 -39.902 -2.792 2.419 1.00 43.34 C ATOM 140 O HIS A 10 -38.822 -3.383 2.397 1.00 70.33 O ATOM 141 CB HIS A 10 -39.953 -3.257 4.876 1.00 23.23 C ATOM 142 CG HIS A 10 -40.644 -3.037 6.188 1.00 53.43 C ATOM 143 ND1 HIS A 10 -41.567 -2.033 6.392 1.00 23.32 N ATOM 144 CD2 HIS A 10 -40.544 -3.700 7.362 1.00 25.51 C ATOM 145 CE1 HIS A 10 -42.003 -2.087 7.638 1.00 25.42 C ATOM 146 NE2 HIS A 10 -41.398 -3.090 8.249 1.00 73.31 N ATOM 0 H HIS A 10 -41.783 -4.645 3.814 1.00 62.10 H new ATOM 0 HA HIS A 10 -41.148 -1.801 3.847 1.00 32.32 H new ATOM 0 HB2 HIS A 10 -39.717 -4.316 4.772 1.00 23.23 H new ATOM 0 HB3 HIS A 10 -39.006 -2.718 4.879 1.00 23.23 H new ATOM 0 HD2 HIS A 10 -39.911 -4.551 7.565 1.00 25.51 H new ATOM 0 HE1 HIS A 10 -42.731 -1.424 8.082 1.00 25.42 H new ATOM 0 HE2 HIS A 10 -41.541 -3.366 9.220 1.00 73.31 H new ATOM 155 N SER A 11 -40.374 -2.110 1.381 1.00 42.10 N ATOM 156 CA SER A 11 -39.637 -2.019 0.126 1.00 22.41 C ATOM 157 C SER A 11 -38.502 -1.004 0.236 1.00 15.13 C ATOM 158 O SER A 11 -38.513 -0.135 1.107 1.00 13.04 O ATOM 159 CB SER A 11 -40.577 -1.629 -1.016 1.00 3.35 C ATOM 160 OG SER A 11 -41.301 -0.452 -0.700 1.00 73.21 O ATOM 0 H SER A 11 -41.264 -1.612 1.384 1.00 42.10 H new ATOM 0 HA SER A 11 -39.207 -2.998 -0.086 1.00 22.41 H new ATOM 0 HB2 SER A 11 -40.001 -1.472 -1.928 1.00 3.35 H new ATOM 0 HB3 SER A 11 -41.272 -2.445 -1.214 1.00 3.35 H new ATOM 0 HG SER A 11 -41.894 -0.222 -1.446 1.00 73.21 H new ATOM 166 N SER A 12 -37.523 -1.122 -0.656 1.00 15.03 N ATOM 167 CA SER A 12 -36.379 -0.219 -0.659 1.00 20.01 C ATOM 168 C SER A 12 -35.603 -0.322 0.650 1.00 4.52 C ATOM 169 O SER A 12 -35.220 0.689 1.239 1.00 71.12 O ATOM 170 CB SER A 12 -36.842 1.223 -0.879 1.00 52.25 C ATOM 171 OG SER A 12 -37.725 1.312 -1.984 1.00 45.12 O ATOM 0 H SER A 12 -37.500 -1.834 -1.386 1.00 15.03 H new ATOM 0 HA SER A 12 -35.719 -0.510 -1.476 1.00 20.01 H new ATOM 0 HB2 SER A 12 -37.340 1.589 0.019 1.00 52.25 H new ATOM 0 HB3 SER A 12 -35.977 1.864 -1.048 1.00 52.25 H new ATOM 0 HG SER A 12 -38.008 2.243 -2.103 1.00 45.12 H new ATOM 177 N GLY A 13 -35.373 -1.552 1.100 1.00 1.02 N ATOM 178 CA GLY A 13 -34.644 -1.766 2.336 1.00 3.01 C ATOM 179 C GLY A 13 -33.271 -1.123 2.318 1.00 15.50 C ATOM 180 O GLY A 13 -32.389 -1.549 1.573 1.00 55.54 O ATOM 0 H GLY A 13 -35.679 -2.404 0.630 1.00 1.02 H new ATOM 0 HA2 GLY A 13 -35.220 -1.362 3.169 1.00 3.01 H new ATOM 0 HA3 GLY A 13 -34.538 -2.837 2.511 1.00 3.01 H new ATOM 184 N LEU A 14 -33.090 -0.095 3.139 1.00 11.41 N ATOM 185 CA LEU A 14 -31.815 0.610 3.213 1.00 21.45 C ATOM 186 C LEU A 14 -30.986 0.112 4.393 1.00 22.44 C ATOM 187 O LEU A 14 -31.498 -0.568 5.283 1.00 71.31 O ATOM 188 CB LEU A 14 -32.048 2.116 3.340 1.00 3.22 C ATOM 189 CG LEU A 14 -32.752 2.788 2.159 1.00 65.14 C ATOM 190 CD1 LEU A 14 -33.074 4.237 2.486 1.00 53.45 C ATOM 191 CD2 LEU A 14 -31.892 2.700 0.907 1.00 61.31 C ATOM 0 H LEU A 14 -33.810 0.269 3.763 1.00 11.41 H new ATOM 0 HA LEU A 14 -31.264 0.410 2.294 1.00 21.45 H new ATOM 0 HB2 LEU A 14 -32.636 2.298 4.239 1.00 3.22 H new ATOM 0 HB3 LEU A 14 -31.083 2.602 3.486 1.00 3.22 H new ATOM 0 HG LEU A 14 -33.688 2.263 1.970 1.00 65.14 H new ATOM 0 HD11 LEU A 14 -33.574 4.699 1.635 1.00 53.45 H new ATOM 0 HD12 LEU A 14 -33.728 4.277 3.357 1.00 53.45 H new ATOM 0 HD13 LEU A 14 -32.151 4.775 2.701 1.00 53.45 H new ATOM 0 HD21 LEU A 14 -32.408 3.183 0.077 1.00 61.31 H new ATOM 0 HD22 LEU A 14 -30.940 3.201 1.083 1.00 61.31 H new ATOM 0 HD23 LEU A 14 -31.711 1.653 0.663 1.00 61.31 H new ATOM 203 N VAL A 15 -29.702 0.455 4.394 1.00 20.12 N ATOM 204 CA VAL A 15 -28.802 0.045 5.466 1.00 40.05 C ATOM 205 C VAL A 15 -28.230 1.255 6.196 1.00 52.34 C ATOM 206 O VAL A 15 -28.157 2.360 5.656 1.00 20.23 O ATOM 207 CB VAL A 15 -27.641 -0.811 4.927 1.00 3.02 C ATOM 208 CG1 VAL A 15 -28.108 -2.233 4.654 1.00 60.13 C ATOM 209 CG2 VAL A 15 -27.053 -0.183 3.673 1.00 13.21 C ATOM 0 H VAL A 15 -29.261 1.016 3.665 1.00 20.12 H new ATOM 0 HA VAL A 15 -29.391 -0.552 6.163 1.00 40.05 H new ATOM 0 HB VAL A 15 -26.859 -0.851 5.685 1.00 3.02 H new ATOM 0 HG11 VAL A 15 -27.274 -2.823 4.274 1.00 60.13 H new ATOM 0 HG12 VAL A 15 -28.476 -2.679 5.578 1.00 60.13 H new ATOM 0 HG13 VAL A 15 -28.909 -2.217 3.914 1.00 60.13 H new ATOM 0 HG21 VAL A 15 -26.234 -0.801 3.306 1.00 13.21 H new ATOM 0 HG22 VAL A 15 -27.824 -0.110 2.906 1.00 13.21 H new ATOM 0 HG23 VAL A 15 -26.679 0.814 3.906 1.00 13.21 H new ATOM 219 N PRO A 16 -27.814 1.046 7.454 1.00 75.24 N ATOM 220 CA PRO A 16 -27.240 2.108 8.285 1.00 65.34 C ATOM 221 C PRO A 16 -25.862 2.545 7.797 1.00 23.11 C ATOM 222 O PRO A 16 -25.303 1.953 6.874 1.00 24.11 O ATOM 223 CB PRO A 16 -27.136 1.459 9.667 1.00 24.32 C ATOM 224 CG PRO A 16 -27.046 -0.003 9.395 1.00 51.23 C ATOM 225 CD PRO A 16 -27.870 -0.245 8.160 1.00 2.24 C ATOM 0 HA PRO A 16 -27.848 3.013 8.268 1.00 65.34 H new ATOM 0 HB2 PRO A 16 -26.259 1.816 10.207 1.00 24.32 H new ATOM 0 HB3 PRO A 16 -28.005 1.694 10.281 1.00 24.32 H new ATOM 0 HG2 PRO A 16 -26.011 -0.308 9.240 1.00 51.23 H new ATOM 0 HG3 PRO A 16 -27.426 -0.581 10.237 1.00 51.23 H new ATOM 0 HD2 PRO A 16 -27.459 -1.052 7.554 1.00 2.24 H new ATOM 0 HD3 PRO A 16 -28.894 -0.523 8.408 1.00 2.24 H new ATOM 233 N ARG A 17 -25.321 3.585 8.423 1.00 3.11 N ATOM 234 CA ARG A 17 -24.010 4.102 8.052 1.00 63.34 C ATOM 235 C ARG A 17 -23.049 4.051 9.237 1.00 5.05 C ATOM 236 O ARG A 17 -23.023 4.959 10.067 1.00 42.51 O ATOM 237 CB ARG A 17 -24.129 5.539 7.540 1.00 23.43 C ATOM 238 CG ARG A 17 -22.927 6.000 6.735 1.00 43.04 C ATOM 239 CD ARG A 17 -23.152 7.382 6.141 1.00 75.43 C ATOM 240 NE ARG A 17 -22.140 7.720 5.142 1.00 4.43 N ATOM 241 CZ ARG A 17 -22.307 8.655 4.214 1.00 12.54 C ATOM 242 NH1 ARG A 17 -23.440 9.342 4.156 1.00 35.23 N ATOM 243 NH2 ARG A 17 -21.340 8.905 3.340 1.00 44.00 N ATOM 0 H ARG A 17 -25.771 4.086 9.189 1.00 3.11 H new ATOM 0 HA ARG A 17 -23.612 3.472 7.256 1.00 63.34 H new ATOM 0 HB2 ARG A 17 -25.023 5.623 6.922 1.00 23.43 H new ATOM 0 HB3 ARG A 17 -24.265 6.208 8.390 1.00 23.43 H new ATOM 0 HG2 ARG A 17 -22.044 6.017 7.374 1.00 43.04 H new ATOM 0 HG3 ARG A 17 -22.728 5.287 5.935 1.00 43.04 H new ATOM 0 HD2 ARG A 17 -24.141 7.424 5.684 1.00 75.43 H new ATOM 0 HD3 ARG A 17 -23.138 8.126 6.938 1.00 75.43 H new ATOM 0 HE ARG A 17 -21.257 7.210 5.159 1.00 4.43 H new ATOM 0 HH11 ARG A 17 -24.186 9.153 4.825 1.00 35.23 H new ATOM 0 HH12 ARG A 17 -23.565 10.060 3.442 1.00 35.23 H new ATOM 0 HH21 ARG A 17 -20.467 8.379 3.381 1.00 44.00 H new ATOM 0 HH22 ARG A 17 -21.470 9.623 2.628 1.00 44.00 H new ATOM 257 N GLY A 18 -22.263 2.982 9.311 1.00 52.21 N ATOM 258 CA GLY A 18 -21.313 2.833 10.398 1.00 60.31 C ATOM 259 C GLY A 18 -20.398 1.639 10.209 1.00 5.21 C ATOM 260 O GLY A 18 -20.773 0.507 10.514 1.00 23.45 O ATOM 0 H GLY A 18 -22.267 2.216 8.637 1.00 52.21 H new ATOM 0 HA2 GLY A 18 -20.712 3.739 10.478 1.00 60.31 H new ATOM 0 HA3 GLY A 18 -21.855 2.727 11.338 1.00 60.31 H new ATOM 264 N SER A 19 -19.196 1.892 9.703 1.00 71.45 N ATOM 265 CA SER A 19 -18.226 0.828 9.469 1.00 11.10 C ATOM 266 C SER A 19 -16.896 1.401 8.991 1.00 75.13 C ATOM 267 O SER A 19 -16.835 2.522 8.485 1.00 43.21 O ATOM 268 CB SER A 19 -18.767 -0.165 8.438 1.00 52.32 C ATOM 269 OG SER A 19 -19.533 0.496 7.445 1.00 45.24 O ATOM 0 H SER A 19 -18.870 2.824 9.447 1.00 71.45 H new ATOM 0 HA SER A 19 -18.059 0.308 10.412 1.00 11.10 H new ATOM 0 HB2 SER A 19 -17.938 -0.695 7.969 1.00 52.32 H new ATOM 0 HB3 SER A 19 -19.382 -0.914 8.938 1.00 52.32 H new ATOM 0 HG SER A 19 -19.866 -0.160 6.798 1.00 45.24 H new ATOM 275 N HIS A 20 -15.830 0.623 9.154 1.00 12.43 N ATOM 276 CA HIS A 20 -14.499 1.052 8.740 1.00 32.02 C ATOM 277 C HIS A 20 -14.509 1.525 7.288 1.00 64.40 C ATOM 278 O HIS A 20 -14.936 0.799 6.392 1.00 20.32 O ATOM 279 CB HIS A 20 -13.497 -0.090 8.910 1.00 53.33 C ATOM 280 CG HIS A 20 -12.101 0.376 9.190 1.00 75.14 C ATOM 281 ND1 HIS A 20 -11.017 -0.476 9.226 1.00 63.13 N ATOM 282 CD2 HIS A 20 -11.615 1.613 9.445 1.00 74.01 C ATOM 283 CE1 HIS A 20 -9.924 0.218 9.495 1.00 35.12 C ATOM 284 NE2 HIS A 20 -10.260 1.488 9.630 1.00 63.40 N ATOM 0 H HIS A 20 -15.862 -0.308 9.570 1.00 12.43 H new ATOM 0 HA HIS A 20 -14.198 1.886 9.374 1.00 32.02 H new ATOM 0 HB2 HIS A 20 -13.827 -0.734 9.725 1.00 53.33 H new ATOM 0 HB3 HIS A 20 -13.494 -0.698 8.005 1.00 53.33 H new ATOM 0 HD2 HIS A 20 -12.186 2.528 9.494 1.00 74.01 H new ATOM 0 HE1 HIS A 20 -8.926 -0.185 9.588 1.00 35.12 H new ATOM 0 HE2 HIS A 20 -9.617 2.252 9.838 1.00 63.40 H new ATOM 293 N MET A 21 -14.034 2.746 7.067 1.00 24.21 N ATOM 294 CA MET A 21 -13.988 3.315 5.726 1.00 53.52 C ATOM 295 C MET A 21 -12.563 3.306 5.180 1.00 3.21 C ATOM 296 O MET A 21 -12.308 2.786 4.094 1.00 54.24 O ATOM 297 CB MET A 21 -14.533 4.745 5.735 1.00 61.31 C ATOM 298 CG MET A 21 -16.014 4.828 6.069 1.00 33.54 C ATOM 299 SD MET A 21 -16.817 6.255 5.316 1.00 62.20 S ATOM 300 CE MET A 21 -18.226 5.476 4.532 1.00 0.44 C ATOM 0 H MET A 21 -13.676 3.360 7.799 1.00 24.21 H new ATOM 0 HA MET A 21 -14.612 2.700 5.077 1.00 53.52 H new ATOM 0 HB2 MET A 21 -13.972 5.335 6.460 1.00 61.31 H new ATOM 0 HB3 MET A 21 -14.363 5.196 4.757 1.00 61.31 H new ATOM 0 HG2 MET A 21 -16.510 3.918 5.732 1.00 33.54 H new ATOM 0 HG3 MET A 21 -16.136 4.876 7.151 1.00 33.54 H new ATOM 0 HE1 MET A 21 -18.823 6.232 4.022 1.00 0.44 H new ATOM 0 HE2 MET A 21 -17.878 4.739 3.808 1.00 0.44 H new ATOM 0 HE3 MET A 21 -18.836 4.982 5.288 1.00 0.44 H new ATOM 310 N ILE A 22 -11.640 3.885 5.941 1.00 51.44 N ATOM 311 CA ILE A 22 -10.241 3.943 5.533 1.00 15.01 C ATOM 312 C ILE A 22 -9.312 3.712 6.720 1.00 22.14 C ATOM 313 O ILE A 22 -9.544 4.232 7.812 1.00 71.33 O ATOM 314 CB ILE A 22 -9.899 5.296 4.883 1.00 0.13 C ATOM 315 CG1 ILE A 22 -8.491 5.259 4.288 1.00 54.04 C ATOM 316 CG2 ILE A 22 -10.020 6.419 5.904 1.00 73.15 C ATOM 317 CD1 ILE A 22 -8.096 6.542 3.589 1.00 54.20 C ATOM 0 H ILE A 22 -11.835 4.320 6.843 1.00 51.44 H new ATOM 0 HA ILE A 22 -10.094 3.150 4.800 1.00 15.01 H new ATOM 0 HB ILE A 22 -10.608 5.486 4.077 1.00 0.13 H new ATOM 0 HG12 ILE A 22 -7.775 5.053 5.083 1.00 54.04 H new ATOM 0 HG13 ILE A 22 -8.427 4.434 3.579 1.00 54.04 H new ATOM 0 HG21 ILE A 22 -9.775 7.370 5.430 1.00 73.15 H new ATOM 0 HG22 ILE A 22 -11.041 6.456 6.285 1.00 73.15 H new ATOM 0 HG23 ILE A 22 -9.331 6.237 6.729 1.00 73.15 H new ATOM 0 HD11 ILE A 22 -7.086 6.444 3.192 1.00 54.20 H new ATOM 0 HD12 ILE A 22 -8.790 6.740 2.772 1.00 54.20 H new ATOM 0 HD13 ILE A 22 -8.128 7.368 4.299 1.00 54.20 H new ATOM 329 N SER A 23 -8.261 2.931 6.498 1.00 24.53 N ATOM 330 CA SER A 23 -7.297 2.629 7.551 1.00 63.42 C ATOM 331 C SER A 23 -6.255 3.737 7.666 1.00 70.31 C ATOM 332 O SER A 23 -5.070 3.521 7.406 1.00 33.21 O ATOM 333 CB SER A 23 -6.608 1.292 7.272 1.00 23.30 C ATOM 334 OG SER A 23 -5.760 0.922 8.346 1.00 2.20 O ATOM 0 H SER A 23 -8.054 2.495 5.599 1.00 24.53 H new ATOM 0 HA SER A 23 -7.836 2.561 8.496 1.00 63.42 H new ATOM 0 HB2 SER A 23 -7.359 0.518 7.114 1.00 23.30 H new ATOM 0 HB3 SER A 23 -6.026 1.364 6.353 1.00 23.30 H new ATOM 0 HG SER A 23 -5.214 0.153 8.081 1.00 2.20 H new ATOM 340 N LEU A 24 -6.703 4.924 8.059 1.00 11.31 N ATOM 341 CA LEU A 24 -5.810 6.067 8.209 1.00 3.43 C ATOM 342 C LEU A 24 -4.651 5.734 9.142 1.00 63.01 C ATOM 343 O LEU A 24 -3.569 6.313 9.037 1.00 52.40 O ATOM 344 CB LEU A 24 -6.582 7.274 8.748 1.00 40.04 C ATOM 345 CG LEU A 24 -5.884 8.629 8.620 1.00 74.43 C ATOM 346 CD1 LEU A 24 -6.123 9.225 7.241 1.00 64.50 C ATOM 347 CD2 LEU A 24 -6.363 9.581 9.706 1.00 0.01 C ATOM 0 H LEU A 24 -7.679 5.120 8.280 1.00 11.31 H new ATOM 0 HA LEU A 24 -5.404 6.311 7.227 1.00 3.43 H new ATOM 0 HB2 LEU A 24 -7.538 7.330 8.228 1.00 40.04 H new ATOM 0 HB3 LEU A 24 -6.801 7.099 9.801 1.00 40.04 H new ATOM 0 HG LEU A 24 -4.812 8.477 8.746 1.00 74.43 H new ATOM 0 HD11 LEU A 24 -5.619 10.189 7.169 1.00 64.50 H new ATOM 0 HD12 LEU A 24 -5.729 8.551 6.480 1.00 64.50 H new ATOM 0 HD13 LEU A 24 -7.193 9.363 7.085 1.00 64.50 H new ATOM 0 HD21 LEU A 24 -5.856 10.540 9.599 1.00 0.01 H new ATOM 0 HD22 LEU A 24 -7.439 9.728 9.613 1.00 0.01 H new ATOM 0 HD23 LEU A 24 -6.138 9.159 10.685 1.00 0.01 H new ATOM 359 N SER A 25 -4.882 4.795 10.054 1.00 2.14 N ATOM 360 CA SER A 25 -3.858 4.385 11.007 1.00 35.11 C ATOM 361 C SER A 25 -3.107 3.157 10.501 1.00 62.11 C ATOM 362 O SER A 25 -3.596 2.032 10.599 1.00 71.11 O ATOM 363 CB SER A 25 -4.488 4.086 12.369 1.00 45.52 C ATOM 364 OG SER A 25 -5.677 3.330 12.226 1.00 13.23 O ATOM 0 H SER A 25 -5.770 4.304 10.153 1.00 2.14 H new ATOM 0 HA SER A 25 -3.148 5.205 11.116 1.00 35.11 H new ATOM 0 HB2 SER A 25 -3.778 3.539 12.989 1.00 45.52 H new ATOM 0 HB3 SER A 25 -4.708 5.021 12.885 1.00 45.52 H new ATOM 0 HG SER A 25 -5.509 2.564 11.639 1.00 13.23 H new ATOM 370 N GLY A 26 -1.913 3.382 9.959 1.00 5.11 N ATOM 371 CA GLY A 26 -1.113 2.286 9.447 1.00 73.14 C ATOM 372 C GLY A 26 0.146 2.056 10.260 1.00 53.53 C ATOM 373 O GLY A 26 1.113 2.810 10.147 1.00 70.34 O ATOM 0 H GLY A 26 -1.487 4.304 9.866 1.00 5.11 H new ATOM 0 HA2 GLY A 26 -1.711 1.375 9.444 1.00 73.14 H new ATOM 0 HA3 GLY A 26 -0.841 2.492 8.412 1.00 73.14 H new ATOM 377 N LEU A 27 0.133 1.014 11.084 1.00 41.52 N ATOM 378 CA LEU A 27 1.282 0.688 11.922 1.00 42.24 C ATOM 379 C LEU A 27 1.900 -0.642 11.503 1.00 62.52 C ATOM 380 O LEU A 27 2.739 -1.201 12.213 1.00 2.32 O ATOM 381 CB LEU A 27 0.866 0.631 13.392 1.00 71.41 C ATOM 382 CG LEU A 27 -0.036 -0.539 13.789 1.00 74.42 C ATOM 383 CD1 LEU A 27 0.174 -0.903 15.251 1.00 71.43 C ATOM 384 CD2 LEU A 27 -1.496 -0.199 13.527 1.00 34.34 C ATOM 0 H LEU A 27 -0.660 0.381 11.190 1.00 41.52 H new ATOM 0 HA LEU A 27 2.029 1.471 11.794 1.00 42.24 H new ATOM 0 HB2 LEU A 27 1.768 0.592 14.003 1.00 71.41 H new ATOM 0 HB3 LEU A 27 0.353 1.560 13.640 1.00 71.41 H new ATOM 0 HG LEU A 27 0.231 -1.402 13.179 1.00 74.42 H new ATOM 0 HD11 LEU A 27 -0.476 -1.737 15.515 1.00 71.43 H new ATOM 0 HD12 LEU A 27 1.214 -1.189 15.409 1.00 71.43 H new ATOM 0 HD13 LEU A 27 -0.065 -0.044 15.878 1.00 71.43 H new ATOM 0 HD21 LEU A 27 -2.123 -1.042 13.815 1.00 34.34 H new ATOM 0 HD22 LEU A 27 -1.776 0.678 14.111 1.00 34.34 H new ATOM 0 HD23 LEU A 27 -1.636 0.012 12.467 1.00 34.34 H new ATOM 396 N THR A 28 1.484 -1.144 10.346 1.00 74.33 N ATOM 397 CA THR A 28 1.998 -2.408 9.832 1.00 32.43 C ATOM 398 C THR A 28 3.410 -2.247 9.284 1.00 44.51 C ATOM 399 O THR A 28 3.946 -1.139 9.242 1.00 63.11 O ATOM 400 CB THR A 28 1.091 -2.974 8.723 1.00 13.10 C ATOM 401 OG1 THR A 28 1.019 -2.050 7.631 1.00 11.14 O ATOM 402 CG2 THR A 28 -0.308 -3.247 9.254 1.00 32.54 C ATOM 0 H THR A 28 0.792 -0.695 9.746 1.00 74.33 H new ATOM 0 HA THR A 28 2.014 -3.105 10.670 1.00 32.43 H new ATOM 0 HB THR A 28 1.521 -3.914 8.377 1.00 13.10 H new ATOM 0 HG1 THR A 28 1.184 -2.525 6.790 1.00 11.14 H new ATOM 0 HG21 THR A 28 -0.930 -3.646 8.453 1.00 32.54 H new ATOM 0 HG22 THR A 28 -0.254 -3.972 10.066 1.00 32.54 H new ATOM 0 HG23 THR A 28 -0.744 -2.319 9.624 1.00 32.54 H new ATOM 410 N SER A 29 4.009 -3.357 8.864 1.00 3.55 N ATOM 411 CA SER A 29 5.362 -3.336 8.322 1.00 35.12 C ATOM 412 C SER A 29 5.445 -2.424 7.102 1.00 30.51 C ATOM 413 O SER A 29 4.470 -1.767 6.737 1.00 3.11 O ATOM 414 CB SER A 29 5.803 -4.752 7.944 1.00 23.10 C ATOM 415 OG SER A 29 7.194 -4.799 7.680 1.00 73.23 O ATOM 0 H SER A 29 3.579 -4.281 8.889 1.00 3.55 H new ATOM 0 HA SER A 29 6.029 -2.947 9.091 1.00 35.12 H new ATOM 0 HB2 SER A 29 5.560 -5.440 8.753 1.00 23.10 H new ATOM 0 HB3 SER A 29 5.251 -5.086 7.065 1.00 23.10 H new ATOM 0 HG SER A 29 7.451 -5.714 7.443 1.00 73.23 H new ATOM 421 N SER A 30 6.617 -2.389 6.475 1.00 32.12 N ATOM 422 CA SER A 30 6.830 -1.555 5.298 1.00 32.54 C ATOM 423 C SER A 30 6.925 -2.409 4.037 1.00 15.44 C ATOM 424 O SER A 30 6.957 -3.637 4.106 1.00 33.02 O ATOM 425 CB SER A 30 8.102 -0.722 5.462 1.00 74.11 C ATOM 426 OG SER A 30 8.006 0.502 4.752 1.00 33.31 O ATOM 0 H SER A 30 7.433 -2.929 6.763 1.00 32.12 H new ATOM 0 HA SER A 30 5.976 -0.885 5.197 1.00 32.54 H new ATOM 0 HB2 SER A 30 8.274 -0.520 6.519 1.00 74.11 H new ATOM 0 HB3 SER A 30 8.961 -1.289 5.102 1.00 74.11 H new ATOM 0 HG SER A 30 8.831 1.017 4.874 1.00 33.31 H new ATOM 432 N VAL A 31 6.969 -1.748 2.885 1.00 15.51 N ATOM 433 CA VAL A 31 7.062 -2.444 1.607 1.00 54.22 C ATOM 434 C VAL A 31 6.241 -3.729 1.621 1.00 54.34 C ATOM 435 O VAL A 31 6.696 -4.771 1.152 1.00 34.31 O ATOM 436 CB VAL A 31 8.523 -2.784 1.258 1.00 2.34 C ATOM 437 CG1 VAL A 31 9.339 -1.513 1.077 1.00 73.21 C ATOM 438 CG2 VAL A 31 9.134 -3.670 2.332 1.00 33.43 C ATOM 0 H VAL A 31 6.942 -0.731 2.810 1.00 15.51 H new ATOM 0 HA VAL A 31 6.663 -1.770 0.849 1.00 54.22 H new ATOM 0 HB VAL A 31 8.535 -3.332 0.316 1.00 2.34 H new ATOM 0 HG11 VAL A 31 10.368 -1.773 0.831 1.00 73.21 H new ATOM 0 HG12 VAL A 31 8.912 -0.918 0.269 1.00 73.21 H new ATOM 0 HG13 VAL A 31 9.322 -0.935 2.001 1.00 73.21 H new ATOM 0 HG21 VAL A 31 10.166 -3.901 2.069 1.00 33.43 H new ATOM 0 HG22 VAL A 31 9.111 -3.150 3.290 1.00 33.43 H new ATOM 0 HG23 VAL A 31 8.564 -4.596 2.408 1.00 33.43 H new ATOM 448 N GLU A 32 5.030 -3.645 2.161 1.00 15.12 N ATOM 449 CA GLU A 32 4.146 -4.802 2.236 1.00 75.32 C ATOM 450 C GLU A 32 3.457 -5.047 0.896 1.00 32.53 C ATOM 451 O GLU A 32 2.997 -6.155 0.616 1.00 4.24 O ATOM 452 CB GLU A 32 3.098 -4.601 3.332 1.00 33.43 C ATOM 453 CG GLU A 32 2.171 -3.424 3.079 1.00 25.04 C ATOM 454 CD GLU A 32 1.153 -3.234 4.188 1.00 62.42 C ATOM 455 OE1 GLU A 32 0.212 -4.050 4.274 1.00 21.34 O ATOM 456 OE2 GLU A 32 1.299 -2.270 4.968 1.00 24.01 O ATOM 0 H GLU A 32 4.639 -2.788 2.553 1.00 15.12 H new ATOM 0 HA GLU A 32 4.752 -5.675 2.479 1.00 75.32 H new ATOM 0 HB2 GLU A 32 2.502 -5.509 3.424 1.00 33.43 H new ATOM 0 HB3 GLU A 32 3.605 -4.455 4.286 1.00 33.43 H new ATOM 0 HG2 GLU A 32 2.764 -2.515 2.975 1.00 25.04 H new ATOM 0 HG3 GLU A 32 1.649 -3.574 2.134 1.00 25.04 H new ATOM 464 N SER A 33 3.389 -4.006 0.073 1.00 15.02 N ATOM 465 CA SER A 33 2.752 -4.107 -1.235 1.00 41.33 C ATOM 466 C SER A 33 3.766 -3.879 -2.352 1.00 55.04 C ATOM 467 O SER A 33 3.526 -4.236 -3.506 1.00 44.04 O ATOM 468 CB SER A 33 1.613 -3.092 -1.351 1.00 43.14 C ATOM 469 OG SER A 33 0.929 -2.950 -0.118 1.00 33.52 O ATOM 0 H SER A 33 3.767 -3.083 0.288 1.00 15.02 H new ATOM 0 HA SER A 33 2.345 -5.113 -1.336 1.00 41.33 H new ATOM 0 HB2 SER A 33 2.012 -2.127 -1.662 1.00 43.14 H new ATOM 0 HB3 SER A 33 0.914 -3.412 -2.124 1.00 43.14 H new ATOM 0 HG SER A 33 0.207 -2.295 -0.218 1.00 33.52 H new ATOM 475 N ASP A 34 4.901 -3.284 -2.001 1.00 3.11 N ATOM 476 CA ASP A 34 5.954 -3.010 -2.971 1.00 13.21 C ATOM 477 C ASP A 34 6.383 -4.289 -3.683 1.00 52.32 C ATOM 478 O ASP A 34 6.885 -4.247 -4.808 1.00 2.31 O ATOM 479 CB ASP A 34 7.158 -2.366 -2.282 1.00 1.44 C ATOM 480 CG ASP A 34 8.188 -1.857 -3.271 1.00 72.42 C ATOM 481 OD1 ASP A 34 9.394 -2.102 -3.051 1.00 35.05 O ATOM 482 OD2 ASP A 34 7.789 -1.216 -4.265 1.00 63.13 O ATOM 0 H ASP A 34 5.115 -2.982 -1.051 1.00 3.11 H new ATOM 0 HA ASP A 34 5.558 -2.317 -3.714 1.00 13.21 H new ATOM 0 HB2 ASP A 34 6.817 -1.539 -1.659 1.00 1.44 H new ATOM 0 HB3 ASP A 34 7.625 -3.094 -1.618 1.00 1.44 H new ATOM 488 N LEU A 35 6.183 -5.423 -3.023 1.00 70.50 N ATOM 489 CA LEU A 35 6.551 -6.715 -3.592 1.00 64.41 C ATOM 490 C LEU A 35 5.963 -6.881 -4.989 1.00 71.13 C ATOM 491 O LEU A 35 6.539 -7.562 -5.839 1.00 41.31 O ATOM 492 CB LEU A 35 6.069 -7.849 -2.685 1.00 54.20 C ATOM 493 CG LEU A 35 6.967 -9.085 -2.622 1.00 31.22 C ATOM 494 CD1 LEU A 35 7.074 -9.738 -3.992 1.00 23.01 C ATOM 495 CD2 LEU A 35 8.346 -8.716 -2.097 1.00 63.34 C ATOM 0 H LEU A 35 5.768 -5.475 -2.093 1.00 70.50 H new ATOM 0 HA LEU A 35 7.638 -6.756 -3.668 1.00 64.41 H new ATOM 0 HB2 LEU A 35 5.954 -7.456 -1.675 1.00 54.20 H new ATOM 0 HB3 LEU A 35 5.080 -8.160 -3.020 1.00 54.20 H new ATOM 0 HG LEU A 35 6.518 -9.802 -1.934 1.00 31.22 H new ATOM 0 HD11 LEU A 35 7.717 -10.616 -3.927 1.00 23.01 H new ATOM 0 HD12 LEU A 35 6.082 -10.039 -4.330 1.00 23.01 H new ATOM 0 HD13 LEU A 35 7.499 -9.028 -4.701 1.00 23.01 H new ATOM 0 HD21 LEU A 35 8.971 -9.608 -2.059 1.00 63.34 H new ATOM 0 HD22 LEU A 35 8.803 -7.981 -2.759 1.00 63.34 H new ATOM 0 HD23 LEU A 35 8.253 -8.295 -1.096 1.00 63.34 H new ATOM 507 N ASP A 36 4.816 -6.253 -5.221 1.00 74.13 N ATOM 508 CA ASP A 36 4.152 -6.329 -6.518 1.00 42.42 C ATOM 509 C ASP A 36 5.092 -5.889 -7.637 1.00 22.14 C ATOM 510 O ASP A 36 4.997 -6.370 -8.765 1.00 44.41 O ATOM 511 CB ASP A 36 2.894 -5.459 -6.521 1.00 1.41 C ATOM 512 CG ASP A 36 3.193 -4.008 -6.841 1.00 64.14 C ATOM 513 OD1 ASP A 36 3.572 -3.261 -5.914 1.00 71.32 O ATOM 514 OD2 ASP A 36 3.050 -3.618 -8.018 1.00 12.01 O ATOM 0 H ASP A 36 4.326 -5.686 -4.529 1.00 74.13 H new ATOM 0 HA ASP A 36 3.868 -7.367 -6.694 1.00 42.42 H new ATOM 0 HB2 ASP A 36 2.187 -5.851 -7.252 1.00 1.41 H new ATOM 0 HB3 ASP A 36 2.411 -5.521 -5.546 1.00 1.41 H new ATOM 520 N MET A 37 5.998 -4.971 -7.315 1.00 23.20 N ATOM 521 CA MET A 37 6.955 -4.467 -8.293 1.00 11.11 C ATOM 522 C MET A 37 7.685 -5.616 -8.981 1.00 0.13 C ATOM 523 O MET A 37 8.071 -5.508 -10.145 1.00 21.33 O ATOM 524 CB MET A 37 7.965 -3.538 -7.617 1.00 11.41 C ATOM 525 CG MET A 37 7.405 -2.161 -7.296 1.00 32.23 C ATOM 526 SD MET A 37 7.176 -1.144 -8.766 1.00 31.21 S ATOM 527 CE MET A 37 8.555 -0.011 -8.612 1.00 23.01 C ATOM 0 H MET A 37 6.089 -4.562 -6.385 1.00 23.20 H new ATOM 0 HA MET A 37 6.404 -3.906 -9.048 1.00 11.11 H new ATOM 0 HB2 MET A 37 8.314 -4.003 -6.695 1.00 11.41 H new ATOM 0 HB3 MET A 37 8.834 -3.426 -8.266 1.00 11.41 H new ATOM 0 HG2 MET A 37 6.449 -2.272 -6.784 1.00 32.23 H new ATOM 0 HG3 MET A 37 8.078 -1.651 -6.607 1.00 32.23 H new ATOM 0 HE1 MET A 37 8.550 0.685 -9.451 1.00 23.01 H new ATOM 0 HE2 MET A 37 8.466 0.545 -7.679 1.00 23.01 H new ATOM 0 HE3 MET A 37 9.489 -0.573 -8.612 1.00 23.01 H new ATOM 537 N GLN A 38 7.870 -6.714 -8.255 1.00 45.33 N ATOM 538 CA GLN A 38 8.556 -7.881 -8.797 1.00 12.23 C ATOM 539 C GLN A 38 7.934 -8.310 -10.122 1.00 33.22 C ATOM 540 O GLN A 38 8.641 -8.552 -11.099 1.00 51.41 O ATOM 541 CB GLN A 38 8.504 -9.038 -7.797 1.00 40.03 C ATOM 542 CG GLN A 38 9.780 -9.864 -7.757 1.00 2.44 C ATOM 543 CD GLN A 38 11.007 -9.025 -7.461 1.00 61.45 C ATOM 544 OE1 GLN A 38 11.810 -8.744 -8.353 1.00 65.15 O ATOM 545 NE2 GLN A 38 11.161 -8.621 -6.206 1.00 61.13 N ATOM 0 H GLN A 38 7.555 -6.820 -7.291 1.00 45.33 H new ATOM 0 HA GLN A 38 9.597 -7.611 -8.976 1.00 12.23 H new ATOM 0 HB2 GLN A 38 8.308 -8.639 -6.802 1.00 40.03 H new ATOM 0 HB3 GLN A 38 7.667 -9.689 -8.050 1.00 40.03 H new ATOM 0 HG2 GLN A 38 9.683 -10.640 -6.998 1.00 2.44 H new ATOM 0 HG3 GLN A 38 9.912 -10.369 -8.714 1.00 2.44 H new ATOM 0 HE21 GLN A 38 10.471 -8.877 -5.500 1.00 61.13 H new ATOM 0 HE22 GLN A 38 11.969 -8.055 -5.948 1.00 61.13 H new ATOM 554 N GLN A 39 6.608 -8.402 -10.146 1.00 64.25 N ATOM 555 CA GLN A 39 5.893 -8.803 -11.351 1.00 12.14 C ATOM 556 C GLN A 39 5.904 -7.685 -12.388 1.00 34.42 C ATOM 557 O GLN A 39 5.766 -7.935 -13.586 1.00 60.02 O ATOM 558 CB GLN A 39 4.451 -9.184 -11.010 1.00 74.32 C ATOM 559 CG GLN A 39 4.336 -10.141 -9.834 1.00 54.54 C ATOM 560 CD GLN A 39 4.989 -11.482 -10.107 1.00 45.32 C ATOM 561 OE1 GLN A 39 4.347 -12.410 -10.599 1.00 11.21 O ATOM 562 NE2 GLN A 39 6.274 -11.590 -9.788 1.00 11.14 N ATOM 0 H GLN A 39 6.008 -8.204 -9.345 1.00 64.25 H new ATOM 0 HA GLN A 39 6.401 -9.670 -11.773 1.00 12.14 H new ATOM 0 HB2 GLN A 39 3.888 -8.278 -10.787 1.00 74.32 H new ATOM 0 HB3 GLN A 39 3.988 -9.640 -11.885 1.00 74.32 H new ATOM 0 HG2 GLN A 39 4.797 -9.689 -8.956 1.00 54.54 H new ATOM 0 HG3 GLN A 39 3.283 -10.295 -9.598 1.00 54.54 H new ATOM 0 HE21 GLN A 39 6.767 -10.795 -9.382 1.00 11.14 H new ATOM 0 HE22 GLN A 39 6.767 -12.468 -9.949 1.00 11.14 H new ATOM 571 N ALA A 40 6.069 -6.452 -11.920 1.00 15.22 N ATOM 572 CA ALA A 40 6.100 -5.296 -12.808 1.00 35.54 C ATOM 573 C ALA A 40 7.255 -5.395 -13.798 1.00 61.02 C ATOM 574 O ALA A 40 7.226 -4.780 -14.864 1.00 45.34 O ATOM 575 CB ALA A 40 6.205 -4.012 -11.998 1.00 15.23 C ATOM 0 H ALA A 40 6.183 -6.228 -10.931 1.00 15.22 H new ATOM 0 HA ALA A 40 5.170 -5.280 -13.376 1.00 35.54 H new ATOM 0 HB1 ALA A 40 6.227 -3.157 -12.673 1.00 15.23 H new ATOM 0 HB2 ALA A 40 5.344 -3.929 -11.335 1.00 15.23 H new ATOM 0 HB3 ALA A 40 7.119 -4.030 -11.405 1.00 15.23 H new ATOM 581 N MET A 41 8.272 -6.173 -13.439 1.00 24.22 N ATOM 582 CA MET A 41 9.437 -6.352 -14.297 1.00 20.11 C ATOM 583 C MET A 41 9.141 -7.347 -15.415 1.00 63.51 C ATOM 584 O MET A 41 9.411 -7.079 -16.586 1.00 33.55 O ATOM 585 CB MET A 41 10.634 -6.832 -13.474 1.00 52.23 C ATOM 586 CG MET A 41 10.885 -6.001 -12.226 1.00 74.44 C ATOM 587 SD MET A 41 12.641 -5.800 -11.867 1.00 55.01 S ATOM 588 CE MET A 41 13.061 -4.457 -12.973 1.00 14.53 C ATOM 0 H MET A 41 8.312 -6.689 -12.560 1.00 24.22 H new ATOM 0 HA MET A 41 9.678 -5.389 -14.747 1.00 20.11 H new ATOM 0 HB2 MET A 41 10.472 -7.870 -13.183 1.00 52.23 H new ATOM 0 HB3 MET A 41 11.526 -6.812 -14.100 1.00 52.23 H new ATOM 0 HG2 MET A 41 10.429 -5.019 -12.350 1.00 74.44 H new ATOM 0 HG3 MET A 41 10.396 -6.474 -11.375 1.00 74.44 H new ATOM 0 HE1 MET A 41 14.119 -4.216 -12.867 1.00 14.53 H new ATOM 0 HE2 MET A 41 12.858 -4.756 -14.001 1.00 14.53 H new ATOM 0 HE3 MET A 41 12.462 -3.581 -12.725 1.00 14.53 H new ATOM 598 N LEU A 42 8.586 -8.497 -15.045 1.00 52.12 N ATOM 599 CA LEU A 42 8.254 -9.533 -16.017 1.00 43.01 C ATOM 600 C LEU A 42 7.253 -9.015 -17.044 1.00 62.11 C ATOM 601 O LEU A 42 7.145 -9.551 -18.148 1.00 51.11 O ATOM 602 CB LEU A 42 7.684 -10.762 -15.306 1.00 72.23 C ATOM 603 CG LEU A 42 8.708 -11.708 -14.678 1.00 70.23 C ATOM 604 CD1 LEU A 42 9.312 -11.088 -13.428 1.00 41.34 C ATOM 605 CD2 LEU A 42 8.065 -13.048 -14.352 1.00 72.42 C ATOM 0 H LEU A 42 8.357 -8.735 -14.080 1.00 52.12 H new ATOM 0 HA LEU A 42 9.169 -9.814 -16.539 1.00 43.01 H new ATOM 0 HB2 LEU A 42 7.005 -10.422 -14.524 1.00 72.23 H new ATOM 0 HB3 LEU A 42 7.088 -11.327 -16.022 1.00 72.23 H new ATOM 0 HG LEU A 42 9.508 -11.876 -15.399 1.00 70.23 H new ATOM 0 HD11 LEU A 42 10.038 -11.776 -12.995 1.00 41.34 H new ATOM 0 HD12 LEU A 42 9.808 -10.153 -13.689 1.00 41.34 H new ATOM 0 HD13 LEU A 42 8.523 -10.890 -12.703 1.00 41.34 H new ATOM 0 HD21 LEU A 42 8.808 -13.709 -13.906 1.00 72.42 H new ATOM 0 HD22 LEU A 42 7.245 -12.897 -13.650 1.00 72.42 H new ATOM 0 HD23 LEU A 42 7.681 -13.499 -15.267 1.00 72.42 H new ATOM 617 N THR A 43 6.522 -7.968 -16.675 1.00 24.14 N ATOM 618 CA THR A 43 5.530 -7.377 -17.563 1.00 54.20 C ATOM 619 C THR A 43 6.044 -6.081 -18.178 1.00 62.13 C ATOM 620 O THR A 43 5.570 -5.648 -19.227 1.00 41.22 O ATOM 621 CB THR A 43 4.210 -7.092 -16.823 1.00 23.41 C ATOM 622 OG1 THR A 43 3.196 -6.709 -17.757 1.00 13.42 O ATOM 623 CG2 THR A 43 4.396 -5.991 -15.790 1.00 51.02 C ATOM 0 H THR A 43 6.599 -7.512 -15.766 1.00 24.14 H new ATOM 0 HA THR A 43 5.344 -8.103 -18.354 1.00 54.20 H new ATOM 0 HB THR A 43 3.904 -8.003 -16.310 1.00 23.41 H new ATOM 0 HG1 THR A 43 2.360 -6.531 -17.278 1.00 13.42 H new ATOM 0 HG21 THR A 43 3.450 -5.807 -15.280 1.00 51.02 H new ATOM 0 HG22 THR A 43 5.147 -6.298 -15.062 1.00 51.02 H new ATOM 0 HG23 THR A 43 4.724 -5.078 -16.287 1.00 51.02 H new ATOM 631 N ASN A 44 7.019 -5.465 -17.517 1.00 71.32 N ATOM 632 CA ASN A 44 7.599 -4.216 -17.999 1.00 72.53 C ATOM 633 C ASN A 44 6.564 -3.096 -17.989 1.00 54.23 C ATOM 634 O ASN A 44 5.608 -3.112 -18.764 1.00 54.14 O ATOM 635 CB ASN A 44 8.155 -4.400 -19.413 1.00 35.53 C ATOM 636 CG ASN A 44 9.358 -3.517 -19.681 1.00 52.24 C ATOM 637 OD1 ASN A 44 9.351 -2.704 -20.606 1.00 43.14 O ATOM 638 ND2 ASN A 44 10.398 -3.673 -18.871 1.00 43.35 N ATOM 0 H ASN A 44 7.424 -5.810 -16.647 1.00 71.32 H new ATOM 0 HA ASN A 44 8.413 -3.940 -17.329 1.00 72.53 H new ATOM 0 HB2 ASN A 44 8.434 -5.444 -19.558 1.00 35.53 H new ATOM 0 HB3 ASN A 44 7.374 -4.176 -20.140 1.00 35.53 H new ATOM 0 HD21 ASN A 44 11.236 -3.107 -19.002 1.00 43.35 H new ATOM 0 HD22 ASN A 44 10.359 -4.359 -18.117 1.00 43.35 H new ATOM 645 N LYS A 45 6.762 -2.123 -17.106 1.00 53.53 N ATOM 646 CA LYS A 45 5.848 -0.992 -16.995 1.00 63.44 C ATOM 647 C LYS A 45 5.614 -0.345 -18.356 1.00 34.53 C ATOM 648 O LYS A 45 6.372 -0.572 -19.300 1.00 34.14 O ATOM 649 CB LYS A 45 6.403 0.045 -16.015 1.00 31.54 C ATOM 650 CG LYS A 45 6.026 -0.224 -14.568 1.00 62.42 C ATOM 651 CD LYS A 45 6.992 -1.198 -13.913 1.00 22.45 C ATOM 652 CE LYS A 45 8.336 -0.547 -13.629 1.00 51.53 C ATOM 653 NZ LYS A 45 9.187 -1.391 -12.747 1.00 61.34 N ATOM 0 H LYS A 45 7.548 -2.095 -16.456 1.00 53.53 H new ATOM 0 HA LYS A 45 4.894 -1.364 -16.620 1.00 63.44 H new ATOM 0 HB2 LYS A 45 7.489 0.069 -16.100 1.00 31.54 H new ATOM 0 HB3 LYS A 45 6.039 1.032 -16.299 1.00 31.54 H new ATOM 0 HG2 LYS A 45 6.020 0.714 -14.012 1.00 62.42 H new ATOM 0 HG3 LYS A 45 5.014 -0.628 -14.523 1.00 62.42 H new ATOM 0 HD2 LYS A 45 6.562 -1.567 -12.982 1.00 22.45 H new ATOM 0 HD3 LYS A 45 7.135 -2.062 -14.563 1.00 22.45 H new ATOM 0 HE2 LYS A 45 8.857 -0.365 -14.569 1.00 51.53 H new ATOM 0 HE3 LYS A 45 8.177 0.424 -13.159 1.00 51.53 H new ATOM 0 HZ1 LYS A 45 10.094 -0.911 -12.578 1.00 61.34 H new ATOM 0 HZ2 LYS A 45 8.702 -1.544 -11.840 1.00 61.34 H new ATOM 0 HZ3 LYS A 45 9.361 -2.308 -13.206 1.00 61.34 H new ATOM 667 N ASP A 46 4.562 0.460 -18.450 1.00 72.14 N ATOM 668 CA ASP A 46 4.230 1.142 -19.696 1.00 42.05 C ATOM 669 C ASP A 46 3.627 2.515 -19.421 1.00 24.24 C ATOM 670 O ASP A 46 2.953 2.715 -18.411 1.00 14.35 O ATOM 671 CB ASP A 46 3.256 0.298 -20.520 1.00 50.12 C ATOM 672 CG ASP A 46 3.927 -0.899 -21.163 1.00 73.03 C ATOM 673 OD1 ASP A 46 4.772 -0.695 -22.060 1.00 1.40 O ATOM 674 OD2 ASP A 46 3.607 -2.040 -20.770 1.00 51.33 O ATOM 0 H ASP A 46 3.924 0.657 -17.679 1.00 72.14 H new ATOM 0 HA ASP A 46 5.151 1.278 -20.263 1.00 42.05 H new ATOM 0 HB2 ASP A 46 2.445 -0.045 -19.878 1.00 50.12 H new ATOM 0 HB3 ASP A 46 2.808 0.919 -21.295 1.00 50.12 H new ATOM 680 N GLU A 47 3.876 3.458 -20.324 1.00 33.42 N ATOM 681 CA GLU A 47 3.358 4.814 -20.176 1.00 33.50 C ATOM 682 C GLU A 47 1.835 4.805 -20.071 1.00 73.13 C ATOM 683 O GLU A 47 1.258 5.455 -19.200 1.00 43.10 O ATOM 684 CB GLU A 47 3.794 5.682 -21.357 1.00 2.22 C ATOM 685 CG GLU A 47 3.447 5.087 -22.712 1.00 63.33 C ATOM 686 CD GLU A 47 4.082 5.844 -23.861 1.00 52.41 C ATOM 687 OE1 GLU A 47 4.656 6.925 -23.614 1.00 63.11 O ATOM 688 OE2 GLU A 47 4.003 5.357 -25.008 1.00 14.22 O ATOM 0 H GLU A 47 4.433 3.309 -21.165 1.00 33.42 H new ATOM 0 HA GLU A 47 3.766 5.234 -19.257 1.00 33.50 H new ATOM 0 HB2 GLU A 47 3.325 6.662 -21.269 1.00 2.22 H new ATOM 0 HB3 GLU A 47 4.871 5.838 -21.304 1.00 2.22 H new ATOM 0 HG2 GLU A 47 3.773 4.047 -22.742 1.00 63.33 H new ATOM 0 HG3 GLU A 47 2.364 5.085 -22.837 1.00 63.33 H new ATOM 696 N LYS A 48 1.190 4.065 -20.966 1.00 75.22 N ATOM 697 CA LYS A 48 -0.264 3.970 -20.977 1.00 22.20 C ATOM 698 C LYS A 48 -0.795 3.596 -19.596 1.00 42.32 C ATOM 699 O LYS A 48 -1.901 3.985 -19.219 1.00 41.53 O ATOM 700 CB LYS A 48 -0.721 2.935 -22.007 1.00 21.24 C ATOM 701 CG LYS A 48 0.078 1.644 -21.968 1.00 55.42 C ATOM 702 CD LYS A 48 -0.404 0.721 -20.862 1.00 3.43 C ATOM 703 CE LYS A 48 -0.556 -0.709 -21.356 1.00 0.22 C ATOM 704 NZ LYS A 48 -1.513 -0.805 -22.493 1.00 72.32 N ATOM 0 H LYS A 48 1.653 3.521 -21.694 1.00 75.22 H new ATOM 0 HA LYS A 48 -0.664 4.946 -21.250 1.00 22.20 H new ATOM 0 HB2 LYS A 48 -1.773 2.706 -21.838 1.00 21.24 H new ATOM 0 HB3 LYS A 48 -0.646 3.369 -23.004 1.00 21.24 H new ATOM 0 HG2 LYS A 48 -0.004 1.135 -22.929 1.00 55.42 H new ATOM 0 HG3 LYS A 48 1.133 1.873 -21.818 1.00 55.42 H new ATOM 0 HD2 LYS A 48 0.302 0.747 -20.032 1.00 3.43 H new ATOM 0 HD3 LYS A 48 -1.360 1.078 -20.479 1.00 3.43 H new ATOM 0 HE2 LYS A 48 0.416 -1.091 -21.667 1.00 0.22 H new ATOM 0 HE3 LYS A 48 -0.900 -1.341 -20.537 1.00 0.22 H new ATOM 0 HZ1 LYS A 48 -2.283 -1.459 -22.245 1.00 72.32 H new ATOM 0 HZ2 LYS A 48 -1.909 0.135 -22.694 1.00 72.32 H new ATOM 0 HZ3 LYS A 48 -1.017 -1.158 -23.336 1.00 72.32 H new ATOM 718 N VAL A 49 0.001 2.841 -18.845 1.00 50.31 N ATOM 719 CA VAL A 49 -0.387 2.418 -17.505 1.00 2.54 C ATOM 720 C VAL A 49 -0.204 3.546 -16.497 1.00 45.53 C ATOM 721 O VAL A 49 -1.025 3.731 -15.597 1.00 73.34 O ATOM 722 CB VAL A 49 0.427 1.195 -17.044 1.00 51.34 C ATOM 723 CG1 VAL A 49 0.418 1.087 -15.527 1.00 4.11 C ATOM 724 CG2 VAL A 49 -0.113 -0.076 -17.681 1.00 10.25 C ATOM 0 H VAL A 49 0.919 2.510 -19.142 1.00 50.31 H new ATOM 0 HA VAL A 49 -1.441 2.146 -17.553 1.00 2.54 H new ATOM 0 HB VAL A 49 1.460 1.326 -17.368 1.00 51.34 H new ATOM 0 HG11 VAL A 49 0.998 0.217 -15.221 1.00 4.11 H new ATOM 0 HG12 VAL A 49 0.857 1.986 -15.096 1.00 4.11 H new ATOM 0 HG13 VAL A 49 -0.608 0.980 -15.176 1.00 4.11 H new ATOM 0 HG21 VAL A 49 0.474 -0.930 -17.344 1.00 10.25 H new ATOM 0 HG22 VAL A 49 -1.154 -0.215 -17.390 1.00 10.25 H new ATOM 0 HG23 VAL A 49 -0.047 0.004 -18.766 1.00 10.25 H new ATOM 734 N LEU A 50 0.878 4.301 -16.653 1.00 54.33 N ATOM 735 CA LEU A 50 1.171 5.415 -15.758 1.00 24.23 C ATOM 736 C LEU A 50 0.088 6.485 -15.846 1.00 75.31 C ATOM 737 O LEU A 50 -0.118 7.256 -14.909 1.00 65.02 O ATOM 738 CB LEU A 50 2.534 6.022 -16.094 1.00 15.22 C ATOM 739 CG LEU A 50 3.710 5.046 -16.145 1.00 13.20 C ATOM 740 CD1 LEU A 50 4.892 5.672 -16.869 1.00 1.13 C ATOM 741 CD2 LEU A 50 4.107 4.616 -14.740 1.00 42.45 C ATOM 0 H LEU A 50 1.567 4.162 -17.392 1.00 54.33 H new ATOM 0 HA LEU A 50 1.194 5.032 -14.738 1.00 24.23 H new ATOM 0 HB2 LEU A 50 2.459 6.520 -17.061 1.00 15.22 H new ATOM 0 HB3 LEU A 50 2.758 6.792 -15.356 1.00 15.22 H new ATOM 0 HG LEU A 50 3.400 4.160 -16.699 1.00 13.20 H new ATOM 0 HD11 LEU A 50 5.719 4.963 -16.896 1.00 1.13 H new ATOM 0 HD12 LEU A 50 4.601 5.928 -17.888 1.00 1.13 H new ATOM 0 HD13 LEU A 50 5.204 6.574 -16.343 1.00 1.13 H new ATOM 0 HD21 LEU A 50 4.945 3.922 -14.795 1.00 42.45 H new ATOM 0 HD22 LEU A 50 4.399 5.492 -14.160 1.00 42.45 H new ATOM 0 HD23 LEU A 50 3.262 4.126 -14.257 1.00 42.45 H new ATOM 753 N LYS A 51 -0.604 6.526 -16.981 1.00 64.31 N ATOM 754 CA LYS A 51 -1.668 7.500 -17.193 1.00 32.45 C ATOM 755 C LYS A 51 -2.782 7.320 -16.165 1.00 54.53 C ATOM 756 O LYS A 51 -3.426 8.287 -15.760 1.00 44.10 O ATOM 757 CB LYS A 51 -2.238 7.362 -18.607 1.00 30.02 C ATOM 758 CG LYS A 51 -1.200 7.543 -19.700 1.00 11.41 C ATOM 759 CD LYS A 51 -1.540 8.719 -20.602 1.00 64.41 C ATOM 760 CE LYS A 51 -2.850 8.495 -21.340 1.00 11.34 C ATOM 761 NZ LYS A 51 -2.853 7.207 -22.088 1.00 63.12 N ATOM 0 H LYS A 51 -0.446 5.896 -17.767 1.00 64.31 H new ATOM 0 HA LYS A 51 -1.244 8.497 -17.074 1.00 32.45 H new ATOM 0 HB2 LYS A 51 -2.696 6.378 -18.711 1.00 30.02 H new ATOM 0 HB3 LYS A 51 -3.030 8.098 -18.744 1.00 30.02 H new ATOM 0 HG2 LYS A 51 -0.220 7.700 -19.250 1.00 11.41 H new ATOM 0 HG3 LYS A 51 -1.135 6.633 -20.296 1.00 11.41 H new ATOM 0 HD2 LYS A 51 -1.608 9.629 -20.005 1.00 64.41 H new ATOM 0 HD3 LYS A 51 -0.736 8.870 -21.323 1.00 64.41 H new ATOM 0 HE2 LYS A 51 -3.674 8.503 -20.627 1.00 11.34 H new ATOM 0 HE3 LYS A 51 -3.021 9.318 -22.034 1.00 11.34 H new ATOM 0 HZ1 LYS A 51 -3.638 7.204 -22.770 1.00 63.12 H new ATOM 0 HZ2 LYS A 51 -1.952 7.098 -22.596 1.00 63.12 H new ATOM 0 HZ3 LYS A 51 -2.971 6.418 -21.421 1.00 63.12 H new ATOM 775 N ALA A 52 -3.001 6.077 -15.748 1.00 41.42 N ATOM 776 CA ALA A 52 -4.034 5.773 -14.765 1.00 30.01 C ATOM 777 C ALA A 52 -3.670 6.333 -13.394 1.00 42.12 C ATOM 778 O ALA A 52 -4.537 6.785 -12.646 1.00 61.02 O ATOM 779 CB ALA A 52 -4.256 4.271 -14.682 1.00 0.04 C ATOM 0 H ALA A 52 -2.477 5.265 -16.075 1.00 41.42 H new ATOM 0 HA ALA A 52 -4.960 6.249 -15.088 1.00 30.01 H new ATOM 0 HB1 ALA A 52 -5.030 4.058 -13.944 1.00 0.04 H new ATOM 0 HB2 ALA A 52 -4.570 3.895 -15.656 1.00 0.04 H new ATOM 0 HB3 ALA A 52 -3.328 3.782 -14.386 1.00 0.04 H new ATOM 785 N LEU A 53 -2.381 6.300 -13.070 1.00 1.33 N ATOM 786 CA LEU A 53 -1.901 6.804 -11.788 1.00 12.15 C ATOM 787 C LEU A 53 -2.255 8.277 -11.616 1.00 3.43 C ATOM 788 O LEU A 53 -2.305 8.786 -10.496 1.00 51.34 O ATOM 789 CB LEU A 53 -0.388 6.615 -11.678 1.00 20.51 C ATOM 790 CG LEU A 53 0.116 5.174 -11.766 1.00 63.53 C ATOM 791 CD1 LEU A 53 1.636 5.143 -11.831 1.00 13.41 C ATOM 792 CD2 LEU A 53 -0.384 4.360 -10.582 1.00 25.25 C ATOM 0 H LEU A 53 -1.650 5.930 -13.678 1.00 1.33 H new ATOM 0 HA LEU A 53 -2.390 6.237 -10.996 1.00 12.15 H new ATOM 0 HB2 LEU A 53 0.089 7.195 -12.468 1.00 20.51 H new ATOM 0 HB3 LEU A 53 -0.057 7.037 -10.729 1.00 20.51 H new ATOM 0 HG LEU A 53 -0.277 4.728 -12.680 1.00 63.53 H new ATOM 0 HD11 LEU A 53 1.977 4.109 -11.893 1.00 13.41 H new ATOM 0 HD12 LEU A 53 1.974 5.690 -12.711 1.00 13.41 H new ATOM 0 HD13 LEU A 53 2.048 5.607 -10.935 1.00 13.41 H new ATOM 0 HD21 LEU A 53 -0.015 3.337 -10.662 1.00 25.25 H new ATOM 0 HD22 LEU A 53 -0.022 4.805 -9.655 1.00 25.25 H new ATOM 0 HD23 LEU A 53 -1.474 4.353 -10.579 1.00 25.25 H new ATOM 804 N GLU A 54 -2.504 8.956 -12.731 1.00 63.34 N ATOM 805 CA GLU A 54 -2.853 10.371 -12.702 1.00 35.01 C ATOM 806 C GLU A 54 -4.206 10.583 -12.026 1.00 72.25 C ATOM 807 O GLU A 54 -4.384 11.523 -11.251 1.00 50.33 O ATOM 808 CB GLU A 54 -2.886 10.941 -14.122 1.00 32.11 C ATOM 809 CG GLU A 54 -1.555 10.844 -14.846 1.00 41.24 C ATOM 810 CD GLU A 54 -1.075 12.186 -15.366 1.00 55.11 C ATOM 811 OE1 GLU A 54 0.149 12.432 -15.331 1.00 42.35 O ATOM 812 OE2 GLU A 54 -1.923 12.989 -15.809 1.00 75.00 O ATOM 0 H GLU A 54 -2.470 8.549 -13.666 1.00 63.34 H new ATOM 0 HA GLU A 54 -2.091 10.895 -12.126 1.00 35.01 H new ATOM 0 HB2 GLU A 54 -3.644 10.412 -14.700 1.00 32.11 H new ATOM 0 HB3 GLU A 54 -3.191 11.987 -14.078 1.00 32.11 H new ATOM 0 HG2 GLU A 54 -0.807 10.432 -14.169 1.00 41.24 H new ATOM 0 HG3 GLU A 54 -1.649 10.148 -15.680 1.00 41.24 H new ATOM 820 N ARG A 55 -5.155 9.703 -12.326 1.00 62.54 N ATOM 821 CA ARG A 55 -6.491 9.793 -11.749 1.00 15.20 C ATOM 822 C ARG A 55 -6.497 9.289 -10.310 1.00 32.21 C ATOM 823 O ARG A 55 -7.250 9.783 -9.470 1.00 72.32 O ATOM 824 CB ARG A 55 -7.486 8.989 -12.588 1.00 10.44 C ATOM 825 CG ARG A 55 -8.839 8.808 -11.919 1.00 12.43 C ATOM 826 CD ARG A 55 -9.459 10.146 -11.546 1.00 64.32 C ATOM 827 NE ARG A 55 -10.878 10.205 -11.882 1.00 1.14 N ATOM 828 CZ ARG A 55 -11.709 11.128 -11.407 1.00 73.14 C ATOM 829 NH1 ARG A 55 -11.262 12.065 -10.582 1.00 15.20 N ATOM 830 NH2 ARG A 55 -12.988 11.115 -11.760 1.00 44.32 N ATOM 0 H ARG A 55 -5.024 8.919 -12.965 1.00 62.54 H new ATOM 0 HA ARG A 55 -6.790 10.841 -11.749 1.00 15.20 H new ATOM 0 HB2 ARG A 55 -7.628 9.489 -13.546 1.00 10.44 H new ATOM 0 HB3 ARG A 55 -7.061 8.008 -12.800 1.00 10.44 H new ATOM 0 HG2 ARG A 55 -9.509 8.270 -12.590 1.00 12.43 H new ATOM 0 HG3 ARG A 55 -8.725 8.196 -11.024 1.00 12.43 H new ATOM 0 HD2 ARG A 55 -9.332 10.319 -10.477 1.00 64.32 H new ATOM 0 HD3 ARG A 55 -8.931 10.947 -12.063 1.00 64.32 H new ATOM 0 HE ARG A 55 -11.253 9.499 -12.516 1.00 1.14 H new ATOM 0 HH11 ARG A 55 -10.279 12.079 -10.311 1.00 15.20 H new ATOM 0 HH12 ARG A 55 -11.901 12.772 -10.219 1.00 15.20 H new ATOM 0 HH21 ARG A 55 -13.334 10.397 -12.396 1.00 44.32 H new ATOM 0 HH22 ARG A 55 -13.625 11.823 -11.395 1.00 44.32 H new ATOM 844 N THR A 56 -5.653 8.299 -10.031 1.00 10.03 N ATOM 845 CA THR A 56 -5.563 7.726 -8.694 1.00 11.11 C ATOM 846 C THR A 56 -4.833 8.666 -7.741 1.00 2.32 C ATOM 847 O THR A 56 -5.254 8.858 -6.601 1.00 24.42 O ATOM 848 CB THR A 56 -4.836 6.368 -8.714 1.00 24.54 C ATOM 849 OG1 THR A 56 -3.420 6.571 -8.769 1.00 35.22 O ATOM 850 CG2 THR A 56 -5.282 5.532 -9.904 1.00 40.44 C ATOM 0 H THR A 56 -5.023 7.878 -10.714 1.00 10.03 H new ATOM 0 HA THR A 56 -6.584 7.579 -8.343 1.00 11.11 H new ATOM 0 HB THR A 56 -5.090 5.832 -7.800 1.00 24.54 H new ATOM 0 HG1 THR A 56 -3.001 6.166 -7.981 1.00 35.22 H new ATOM 0 HG21 THR A 56 -4.755 4.578 -9.896 1.00 40.44 H new ATOM 0 HG22 THR A 56 -6.356 5.354 -9.842 1.00 40.44 H new ATOM 0 HG23 THR A 56 -5.056 6.064 -10.828 1.00 40.44 H new ATOM 858 N ARG A 57 -3.739 9.250 -8.217 1.00 44.31 N ATOM 859 CA ARG A 57 -2.950 10.171 -7.405 1.00 72.00 C ATOM 860 C ARG A 57 -3.804 11.341 -6.926 1.00 44.22 C ATOM 861 O ARG A 57 -3.521 11.944 -5.892 1.00 21.14 O ATOM 862 CB ARG A 57 -1.754 10.692 -8.204 1.00 35.03 C ATOM 863 CG ARG A 57 -2.141 11.616 -9.348 1.00 0.23 C ATOM 864 CD ARG A 57 -0.963 12.463 -9.803 1.00 13.12 C ATOM 865 NE ARG A 57 0.177 11.643 -10.204 1.00 1.42 N ATOM 866 CZ ARG A 57 1.399 12.128 -10.394 1.00 65.52 C ATOM 867 NH1 ARG A 57 1.639 13.420 -10.217 1.00 13.31 N ATOM 868 NH2 ARG A 57 2.386 11.318 -10.758 1.00 12.13 N ATOM 0 H ARG A 57 -3.378 9.103 -9.160 1.00 44.31 H new ATOM 0 HA ARG A 57 -2.587 9.628 -6.533 1.00 72.00 H new ATOM 0 HB2 ARG A 57 -1.082 11.224 -7.530 1.00 35.03 H new ATOM 0 HB3 ARG A 57 -1.199 9.844 -8.605 1.00 35.03 H new ATOM 0 HG2 ARG A 57 -2.510 11.025 -10.186 1.00 0.23 H new ATOM 0 HG3 ARG A 57 -2.957 12.266 -9.032 1.00 0.23 H new ATOM 0 HD2 ARG A 57 -1.270 13.091 -10.639 1.00 13.12 H new ATOM 0 HD3 ARG A 57 -0.663 13.131 -8.995 1.00 13.12 H new ATOM 0 HE ARG A 57 0.027 10.644 -10.346 1.00 1.42 H new ATOM 0 HH11 ARG A 57 0.884 14.045 -9.934 1.00 13.31 H new ATOM 0 HH12 ARG A 57 2.579 13.789 -10.364 1.00 13.31 H new ATOM 0 HH21 ARG A 57 2.206 10.323 -10.892 1.00 12.13 H new ATOM 0 HH22 ARG A 57 3.324 11.691 -10.904 1.00 12.13 H new ATOM 882 N GLN A 58 -4.849 11.655 -7.685 1.00 51.54 N ATOM 883 CA GLN A 58 -5.743 12.754 -7.339 1.00 64.43 C ATOM 884 C GLN A 58 -6.492 12.457 -6.043 1.00 43.34 C ATOM 885 O GLN A 58 -6.681 13.341 -5.208 1.00 5.43 O ATOM 886 CB GLN A 58 -6.739 13.006 -8.471 1.00 55.10 C ATOM 887 CG GLN A 58 -6.133 13.729 -9.664 1.00 32.45 C ATOM 888 CD GLN A 58 -5.790 15.173 -9.358 1.00 11.23 C ATOM 889 OE1 GLN A 58 -4.605 15.395 -8.803 1.00 44.11 O flip ATOM 890 NE2 GLN A 58 -6.581 16.080 -9.619 1.00 24.21 N flip ATOM 0 H GLN A 58 -5.097 11.164 -8.544 1.00 51.54 H new ATOM 0 HA GLN A 58 -5.138 13.649 -7.192 1.00 64.43 H new ATOM 0 HB2 GLN A 58 -7.147 12.052 -8.804 1.00 55.10 H new ATOM 0 HB3 GLN A 58 -7.573 13.593 -8.086 1.00 55.10 H new ATOM 0 HG2 GLN A 58 -5.232 13.205 -9.982 1.00 32.45 H new ATOM 0 HG3 GLN A 58 -6.833 13.695 -10.499 1.00 32.45 H new ATOM 0 HE21 GLN A 58 -7.482 15.864 -10.046 1.00 24.21 H new ATOM 0 HE22 GLN A 58 -6.335 17.047 -9.408 1.00 24.21 H new ATOM 899 N LEU A 59 -6.915 11.208 -5.883 1.00 53.44 N ATOM 900 CA LEU A 59 -7.645 10.795 -4.689 1.00 62.25 C ATOM 901 C LEU A 59 -6.691 10.248 -3.631 1.00 1.31 C ATOM 902 O LEU A 59 -7.117 9.613 -2.667 1.00 44.33 O ATOM 903 CB LEU A 59 -8.689 9.736 -5.047 1.00 42.33 C ATOM 904 CG LEU A 59 -9.549 10.031 -6.276 1.00 72.12 C ATOM 905 CD1 LEU A 59 -9.477 8.880 -7.267 1.00 60.55 C ATOM 906 CD2 LEU A 59 -10.991 10.295 -5.867 1.00 73.23 C ATOM 0 H LEU A 59 -6.765 10.464 -6.564 1.00 53.44 H new ATOM 0 HA LEU A 59 -8.150 11.670 -4.280 1.00 62.25 H new ATOM 0 HB2 LEU A 59 -8.176 8.788 -5.207 1.00 42.33 H new ATOM 0 HB3 LEU A 59 -9.349 9.601 -4.190 1.00 42.33 H new ATOM 0 HG LEU A 59 -9.160 10.926 -6.761 1.00 72.12 H new ATOM 0 HD11 LEU A 59 -10.095 9.108 -8.135 1.00 60.55 H new ATOM 0 HD12 LEU A 59 -8.444 8.737 -7.585 1.00 60.55 H new ATOM 0 HD13 LEU A 59 -9.840 7.968 -6.793 1.00 60.55 H new ATOM 0 HD21 LEU A 59 -11.589 10.503 -6.754 1.00 73.23 H new ATOM 0 HD22 LEU A 59 -11.391 9.418 -5.358 1.00 73.23 H new ATOM 0 HD23 LEU A 59 -11.028 11.153 -5.196 1.00 73.23 H new ATOM 918 N ASP A 60 -5.400 10.501 -3.818 1.00 72.21 N ATOM 919 CA ASP A 60 -4.386 10.037 -2.878 1.00 53.50 C ATOM 920 C ASP A 60 -4.330 8.513 -2.848 1.00 35.14 C ATOM 921 O ASP A 60 -4.795 7.884 -1.897 1.00 35.42 O ATOM 922 CB ASP A 60 -4.674 10.577 -1.477 1.00 20.10 C ATOM 923 CG ASP A 60 -5.186 12.004 -1.500 1.00 64.11 C ATOM 924 OD1 ASP A 60 -6.362 12.220 -1.136 1.00 73.21 O ATOM 925 OD2 ASP A 60 -4.411 12.905 -1.879 1.00 52.55 O ATOM 0 H ASP A 60 -5.031 11.025 -4.612 1.00 72.21 H new ATOM 0 HA ASP A 60 -3.418 10.412 -3.211 1.00 53.50 H new ATOM 0 HB2 ASP A 60 -5.410 9.938 -0.989 1.00 20.10 H new ATOM 0 HB3 ASP A 60 -3.764 10.530 -0.879 1.00 20.10 H new ATOM 931 N ILE A 61 -3.759 7.926 -3.894 1.00 53.12 N ATOM 932 CA ILE A 61 -3.643 6.476 -3.988 1.00 63.22 C ATOM 933 C ILE A 61 -2.220 6.061 -4.346 1.00 11.24 C ATOM 934 O ILE A 61 -1.615 6.575 -5.287 1.00 54.32 O ATOM 935 CB ILE A 61 -4.614 5.899 -5.035 1.00 50.43 C ATOM 936 CG1 ILE A 61 -6.016 6.475 -4.833 1.00 35.14 C ATOM 937 CG2 ILE A 61 -4.641 4.381 -4.952 1.00 21.44 C ATOM 938 CD1 ILE A 61 -6.995 6.074 -5.914 1.00 32.21 C ATOM 0 H ILE A 61 -3.369 8.433 -4.689 1.00 53.12 H new ATOM 0 HA ILE A 61 -3.900 6.075 -3.008 1.00 63.22 H new ATOM 0 HB ILE A 61 -4.265 6.182 -6.028 1.00 50.43 H new ATOM 0 HG12 ILE A 61 -6.399 6.147 -3.867 1.00 35.14 H new ATOM 0 HG13 ILE A 61 -5.952 7.563 -4.797 1.00 35.14 H new ATOM 0 HG21 ILE A 61 -5.332 3.988 -5.698 1.00 21.44 H new ATOM 0 HG22 ILE A 61 -3.642 3.988 -5.140 1.00 21.44 H new ATOM 0 HG23 ILE A 61 -4.969 4.077 -3.958 1.00 21.44 H new ATOM 0 HD11 ILE A 61 -7.968 6.518 -5.706 1.00 32.21 H new ATOM 0 HD12 ILE A 61 -6.634 6.426 -6.880 1.00 32.21 H new ATOM 0 HD13 ILE A 61 -7.089 4.988 -5.935 1.00 32.21 H new ATOM 950 N PRO A 62 -1.672 5.106 -3.580 1.00 43.32 N ATOM 951 CA PRO A 62 -0.313 4.598 -3.799 1.00 14.24 C ATOM 952 C PRO A 62 -0.203 3.774 -5.076 1.00 54.52 C ATOM 953 O PRO A 62 -1.092 2.985 -5.397 1.00 61.23 O ATOM 954 CB PRO A 62 -0.062 3.719 -2.572 1.00 1.30 C ATOM 955 CG PRO A 62 -1.418 3.300 -2.120 1.00 12.52 C ATOM 956 CD PRO A 62 -2.335 4.450 -2.441 1.00 75.53 C ATOM 0 HA PRO A 62 0.411 5.405 -3.918 1.00 14.24 H new ATOM 0 HB2 PRO A 62 0.555 2.856 -2.823 1.00 1.30 H new ATOM 0 HB3 PRO A 62 0.462 4.270 -1.791 1.00 1.30 H new ATOM 0 HG2 PRO A 62 -1.737 2.392 -2.632 1.00 12.52 H new ATOM 0 HG3 PRO A 62 -1.424 3.083 -1.052 1.00 12.52 H new ATOM 0 HD2 PRO A 62 -3.336 4.105 -2.702 1.00 75.53 H new ATOM 0 HD3 PRO A 62 -2.442 5.127 -1.594 1.00 75.53 H new ATOM 964 N ASP A 63 0.894 3.961 -5.803 1.00 22.40 N ATOM 965 CA ASP A 63 1.122 3.233 -7.045 1.00 74.44 C ATOM 966 C ASP A 63 1.345 1.749 -6.772 1.00 70.24 C ATOM 967 O ASP A 63 1.367 0.935 -7.695 1.00 70.13 O ATOM 968 CB ASP A 63 2.326 3.814 -7.788 1.00 73.10 C ATOM 969 CG ASP A 63 2.285 5.327 -7.865 1.00 12.24 C ATOM 970 OD1 ASP A 63 1.173 5.885 -7.995 1.00 62.45 O ATOM 971 OD2 ASP A 63 3.361 5.955 -7.794 1.00 41.42 O ATOM 0 H ASP A 63 1.639 4.611 -5.553 1.00 22.40 H new ATOM 0 HA ASP A 63 0.234 3.340 -7.668 1.00 74.44 H new ATOM 0 HB2 ASP A 63 3.243 3.504 -7.287 1.00 73.10 H new ATOM 0 HB3 ASP A 63 2.359 3.403 -8.797 1.00 73.10 H new ATOM 977 N GLU A 64 1.511 1.405 -5.499 1.00 32.21 N ATOM 978 CA GLU A 64 1.734 0.018 -5.106 1.00 35.21 C ATOM 979 C GLU A 64 0.435 -0.781 -5.169 1.00 31.43 C ATOM 980 O GLU A 64 0.422 -1.934 -5.601 1.00 20.32 O ATOM 981 CB GLU A 64 2.317 -0.047 -3.693 1.00 33.31 C ATOM 982 CG GLU A 64 3.439 0.949 -3.451 1.00 42.32 C ATOM 983 CD GLU A 64 4.032 0.833 -2.061 1.00 61.25 C ATOM 984 OE1 GLU A 64 3.684 -0.130 -1.346 1.00 71.54 O ATOM 985 OE2 GLU A 64 4.846 1.704 -1.687 1.00 54.41 O ATOM 0 H GLU A 64 1.495 2.067 -4.723 1.00 32.21 H new ATOM 0 HA GLU A 64 2.445 -0.421 -5.806 1.00 35.21 H new ATOM 0 HB2 GLU A 64 1.520 0.134 -2.972 1.00 33.31 H new ATOM 0 HB3 GLU A 64 2.691 -1.054 -3.509 1.00 33.31 H new ATOM 0 HG2 GLU A 64 4.224 0.793 -4.191 1.00 42.32 H new ATOM 0 HG3 GLU A 64 3.060 1.960 -3.597 1.00 42.32 H new ATOM 993 N LYS A 65 -0.656 -0.160 -4.735 1.00 2.24 N ATOM 994 CA LYS A 65 -1.961 -0.811 -4.742 1.00 4.20 C ATOM 995 C LYS A 65 -2.691 -0.553 -6.056 1.00 72.41 C ATOM 996 O LYS A 65 -3.516 -1.359 -6.489 1.00 42.12 O ATOM 997 CB LYS A 65 -2.809 -0.311 -3.570 1.00 32.20 C ATOM 998 CG LYS A 65 -3.534 0.993 -3.855 1.00 13.11 C ATOM 999 CD LYS A 65 -4.175 1.562 -2.601 1.00 63.43 C ATOM 1000 CE LYS A 65 -5.281 0.656 -2.080 1.00 72.13 C ATOM 1001 NZ LYS A 65 -5.146 0.399 -0.620 1.00 21.41 N ATOM 0 H LYS A 65 -0.663 0.794 -4.374 1.00 2.24 H new ATOM 0 HA LYS A 65 -1.804 -1.885 -4.638 1.00 4.20 H new ATOM 0 HB2 LYS A 65 -3.542 -1.075 -3.311 1.00 32.20 H new ATOM 0 HB3 LYS A 65 -2.167 -0.177 -2.699 1.00 32.20 H new ATOM 0 HG2 LYS A 65 -2.832 1.718 -4.266 1.00 13.11 H new ATOM 0 HG3 LYS A 65 -4.300 0.826 -4.612 1.00 13.11 H new ATOM 0 HD2 LYS A 65 -3.416 1.692 -1.830 1.00 63.43 H new ATOM 0 HD3 LYS A 65 -4.583 2.550 -2.816 1.00 63.43 H new ATOM 0 HE2 LYS A 65 -6.250 1.114 -2.280 1.00 72.13 H new ATOM 0 HE3 LYS A 65 -5.259 -0.291 -2.619 1.00 72.13 H new ATOM 0 HZ1 LYS A 65 -5.637 -0.485 -0.376 1.00 21.41 H new ATOM 0 HZ2 LYS A 65 -4.139 0.314 -0.374 1.00 21.41 H new ATOM 0 HZ3 LYS A 65 -5.567 1.187 -0.088 1.00 21.41 H new ATOM 1015 N THR A 66 -2.380 0.573 -6.690 1.00 10.10 N ATOM 1016 CA THR A 66 -3.006 0.936 -7.956 1.00 22.44 C ATOM 1017 C THR A 66 -2.479 0.073 -9.096 1.00 35.03 C ATOM 1018 O THR A 66 -3.194 -0.199 -10.061 1.00 64.30 O ATOM 1019 CB THR A 66 -2.765 2.419 -8.296 1.00 14.51 C ATOM 1020 OG1 THR A 66 -3.356 3.254 -7.294 1.00 24.14 O ATOM 1021 CG2 THR A 66 -3.349 2.762 -9.659 1.00 2.33 C ATOM 0 H THR A 66 -1.698 1.250 -6.348 1.00 10.10 H new ATOM 0 HA THR A 66 -4.077 0.767 -7.840 1.00 22.44 H new ATOM 0 HB THR A 66 -1.689 2.593 -8.324 1.00 14.51 H new ATOM 0 HG1 THR A 66 -3.197 4.195 -7.517 1.00 24.14 H new ATOM 0 HG21 THR A 66 -3.167 3.814 -9.878 1.00 2.33 H new ATOM 0 HG22 THR A 66 -2.876 2.145 -10.423 1.00 2.33 H new ATOM 0 HG23 THR A 66 -4.422 2.573 -9.653 1.00 2.33 H new ATOM 1029 N MET A 67 -1.228 -0.356 -8.978 1.00 31.20 N ATOM 1030 CA MET A 67 -0.607 -1.192 -10.000 1.00 54.03 C ATOM 1031 C MET A 67 -1.497 -2.382 -10.343 1.00 74.10 C ATOM 1032 O MET A 67 -1.922 -2.562 -11.485 1.00 3.12 O ATOM 1033 CB MET A 67 0.762 -1.684 -9.526 1.00 1.24 C ATOM 1034 CG MET A 67 1.924 -0.885 -10.092 1.00 52.43 C ATOM 1035 SD MET A 67 2.503 -1.529 -11.674 1.00 62.41 S ATOM 1036 CE MET A 67 1.530 -0.551 -12.816 1.00 23.14 C ATOM 0 H MET A 67 -0.623 -0.139 -8.186 1.00 31.20 H new ATOM 0 HA MET A 67 -0.476 -0.588 -10.898 1.00 54.03 H new ATOM 0 HB2 MET A 67 0.798 -1.640 -8.437 1.00 1.24 H new ATOM 0 HB3 MET A 67 0.880 -2.730 -9.807 1.00 1.24 H new ATOM 0 HG2 MET A 67 1.619 0.154 -10.217 1.00 52.43 H new ATOM 0 HG3 MET A 67 2.747 -0.892 -9.378 1.00 52.43 H new ATOM 0 HE1 MET A 67 2.143 -0.278 -13.675 1.00 23.14 H new ATOM 0 HE2 MET A 67 0.671 -1.132 -13.152 1.00 23.14 H new ATOM 0 HE3 MET A 67 1.183 0.353 -12.316 1.00 23.14 H new ATOM 1046 N PRO A 68 -1.787 -3.216 -9.334 1.00 41.11 N ATOM 1047 CA PRO A 68 -2.629 -4.403 -9.504 1.00 34.14 C ATOM 1048 C PRO A 68 -4.089 -4.047 -9.759 1.00 11.45 C ATOM 1049 O PRO A 68 -4.879 -4.889 -10.187 1.00 11.50 O ATOM 1050 CB PRO A 68 -2.482 -5.137 -8.170 1.00 22.42 C ATOM 1051 CG PRO A 68 -2.131 -4.073 -7.188 1.00 32.11 C ATOM 1052 CD PRO A 68 -1.315 -3.064 -7.947 1.00 51.41 C ATOM 0 HA PRO A 68 -2.327 -4.996 -10.367 1.00 34.14 H new ATOM 0 HB2 PRO A 68 -3.407 -5.642 -7.892 1.00 22.42 H new ATOM 0 HB3 PRO A 68 -1.705 -5.900 -8.222 1.00 22.42 H new ATOM 0 HG2 PRO A 68 -3.028 -3.615 -6.771 1.00 32.11 H new ATOM 0 HG3 PRO A 68 -1.565 -4.484 -6.352 1.00 32.11 H new ATOM 0 HD2 PRO A 68 -1.480 -2.053 -7.575 1.00 51.41 H new ATOM 0 HD3 PRO A 68 -0.247 -3.265 -7.862 1.00 51.41 H new ATOM 1060 N VAL A 69 -4.442 -2.793 -9.492 1.00 34.42 N ATOM 1061 CA VAL A 69 -5.808 -2.325 -9.694 1.00 1.44 C ATOM 1062 C VAL A 69 -6.061 -1.978 -11.157 1.00 53.11 C ATOM 1063 O VAL A 69 -6.969 -2.521 -11.787 1.00 20.43 O ATOM 1064 CB VAL A 69 -6.112 -1.088 -8.826 1.00 65.41 C ATOM 1065 CG1 VAL A 69 -7.381 -0.400 -9.302 1.00 14.32 C ATOM 1066 CG2 VAL A 69 -6.227 -1.482 -7.361 1.00 41.22 C ATOM 0 H VAL A 69 -3.801 -2.084 -9.136 1.00 34.42 H new ATOM 0 HA VAL A 69 -6.468 -3.140 -9.397 1.00 1.44 H new ATOM 0 HB VAL A 69 -5.286 -0.383 -8.926 1.00 65.41 H new ATOM 0 HG11 VAL A 69 -7.579 0.471 -8.677 1.00 14.32 H new ATOM 0 HG12 VAL A 69 -7.256 -0.083 -10.337 1.00 14.32 H new ATOM 0 HG13 VAL A 69 -8.219 -1.094 -9.233 1.00 14.32 H new ATOM 0 HG21 VAL A 69 -6.442 -0.597 -6.762 1.00 41.22 H new ATOM 0 HG22 VAL A 69 -7.033 -2.206 -7.241 1.00 41.22 H new ATOM 0 HG23 VAL A 69 -5.289 -1.926 -7.029 1.00 41.22 H new ATOM 1076 N LEU A 70 -5.250 -1.072 -11.693 1.00 34.14 N ATOM 1077 CA LEU A 70 -5.384 -0.653 -13.084 1.00 2.33 C ATOM 1078 C LEU A 70 -5.258 -1.846 -14.026 1.00 14.32 C ATOM 1079 O LEU A 70 -6.020 -1.976 -14.984 1.00 43.41 O ATOM 1080 CB LEU A 70 -4.325 0.396 -13.425 1.00 1.51 C ATOM 1081 CG LEU A 70 -2.875 -0.089 -13.424 1.00 14.21 C ATOM 1082 CD1 LEU A 70 -2.461 -0.538 -14.818 1.00 2.35 C ATOM 1083 CD2 LEU A 70 -1.947 1.004 -12.916 1.00 54.15 C ATOM 0 H LEU A 70 -4.493 -0.614 -11.186 1.00 34.14 H new ATOM 0 HA LEU A 70 -6.374 -0.215 -13.213 1.00 2.33 H new ATOM 0 HB2 LEU A 70 -4.550 0.803 -14.411 1.00 1.51 H new ATOM 0 HB3 LEU A 70 -4.413 1.217 -12.713 1.00 1.51 H new ATOM 0 HG LEU A 70 -2.799 -0.944 -12.752 1.00 14.21 H new ATOM 0 HD11 LEU A 70 -1.426 -0.880 -14.798 1.00 2.35 H new ATOM 0 HD12 LEU A 70 -3.106 -1.354 -15.144 1.00 2.35 H new ATOM 0 HD13 LEU A 70 -2.554 0.298 -15.512 1.00 2.35 H new ATOM 0 HD21 LEU A 70 -0.919 0.641 -12.922 1.00 54.15 H new ATOM 0 HD22 LEU A 70 -2.027 1.878 -13.562 1.00 54.15 H new ATOM 0 HD23 LEU A 70 -2.229 1.277 -11.899 1.00 54.15 H new ATOM 1095 N MET A 71 -4.292 -2.715 -13.746 1.00 11.35 N ATOM 1096 CA MET A 71 -4.068 -3.899 -14.568 1.00 14.25 C ATOM 1097 C MET A 71 -5.306 -4.791 -14.583 1.00 54.30 C ATOM 1098 O MET A 71 -5.504 -5.580 -15.507 1.00 32.33 O ATOM 1099 CB MET A 71 -2.864 -4.685 -14.049 1.00 72.21 C ATOM 1100 CG MET A 71 -3.176 -5.539 -12.830 1.00 71.34 C ATOM 1101 SD MET A 71 -1.858 -6.708 -12.447 1.00 62.54 S ATOM 1102 CE MET A 71 -2.730 -8.265 -12.603 1.00 25.32 C ATOM 0 H MET A 71 -3.652 -2.622 -12.957 1.00 11.35 H new ATOM 0 HA MET A 71 -3.866 -3.571 -15.588 1.00 14.25 H new ATOM 0 HB2 MET A 71 -2.488 -5.327 -14.846 1.00 72.21 H new ATOM 0 HB3 MET A 71 -2.065 -3.987 -13.799 1.00 72.21 H new ATOM 0 HG2 MET A 71 -3.343 -4.891 -11.970 1.00 71.34 H new ATOM 0 HG3 MET A 71 -4.103 -6.086 -13.002 1.00 71.34 H new ATOM 0 HE1 MET A 71 -2.046 -9.088 -12.395 1.00 25.32 H new ATOM 0 HE2 MET A 71 -3.556 -8.292 -11.893 1.00 25.32 H new ATOM 0 HE3 MET A 71 -3.119 -8.364 -13.616 1.00 25.32 H new ATOM 1112 N LYS A 72 -6.135 -4.662 -13.553 1.00 13.14 N ATOM 1113 CA LYS A 72 -7.355 -5.456 -13.449 1.00 23.30 C ATOM 1114 C LYS A 72 -8.392 -4.996 -14.467 1.00 32.43 C ATOM 1115 O LYS A 72 -9.212 -5.789 -14.933 1.00 11.31 O ATOM 1116 CB LYS A 72 -7.933 -5.355 -12.035 1.00 34.40 C ATOM 1117 CG LYS A 72 -8.976 -6.416 -11.728 1.00 44.03 C ATOM 1118 CD LYS A 72 -8.960 -6.805 -10.259 1.00 45.43 C ATOM 1119 CE LYS A 72 -7.729 -7.628 -9.913 1.00 53.04 C ATOM 1120 NZ LYS A 72 -7.940 -9.078 -10.181 1.00 23.32 N ATOM 0 H LYS A 72 -5.985 -4.016 -12.778 1.00 13.14 H new ATOM 0 HA LYS A 72 -7.102 -6.495 -13.659 1.00 23.30 H new ATOM 0 HB2 LYS A 72 -7.121 -5.436 -11.313 1.00 34.40 H new ATOM 0 HB3 LYS A 72 -8.380 -4.369 -11.903 1.00 34.40 H new ATOM 0 HG2 LYS A 72 -9.965 -6.044 -11.996 1.00 44.03 H new ATOM 0 HG3 LYS A 72 -8.790 -7.298 -12.341 1.00 44.03 H new ATOM 0 HD2 LYS A 72 -8.982 -5.906 -9.643 1.00 45.43 H new ATOM 0 HD3 LYS A 72 -9.858 -7.375 -10.023 1.00 45.43 H new ATOM 0 HE2 LYS A 72 -6.878 -7.271 -10.493 1.00 53.04 H new ATOM 0 HE3 LYS A 72 -7.480 -7.485 -8.861 1.00 53.04 H new ATOM 0 HZ1 LYS A 72 -7.079 -9.606 -9.933 1.00 23.32 H new ATOM 0 HZ2 LYS A 72 -8.736 -9.425 -9.608 1.00 23.32 H new ATOM 0 HZ3 LYS A 72 -8.153 -9.217 -11.189 1.00 23.32 H new ATOM 1134 N LEU A 73 -8.350 -3.714 -14.810 1.00 35.13 N ATOM 1135 CA LEU A 73 -9.287 -3.150 -15.777 1.00 14.14 C ATOM 1136 C LEU A 73 -8.965 -3.627 -17.189 1.00 15.03 C ATOM 1137 O LEU A 73 -9.865 -3.932 -17.974 1.00 1.53 O ATOM 1138 CB LEU A 73 -9.249 -1.622 -15.721 1.00 54.40 C ATOM 1139 CG LEU A 73 -9.036 -1.006 -14.338 1.00 20.32 C ATOM 1140 CD1 LEU A 73 -9.211 0.504 -14.394 1.00 24.03 C ATOM 1141 CD2 LEU A 73 -9.994 -1.619 -13.327 1.00 14.20 C ATOM 0 H LEU A 73 -7.678 -3.045 -14.434 1.00 35.13 H new ATOM 0 HA LEU A 73 -10.289 -3.492 -15.518 1.00 14.14 H new ATOM 0 HB2 LEU A 73 -8.452 -1.274 -16.378 1.00 54.40 H new ATOM 0 HB3 LEU A 73 -10.186 -1.240 -16.126 1.00 54.40 H new ATOM 0 HG LEU A 73 -8.016 -1.222 -14.018 1.00 20.32 H new ATOM 0 HD11 LEU A 73 -9.056 0.925 -13.401 1.00 24.03 H new ATOM 0 HD12 LEU A 73 -8.484 0.929 -15.086 1.00 24.03 H new ATOM 0 HD13 LEU A 73 -10.219 0.741 -14.735 1.00 24.03 H new ATOM 0 HD21 LEU A 73 -9.828 -1.168 -12.349 1.00 14.20 H new ATOM 0 HD22 LEU A 73 -11.021 -1.435 -13.641 1.00 14.20 H new ATOM 0 HD23 LEU A 73 -9.820 -2.693 -13.266 1.00 14.20 H new ATOM 1153 N LEU A 74 -7.678 -3.692 -17.507 1.00 74.04 N ATOM 1154 CA LEU A 74 -7.236 -4.135 -18.825 1.00 51.21 C ATOM 1155 C LEU A 74 -7.484 -5.629 -19.009 1.00 2.12 C ATOM 1156 O LEU A 74 -7.590 -6.116 -20.134 1.00 62.14 O ATOM 1157 CB LEU A 74 -5.751 -3.826 -19.018 1.00 64.11 C ATOM 1158 CG LEU A 74 -5.384 -2.347 -19.147 1.00 13.01 C ATOM 1159 CD1 LEU A 74 -6.249 -1.673 -20.202 1.00 73.14 C ATOM 1160 CD2 LEU A 74 -5.529 -1.643 -17.807 1.00 5.40 C ATOM 0 H LEU A 74 -6.921 -3.444 -16.870 1.00 74.04 H new ATOM 0 HA LEU A 74 -7.813 -3.594 -19.575 1.00 51.21 H new ATOM 0 HB2 LEU A 74 -5.201 -4.244 -18.175 1.00 64.11 H new ATOM 0 HB3 LEU A 74 -5.406 -4.345 -19.912 1.00 64.11 H new ATOM 0 HG LEU A 74 -4.343 -2.276 -19.461 1.00 13.01 H new ATOM 0 HD11 LEU A 74 -5.974 -0.621 -20.280 1.00 73.14 H new ATOM 0 HD12 LEU A 74 -6.095 -2.161 -21.165 1.00 73.14 H new ATOM 0 HD13 LEU A 74 -7.298 -1.754 -19.918 1.00 73.14 H new ATOM 0 HD21 LEU A 74 -5.264 -0.592 -17.918 1.00 5.40 H new ATOM 0 HD22 LEU A 74 -6.560 -1.723 -17.464 1.00 5.40 H new ATOM 0 HD23 LEU A 74 -4.867 -2.109 -17.077 1.00 5.40 H new ATOM 1172 N GLU A 75 -7.577 -6.350 -17.896 1.00 14.50 N ATOM 1173 CA GLU A 75 -7.814 -7.788 -17.936 1.00 13.24 C ATOM 1174 C GLU A 75 -9.145 -8.101 -18.614 1.00 22.44 C ATOM 1175 O GLU A 75 -9.211 -8.929 -19.521 1.00 74.24 O ATOM 1176 CB GLU A 75 -7.802 -8.369 -16.520 1.00 44.24 C ATOM 1177 CG GLU A 75 -6.420 -8.794 -16.049 1.00 55.12 C ATOM 1178 CD GLU A 75 -6.473 -9.734 -14.861 1.00 50.53 C ATOM 1179 OE1 GLU A 75 -6.364 -9.247 -13.716 1.00 41.22 O ATOM 1180 OE2 GLU A 75 -6.622 -10.955 -15.075 1.00 10.33 O ATOM 0 H GLU A 75 -7.492 -5.962 -16.956 1.00 14.50 H new ATOM 0 HA GLU A 75 -7.013 -8.246 -18.516 1.00 13.24 H new ATOM 0 HB2 GLU A 75 -8.200 -7.627 -15.828 1.00 44.24 H new ATOM 0 HB3 GLU A 75 -8.470 -9.230 -16.484 1.00 44.24 H new ATOM 0 HG2 GLU A 75 -5.894 -9.281 -16.870 1.00 55.12 H new ATOM 0 HG3 GLU A 75 -5.843 -7.909 -15.782 1.00 55.12 H new ATOM 1188 N GLU A 76 -10.204 -7.434 -18.164 1.00 64.20 N ATOM 1189 CA GLU A 76 -11.532 -7.643 -18.725 1.00 14.43 C ATOM 1190 C GLU A 76 -11.673 -6.933 -20.070 1.00 24.23 C ATOM 1191 O GLU A 76 -12.223 -7.486 -21.021 1.00 14.25 O ATOM 1192 CB GLU A 76 -12.605 -7.139 -17.756 1.00 55.33 C ATOM 1193 CG GLU A 76 -12.237 -5.838 -17.065 1.00 4.44 C ATOM 1194 CD GLU A 76 -13.421 -5.190 -16.373 1.00 3.13 C ATOM 1195 OE1 GLU A 76 -14.468 -5.014 -17.030 1.00 1.11 O ATOM 1196 OE2 GLU A 76 -13.301 -4.860 -15.174 1.00 70.12 O ATOM 0 H GLU A 76 -10.167 -6.745 -17.413 1.00 64.20 H new ATOM 0 HA GLU A 76 -11.667 -8.713 -18.882 1.00 14.43 H new ATOM 0 HB2 GLU A 76 -13.539 -7.000 -18.301 1.00 55.33 H new ATOM 0 HB3 GLU A 76 -12.788 -7.903 -17.000 1.00 55.33 H new ATOM 0 HG2 GLU A 76 -11.453 -6.029 -16.333 1.00 4.44 H new ATOM 0 HG3 GLU A 76 -11.826 -5.145 -17.799 1.00 4.44 H new ATOM 1204 N ALA A 77 -11.171 -5.705 -20.139 1.00 41.04 N ATOM 1205 CA ALA A 77 -11.238 -4.920 -21.365 1.00 3.23 C ATOM 1206 C ALA A 77 -10.237 -5.428 -22.397 1.00 12.43 C ATOM 1207 O ALA A 77 -10.178 -4.925 -23.518 1.00 53.43 O ATOM 1208 CB ALA A 77 -10.989 -3.449 -21.065 1.00 24.43 C ATOM 0 H ALA A 77 -10.713 -5.232 -19.360 1.00 41.04 H new ATOM 0 HA ALA A 77 -12.239 -5.030 -21.783 1.00 3.23 H new ATOM 0 HB1 ALA A 77 -11.042 -2.875 -21.990 1.00 24.43 H new ATOM 0 HB2 ALA A 77 -11.746 -3.086 -20.369 1.00 24.43 H new ATOM 0 HB3 ALA A 77 -10.001 -3.330 -20.621 1.00 24.43 H new ATOM 1214 N GLY A 78 -9.451 -6.427 -22.011 1.00 64.31 N ATOM 1215 CA GLY A 78 -8.463 -6.986 -22.914 1.00 52.54 C ATOM 1216 C GLY A 78 -7.420 -5.968 -23.334 1.00 21.43 C ATOM 1217 O GLY A 78 -6.776 -6.120 -24.371 1.00 22.23 O ATOM 0 H GLY A 78 -9.481 -6.860 -21.088 1.00 64.31 H new ATOM 0 HA2 GLY A 78 -7.969 -7.829 -22.431 1.00 52.54 H new ATOM 0 HA3 GLY A 78 -8.964 -7.375 -23.800 1.00 52.54 H new ATOM 1221 N GLY A 79 -7.253 -4.927 -22.524 1.00 52.42 N ATOM 1222 CA GLY A 79 -6.281 -3.895 -22.835 1.00 5.10 C ATOM 1223 C GLY A 79 -6.895 -2.721 -23.572 1.00 34.44 C ATOM 1224 O GLY A 79 -6.272 -2.142 -24.459 1.00 61.41 O ATOM 0 H GLY A 79 -7.773 -4.780 -21.659 1.00 52.42 H new ATOM 0 HA2 GLY A 79 -5.824 -3.541 -21.911 1.00 5.10 H new ATOM 0 HA3 GLY A 79 -5.483 -4.323 -23.442 1.00 5.10 H new ATOM 1228 N ASN A 80 -8.125 -2.373 -23.204 1.00 55.15 N ATOM 1229 CA ASN A 80 -8.825 -1.262 -23.839 1.00 11.00 C ATOM 1230 C ASN A 80 -9.089 -0.141 -22.838 1.00 20.43 C ATOM 1231 O ASN A 80 -9.955 -0.261 -21.972 1.00 23.43 O ATOM 1232 CB ASN A 80 -10.146 -1.744 -24.442 1.00 34.12 C ATOM 1233 CG ASN A 80 -10.412 -1.140 -25.808 1.00 23.22 C ATOM 1234 OD1 ASN A 80 -10.524 0.182 -25.858 1.00 42.03 O flip ATOM 1235 ND2 ASN A 80 -10.516 -1.855 -26.805 1.00 54.52 N flip ATOM 0 H ASN A 80 -8.656 -2.843 -22.471 1.00 55.15 H new ATOM 0 HA ASN A 80 -8.190 -0.872 -24.634 1.00 11.00 H new ATOM 0 HB2 ASN A 80 -10.129 -2.831 -24.525 1.00 34.12 H new ATOM 0 HB3 ASN A 80 -10.964 -1.488 -23.769 1.00 34.12 H new ATOM 0 HD21 ASN A 80 -10.423 -2.867 -26.719 1.00 54.52 H new ATOM 0 HD22 ASN A 80 -10.696 -1.435 -27.717 1.00 54.52 H new ATOM 1242 N TRP A 81 -8.338 0.946 -22.964 1.00 64.23 N ATOM 1243 CA TRP A 81 -8.491 2.088 -22.070 1.00 43.32 C ATOM 1244 C TRP A 81 -9.665 2.961 -22.498 1.00 72.10 C ATOM 1245 O TRP A 81 -10.223 3.705 -21.693 1.00 42.53 O ATOM 1246 CB TRP A 81 -7.206 2.918 -22.044 1.00 13.20 C ATOM 1247 CG TRP A 81 -6.026 2.168 -21.504 1.00 42.02 C ATOM 1248 CD1 TRP A 81 -5.242 1.277 -22.179 1.00 70.24 C ATOM 1249 CD2 TRP A 81 -5.497 2.244 -20.175 1.00 40.41 C ATOM 1250 NE1 TRP A 81 -4.258 0.794 -21.349 1.00 54.03 N ATOM 1251 CE2 TRP A 81 -4.393 1.373 -20.116 1.00 71.12 C ATOM 1252 CE3 TRP A 81 -5.848 2.967 -19.031 1.00 33.14 C ATOM 1253 CZ2 TRP A 81 -3.640 1.204 -18.956 1.00 54.34 C ATOM 1254 CZ3 TRP A 81 -5.101 2.798 -17.882 1.00 65.42 C ATOM 1255 CH2 TRP A 81 -4.007 1.923 -17.851 1.00 71.14 C ATOM 0 H TRP A 81 -7.617 1.061 -23.676 1.00 64.23 H new ATOM 0 HA TRP A 81 -8.691 1.708 -21.068 1.00 43.32 H new ATOM 0 HB2 TRP A 81 -6.980 3.257 -23.055 1.00 13.20 H new ATOM 0 HB3 TRP A 81 -7.370 3.809 -21.438 1.00 13.20 H new ATOM 0 HD1 TRP A 81 -5.375 0.993 -23.213 1.00 70.24 H new ATOM 0 HE1 TRP A 81 -3.543 0.114 -21.610 1.00 54.03 H new ATOM 0 HE3 TRP A 81 -6.688 3.645 -19.046 1.00 33.14 H new ATOM 0 HZ2 TRP A 81 -2.797 0.530 -18.930 1.00 54.34 H new ATOM 0 HZ3 TRP A 81 -5.365 3.350 -16.992 1.00 65.42 H new ATOM 0 HH2 TRP A 81 -3.442 1.814 -16.937 1.00 71.14 H new ATOM 1266 N SER A 82 -10.037 2.863 -23.771 1.00 44.25 N ATOM 1267 CA SER A 82 -11.144 3.647 -24.306 1.00 72.25 C ATOM 1268 C SER A 82 -12.391 3.485 -23.444 1.00 22.23 C ATOM 1269 O SER A 82 -12.992 4.468 -23.012 1.00 4.25 O ATOM 1270 CB SER A 82 -11.446 3.224 -25.745 1.00 32.21 C ATOM 1271 OG SER A 82 -12.376 4.105 -26.351 1.00 42.34 O ATOM 0 H SER A 82 -9.588 2.249 -24.450 1.00 44.25 H new ATOM 0 HA SER A 82 -10.852 4.697 -24.297 1.00 72.25 H new ATOM 0 HB2 SER A 82 -10.523 3.210 -26.325 1.00 32.21 H new ATOM 0 HB3 SER A 82 -11.843 2.209 -25.753 1.00 32.21 H new ATOM 0 HG SER A 82 -12.551 3.814 -27.270 1.00 42.34 H new ATOM 1277 N TYR A 83 -12.774 2.237 -23.197 1.00 0.05 N ATOM 1278 CA TYR A 83 -13.952 1.945 -22.388 1.00 51.43 C ATOM 1279 C TYR A 83 -13.656 2.143 -20.904 1.00 51.53 C ATOM 1280 O TYR A 83 -14.465 2.711 -20.170 1.00 40.22 O ATOM 1281 CB TYR A 83 -14.425 0.513 -22.639 1.00 20.35 C ATOM 1282 CG TYR A 83 -15.276 -0.048 -21.521 1.00 32.21 C ATOM 1283 CD1 TYR A 83 -16.656 0.107 -21.528 1.00 12.45 C ATOM 1284 CD2 TYR A 83 -14.700 -0.732 -20.458 1.00 50.24 C ATOM 1285 CE1 TYR A 83 -17.439 -0.402 -20.509 1.00 65.25 C ATOM 1286 CE2 TYR A 83 -15.473 -1.246 -19.436 1.00 24.41 C ATOM 1287 CZ TYR A 83 -16.842 -1.079 -19.466 1.00 2.42 C ATOM 1288 OH TYR A 83 -17.616 -1.588 -18.448 1.00 63.53 O ATOM 0 H TYR A 83 -12.286 1.412 -23.545 1.00 0.05 H new ATOM 0 HA TYR A 83 -14.742 2.638 -22.677 1.00 51.43 H new ATOM 0 HB2 TYR A 83 -14.995 0.485 -23.568 1.00 20.35 H new ATOM 0 HB3 TYR A 83 -13.555 -0.129 -22.780 1.00 20.35 H new ATOM 0 HD1 TYR A 83 -17.126 0.635 -22.345 1.00 12.45 H new ATOM 0 HD2 TYR A 83 -13.628 -0.864 -20.430 1.00 50.24 H new ATOM 0 HE1 TYR A 83 -18.511 -0.271 -20.529 1.00 65.25 H new ATOM 0 HE2 TYR A 83 -15.008 -1.776 -18.618 1.00 24.41 H new ATOM 0 HH TYR A 83 -17.041 -2.037 -17.793 1.00 63.53 H new ATOM 1298 N ILE A 84 -12.492 1.672 -20.472 1.00 60.43 N ATOM 1299 CA ILE A 84 -12.088 1.798 -19.077 1.00 52.04 C ATOM 1300 C ILE A 84 -12.054 3.260 -18.645 1.00 0.51 C ATOM 1301 O ILE A 84 -12.186 3.572 -17.461 1.00 51.11 O ATOM 1302 CB ILE A 84 -10.703 1.169 -18.833 1.00 44.53 C ATOM 1303 CG1 ILE A 84 -10.743 -0.334 -19.113 1.00 13.33 C ATOM 1304 CG2 ILE A 84 -10.245 1.436 -17.407 1.00 64.03 C ATOM 1305 CD1 ILE A 84 -9.376 -0.979 -19.153 1.00 2.15 C ATOM 0 H ILE A 84 -11.812 1.200 -21.067 1.00 60.43 H new ATOM 0 HA ILE A 84 -12.830 1.264 -18.484 1.00 52.04 H new ATOM 0 HB ILE A 84 -9.987 1.626 -19.516 1.00 44.53 H new ATOM 0 HG12 ILE A 84 -11.344 -0.822 -18.345 1.00 13.33 H new ATOM 0 HG13 ILE A 84 -11.244 -0.504 -20.066 1.00 13.33 H new ATOM 0 HG21 ILE A 84 -9.265 0.986 -17.249 1.00 64.03 H new ATOM 0 HG22 ILE A 84 -10.181 2.511 -17.241 1.00 64.03 H new ATOM 0 HG23 ILE A 84 -10.960 1.003 -16.708 1.00 64.03 H new ATOM 0 HD11 ILE A 84 -9.482 -2.045 -19.356 1.00 2.15 H new ATOM 0 HD12 ILE A 84 -8.779 -0.518 -19.939 1.00 2.15 H new ATOM 0 HD13 ILE A 84 -8.880 -0.840 -18.192 1.00 2.15 H new ATOM 1317 N LYS A 85 -11.878 4.154 -19.613 1.00 32.51 N ATOM 1318 CA LYS A 85 -11.829 5.584 -19.335 1.00 31.52 C ATOM 1319 C LYS A 85 -13.175 6.240 -19.625 1.00 31.04 C ATOM 1320 O LYS A 85 -13.340 7.448 -19.447 1.00 24.03 O ATOM 1321 CB LYS A 85 -10.734 6.250 -20.170 1.00 13.14 C ATOM 1322 CG LYS A 85 -11.225 6.778 -21.507 1.00 23.44 C ATOM 1323 CD LYS A 85 -10.143 6.695 -22.571 1.00 22.44 C ATOM 1324 CE LYS A 85 -8.839 7.314 -22.090 1.00 15.12 C ATOM 1325 NZ LYS A 85 -8.213 8.168 -23.136 1.00 74.33 N ATOM 0 H LYS A 85 -11.767 3.912 -20.598 1.00 32.51 H new ATOM 0 HA LYS A 85 -11.600 5.716 -18.277 1.00 31.52 H new ATOM 0 HB2 LYS A 85 -10.304 7.073 -19.600 1.00 13.14 H new ATOM 0 HB3 LYS A 85 -9.934 5.531 -20.345 1.00 13.14 H new ATOM 0 HG2 LYS A 85 -12.096 6.206 -21.827 1.00 23.44 H new ATOM 0 HG3 LYS A 85 -11.547 7.813 -21.394 1.00 23.44 H new ATOM 0 HD2 LYS A 85 -9.975 5.652 -22.839 1.00 22.44 H new ATOM 0 HD3 LYS A 85 -10.479 7.206 -23.473 1.00 22.44 H new ATOM 0 HE2 LYS A 85 -9.028 7.911 -21.198 1.00 15.12 H new ATOM 0 HE3 LYS A 85 -8.145 6.523 -21.803 1.00 15.12 H new ATOM 0 HZ1 LYS A 85 -7.327 8.572 -22.770 1.00 74.33 H new ATOM 0 HZ2 LYS A 85 -8.010 7.593 -23.978 1.00 74.33 H new ATOM 0 HZ3 LYS A 85 -8.864 8.937 -23.392 1.00 74.33 H new ATOM 1339 N LEU A 86 -14.135 5.438 -20.073 1.00 54.43 N ATOM 1340 CA LEU A 86 -15.468 5.942 -20.388 1.00 23.33 C ATOM 1341 C LEU A 86 -16.066 6.680 -19.195 1.00 30.13 C ATOM 1342 O LEU A 86 -16.920 7.552 -19.357 1.00 62.01 O ATOM 1343 CB LEU A 86 -16.385 4.789 -20.801 1.00 1.34 C ATOM 1344 CG LEU A 86 -17.808 5.176 -21.205 1.00 35.01 C ATOM 1345 CD1 LEU A 86 -17.888 5.421 -22.705 1.00 21.24 C ATOM 1346 CD2 LEU A 86 -18.794 4.095 -20.787 1.00 65.34 C ATOM 0 H LEU A 86 -14.016 4.437 -20.226 1.00 54.43 H new ATOM 0 HA LEU A 86 -15.379 6.643 -21.218 1.00 23.33 H new ATOM 0 HB2 LEU A 86 -15.922 4.264 -21.636 1.00 1.34 H new ATOM 0 HB3 LEU A 86 -16.443 4.083 -19.973 1.00 1.34 H new ATOM 0 HG LEU A 86 -18.073 6.100 -20.691 1.00 35.01 H new ATOM 0 HD11 LEU A 86 -18.908 5.695 -22.975 1.00 21.24 H new ATOM 0 HD12 LEU A 86 -17.210 6.230 -22.978 1.00 21.24 H new ATOM 0 HD13 LEU A 86 -17.603 4.514 -23.238 1.00 21.24 H new ATOM 0 HD21 LEU A 86 -19.802 4.388 -21.083 1.00 65.34 H new ATOM 0 HD22 LEU A 86 -18.532 3.155 -21.273 1.00 65.34 H new ATOM 0 HD23 LEU A 86 -18.756 3.967 -19.705 1.00 65.34 H new ATOM 1358 N ASP A 87 -15.612 6.327 -17.998 1.00 71.35 N ATOM 1359 CA ASP A 87 -16.099 6.959 -16.778 1.00 65.14 C ATOM 1360 C ASP A 87 -14.945 7.547 -15.972 1.00 44.31 C ATOM 1361 O ASP A 87 -15.033 7.684 -14.752 1.00 72.41 O ATOM 1362 CB ASP A 87 -16.868 5.947 -15.927 1.00 1.30 C ATOM 1363 CG ASP A 87 -17.887 5.168 -16.734 1.00 11.40 C ATOM 1364 OD1 ASP A 87 -19.001 5.691 -16.947 1.00 2.35 O ATOM 1365 OD2 ASP A 87 -17.571 4.035 -17.154 1.00 4.05 O ATOM 0 H ASP A 87 -14.907 5.606 -17.846 1.00 71.35 H new ATOM 0 HA ASP A 87 -16.770 7.770 -17.061 1.00 65.14 H new ATOM 0 HB2 ASP A 87 -16.164 5.252 -15.469 1.00 1.30 H new ATOM 0 HB3 ASP A 87 -17.374 6.469 -15.115 1.00 1.30 H new ATOM 1371 N ASN A 88 -13.864 7.894 -16.662 1.00 71.12 N ATOM 1372 CA ASN A 88 -12.691 8.465 -16.011 1.00 44.44 C ATOM 1373 C ASN A 88 -12.032 7.448 -15.084 1.00 41.41 C ATOM 1374 O ASN A 88 -11.634 7.777 -13.967 1.00 24.21 O ATOM 1375 CB ASN A 88 -13.082 9.716 -15.219 1.00 62.43 C ATOM 1376 CG ASN A 88 -12.027 10.803 -15.298 1.00 53.04 C ATOM 1377 OD1 ASN A 88 -12.324 11.947 -15.640 1.00 32.15 O ATOM 1378 ND2 ASN A 88 -10.787 10.449 -14.982 1.00 13.23 N ATOM 0 H ASN A 88 -13.776 7.790 -17.673 1.00 71.12 H new ATOM 0 HA ASN A 88 -11.975 8.740 -16.785 1.00 44.44 H new ATOM 0 HB2 ASN A 88 -14.028 10.103 -15.599 1.00 62.43 H new ATOM 0 HB3 ASN A 88 -13.244 9.446 -14.176 1.00 62.43 H new ATOM 0 HD21 ASN A 88 -10.035 11.138 -15.017 1.00 13.23 H new ATOM 0 HD22 ASN A 88 -10.586 9.488 -14.704 1.00 13.23 H new ATOM 1385 N TYR A 89 -11.921 6.211 -15.557 1.00 4.02 N ATOM 1386 CA TYR A 89 -11.312 5.145 -14.771 1.00 35.44 C ATOM 1387 C TYR A 89 -12.087 4.912 -13.477 1.00 1.12 C ATOM 1388 O TYR A 89 -11.498 4.720 -12.413 1.00 22.05 O ATOM 1389 CB TYR A 89 -9.856 5.485 -14.453 1.00 20.51 C ATOM 1390 CG TYR A 89 -9.010 5.735 -15.681 1.00 13.44 C ATOM 1391 CD1 TYR A 89 -9.295 5.104 -16.885 1.00 2.11 C ATOM 1392 CD2 TYR A 89 -7.926 6.604 -15.637 1.00 2.34 C ATOM 1393 CE1 TYR A 89 -8.524 5.330 -18.010 1.00 23.15 C ATOM 1394 CE2 TYR A 89 -7.152 6.837 -16.756 1.00 72.33 C ATOM 1395 CZ TYR A 89 -7.454 6.196 -17.940 1.00 50.31 C ATOM 1396 OH TYR A 89 -6.685 6.425 -19.058 1.00 22.31 O ATOM 0 H TYR A 89 -12.245 5.922 -16.480 1.00 4.02 H new ATOM 0 HA TYR A 89 -11.343 4.229 -15.362 1.00 35.44 H new ATOM 0 HB2 TYR A 89 -9.829 6.370 -13.817 1.00 20.51 H new ATOM 0 HB3 TYR A 89 -9.418 4.668 -13.880 1.00 20.51 H new ATOM 0 HD1 TYR A 89 -10.133 4.425 -16.943 1.00 2.11 H new ATOM 0 HD2 TYR A 89 -7.685 7.106 -14.711 1.00 2.34 H new ATOM 0 HE1 TYR A 89 -8.759 4.831 -18.938 1.00 23.15 H new ATOM 0 HE2 TYR A 89 -6.315 7.517 -16.705 1.00 72.33 H new ATOM 0 HH TYR A 89 -6.265 5.587 -19.344 1.00 22.31 H new ATOM 1406 N THR A 90 -13.412 4.930 -13.577 1.00 35.42 N ATOM 1407 CA THR A 90 -14.269 4.721 -12.417 1.00 22.24 C ATOM 1408 C THR A 90 -13.948 3.399 -11.727 1.00 12.54 C ATOM 1409 O THR A 90 -14.116 3.264 -10.516 1.00 42.03 O ATOM 1410 CB THR A 90 -15.759 4.734 -12.808 1.00 63.15 C ATOM 1411 OG1 THR A 90 -16.168 6.068 -13.131 1.00 5.44 O ATOM 1412 CG2 THR A 90 -16.621 4.193 -11.678 1.00 51.21 C ATOM 0 H THR A 90 -13.915 5.087 -14.450 1.00 35.42 H new ATOM 0 HA THR A 90 -14.075 5.544 -11.729 1.00 22.24 H new ATOM 0 HB THR A 90 -15.889 4.093 -13.680 1.00 63.15 H new ATOM 0 HG1 THR A 90 -15.424 6.545 -13.554 1.00 5.44 H new ATOM 0 HG21 THR A 90 -17.669 4.212 -11.978 1.00 51.21 H new ATOM 0 HG22 THR A 90 -16.326 3.168 -11.455 1.00 51.21 H new ATOM 0 HG23 THR A 90 -16.487 4.811 -10.790 1.00 51.21 H new ATOM 1420 N ALA A 91 -13.488 2.427 -12.507 1.00 71.41 N ATOM 1421 CA ALA A 91 -13.142 1.117 -11.971 1.00 64.05 C ATOM 1422 C ALA A 91 -12.138 1.239 -10.828 1.00 0.40 C ATOM 1423 O ALA A 91 -12.199 0.490 -9.852 1.00 73.34 O ATOM 1424 CB ALA A 91 -12.585 0.226 -13.071 1.00 44.04 C ATOM 0 H ALA A 91 -13.346 2.522 -13.513 1.00 71.41 H new ATOM 0 HA ALA A 91 -14.051 0.663 -11.576 1.00 64.05 H new ATOM 0 HB1 ALA A 91 -12.331 -0.749 -12.656 1.00 44.04 H new ATOM 0 HB2 ALA A 91 -13.334 0.103 -13.854 1.00 44.04 H new ATOM 0 HB3 ALA A 91 -11.691 0.685 -13.493 1.00 44.04 H new ATOM 1430 N LEU A 92 -11.216 2.187 -10.956 1.00 23.51 N ATOM 1431 CA LEU A 92 -10.198 2.406 -9.934 1.00 3.44 C ATOM 1432 C LEU A 92 -10.822 2.949 -8.653 1.00 1.55 C ATOM 1433 O LEU A 92 -10.369 2.641 -7.550 1.00 12.45 O ATOM 1434 CB LEU A 92 -9.133 3.377 -10.447 1.00 14.05 C ATOM 1435 CG LEU A 92 -9.455 4.864 -10.301 1.00 43.53 C ATOM 1436 CD1 LEU A 92 -8.976 5.385 -8.954 1.00 14.35 C ATOM 1437 CD2 LEU A 92 -8.826 5.661 -11.436 1.00 31.53 C ATOM 0 H LEU A 92 -11.152 2.816 -11.757 1.00 23.51 H new ATOM 0 HA LEU A 92 -9.730 1.447 -9.711 1.00 3.44 H new ATOM 0 HB2 LEU A 92 -8.201 3.174 -9.920 1.00 14.05 H new ATOM 0 HB3 LEU A 92 -8.955 3.166 -11.502 1.00 14.05 H new ATOM 0 HG LEU A 92 -10.537 4.987 -10.352 1.00 43.53 H new ATOM 0 HD11 LEU A 92 -9.214 6.445 -8.868 1.00 14.35 H new ATOM 0 HD12 LEU A 92 -9.473 4.836 -8.154 1.00 14.35 H new ATOM 0 HD13 LEU A 92 -7.898 5.248 -8.873 1.00 14.35 H new ATOM 0 HD21 LEU A 92 -9.066 6.717 -11.315 1.00 31.53 H new ATOM 0 HD22 LEU A 92 -7.744 5.530 -11.416 1.00 31.53 H new ATOM 0 HD23 LEU A 92 -9.217 5.307 -12.390 1.00 31.53 H new ATOM 1449 N VAL A 93 -11.865 3.759 -8.805 1.00 33.34 N ATOM 1450 CA VAL A 93 -12.554 4.342 -7.660 1.00 10.31 C ATOM 1451 C VAL A 93 -13.188 3.261 -6.791 1.00 45.44 C ATOM 1452 O VAL A 93 -13.018 3.252 -5.571 1.00 54.44 O ATOM 1453 CB VAL A 93 -13.647 5.332 -8.106 1.00 51.25 C ATOM 1454 CG1 VAL A 93 -14.565 5.676 -6.943 1.00 61.25 C ATOM 1455 CG2 VAL A 93 -13.019 6.589 -8.690 1.00 51.34 C ATOM 0 H VAL A 93 -12.251 4.026 -9.710 1.00 33.34 H new ATOM 0 HA VAL A 93 -11.803 4.878 -7.079 1.00 10.31 H new ATOM 0 HB VAL A 93 -14.248 4.858 -8.882 1.00 51.25 H new ATOM 0 HG11 VAL A 93 -15.330 6.376 -7.278 1.00 61.25 H new ATOM 0 HG12 VAL A 93 -15.041 4.767 -6.574 1.00 61.25 H new ATOM 0 HG13 VAL A 93 -13.982 6.131 -6.142 1.00 61.25 H new ATOM 0 HG21 VAL A 93 -13.805 7.278 -9.000 1.00 51.34 H new ATOM 0 HG22 VAL A 93 -12.394 7.067 -7.936 1.00 51.34 H new ATOM 0 HG23 VAL A 93 -12.408 6.323 -9.553 1.00 51.34 H new ATOM 1465 N ASP A 94 -13.918 2.352 -7.426 1.00 14.14 N ATOM 1466 CA ASP A 94 -14.577 1.265 -6.711 1.00 52.25 C ATOM 1467 C ASP A 94 -13.566 0.210 -6.276 1.00 72.34 C ATOM 1468 O ASP A 94 -13.751 -0.462 -5.261 1.00 0.55 O ATOM 1469 CB ASP A 94 -15.654 0.627 -7.590 1.00 61.32 C ATOM 1470 CG ASP A 94 -16.753 -0.027 -6.777 1.00 63.21 C ATOM 1471 OD1 ASP A 94 -17.199 -1.129 -7.157 1.00 70.13 O ATOM 1472 OD2 ASP A 94 -17.168 0.565 -5.758 1.00 44.12 O ATOM 0 H ASP A 94 -14.069 2.346 -8.435 1.00 14.14 H new ATOM 0 HA ASP A 94 -15.047 1.681 -5.820 1.00 52.25 H new ATOM 0 HB2 ASP A 94 -16.089 1.389 -8.237 1.00 61.32 H new ATOM 0 HB3 ASP A 94 -15.194 -0.118 -8.239 1.00 61.32 H new ATOM 1478 N ALA A 95 -12.495 0.068 -7.051 1.00 11.42 N ATOM 1479 CA ALA A 95 -11.454 -0.905 -6.746 1.00 22.33 C ATOM 1480 C ALA A 95 -10.638 -0.473 -5.532 1.00 53.34 C ATOM 1481 O ALA A 95 -10.537 -1.204 -4.546 1.00 15.25 O ATOM 1482 CB ALA A 95 -10.547 -1.104 -7.951 1.00 42.14 C ATOM 0 H ALA A 95 -12.326 0.615 -7.895 1.00 11.42 H new ATOM 0 HA ALA A 95 -11.936 -1.853 -6.508 1.00 22.33 H new ATOM 0 HB1 ALA A 95 -9.774 -1.833 -7.708 1.00 42.14 H new ATOM 0 HB2 ALA A 95 -11.136 -1.466 -8.794 1.00 42.14 H new ATOM 0 HB3 ALA A 95 -10.080 -0.155 -8.216 1.00 42.14 H new ATOM 1488 N ILE A 96 -10.055 0.719 -5.612 1.00 43.52 N ATOM 1489 CA ILE A 96 -9.247 1.248 -4.519 1.00 32.21 C ATOM 1490 C ILE A 96 -10.067 1.372 -3.239 1.00 72.22 C ATOM 1491 O ILE A 96 -9.582 1.075 -2.148 1.00 72.22 O ATOM 1492 CB ILE A 96 -8.656 2.626 -4.873 1.00 20.32 C ATOM 1493 CG1 ILE A 96 -7.722 2.510 -6.078 1.00 41.25 C ATOM 1494 CG2 ILE A 96 -7.918 3.208 -3.677 1.00 5.23 C ATOM 1495 CD1 ILE A 96 -6.500 1.658 -5.815 1.00 41.44 C ATOM 0 H ILE A 96 -10.127 1.336 -6.421 1.00 43.52 H new ATOM 0 HA ILE A 96 -8.432 0.542 -4.358 1.00 32.21 H new ATOM 0 HB ILE A 96 -9.472 3.299 -5.134 1.00 20.32 H new ATOM 0 HG12 ILE A 96 -8.275 2.088 -6.917 1.00 41.25 H new ATOM 0 HG13 ILE A 96 -7.402 3.508 -6.377 1.00 41.25 H new ATOM 0 HG21 ILE A 96 -7.506 4.182 -3.942 1.00 5.23 H new ATOM 0 HG22 ILE A 96 -8.610 3.322 -2.843 1.00 5.23 H new ATOM 0 HG23 ILE A 96 -7.108 2.538 -3.388 1.00 5.23 H new ATOM 0 HD11 ILE A 96 -5.883 1.620 -6.713 1.00 41.44 H new ATOM 0 HD12 ILE A 96 -5.924 2.091 -4.997 1.00 41.44 H new ATOM 0 HD13 ILE A 96 -6.811 0.649 -5.546 1.00 41.44 H new ATOM 1507 N TYR A 97 -11.313 1.810 -3.382 1.00 44.22 N ATOM 1508 CA TYR A 97 -12.201 1.974 -2.237 1.00 63.41 C ATOM 1509 C TYR A 97 -12.419 0.644 -1.523 1.00 24.15 C ATOM 1510 O TYR A 97 -12.590 0.602 -0.304 1.00 64.43 O ATOM 1511 CB TYR A 97 -13.544 2.551 -2.685 1.00 35.13 C ATOM 1512 CG TYR A 97 -13.577 4.062 -2.708 1.00 55.41 C ATOM 1513 CD1 TYR A 97 -12.492 4.793 -3.178 1.00 12.31 C ATOM 1514 CD2 TYR A 97 -14.692 4.760 -2.261 1.00 43.22 C ATOM 1515 CE1 TYR A 97 -12.517 6.174 -3.200 1.00 20.20 C ATOM 1516 CE2 TYR A 97 -14.726 6.141 -2.281 1.00 0.03 C ATOM 1517 CZ TYR A 97 -13.637 6.843 -2.751 1.00 61.32 C ATOM 1518 OH TYR A 97 -13.667 8.219 -2.772 1.00 64.43 O ATOM 0 H TYR A 97 -11.731 2.058 -4.279 1.00 44.22 H new ATOM 0 HA TYR A 97 -11.730 2.667 -1.540 1.00 63.41 H new ATOM 0 HB2 TYR A 97 -13.777 2.176 -3.682 1.00 35.13 H new ATOM 0 HB3 TYR A 97 -14.326 2.189 -2.018 1.00 35.13 H new ATOM 0 HD1 TYR A 97 -11.615 4.272 -3.532 1.00 12.31 H new ATOM 0 HD2 TYR A 97 -15.547 4.214 -1.891 1.00 43.22 H new ATOM 0 HE1 TYR A 97 -11.665 6.727 -3.567 1.00 20.20 H new ATOM 0 HE2 TYR A 97 -15.601 6.668 -1.930 1.00 0.03 H new ATOM 0 HH TYR A 97 -14.527 8.533 -2.423 1.00 64.43 H new ATOM 1528 N SER A 98 -12.410 -0.441 -2.290 1.00 3.05 N ATOM 1529 CA SER A 98 -12.611 -1.774 -1.732 1.00 42.32 C ATOM 1530 C SER A 98 -11.349 -2.263 -1.027 1.00 3.42 C ATOM 1531 O SER A 98 -11.384 -2.633 0.147 1.00 74.22 O ATOM 1532 CB SER A 98 -13.005 -2.758 -2.835 1.00 11.32 C ATOM 1533 OG SER A 98 -12.622 -4.080 -2.500 1.00 2.53 O ATOM 0 H SER A 98 -12.266 -0.424 -3.300 1.00 3.05 H new ATOM 0 HA SER A 98 -13.417 -1.717 -1.001 1.00 42.32 H new ATOM 0 HB2 SER A 98 -14.082 -2.718 -2.995 1.00 11.32 H new ATOM 0 HB3 SER A 98 -12.533 -2.466 -3.773 1.00 11.32 H new ATOM 0 HG SER A 98 -12.886 -4.690 -3.220 1.00 2.53 H new ATOM 1539 N VAL A 99 -10.235 -2.259 -1.751 1.00 60.52 N ATOM 1540 CA VAL A 99 -8.960 -2.700 -1.197 1.00 21.11 C ATOM 1541 C VAL A 99 -8.547 -1.834 -0.013 1.00 40.24 C ATOM 1542 O VAL A 99 -8.272 -2.341 1.074 1.00 1.53 O ATOM 1543 CB VAL A 99 -7.845 -2.667 -2.258 1.00 72.54 C ATOM 1544 CG1 VAL A 99 -6.573 -3.303 -1.716 1.00 24.11 C ATOM 1545 CG2 VAL A 99 -8.299 -3.367 -3.530 1.00 24.12 C ATOM 0 H VAL A 99 -10.189 -1.955 -2.724 1.00 60.52 H new ATOM 0 HA VAL A 99 -9.099 -3.727 -0.861 1.00 21.11 H new ATOM 0 HB VAL A 99 -7.629 -1.626 -2.500 1.00 72.54 H new ATOM 0 HG11 VAL A 99 -5.796 -3.271 -2.480 1.00 24.11 H new ATOM 0 HG12 VAL A 99 -6.239 -2.755 -0.835 1.00 24.11 H new ATOM 0 HG13 VAL A 99 -6.772 -4.340 -1.444 1.00 24.11 H new ATOM 0 HG21 VAL A 99 -7.498 -3.334 -4.269 1.00 24.12 H new ATOM 0 HG22 VAL A 99 -8.544 -4.405 -3.306 1.00 24.12 H new ATOM 0 HG23 VAL A 99 -9.180 -2.864 -3.927 1.00 24.12 H new ATOM 1555 N GLU A 100 -8.504 -0.523 -0.232 1.00 0.45 N ATOM 1556 CA GLU A 100 -8.124 0.415 0.817 1.00 60.30 C ATOM 1557 C GLU A 100 -8.932 0.168 2.088 1.00 31.44 C ATOM 1558 O GLU A 100 -8.450 0.396 3.197 1.00 43.20 O ATOM 1559 CB GLU A 100 -8.328 1.856 0.343 1.00 61.53 C ATOM 1560 CG GLU A 100 -9.765 2.334 0.449 1.00 13.15 C ATOM 1561 CD GLU A 100 -9.964 3.718 -0.137 1.00 11.42 C ATOM 1562 OE1 GLU A 100 -9.005 4.255 -0.729 1.00 51.14 O ATOM 1563 OE2 GLU A 100 -11.079 4.264 -0.005 1.00 0.42 O ATOM 0 H GLU A 100 -8.728 -0.087 -1.127 1.00 0.45 H new ATOM 0 HA GLU A 100 -7.069 0.259 1.042 1.00 60.30 H new ATOM 0 HB2 GLU A 100 -7.690 2.516 0.930 1.00 61.53 H new ATOM 0 HB3 GLU A 100 -8.002 1.938 -0.694 1.00 61.53 H new ATOM 0 HG2 GLU A 100 -10.418 1.628 -0.065 1.00 13.15 H new ATOM 0 HG3 GLU A 100 -10.065 2.340 1.497 1.00 13.15 H new ATOM 1571 N ASP A 101 -10.163 -0.301 1.917 1.00 62.10 N ATOM 1572 CA ASP A 101 -11.039 -0.581 3.049 1.00 55.21 C ATOM 1573 C ASP A 101 -10.359 -1.513 4.045 1.00 43.04 C ATOM 1574 O ASP A 101 -10.024 -1.109 5.159 1.00 11.52 O ATOM 1575 CB ASP A 101 -12.351 -1.202 2.565 1.00 55.03 C ATOM 1576 CG ASP A 101 -13.428 -1.182 3.631 1.00 33.42 C ATOM 1577 OD1 ASP A 101 -14.011 -0.102 3.867 1.00 31.43 O ATOM 1578 OD2 ASP A 101 -13.690 -2.246 4.228 1.00 22.52 O ATOM 0 H ASP A 101 -10.577 -0.495 1.005 1.00 62.10 H new ATOM 0 HA ASP A 101 -11.255 0.362 3.551 1.00 55.21 H new ATOM 0 HB2 ASP A 101 -12.703 -0.661 1.686 1.00 55.03 H new ATOM 0 HB3 ASP A 101 -12.170 -2.231 2.255 1.00 55.03 H new ATOM 1584 N GLU A 102 -10.156 -2.762 3.637 1.00 61.50 N ATOM 1585 CA GLU A 102 -9.517 -3.751 4.496 1.00 63.54 C ATOM 1586 C GLU A 102 -8.187 -4.208 3.904 1.00 73.53 C ATOM 1587 O GLU A 102 -8.083 -4.454 2.702 1.00 63.34 O ATOM 1588 CB GLU A 102 -10.438 -4.956 4.699 1.00 11.20 C ATOM 1589 CG GLU A 102 -10.767 -5.694 3.411 1.00 4.32 C ATOM 1590 CD GLU A 102 -9.727 -6.738 3.055 1.00 60.12 C ATOM 1591 OE1 GLU A 102 -9.500 -6.959 1.847 1.00 63.40 O ATOM 1592 OE2 GLU A 102 -9.141 -7.333 3.983 1.00 40.21 O ATOM 0 H GLU A 102 -10.425 -3.112 2.718 1.00 61.50 H new ATOM 0 HA GLU A 102 -9.324 -3.284 5.462 1.00 63.54 H new ATOM 0 HB2 GLU A 102 -9.967 -5.650 5.395 1.00 11.20 H new ATOM 0 HB3 GLU A 102 -11.366 -4.620 5.163 1.00 11.20 H new ATOM 0 HG2 GLU A 102 -11.740 -6.175 3.511 1.00 4.32 H new ATOM 0 HG3 GLU A 102 -10.849 -4.975 2.596 1.00 4.32 H new ATOM 1600 N ASN A 103 -7.173 -4.320 4.755 1.00 72.00 N ATOM 1601 CA ASN A 103 -5.849 -4.746 4.316 1.00 61.14 C ATOM 1602 C ASN A 103 -5.257 -5.767 5.283 1.00 32.33 C ATOM 1603 O ASN A 103 -4.653 -6.756 4.867 1.00 13.13 O ATOM 1604 CB ASN A 103 -4.916 -3.540 4.196 1.00 63.31 C ATOM 1605 CG ASN A 103 -5.264 -2.654 3.015 1.00 25.11 C ATOM 1606 OD1 ASN A 103 -6.398 -1.969 3.104 1.00 3.10 O flip ATOM 1607 ND2 ASN A 103 -4.521 -2.587 2.036 1.00 61.53 N flip ATOM 0 H ASN A 103 -7.243 -4.122 5.753 1.00 72.00 H new ATOM 0 HA ASN A 103 -5.952 -5.216 3.338 1.00 61.14 H new ATOM 0 HB2 ASN A 103 -4.965 -2.954 5.113 1.00 63.31 H new ATOM 0 HB3 ASN A 103 -3.888 -3.888 4.095 1.00 63.31 H new ATOM 0 HD21 ASN A 103 -3.659 -3.132 2.012 1.00 61.53 H new ATOM 0 HD22 ASN A 103 -4.767 -1.987 1.249 1.00 61.53 H new ATOM 1614 N LYS A 104 -5.437 -5.521 6.577 1.00 53.25 N ATOM 1615 CA LYS A 104 -4.923 -6.419 7.604 1.00 3.12 C ATOM 1616 C LYS A 104 -5.979 -7.443 8.010 1.00 4.13 C ATOM 1617 O LYS A 104 -5.682 -8.409 8.712 1.00 44.44 O ATOM 1618 CB LYS A 104 -4.475 -5.620 8.831 1.00 71.10 C ATOM 1619 CG LYS A 104 -5.590 -4.812 9.472 1.00 22.52 C ATOM 1620 CD LYS A 104 -5.065 -3.923 10.586 1.00 24.44 C ATOM 1621 CE LYS A 104 -5.994 -2.746 10.845 1.00 31.44 C ATOM 1622 NZ LYS A 104 -5.740 -1.622 9.902 1.00 61.00 N ATOM 0 H LYS A 104 -5.935 -4.707 6.939 1.00 53.25 H new ATOM 0 HA LYS A 104 -4.066 -6.951 7.190 1.00 3.12 H new ATOM 0 HB2 LYS A 104 -4.064 -6.307 9.571 1.00 71.10 H new ATOM 0 HB3 LYS A 104 -3.670 -4.945 8.540 1.00 71.10 H new ATOM 0 HG2 LYS A 104 -6.077 -4.198 8.715 1.00 22.52 H new ATOM 0 HG3 LYS A 104 -6.347 -5.487 9.870 1.00 22.52 H new ATOM 0 HD2 LYS A 104 -4.955 -4.509 11.499 1.00 24.44 H new ATOM 0 HD3 LYS A 104 -4.074 -3.554 10.322 1.00 24.44 H new ATOM 0 HE2 LYS A 104 -7.030 -3.073 10.750 1.00 31.44 H new ATOM 0 HE3 LYS A 104 -5.862 -2.398 11.869 1.00 31.44 H new ATOM 0 HZ1 LYS A 104 -6.393 -0.840 10.111 1.00 61.00 H new ATOM 0 HZ2 LYS A 104 -4.759 -1.293 10.010 1.00 61.00 H new ATOM 0 HZ3 LYS A 104 -5.890 -1.947 8.926 1.00 61.00 H new ATOM 1636 N GLN A 105 -7.211 -7.224 7.562 1.00 52.33 N ATOM 1637 CA GLN A 105 -8.310 -8.128 7.878 1.00 32.53 C ATOM 1638 C GLN A 105 -8.163 -9.446 7.124 1.00 23.34 C ATOM 1639 O GLN A 105 -8.894 -10.404 7.382 1.00 60.45 O ATOM 1640 CB GLN A 105 -9.650 -7.477 7.534 1.00 1.13 C ATOM 1641 CG GLN A 105 -9.772 -6.043 8.022 1.00 3.42 C ATOM 1642 CD GLN A 105 -9.712 -5.932 9.533 1.00 55.04 C ATOM 1643 OE1 GLN A 105 -8.745 -5.171 10.033 1.00 24.12 O flip ATOM 1644 NE2 GLN A 105 -10.525 -6.525 10.242 1.00 34.45 N flip ATOM 0 H GLN A 105 -7.473 -6.429 6.979 1.00 52.33 H new ATOM 0 HA GLN A 105 -8.280 -8.336 8.948 1.00 32.53 H new ATOM 0 HB2 GLN A 105 -9.787 -7.497 6.453 1.00 1.13 H new ATOM 0 HB3 GLN A 105 -10.455 -8.070 7.969 1.00 1.13 H new ATOM 0 HG2 GLN A 105 -8.971 -5.446 7.586 1.00 3.42 H new ATOM 0 HG3 GLN A 105 -10.713 -5.622 7.668 1.00 3.42 H new ATOM 0 HE21 GLN A 105 -11.252 -7.099 9.814 1.00 34.45 H new ATOM 0 HE22 GLN A 105 -10.472 -6.442 11.257 1.00 34.45 H new ATOM 1653 N SER A 106 -7.216 -9.488 6.194 1.00 65.34 N ATOM 1654 CA SER A 106 -6.977 -10.688 5.400 1.00 20.20 C ATOM 1655 C SER A 106 -8.272 -11.188 4.767 1.00 54.41 C ATOM 1656 O SER A 106 -8.669 -12.335 4.965 1.00 15.03 O ATOM 1657 CB SER A 106 -6.364 -11.787 6.270 1.00 32.23 C ATOM 1658 OG SER A 106 -6.225 -12.996 5.543 1.00 54.40 O ATOM 0 H SER A 106 -6.601 -8.705 5.971 1.00 65.34 H new ATOM 0 HA SER A 106 -6.278 -10.433 4.603 1.00 20.20 H new ATOM 0 HB2 SER A 106 -5.389 -11.465 6.635 1.00 32.23 H new ATOM 0 HB3 SER A 106 -6.992 -11.955 7.145 1.00 32.23 H new ATOM 0 HG SER A 106 -7.105 -13.293 5.231 1.00 54.40 H new ATOM 1664 N GLU A 107 -8.924 -10.316 4.004 1.00 13.25 N ATOM 1665 CA GLU A 107 -10.175 -10.668 3.342 1.00 42.32 C ATOM 1666 C GLU A 107 -10.031 -10.579 1.825 1.00 74.21 C ATOM 1667 O GLU A 107 -10.697 -11.302 1.084 1.00 63.34 O ATOM 1668 CB GLU A 107 -11.303 -9.747 3.812 1.00 15.21 C ATOM 1669 CG GLU A 107 -12.671 -10.409 3.805 1.00 0.55 C ATOM 1670 CD GLU A 107 -13.733 -9.562 4.481 1.00 71.15 C ATOM 1671 OE1 GLU A 107 -14.915 -9.960 4.451 1.00 0.34 O ATOM 1672 OE2 GLU A 107 -13.379 -8.502 5.039 1.00 0.32 O ATOM 0 H GLU A 107 -8.607 -9.362 3.829 1.00 13.25 H new ATOM 0 HA GLU A 107 -10.420 -11.696 3.608 1.00 42.32 H new ATOM 0 HB2 GLU A 107 -11.081 -9.401 4.821 1.00 15.21 H new ATOM 0 HB3 GLU A 107 -11.332 -8.865 3.172 1.00 15.21 H new ATOM 0 HG2 GLU A 107 -12.970 -10.606 2.775 1.00 0.55 H new ATOM 0 HG3 GLU A 107 -12.606 -11.374 4.308 1.00 0.55 H new ATOM 1680 N GLY A 108 -9.156 -9.688 1.370 1.00 4.34 N ATOM 1681 CA GLY A 108 -8.941 -9.520 -0.055 1.00 32.44 C ATOM 1682 C GLY A 108 -7.476 -9.600 -0.433 1.00 73.14 C ATOM 1683 O GLY A 108 -6.639 -8.908 0.146 1.00 41.55 O ATOM 0 H GLY A 108 -8.592 -9.079 1.963 1.00 4.34 H new ATOM 0 HA2 GLY A 108 -9.495 -10.287 -0.596 1.00 32.44 H new ATOM 0 HA3 GLY A 108 -9.342 -8.556 -0.369 1.00 32.44 H new ATOM 1687 N SER A 109 -7.163 -10.449 -1.407 1.00 73.22 N ATOM 1688 CA SER A 109 -5.787 -10.622 -1.858 1.00 73.01 C ATOM 1689 C SER A 109 -5.521 -9.803 -3.118 1.00 11.40 C ATOM 1690 O SER A 109 -4.371 -9.556 -3.479 1.00 2.11 O ATOM 1691 CB SER A 109 -5.498 -12.100 -2.127 1.00 50.13 C ATOM 1692 OG SER A 109 -4.260 -12.263 -2.798 1.00 64.42 O ATOM 0 H SER A 109 -7.844 -11.028 -1.899 1.00 73.22 H new ATOM 0 HA SER A 109 -5.125 -10.267 -1.068 1.00 73.01 H new ATOM 0 HB2 SER A 109 -5.480 -12.648 -1.185 1.00 50.13 H new ATOM 0 HB3 SER A 109 -6.300 -12.527 -2.728 1.00 50.13 H new ATOM 0 HG SER A 109 -3.909 -11.385 -3.054 1.00 64.42 H new TER 1698 SER A 109