USER MOD reduce.3.24.130724 H: found=0, std=0, add=1234, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1234 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: B 58 THR OG1 : rot -148:sc= -1.97! USER MOD Set 1.2: B 66 GLN : amide:sc= -0.0175 X(o=-2,f=-2) USER MOD Set 2.1: A 56 LYS NZ :NH3+ 176:sc= 0.773 (180deg=0) USER MOD Set 2.2: B 75 ASN : amide:sc= 0.687 K(o=1.5,f=-3.2) USER MOD Set 3.1: A 45 LYS NZ :NH3+ 176:sc= 2.4 (180deg=1.01) USER MOD Set 3.2: B 65 ASN : amide:sc= 0.846 K(o=3.2,f=-6.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= 1.27 (180deg=0.704) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0694 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -131:sc= -0.424 (180deg=-3.23!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 18 ASN : amide:sc= -0.046 X(o=-0.046,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.167 USER MOD Single : A 33 LYS NZ :NH3+ 151:sc= 1.22 (180deg=-0.0446) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -1.5 K(o=-1.5,f=-5.7!) USER MOD Single : A 46 HIS : no HD1:sc= -0.021 X(o=-0.021,f=-0.019) USER MOD Single : A 47 THR OG1 : rot 76:sc= 1.29 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -65:sc= 0.955 USER MOD Single : A 58 THR OG1 : rot -167:sc= 0.626 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0932 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= 1.2 K(o=1.2,f=-1) USER MOD Single : A 70 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -129:sc= 1 (180deg=0.159) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl -137:sc=-0.000687 (180deg=-0.538) USER MOD Single : B 1 MET N :NH3+ 168:sc= 1.27 (180deg=1.15) USER MOD Single : B 2 SER OG : rot 180:sc= 0.116 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.14) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : B 9 SER OG : rot 180:sc= 0.136 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc=-0.000887 USER MOD Single : B 33 LYS NZ :NH3+ 155:sc= 1.24 (180deg=1.06) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 ASN : amide:sc= -1.21! C(o=-1.2!,f=-8.6!) USER MOD Single : B 45 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.18) USER MOD Single : B 46 HIS : no HD1:sc=-0.00347 X(o=-0.0035,f=-0.1) USER MOD Single : B 47 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 CYS SG : rot -32:sc= 1.15 USER MOD Single : B 56 LYS NZ :NH3+ 155:sc= -0.091 (180deg=-0.427) USER MOD Single : B 59 SER OG : rot 180:sc= -1.29 USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.0503 USER MOD Single : B 70 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : B 73 LYS NZ :NH3+ 168:sc= 1.28 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -50.173 61.908 45.574 1.00 52.69 N ATOM 2 CA MET A 1 -51.287 62.793 45.157 1.00 52.68 C ATOM 3 C MET A 1 -52.606 62.044 45.248 1.00 52.43 C ATOM 4 O MET A 1 -52.623 60.813 45.250 1.00 52.55 O ATOM 5 CB MET A 1 -51.039 63.243 43.713 1.00 52.98 C ATOM 6 CG MET A 1 -50.201 64.505 43.595 1.00 53.17 C ATOM 7 SD MET A 1 -49.764 64.878 41.885 1.00 53.83 S ATOM 8 CE MET A 1 -49.948 66.660 41.872 1.00 54.20 C ATOM 0 H1 MET A 1 -49.575 62.405 46.264 1.00 52.69 H new ATOM 0 H2 MET A 1 -50.559 61.045 46.008 1.00 52.69 H new ATOM 0 H3 MET A 1 -49.603 61.652 44.743 1.00 52.69 H new ATOM 0 HA MET A 1 -51.336 63.662 45.813 1.00 52.68 H new ATOM 0 HB2 MET A 1 -50.542 62.437 43.172 1.00 52.98 H new ATOM 0 HB3 MET A 1 -51.999 63.410 43.225 1.00 52.98 H new ATOM 0 HG2 MET A 1 -50.751 65.345 44.019 1.00 53.17 H new ATOM 0 HG3 MET A 1 -49.291 64.391 44.184 1.00 53.17 H new ATOM 0 HE1 MET A 1 -49.712 67.043 40.879 1.00 54.20 H new ATOM 0 HE2 MET A 1 -50.975 66.922 42.127 1.00 54.20 H new ATOM 0 HE3 MET A 1 -49.269 67.101 42.602 1.00 54.20 H new ATOM 20 N SER A 2 -53.711 62.777 45.280 1.00 52.13 N ATOM 21 CA SER A 2 -55.026 62.158 45.319 1.00 51.92 C ATOM 22 C SER A 2 -55.312 61.465 43.995 1.00 51.30 C ATOM 23 O SER A 2 -55.672 60.289 43.966 1.00 50.91 O ATOM 24 CB SER A 2 -56.099 63.204 45.613 1.00 51.94 C ATOM 25 OG SER A 2 -55.530 64.362 46.203 1.00 52.25 O ATOM 0 H SER A 2 -53.722 63.797 45.280 1.00 52.13 H new ATOM 0 HA SER A 2 -55.042 61.416 46.117 1.00 51.92 H new ATOM 0 HB2 SER A 2 -56.610 63.476 44.689 1.00 51.94 H new ATOM 0 HB3 SER A 2 -56.850 62.782 46.281 1.00 51.94 H new ATOM 0 HG SER A 2 -56.235 65.019 46.381 1.00 52.25 H new ATOM 31 N LEU A 3 -54.993 62.150 42.908 1.00 51.24 N ATOM 32 CA LEU A 3 -55.072 61.556 41.585 1.00 50.73 C ATOM 33 C LEU A 3 -53.674 61.160 41.129 1.00 49.93 C ATOM 34 O LEU A 3 -53.008 61.910 40.414 1.00 49.72 O ATOM 35 CB LEU A 3 -55.699 62.532 40.585 1.00 50.73 C ATOM 36 CG LEU A 3 -56.413 63.735 41.204 1.00 51.38 C ATOM 37 CD1 LEU A 3 -56.218 64.969 40.337 1.00 51.29 C ATOM 38 CD2 LEU A 3 -57.894 63.440 41.385 1.00 51.81 C ATOM 0 H LEU A 3 -54.676 63.120 42.917 1.00 51.24 H new ATOM 0 HA LEU A 3 -55.706 60.671 41.632 1.00 50.73 H new ATOM 0 HB2 LEU A 3 -54.916 62.898 39.920 1.00 50.73 H new ATOM 0 HB3 LEU A 3 -56.412 61.986 39.968 1.00 50.73 H new ATOM 0 HG LEU A 3 -55.979 63.929 42.185 1.00 51.38 H new ATOM 0 HD11 LEU A 3 -56.732 65.817 40.790 1.00 51.29 H new ATOM 0 HD12 LEU A 3 -55.154 65.191 40.254 1.00 51.29 H new ATOM 0 HD13 LEU A 3 -56.628 64.785 39.344 1.00 51.29 H new ATOM 0 HD21 LEU A 3 -58.386 64.307 41.826 1.00 51.81 H new ATOM 0 HD22 LEU A 3 -58.343 63.222 40.416 1.00 51.81 H new ATOM 0 HD23 LEU A 3 -58.016 62.579 42.043 1.00 51.81 H new ATOM 50 N GLU A 4 -53.203 60.027 41.630 1.00 49.54 N ATOM 51 CA GLU A 4 -51.857 59.557 41.332 1.00 48.79 C ATOM 52 C GLU A 4 -51.745 59.156 39.865 1.00 48.08 C ATOM 53 O GLU A 4 -52.594 58.429 39.344 1.00 47.64 O ATOM 54 CB GLU A 4 -51.502 58.372 42.233 1.00 48.81 C ATOM 55 CG GLU A 4 -50.713 58.766 43.471 1.00 49.11 C ATOM 56 CD GLU A 4 -49.390 59.418 43.138 1.00 49.00 C ATOM 57 OE1 GLU A 4 -48.465 58.708 42.693 1.00 49.07 O ATOM 58 OE2 GLU A 4 -49.267 60.650 43.315 1.00 48.89 O ATOM 0 H GLU A 4 -53.735 59.414 42.247 1.00 49.54 H new ATOM 0 HA GLU A 4 -51.155 60.368 41.523 1.00 48.79 H new ATOM 0 HB2 GLU A 4 -52.420 57.872 42.541 1.00 48.81 H new ATOM 0 HB3 GLU A 4 -50.923 57.649 41.658 1.00 48.81 H new ATOM 0 HG2 GLU A 4 -51.309 59.451 44.074 1.00 49.11 H new ATOM 0 HG3 GLU A 4 -50.533 57.880 44.079 1.00 49.11 H new ATOM 65 N LYS A 5 -50.731 59.684 39.191 1.00 48.00 N ATOM 66 CA LYS A 5 -50.527 59.413 37.773 1.00 47.39 C ATOM 67 C LYS A 5 -49.054 59.142 37.490 1.00 46.83 C ATOM 68 O LYS A 5 -48.481 59.666 36.529 1.00 46.53 O ATOM 69 CB LYS A 5 -51.020 60.592 36.933 1.00 47.60 C ATOM 70 CG LYS A 5 -51.621 60.183 35.600 1.00 48.09 C ATOM 71 CD LYS A 5 -53.055 59.704 35.760 1.00 48.48 C ATOM 72 CE LYS A 5 -53.991 60.421 34.800 1.00 49.07 C ATOM 73 NZ LYS A 5 -55.369 59.869 34.847 1.00 49.26 N ATOM 0 H LYS A 5 -50.035 60.304 39.605 1.00 48.00 H new ATOM 0 HA LYS A 5 -51.101 58.526 37.503 1.00 47.39 H new ATOM 0 HB2 LYS A 5 -51.766 61.146 37.503 1.00 47.60 H new ATOM 0 HB3 LYS A 5 -50.187 61.272 36.753 1.00 47.60 H new ATOM 0 HG2 LYS A 5 -51.593 61.028 34.912 1.00 48.09 H new ATOM 0 HG3 LYS A 5 -51.019 59.390 35.156 1.00 48.09 H new ATOM 0 HD2 LYS A 5 -53.103 58.630 35.583 1.00 48.48 H new ATOM 0 HD3 LYS A 5 -53.384 59.873 36.785 1.00 48.48 H new ATOM 0 HE2 LYS A 5 -54.018 61.483 35.045 1.00 49.07 H new ATOM 0 HE3 LYS A 5 -53.602 60.338 33.785 1.00 49.07 H new ATOM 0 HZ1 LYS A 5 -55.973 60.387 34.177 1.00 49.26 H new ATOM 0 HZ2 LYS A 5 -55.349 58.862 34.588 1.00 49.26 H new ATOM 0 HZ3 LYS A 5 -55.751 59.971 35.809 1.00 49.26 H new ATOM 87 N ALA A 6 -48.454 58.295 38.313 1.00 46.75 N ATOM 88 CA ALA A 6 -47.054 57.937 38.158 1.00 46.29 C ATOM 89 C ALA A 6 -46.908 56.700 37.285 1.00 45.95 C ATOM 90 O ALA A 6 -47.629 55.715 37.462 1.00 46.32 O ATOM 91 CB ALA A 6 -46.409 57.700 39.517 1.00 46.58 C ATOM 0 H ALA A 6 -48.919 57.841 39.099 1.00 46.75 H new ATOM 0 HA ALA A 6 -46.544 58.767 37.669 1.00 46.29 H new ATOM 0 HB1 ALA A 6 -45.361 57.433 39.381 1.00 46.58 H new ATOM 0 HB2 ALA A 6 -46.477 58.608 40.115 1.00 46.58 H new ATOM 0 HB3 ALA A 6 -46.927 56.889 40.029 1.00 46.58 H new ATOM 97 N HIS A 7 -45.950 56.734 36.371 1.00 45.30 N ATOM 98 CA HIS A 7 -45.688 55.594 35.505 1.00 44.97 C ATOM 99 C HIS A 7 -44.199 55.273 35.488 1.00 44.39 C ATOM 100 O HIS A 7 -43.367 56.140 35.215 1.00 43.96 O ATOM 101 CB HIS A 7 -46.213 55.839 34.075 1.00 44.96 C ATOM 102 CG HIS A 7 -45.689 57.080 33.405 1.00 45.01 C ATOM 103 ND1 HIS A 7 -44.687 57.059 32.459 1.00 44.94 N ATOM 104 CD2 HIS A 7 -46.047 58.380 33.536 1.00 45.18 C ATOM 105 CE1 HIS A 7 -44.451 58.287 32.041 1.00 45.06 C ATOM 106 NE2 HIS A 7 -45.263 59.107 32.677 1.00 45.21 N ATOM 0 H HIS A 7 -45.342 57.537 36.210 1.00 45.30 H new ATOM 0 HA HIS A 7 -46.225 54.735 35.908 1.00 44.97 H new ATOM 0 HB2 HIS A 7 -45.958 54.977 33.459 1.00 44.96 H new ATOM 0 HB3 HIS A 7 -47.301 55.895 34.109 1.00 44.96 H new ATOM 0 HD2 HIS A 7 -46.808 58.771 34.195 1.00 45.18 H new ATOM 0 HE1 HIS A 7 -43.717 58.572 31.302 1.00 45.06 H new ATOM 0 HE2 HIS A 7 -45.302 60.118 32.551 1.00 45.21 H new ATOM 115 N THR A 8 -43.871 54.059 35.891 1.00 44.44 N ATOM 116 CA THR A 8 -42.490 53.626 36.006 1.00 43.96 C ATOM 117 C THR A 8 -42.257 52.356 35.191 1.00 43.67 C ATOM 118 O THR A 8 -42.371 51.243 35.708 1.00 43.66 O ATOM 119 CB THR A 8 -42.126 53.364 37.482 1.00 44.29 C ATOM 120 OG1 THR A 8 -42.943 54.181 38.338 1.00 44.86 O ATOM 121 CG2 THR A 8 -40.656 53.657 37.741 1.00 43.97 C ATOM 0 H THR A 8 -44.554 53.346 36.148 1.00 44.44 H new ATOM 0 HA THR A 8 -41.854 54.421 35.617 1.00 43.96 H new ATOM 0 HB THR A 8 -42.310 52.312 37.698 1.00 44.29 H new ATOM 0 HG1 THR A 8 -42.709 54.010 39.274 1.00 44.86 H new ATOM 0 HG21 THR A 8 -40.426 53.464 38.789 1.00 43.97 H new ATOM 0 HG22 THR A 8 -40.041 53.016 37.110 1.00 43.97 H new ATOM 0 HG23 THR A 8 -40.447 54.701 37.510 1.00 43.97 H new ATOM 129 N SER A 9 -41.967 52.523 33.910 1.00 43.50 N ATOM 130 CA SER A 9 -41.739 51.390 33.028 1.00 43.27 C ATOM 131 C SER A 9 -40.384 51.512 32.342 1.00 42.89 C ATOM 132 O SER A 9 -40.131 52.476 31.616 1.00 42.78 O ATOM 133 CB SER A 9 -42.852 51.299 31.981 1.00 43.30 C ATOM 134 OG SER A 9 -43.728 52.415 32.064 1.00 43.56 O ATOM 0 H SER A 9 -41.884 53.434 33.458 1.00 43.50 H new ATOM 0 HA SER A 9 -41.745 50.480 33.628 1.00 43.27 H new ATOM 0 HB2 SER A 9 -42.414 51.251 30.984 1.00 43.30 H new ATOM 0 HB3 SER A 9 -43.417 50.378 32.126 1.00 43.30 H new ATOM 0 HG SER A 9 -44.428 52.333 31.383 1.00 43.56 H new ATOM 140 N VAL A 10 -39.506 50.558 32.598 1.00 42.75 N ATOM 141 CA VAL A 10 -38.175 50.570 32.009 1.00 42.43 C ATOM 142 C VAL A 10 -38.148 49.722 30.743 1.00 41.60 C ATOM 143 O VAL A 10 -38.396 48.516 30.790 1.00 41.43 O ATOM 144 CB VAL A 10 -37.107 50.043 32.992 1.00 42.78 C ATOM 145 CG1 VAL A 10 -35.721 50.510 32.578 1.00 43.09 C ATOM 146 CG2 VAL A 10 -37.413 50.486 34.413 1.00 43.59 C ATOM 0 H VAL A 10 -39.690 49.763 33.211 1.00 42.75 H new ATOM 0 HA VAL A 10 -37.940 51.607 31.768 1.00 42.43 H new ATOM 0 HB VAL A 10 -37.129 48.954 32.962 1.00 42.78 H new ATOM 0 HG11 VAL A 10 -34.983 50.128 33.283 1.00 43.09 H new ATOM 0 HG12 VAL A 10 -35.495 50.138 31.579 1.00 43.09 H new ATOM 0 HG13 VAL A 10 -35.690 51.600 32.575 1.00 43.09 H new ATOM 0 HG21 VAL A 10 -36.647 50.102 35.087 1.00 43.59 H new ATOM 0 HG22 VAL A 10 -37.425 51.575 34.460 1.00 43.59 H new ATOM 0 HG23 VAL A 10 -38.387 50.099 34.713 1.00 43.59 H new ATOM 156 N LYS A 11 -37.877 50.363 29.615 1.00 41.14 N ATOM 157 CA LYS A 11 -37.824 49.672 28.337 1.00 40.38 C ATOM 158 C LYS A 11 -36.380 49.390 27.948 1.00 39.65 C ATOM 159 O LYS A 11 -35.587 50.312 27.757 1.00 39.62 O ATOM 160 CB LYS A 11 -38.512 50.501 27.252 1.00 40.21 C ATOM 161 CG LYS A 11 -39.985 50.174 27.073 1.00 40.53 C ATOM 162 CD LYS A 11 -40.257 49.547 25.716 1.00 40.45 C ATOM 163 CE LYS A 11 -40.138 50.570 24.595 1.00 40.17 C ATOM 164 NZ LYS A 11 -39.483 50.001 23.390 1.00 40.27 N ATOM 0 H LYS A 11 -37.690 51.364 29.560 1.00 41.14 H new ATOM 0 HA LYS A 11 -38.351 48.723 28.435 1.00 40.38 H new ATOM 0 HB2 LYS A 11 -38.411 51.558 27.497 1.00 40.21 H new ATOM 0 HB3 LYS A 11 -37.996 50.343 26.305 1.00 40.21 H new ATOM 0 HG2 LYS A 11 -40.305 49.492 27.861 1.00 40.53 H new ATOM 0 HG3 LYS A 11 -40.576 51.084 27.179 1.00 40.53 H new ATOM 0 HD2 LYS A 11 -39.554 48.732 25.543 1.00 40.45 H new ATOM 0 HD3 LYS A 11 -41.256 49.112 25.709 1.00 40.45 H new ATOM 0 HE2 LYS A 11 -41.130 50.935 24.330 1.00 40.17 H new ATOM 0 HE3 LYS A 11 -39.566 51.429 24.947 1.00 40.17 H new ATOM 0 HZ1 LYS A 11 -39.422 50.730 22.651 1.00 40.27 H new ATOM 0 HZ2 LYS A 11 -38.526 49.676 23.636 1.00 40.27 H new ATOM 0 HZ3 LYS A 11 -40.042 49.197 23.038 1.00 40.27 H new ATOM 178 N LYS A 12 -36.029 48.115 27.880 1.00 39.13 N ATOM 179 CA LYS A 12 -34.669 47.715 27.550 1.00 38.46 C ATOM 180 C LYS A 12 -34.672 46.780 26.349 1.00 37.88 C ATOM 181 O LYS A 12 -35.591 45.975 26.179 1.00 37.85 O ATOM 182 CB LYS A 12 -33.998 47.021 28.738 1.00 38.37 C ATOM 183 CG LYS A 12 -34.507 47.477 30.099 1.00 38.40 C ATOM 184 CD LYS A 12 -35.144 46.327 30.867 1.00 38.58 C ATOM 185 CE LYS A 12 -34.092 45.397 31.445 1.00 38.68 C ATOM 186 NZ LYS A 12 -34.535 43.978 31.437 1.00 38.69 N ATOM 0 H LYS A 12 -36.668 47.338 28.049 1.00 39.13 H new ATOM 0 HA LYS A 12 -34.104 48.615 27.307 1.00 38.46 H new ATOM 0 HB2 LYS A 12 -34.149 45.945 28.648 1.00 38.37 H new ATOM 0 HB3 LYS A 12 -32.924 47.197 28.687 1.00 38.37 H new ATOM 0 HG2 LYS A 12 -33.681 47.890 30.678 1.00 38.40 H new ATOM 0 HG3 LYS A 12 -35.236 48.277 29.967 1.00 38.40 H new ATOM 0 HD2 LYS A 12 -35.763 46.724 31.672 1.00 38.58 H new ATOM 0 HD3 LYS A 12 -35.803 45.766 30.205 1.00 38.58 H new ATOM 0 HE2 LYS A 12 -33.170 45.492 30.871 1.00 38.68 H new ATOM 0 HE3 LYS A 12 -33.864 45.699 32.467 1.00 38.68 H new ATOM 0 HZ1 LYS A 12 -33.787 43.378 31.840 1.00 38.69 H new ATOM 0 HZ2 LYS A 12 -35.400 43.881 32.006 1.00 38.69 H new ATOM 0 HZ3 LYS A 12 -34.728 43.680 30.459 1.00 38.69 H new ATOM 200 N MET A 13 -33.634 46.866 25.532 1.00 37.50 N ATOM 201 CA MET A 13 -33.523 46.018 24.353 1.00 36.98 C ATOM 202 C MET A 13 -32.431 44.974 24.546 1.00 36.15 C ATOM 203 O MET A 13 -31.899 44.426 23.581 1.00 35.91 O ATOM 204 CB MET A 13 -33.233 46.856 23.105 1.00 37.36 C ATOM 205 CG MET A 13 -34.032 46.428 21.887 1.00 37.17 C ATOM 206 SD MET A 13 -35.673 47.175 21.841 1.00 37.20 S ATOM 207 CE MET A 13 -36.636 45.824 21.170 1.00 36.92 C ATOM 0 H MET A 13 -32.857 47.513 25.662 1.00 37.50 H new ATOM 0 HA MET A 13 -34.476 45.508 24.214 1.00 36.98 H new ATOM 0 HB2 MET A 13 -33.449 47.902 23.322 1.00 37.36 H new ATOM 0 HB3 MET A 13 -32.170 46.791 22.873 1.00 37.36 H new ATOM 0 HG2 MET A 13 -33.486 46.701 20.984 1.00 37.17 H new ATOM 0 HG3 MET A 13 -34.130 45.342 21.884 1.00 37.17 H new ATOM 0 HE1 MET A 13 -37.249 46.189 20.346 1.00 36.92 H new ATOM 0 HE2 MET A 13 -35.966 45.045 20.807 1.00 36.92 H new ATOM 0 HE3 MET A 13 -37.280 45.415 21.948 1.00 36.92 H new ATOM 217 N THR A 14 -32.108 44.704 25.800 1.00 35.77 N ATOM 218 CA THR A 14 -31.103 43.714 26.140 1.00 35.01 C ATOM 219 C THR A 14 -31.690 42.311 26.038 1.00 34.25 C ATOM 220 O THR A 14 -32.331 41.831 26.972 1.00 34.26 O ATOM 221 CB THR A 14 -30.582 43.948 27.563 1.00 35.04 C ATOM 222 OG1 THR A 14 -31.451 44.861 28.254 1.00 35.67 O ATOM 223 CG2 THR A 14 -29.168 44.507 27.535 1.00 35.17 C ATOM 0 H THR A 14 -32.533 45.163 26.606 1.00 35.77 H new ATOM 0 HA THR A 14 -30.275 43.810 25.437 1.00 35.01 H new ATOM 0 HB THR A 14 -30.566 42.992 28.087 1.00 35.04 H new ATOM 0 HG1 THR A 14 -31.116 45.007 29.163 1.00 35.67 H new ATOM 0 HG21 THR A 14 -28.819 44.665 28.555 1.00 35.17 H new ATOM 0 HG22 THR A 14 -28.508 43.801 27.031 1.00 35.17 H new ATOM 0 HG23 THR A 14 -29.162 45.456 26.999 1.00 35.17 H new ATOM 231 N PHE A 15 -31.576 41.708 24.863 1.00 33.64 N ATOM 232 CA PHE A 15 -32.183 40.409 24.616 1.00 32.92 C ATOM 233 C PHE A 15 -31.134 39.309 24.585 1.00 32.10 C ATOM 234 O PHE A 15 -31.433 38.159 24.262 1.00 31.56 O ATOM 235 CB PHE A 15 -32.967 40.431 23.302 1.00 32.71 C ATOM 236 CG PHE A 15 -34.309 41.092 23.426 1.00 32.75 C ATOM 237 CD1 PHE A 15 -35.385 40.411 23.970 1.00 32.99 C ATOM 238 CD2 PHE A 15 -34.497 42.395 22.990 1.00 32.63 C ATOM 239 CE1 PHE A 15 -36.621 41.016 24.078 1.00 33.10 C ATOM 240 CE2 PHE A 15 -35.732 43.003 23.096 1.00 32.74 C ATOM 241 CZ PHE A 15 -36.789 42.322 23.674 1.00 32.99 C ATOM 0 H PHE A 15 -31.070 42.097 24.068 1.00 33.64 H new ATOM 0 HA PHE A 15 -32.870 40.197 25.435 1.00 32.92 H new ATOM 0 HB2 PHE A 15 -32.381 40.952 22.545 1.00 32.71 H new ATOM 0 HB3 PHE A 15 -33.104 39.408 22.951 1.00 32.71 H new ATOM 0 HD1 PHE A 15 -35.256 39.395 24.314 1.00 32.99 H new ATOM 0 HD2 PHE A 15 -33.668 42.940 22.563 1.00 32.63 H new ATOM 0 HE1 PHE A 15 -37.458 40.464 24.480 1.00 33.10 H new ATOM 0 HE2 PHE A 15 -35.873 44.009 22.728 1.00 32.74 H new ATOM 0 HZ PHE A 15 -37.742 42.813 23.808 1.00 32.99 H new ATOM 251 N GLY A 16 -29.905 39.661 24.927 1.00 32.07 N ATOM 252 CA GLY A 16 -28.837 38.687 24.940 1.00 31.38 C ATOM 253 C GLY A 16 -28.236 38.480 23.570 1.00 30.74 C ATOM 254 O GLY A 16 -27.677 37.421 23.284 1.00 30.29 O ATOM 0 H GLY A 16 -29.628 40.605 25.196 1.00 32.07 H new ATOM 0 HA2 GLY A 16 -28.059 39.013 25.631 1.00 31.38 H new ATOM 0 HA3 GLY A 16 -29.219 37.737 25.315 1.00 31.38 H new ATOM 258 N GLU A 17 -28.345 39.491 22.721 1.00 30.74 N ATOM 259 CA GLU A 17 -27.795 39.416 21.376 1.00 30.20 C ATOM 260 C GLU A 17 -26.571 40.320 21.258 1.00 29.71 C ATOM 261 O GLU A 17 -26.285 40.875 20.198 1.00 29.63 O ATOM 262 CB GLU A 17 -28.853 39.804 20.342 1.00 30.52 C ATOM 263 CG GLU A 17 -30.204 39.151 20.588 1.00 30.95 C ATOM 264 CD GLU A 17 -30.455 37.958 19.688 1.00 31.17 C ATOM 265 OE1 GLU A 17 -29.616 37.032 19.678 1.00 31.29 O ATOM 266 OE2 GLU A 17 -31.483 37.942 18.977 1.00 31.28 O ATOM 0 H GLU A 17 -28.809 40.373 22.940 1.00 30.74 H new ATOM 0 HA GLU A 17 -27.488 38.388 21.180 1.00 30.20 H new ATOM 0 HB2 GLU A 17 -28.975 40.887 20.346 1.00 30.52 H new ATOM 0 HB3 GLU A 17 -28.499 39.527 19.349 1.00 30.52 H new ATOM 0 HG2 GLU A 17 -30.264 38.833 21.629 1.00 30.95 H new ATOM 0 HG3 GLU A 17 -30.992 39.888 20.434 1.00 30.95 H new ATOM 273 N ASN A 18 -25.821 40.412 22.348 1.00 29.45 N ATOM 274 CA ASN A 18 -24.591 41.193 22.371 1.00 29.03 C ATOM 275 C ASN A 18 -23.442 40.360 21.823 1.00 28.24 C ATOM 276 O ASN A 18 -22.452 40.890 21.320 1.00 28.03 O ATOM 277 CB ASN A 18 -24.284 41.655 23.801 1.00 29.10 C ATOM 278 CG ASN A 18 -23.423 42.906 23.842 1.00 28.93 C ATOM 279 OD1 ASN A 18 -22.307 42.891 24.359 1.00 28.81 O ATOM 280 ND2 ASN A 18 -23.939 44.001 23.311 1.00 29.02 N ATOM 0 H ASN A 18 -26.044 39.953 23.231 1.00 29.45 H new ATOM 0 HA ASN A 18 -24.717 42.075 21.744 1.00 29.03 H new ATOM 0 HB2 ASN A 18 -25.220 41.846 24.325 1.00 29.10 H new ATOM 0 HB3 ASN A 18 -23.777 40.852 24.337 1.00 29.10 H new ATOM 0 HD21 ASN A 18 -23.408 44.872 23.321 1.00 29.02 H new ATOM 0 HD22 ASN A 18 -24.868 43.975 22.891 1.00 29.02 H new ATOM 287 N ARG A 19 -23.632 39.047 21.842 1.00 27.89 N ATOM 288 CA ARG A 19 -22.661 38.114 21.290 1.00 27.19 C ATOM 289 C ARG A 19 -22.846 37.989 19.775 1.00 26.47 C ATOM 290 O ARG A 19 -23.265 36.946 19.266 1.00 26.25 O ATOM 291 CB ARG A 19 -22.816 36.748 21.967 1.00 27.23 C ATOM 292 CG ARG A 19 -21.716 35.755 21.629 1.00 27.00 C ATOM 293 CD ARG A 19 -22.255 34.333 21.577 1.00 27.20 C ATOM 294 NE ARG A 19 -22.829 33.912 22.857 1.00 27.45 N ATOM 295 CZ ARG A 19 -24.101 33.535 23.026 1.00 27.94 C ATOM 296 NH1 ARG A 19 -24.957 33.556 22.008 1.00 28.23 N ATOM 297 NH2 ARG A 19 -24.518 33.153 24.228 1.00 28.23 N ATOM 0 H ARG A 19 -24.459 38.602 22.239 1.00 27.89 H new ATOM 0 HA ARG A 19 -21.656 38.489 21.480 1.00 27.19 H new ATOM 0 HB2 ARG A 19 -22.841 36.891 23.047 1.00 27.23 H new ATOM 0 HB3 ARG A 19 -23.777 36.320 21.680 1.00 27.23 H new ATOM 0 HG2 ARG A 19 -21.272 36.014 20.668 1.00 27.00 H new ATOM 0 HG3 ARG A 19 -20.923 35.819 22.374 1.00 27.00 H new ATOM 0 HD2 ARG A 19 -23.015 34.263 20.799 1.00 27.20 H new ATOM 0 HD3 ARG A 19 -21.451 33.651 21.300 1.00 27.20 H new ATOM 0 HE ARG A 19 -22.218 33.906 23.674 1.00 27.45 H new ATOM 0 HH11 ARG A 19 -24.646 33.862 21.086 1.00 28.23 H new ATOM 0 HH12 ARG A 19 -25.925 33.266 22.149 1.00 28.23 H new ATOM 0 HH21 ARG A 19 -23.869 33.148 25.015 1.00 28.23 H new ATOM 0 HH22 ARG A 19 -25.487 32.864 24.364 1.00 28.23 H new ATOM 311 N ASP A 20 -22.599 39.085 19.069 1.00 26.17 N ATOM 312 CA ASP A 20 -22.800 39.126 17.626 1.00 25.54 C ATOM 313 C ASP A 20 -21.488 39.404 16.900 1.00 24.65 C ATOM 314 O ASP A 20 -21.172 40.551 16.577 1.00 24.53 O ATOM 315 CB ASP A 20 -23.837 40.192 17.261 1.00 26.03 C ATOM 316 CG ASP A 20 -24.119 40.243 15.772 1.00 25.70 C ATOM 317 OD1 ASP A 20 -24.202 39.167 15.141 1.00 25.72 O ATOM 318 OD2 ASP A 20 -24.239 41.357 15.221 1.00 25.48 O ATOM 0 H ASP A 20 -22.259 39.958 19.472 1.00 26.17 H new ATOM 0 HA ASP A 20 -23.168 38.150 17.310 1.00 25.54 H new ATOM 0 HB2 ASP A 20 -24.765 39.990 17.796 1.00 26.03 H new ATOM 0 HB3 ASP A 20 -23.483 41.168 17.594 1.00 26.03 H new ATOM 323 N LEU A 21 -20.720 38.350 16.669 1.00 24.13 N ATOM 324 CA LEU A 21 -19.442 38.460 15.975 1.00 23.35 C ATOM 325 C LEU A 21 -18.930 37.078 15.600 1.00 22.33 C ATOM 326 O LEU A 21 -18.554 36.288 16.466 1.00 21.99 O ATOM 327 CB LEU A 21 -18.407 39.185 16.842 1.00 23.63 C ATOM 328 CG LEU A 21 -17.487 40.147 16.081 1.00 23.70 C ATOM 329 CD1 LEU A 21 -17.255 41.419 16.881 1.00 24.80 C ATOM 330 CD2 LEU A 21 -16.159 39.475 15.751 1.00 23.44 C ATOM 0 H LEU A 21 -20.961 37.401 16.954 1.00 24.13 H new ATOM 0 HA LEU A 21 -19.597 39.043 15.067 1.00 23.35 H new ATOM 0 HB2 LEU A 21 -18.931 39.744 17.617 1.00 23.63 H new ATOM 0 HB3 LEU A 21 -17.792 38.440 17.347 1.00 23.63 H new ATOM 0 HG LEU A 21 -17.979 40.416 15.146 1.00 23.70 H new ATOM 0 HD11 LEU A 21 -16.600 42.086 16.321 1.00 24.80 H new ATOM 0 HD12 LEU A 21 -18.209 41.915 17.061 1.00 24.80 H new ATOM 0 HD13 LEU A 21 -16.790 41.169 17.835 1.00 24.80 H new ATOM 0 HD21 LEU A 21 -15.521 40.175 15.211 1.00 23.44 H new ATOM 0 HD22 LEU A 21 -15.665 39.172 16.674 1.00 23.44 H new ATOM 0 HD23 LEU A 21 -16.340 38.597 15.131 1.00 23.44 H new ATOM 342 N GLU A 22 -18.954 36.778 14.317 1.00 21.92 N ATOM 343 CA GLU A 22 -18.522 35.484 13.829 1.00 21.00 C ATOM 344 C GLU A 22 -17.172 35.599 13.134 1.00 20.38 C ATOM 345 O GLU A 22 -16.874 36.607 12.496 1.00 20.63 O ATOM 346 CB GLU A 22 -19.565 34.909 12.869 1.00 21.11 C ATOM 347 CG GLU A 22 -20.806 34.382 13.571 1.00 21.38 C ATOM 348 CD GLU A 22 -20.757 32.885 13.789 1.00 21.67 C ATOM 349 OE1 GLU A 22 -20.065 32.190 13.014 1.00 21.81 O ATOM 350 OE2 GLU A 22 -21.404 32.395 14.739 1.00 21.86 O ATOM 0 H GLU A 22 -19.271 37.418 13.589 1.00 21.92 H new ATOM 0 HA GLU A 22 -18.416 34.810 14.679 1.00 21.00 H new ATOM 0 HB2 GLU A 22 -19.859 35.682 12.159 1.00 21.11 H new ATOM 0 HB3 GLU A 22 -19.112 34.102 12.293 1.00 21.11 H new ATOM 0 HG2 GLU A 22 -20.915 34.883 14.533 1.00 21.38 H new ATOM 0 HG3 GLU A 22 -21.687 34.631 12.980 1.00 21.38 H new ATOM 357 N ARG A 23 -16.362 34.562 13.261 1.00 19.67 N ATOM 358 CA ARG A 23 -15.047 34.527 12.637 1.00 19.08 C ATOM 359 C ARG A 23 -14.772 33.131 12.103 1.00 18.24 C ATOM 360 O ARG A 23 -14.278 32.266 12.827 1.00 17.96 O ATOM 361 CB ARG A 23 -13.963 34.925 13.640 1.00 19.09 C ATOM 362 CG ARG A 23 -13.671 36.416 13.669 1.00 19.33 C ATOM 363 CD ARG A 23 -13.004 36.833 14.972 1.00 19.75 C ATOM 364 NE ARG A 23 -13.366 35.957 16.087 1.00 20.13 N ATOM 365 CZ ARG A 23 -13.725 36.390 17.295 1.00 20.90 C ATOM 366 NH1 ARG A 23 -13.739 37.689 17.565 1.00 21.36 N ATOM 367 NH2 ARG A 23 -14.061 35.516 18.230 1.00 21.30 N ATOM 0 H ARG A 23 -16.594 33.725 13.796 1.00 19.67 H new ATOM 0 HA ARG A 23 -15.032 35.240 11.813 1.00 19.08 H new ATOM 0 HB2 ARG A 23 -14.268 34.605 14.636 1.00 19.09 H new ATOM 0 HB3 ARG A 23 -13.045 34.389 13.400 1.00 19.09 H new ATOM 0 HG2 ARG A 23 -13.026 36.677 12.830 1.00 19.33 H new ATOM 0 HG3 ARG A 23 -14.600 36.971 13.542 1.00 19.33 H new ATOM 0 HD2 ARG A 23 -11.922 36.824 14.843 1.00 19.75 H new ATOM 0 HD3 ARG A 23 -13.288 37.858 15.211 1.00 19.75 H new ATOM 0 HE ARG A 23 -13.342 34.950 15.929 1.00 20.13 H new ATOM 0 HH11 ARG A 23 -13.474 38.362 16.846 1.00 21.36 H new ATOM 0 HH12 ARG A 23 -14.015 38.014 18.492 1.00 21.36 H new ATOM 0 HH21 ARG A 23 -14.044 34.517 18.024 1.00 21.30 H new ATOM 0 HH22 ARG A 23 -14.337 35.841 19.157 1.00 21.30 H new ATOM 381 N VAL A 24 -15.165 32.894 10.862 1.00 17.96 N ATOM 382 CA VAL A 24 -15.020 31.583 10.250 1.00 17.23 C ATOM 383 C VAL A 24 -14.232 31.681 8.949 1.00 16.44 C ATOM 384 O VAL A 24 -14.810 31.719 7.861 1.00 16.45 O ATOM 385 CB VAL A 24 -16.389 30.929 9.959 1.00 17.51 C ATOM 386 CG1 VAL A 24 -16.244 29.422 9.850 1.00 16.96 C ATOM 387 CG2 VAL A 24 -17.406 31.293 11.031 1.00 18.40 C ATOM 0 H VAL A 24 -15.589 33.596 10.256 1.00 17.96 H new ATOM 0 HA VAL A 24 -14.481 30.960 10.964 1.00 17.23 H new ATOM 0 HB VAL A 24 -16.753 31.313 9.006 1.00 17.51 H new ATOM 0 HG11 VAL A 24 -17.218 28.977 9.645 1.00 16.96 H new ATOM 0 HG12 VAL A 24 -15.556 29.180 9.040 1.00 16.96 H new ATOM 0 HG13 VAL A 24 -15.854 29.025 10.787 1.00 16.96 H new ATOM 0 HG21 VAL A 24 -18.361 30.820 10.802 1.00 18.40 H new ATOM 0 HG22 VAL A 24 -17.052 30.945 12.001 1.00 18.40 H new ATOM 0 HG23 VAL A 24 -17.535 32.375 11.058 1.00 18.40 H new ATOM 397 N VAL A 25 -12.912 31.712 9.063 1.00 15.87 N ATOM 398 CA VAL A 25 -12.048 31.769 7.891 1.00 15.18 C ATOM 399 C VAL A 25 -11.431 30.397 7.620 1.00 14.49 C ATOM 400 O VAL A 25 -10.620 29.896 8.402 1.00 14.22 O ATOM 401 CB VAL A 25 -10.938 32.842 8.038 1.00 15.12 C ATOM 402 CG1 VAL A 25 -10.256 32.759 9.397 1.00 15.22 C ATOM 403 CG2 VAL A 25 -9.914 32.729 6.916 1.00 15.32 C ATOM 0 H VAL A 25 -12.416 31.699 9.954 1.00 15.87 H new ATOM 0 HA VAL A 25 -12.667 32.057 7.042 1.00 15.18 H new ATOM 0 HB VAL A 25 -11.419 33.818 7.965 1.00 15.12 H new ATOM 0 HG11 VAL A 25 -9.484 33.526 9.464 1.00 15.22 H new ATOM 0 HG12 VAL A 25 -10.993 32.916 10.184 1.00 15.22 H new ATOM 0 HG13 VAL A 25 -9.802 31.775 9.517 1.00 15.22 H new ATOM 0 HG21 VAL A 25 -9.148 33.493 7.044 1.00 15.32 H new ATOM 0 HG22 VAL A 25 -9.451 31.743 6.944 1.00 15.32 H new ATOM 0 HG23 VAL A 25 -10.410 32.870 5.955 1.00 15.32 H new ATOM 413 N THR A 26 -11.890 29.754 6.561 1.00 14.33 N ATOM 414 CA THR A 26 -11.442 28.414 6.231 1.00 13.78 C ATOM 415 C THR A 26 -10.530 28.427 5.010 1.00 13.06 C ATOM 416 O THR A 26 -10.903 28.927 3.947 1.00 13.24 O ATOM 417 CB THR A 26 -12.639 27.485 5.959 1.00 14.30 C ATOM 418 OG1 THR A 26 -13.770 27.909 6.734 1.00 15.24 O ATOM 419 CG2 THR A 26 -12.297 26.038 6.287 1.00 14.19 C ATOM 0 H THR A 26 -12.576 30.141 5.913 1.00 14.33 H new ATOM 0 HA THR A 26 -10.884 28.038 7.089 1.00 13.78 H new ATOM 0 HB THR A 26 -12.883 27.544 4.898 1.00 14.30 H new ATOM 0 HG1 THR A 26 -14.529 27.316 6.556 1.00 15.24 H new ATOM 0 HG21 THR A 26 -13.161 25.405 6.085 1.00 14.19 H new ATOM 0 HG22 THR A 26 -11.458 25.714 5.671 1.00 14.19 H new ATOM 0 HG23 THR A 26 -12.027 25.958 7.340 1.00 14.19 H new ATOM 427 N ALA A 27 -9.342 27.868 5.168 1.00 12.38 N ATOM 428 CA ALA A 27 -8.378 27.786 4.082 1.00 11.72 C ATOM 429 C ALA A 27 -7.603 26.477 4.165 1.00 10.95 C ATOM 430 O ALA A 27 -6.565 26.395 4.822 1.00 10.49 O ATOM 431 CB ALA A 27 -7.430 28.976 4.122 1.00 11.52 C ATOM 0 H ALA A 27 -9.019 27.461 6.046 1.00 12.38 H new ATOM 0 HA ALA A 27 -8.915 27.810 3.134 1.00 11.72 H new ATOM 0 HB1 ALA A 27 -6.715 28.899 3.303 1.00 11.52 H new ATOM 0 HB2 ALA A 27 -8.000 29.899 4.021 1.00 11.52 H new ATOM 0 HB3 ALA A 27 -6.895 28.983 5.071 1.00 11.52 H new ATOM 437 N PRO A 28 -8.145 25.405 3.570 1.00 10.96 N ATOM 438 CA PRO A 28 -7.546 24.071 3.630 1.00 10.40 C ATOM 439 C PRO A 28 -6.348 23.930 2.692 1.00 9.29 C ATOM 440 O PRO A 28 -6.351 23.099 1.782 1.00 9.03 O ATOM 441 CB PRO A 28 -8.684 23.134 3.186 1.00 11.01 C ATOM 442 CG PRO A 28 -9.906 23.991 3.093 1.00 11.79 C ATOM 443 CD PRO A 28 -9.420 25.387 2.849 1.00 11.72 C ATOM 0 HA PRO A 28 -7.161 23.849 4.625 1.00 10.40 H new ATOM 0 HB2 PRO A 28 -8.457 22.671 2.225 1.00 11.01 H new ATOM 0 HB3 PRO A 28 -8.827 22.326 3.903 1.00 11.01 H new ATOM 0 HG2 PRO A 28 -10.555 23.657 2.283 1.00 11.79 H new ATOM 0 HG3 PRO A 28 -10.490 23.937 4.012 1.00 11.79 H new ATOM 0 HD2 PRO A 28 -9.289 25.592 1.786 1.00 11.72 H new ATOM 0 HD3 PRO A 28 -10.115 26.133 3.234 1.00 11.72 H new ATOM 451 N VAL A 29 -5.328 24.750 2.911 1.00 8.79 N ATOM 452 CA VAL A 29 -4.122 24.710 2.089 1.00 7.84 C ATOM 453 C VAL A 29 -3.130 23.697 2.654 1.00 7.19 C ATOM 454 O VAL A 29 -1.961 24.010 2.890 1.00 7.22 O ATOM 455 CB VAL A 29 -3.433 26.092 1.985 1.00 7.91 C ATOM 456 CG1 VAL A 29 -2.836 26.284 0.598 1.00 7.97 C ATOM 457 CG2 VAL A 29 -4.406 27.218 2.310 1.00 8.51 C ATOM 0 H VAL A 29 -5.310 25.452 3.651 1.00 8.79 H new ATOM 0 HA VAL A 29 -4.433 24.413 1.087 1.00 7.84 H new ATOM 0 HB VAL A 29 -2.628 26.124 2.719 1.00 7.91 H new ATOM 0 HG11 VAL A 29 -2.355 27.261 0.541 1.00 7.97 H new ATOM 0 HG12 VAL A 29 -2.098 25.504 0.408 1.00 7.97 H new ATOM 0 HG13 VAL A 29 -3.627 26.225 -0.150 1.00 7.97 H new ATOM 0 HG21 VAL A 29 -3.893 28.177 2.229 1.00 8.51 H new ATOM 0 HG22 VAL A 29 -5.240 27.192 1.609 1.00 8.51 H new ATOM 0 HG23 VAL A 29 -4.782 27.092 3.325 1.00 8.51 H new ATOM 467 N SER A 30 -3.621 22.497 2.905 1.00 6.88 N ATOM 468 CA SER A 30 -2.814 21.436 3.477 1.00 6.51 C ATOM 469 C SER A 30 -2.153 20.613 2.375 1.00 5.49 C ATOM 470 O SER A 30 -2.799 20.239 1.393 1.00 5.34 O ATOM 471 CB SER A 30 -3.701 20.553 4.356 1.00 7.14 C ATOM 472 OG SER A 30 -4.839 21.280 4.795 1.00 8.11 O ATOM 0 H SER A 30 -4.588 22.231 2.718 1.00 6.88 H new ATOM 0 HA SER A 30 -2.022 21.870 4.087 1.00 6.51 H new ATOM 0 HB2 SER A 30 -4.017 19.672 3.797 1.00 7.14 H new ATOM 0 HB3 SER A 30 -3.134 20.198 5.216 1.00 7.14 H new ATOM 0 HG SER A 30 -5.399 20.703 5.355 1.00 8.11 H new ATOM 478 N SER A 31 -0.855 20.385 2.513 1.00 5.13 N ATOM 479 CA SER A 31 -0.096 19.645 1.514 1.00 4.45 C ATOM 480 C SER A 31 -0.452 18.158 1.546 1.00 3.89 C ATOM 481 O SER A 31 -0.993 17.659 2.538 1.00 4.19 O ATOM 482 CB SER A 31 1.402 19.835 1.757 1.00 4.99 C ATOM 483 OG SER A 31 1.630 20.740 2.833 1.00 5.80 O ATOM 0 H SER A 31 -0.303 20.703 3.310 1.00 5.13 H new ATOM 0 HA SER A 31 -0.353 20.032 0.528 1.00 4.45 H new ATOM 0 HB2 SER A 31 1.863 18.873 1.981 1.00 4.99 H new ATOM 0 HB3 SER A 31 1.877 20.213 0.851 1.00 4.99 H new ATOM 0 HG SER A 31 2.594 20.846 2.973 1.00 5.80 H new ATOM 489 N GLY A 32 -0.175 17.466 0.454 1.00 3.41 N ATOM 490 CA GLY A 32 -0.478 16.054 0.375 1.00 3.15 C ATOM 491 C GLY A 32 -0.292 15.516 -1.025 1.00 2.12 C ATOM 492 O GLY A 32 -1.209 14.930 -1.603 1.00 2.44 O ATOM 0 H GLY A 32 0.256 17.859 -0.383 1.00 3.41 H new ATOM 0 HA2 GLY A 32 0.165 15.505 1.063 1.00 3.15 H new ATOM 0 HA3 GLY A 32 -1.506 15.885 0.696 1.00 3.15 H new ATOM 496 N LYS A 33 0.893 15.726 -1.574 1.00 1.50 N ATOM 497 CA LYS A 33 1.210 15.250 -2.911 1.00 0.87 C ATOM 498 C LYS A 33 1.835 13.861 -2.840 1.00 0.73 C ATOM 499 O LYS A 33 2.910 13.678 -2.260 1.00 0.87 O ATOM 500 CB LYS A 33 2.151 16.228 -3.613 1.00 1.50 C ATOM 501 CG LYS A 33 1.429 17.341 -4.353 1.00 2.21 C ATOM 502 CD LYS A 33 2.112 17.669 -5.668 1.00 3.19 C ATOM 503 CE LYS A 33 2.684 19.076 -5.661 1.00 4.16 C ATOM 504 NZ LYS A 33 4.164 19.071 -5.788 1.00 4.98 N ATOM 0 H LYS A 33 1.654 16.225 -1.113 1.00 1.50 H new ATOM 0 HA LYS A 33 0.288 15.186 -3.489 1.00 0.87 H new ATOM 0 HB2 LYS A 33 2.820 16.669 -2.874 1.00 1.50 H new ATOM 0 HB3 LYS A 33 2.773 15.678 -4.319 1.00 1.50 H new ATOM 0 HG2 LYS A 33 0.397 17.044 -4.542 1.00 2.21 H new ATOM 0 HG3 LYS A 33 1.395 18.233 -3.727 1.00 2.21 H new ATOM 0 HD2 LYS A 33 2.911 16.951 -5.854 1.00 3.19 H new ATOM 0 HD3 LYS A 33 1.398 17.569 -6.485 1.00 3.19 H new ATOM 0 HE2 LYS A 33 2.251 19.648 -6.481 1.00 4.16 H new ATOM 0 HE3 LYS A 33 2.400 19.579 -4.737 1.00 4.16 H new ATOM 0 HZ1 LYS A 33 4.475 19.945 -6.257 1.00 4.98 H new ATOM 0 HZ2 LYS A 33 4.593 19.014 -4.843 1.00 4.98 H new ATOM 0 HZ3 LYS A 33 4.461 18.250 -6.353 1.00 4.98 H new ATOM 518 N ILE A 34 1.093 12.873 -3.312 1.00 0.64 N ATOM 519 CA ILE A 34 1.502 11.485 -3.209 1.00 0.59 C ATOM 520 C ILE A 34 1.592 10.845 -4.593 1.00 0.52 C ATOM 521 O ILE A 34 0.944 11.296 -5.542 1.00 0.59 O ATOM 522 CB ILE A 34 0.505 10.683 -2.345 1.00 0.65 C ATOM 523 CG1 ILE A 34 -0.112 11.572 -1.260 1.00 1.10 C ATOM 524 CG2 ILE A 34 1.183 9.481 -1.714 1.00 1.06 C ATOM 525 CD1 ILE A 34 -1.623 11.542 -1.243 1.00 1.67 C ATOM 0 H ILE A 34 0.195 13.011 -3.775 1.00 0.64 H new ATOM 0 HA ILE A 34 2.484 11.464 -2.737 1.00 0.59 H new ATOM 0 HB ILE A 34 -0.293 10.328 -2.997 1.00 0.65 H new ATOM 0 HG12 ILE A 34 0.261 11.255 -0.286 1.00 1.10 H new ATOM 0 HG13 ILE A 34 0.221 12.599 -1.410 1.00 1.10 H new ATOM 0 HG21 ILE A 34 0.461 8.931 -1.110 1.00 1.06 H new ATOM 0 HG22 ILE A 34 1.572 8.830 -2.497 1.00 1.06 H new ATOM 0 HG23 ILE A 34 2.004 9.817 -1.081 1.00 1.06 H new ATOM 0 HD11 ILE A 34 -1.991 12.194 -0.451 1.00 1.67 H new ATOM 0 HD12 ILE A 34 -2.005 11.888 -2.204 1.00 1.67 H new ATOM 0 HD13 ILE A 34 -1.965 10.523 -1.062 1.00 1.67 H new ATOM 537 N LYS A 35 2.397 9.799 -4.691 1.00 0.50 N ATOM 538 CA LYS A 35 2.592 9.056 -5.927 1.00 0.49 C ATOM 539 C LYS A 35 2.364 7.570 -5.663 1.00 0.44 C ATOM 540 O LYS A 35 2.600 7.096 -4.556 1.00 0.47 O ATOM 541 CB LYS A 35 4.014 9.281 -6.456 1.00 0.59 C ATOM 542 CG LYS A 35 4.378 10.745 -6.654 1.00 0.92 C ATOM 543 CD LYS A 35 4.477 11.113 -8.127 1.00 1.10 C ATOM 544 CE LYS A 35 3.107 11.384 -8.729 1.00 1.08 C ATOM 545 NZ LYS A 35 3.186 12.191 -9.977 1.00 1.27 N ATOM 0 H LYS A 35 2.939 9.438 -3.906 1.00 0.50 H new ATOM 0 HA LYS A 35 1.881 9.405 -6.675 1.00 0.49 H new ATOM 0 HB2 LYS A 35 4.724 8.832 -5.762 1.00 0.59 H new ATOM 0 HB3 LYS A 35 4.124 8.759 -7.406 1.00 0.59 H new ATOM 0 HG2 LYS A 35 3.628 11.373 -6.173 1.00 0.92 H new ATOM 0 HG3 LYS A 35 5.329 10.952 -6.164 1.00 0.92 H new ATOM 0 HD2 LYS A 35 5.106 11.996 -8.241 1.00 1.10 H new ATOM 0 HD3 LYS A 35 4.962 10.304 -8.673 1.00 1.10 H new ATOM 0 HE2 LYS A 35 2.613 10.436 -8.943 1.00 1.08 H new ATOM 0 HE3 LYS A 35 2.489 11.908 -7.999 1.00 1.08 H new ATOM 0 HZ1 LYS A 35 2.228 12.349 -10.349 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 3.633 13.107 -9.770 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 3.753 11.681 -10.685 1.00 1.27 H new ATOM 559 N ARG A 36 1.912 6.835 -6.668 1.00 0.52 N ATOM 560 CA ARG A 36 1.648 5.407 -6.498 1.00 0.53 C ATOM 561 C ARG A 36 2.664 4.569 -7.260 1.00 0.56 C ATOM 562 O ARG A 36 3.226 5.013 -8.260 1.00 0.76 O ATOM 563 CB ARG A 36 0.230 5.040 -6.958 1.00 0.64 C ATOM 564 CG ARG A 36 -0.581 6.208 -7.495 1.00 1.17 C ATOM 565 CD ARG A 36 -1.543 6.746 -6.447 1.00 1.51 C ATOM 566 NE ARG A 36 -2.010 8.091 -6.776 1.00 2.02 N ATOM 567 CZ ARG A 36 -2.249 9.044 -5.873 1.00 2.75 C ATOM 568 NH1 ARG A 36 -2.056 8.808 -4.578 1.00 2.99 N ATOM 569 NH2 ARG A 36 -2.669 10.239 -6.267 1.00 3.65 N ATOM 0 H ARG A 36 1.721 7.196 -7.603 1.00 0.52 H new ATOM 0 HA ARG A 36 1.735 5.190 -5.433 1.00 0.53 H new ATOM 0 HB2 ARG A 36 0.299 4.276 -7.732 1.00 0.64 H new ATOM 0 HB3 ARG A 36 -0.307 4.596 -6.119 1.00 0.64 H new ATOM 0 HG2 ARG A 36 0.092 7.003 -7.815 1.00 1.17 H new ATOM 0 HG3 ARG A 36 -1.140 5.890 -8.375 1.00 1.17 H new ATOM 0 HD2 ARG A 36 -2.398 6.076 -6.361 1.00 1.51 H new ATOM 0 HD3 ARG A 36 -1.050 6.760 -5.475 1.00 1.51 H new ATOM 0 HE ARG A 36 -2.163 8.316 -7.759 1.00 2.02 H new ATOM 0 HH11 ARG A 36 -1.723 7.894 -4.270 1.00 2.99 H new ATOM 0 HH12 ARG A 36 -2.241 9.541 -3.893 1.00 2.99 H new ATOM 0 HH21 ARG A 36 -2.809 10.429 -7.259 1.00 3.65 H new ATOM 0 HH22 ARG A 36 -2.852 10.968 -5.578 1.00 3.65 H new ATOM 583 N VAL A 37 2.913 3.367 -6.757 1.00 0.49 N ATOM 584 CA VAL A 37 3.875 2.450 -7.361 1.00 0.56 C ATOM 585 C VAL A 37 3.373 1.013 -7.276 1.00 0.53 C ATOM 586 O VAL A 37 2.835 0.593 -6.246 1.00 0.55 O ATOM 587 CB VAL A 37 5.257 2.524 -6.669 1.00 0.69 C ATOM 588 CG1 VAL A 37 6.222 3.380 -7.473 1.00 1.04 C ATOM 589 CG2 VAL A 37 5.120 3.050 -5.248 1.00 1.26 C ATOM 0 H VAL A 37 2.457 3.000 -5.922 1.00 0.49 H new ATOM 0 HA VAL A 37 3.983 2.753 -8.402 1.00 0.56 H new ATOM 0 HB VAL A 37 5.665 1.515 -6.620 1.00 0.69 H new ATOM 0 HG11 VAL A 37 7.186 3.416 -6.965 1.00 1.04 H new ATOM 0 HG12 VAL A 37 6.351 2.949 -8.466 1.00 1.04 H new ATOM 0 HG13 VAL A 37 5.822 4.390 -7.565 1.00 1.04 H new ATOM 0 HG21 VAL A 37 6.103 3.094 -4.780 1.00 1.26 H new ATOM 0 HG22 VAL A 37 4.684 4.049 -5.270 1.00 1.26 H new ATOM 0 HG23 VAL A 37 4.475 2.385 -4.674 1.00 1.26 H new ATOM 599 N ASN A 38 3.654 0.239 -8.315 1.00 0.55 N ATOM 600 CA ASN A 38 3.359 -1.188 -8.314 1.00 0.56 C ATOM 601 C ASN A 38 4.659 -1.956 -8.129 1.00 0.49 C ATOM 602 O ASN A 38 5.578 -1.829 -8.937 1.00 0.57 O ATOM 603 CB ASN A 38 2.666 -1.607 -9.618 1.00 0.74 C ATOM 604 CG ASN A 38 2.767 -3.100 -9.896 1.00 0.81 C ATOM 605 OD1 ASN A 38 3.529 -3.536 -10.763 1.00 1.53 O ATOM 606 ND2 ASN A 38 1.991 -3.897 -9.177 1.00 1.00 N ATOM 0 H ASN A 38 4.088 0.577 -9.174 1.00 0.55 H new ATOM 0 HA ASN A 38 2.678 -1.415 -7.494 1.00 0.56 H new ATOM 0 HB2 ASN A 38 1.615 -1.323 -9.571 1.00 0.74 H new ATOM 0 HB3 ASN A 38 3.108 -1.058 -10.450 1.00 0.74 H new ATOM 0 HD21 ASN A 38 2.012 -4.905 -9.332 1.00 1.00 H new ATOM 0 HD22 ASN A 38 1.373 -3.503 -8.468 1.00 1.00 H new ATOM 613 N VAL A 39 4.805 -2.588 -6.978 1.00 0.41 N ATOM 614 CA VAL A 39 6.065 -3.215 -6.607 1.00 0.44 C ATOM 615 C VAL A 39 5.929 -4.733 -6.549 1.00 0.42 C ATOM 616 O VAL A 39 4.860 -5.258 -6.239 1.00 0.48 O ATOM 617 CB VAL A 39 6.566 -2.672 -5.249 1.00 0.61 C ATOM 618 CG1 VAL A 39 7.943 -3.226 -4.903 1.00 1.24 C ATOM 619 CG2 VAL A 39 6.599 -1.152 -5.271 1.00 0.63 C ATOM 0 H VAL A 39 4.066 -2.682 -6.281 1.00 0.41 H new ATOM 0 HA VAL A 39 6.798 -2.967 -7.375 1.00 0.44 H new ATOM 0 HB VAL A 39 5.870 -3.002 -4.478 1.00 0.61 H new ATOM 0 HG11 VAL A 39 8.266 -2.824 -3.942 1.00 1.24 H new ATOM 0 HG12 VAL A 39 7.893 -4.313 -4.844 1.00 1.24 H new ATOM 0 HG13 VAL A 39 8.656 -2.937 -5.675 1.00 1.24 H new ATOM 0 HG21 VAL A 39 6.953 -0.782 -4.309 1.00 0.63 H new ATOM 0 HG22 VAL A 39 7.271 -0.814 -6.060 1.00 0.63 H new ATOM 0 HG23 VAL A 39 5.596 -0.769 -5.460 1.00 0.63 H new ATOM 629 N ASN A 40 7.015 -5.424 -6.862 1.00 0.46 N ATOM 630 CA ASN A 40 7.044 -6.879 -6.838 1.00 0.51 C ATOM 631 C ASN A 40 7.836 -7.359 -5.629 1.00 0.44 C ATOM 632 O ASN A 40 8.926 -6.856 -5.357 1.00 0.56 O ATOM 633 CB ASN A 40 7.675 -7.406 -8.127 1.00 0.67 C ATOM 634 CG ASN A 40 7.407 -8.877 -8.364 1.00 1.45 C ATOM 635 OD1 ASN A 40 6.490 -9.459 -7.794 1.00 2.02 O ATOM 636 ND2 ASN A 40 8.208 -9.486 -9.223 1.00 2.13 N ATOM 0 H ASN A 40 7.898 -4.994 -7.139 1.00 0.46 H new ATOM 0 HA ASN A 40 6.025 -7.258 -6.765 1.00 0.51 H new ATOM 0 HB2 ASN A 40 7.293 -6.833 -8.972 1.00 0.67 H new ATOM 0 HB3 ASN A 40 8.752 -7.241 -8.091 1.00 0.67 H new ATOM 0 HD21 ASN A 40 8.074 -10.475 -9.432 1.00 2.13 H new ATOM 0 HD22 ASN A 40 8.959 -8.966 -9.676 1.00 2.13 H new ATOM 643 N PHE A 41 7.251 -8.265 -4.862 1.00 0.40 N ATOM 644 CA PHE A 41 7.864 -8.738 -3.631 1.00 0.45 C ATOM 645 C PHE A 41 8.104 -10.238 -3.672 1.00 0.45 C ATOM 646 O PHE A 41 7.169 -11.024 -3.806 1.00 0.56 O ATOM 647 CB PHE A 41 6.981 -8.382 -2.432 1.00 0.62 C ATOM 648 CG PHE A 41 7.313 -7.047 -1.835 1.00 0.54 C ATOM 649 CD1 PHE A 41 8.620 -6.591 -1.798 1.00 0.98 C ATOM 650 CD2 PHE A 41 6.314 -6.254 -1.297 1.00 1.14 C ATOM 651 CE1 PHE A 41 8.925 -5.368 -1.233 1.00 1.10 C ATOM 652 CE2 PHE A 41 6.612 -5.032 -0.734 1.00 1.16 C ATOM 653 CZ PHE A 41 7.939 -4.566 -0.761 1.00 0.75 C ATOM 0 H PHE A 41 6.348 -8.690 -5.072 1.00 0.40 H new ATOM 0 HA PHE A 41 8.830 -8.244 -3.527 1.00 0.45 H new ATOM 0 HB2 PHE A 41 5.937 -8.385 -2.744 1.00 0.62 H new ATOM 0 HB3 PHE A 41 7.088 -9.152 -1.668 1.00 0.62 H new ATOM 0 HD1 PHE A 41 9.410 -7.198 -2.215 1.00 0.98 H new ATOM 0 HD2 PHE A 41 5.290 -6.597 -1.319 1.00 1.14 H new ATOM 0 HE1 PHE A 41 9.955 -5.049 -1.167 1.00 1.10 H new ATOM 0 HE2 PHE A 41 5.835 -4.438 -0.277 1.00 1.16 H new ATOM 0 HZ PHE A 41 8.172 -3.573 -0.407 1.00 0.75 H new ATOM 663 N ASP A 42 9.359 -10.624 -3.507 1.00 0.45 N ATOM 664 CA ASP A 42 9.742 -12.030 -3.463 1.00 0.47 C ATOM 665 C ASP A 42 9.217 -12.688 -2.185 1.00 0.40 C ATOM 666 O ASP A 42 8.887 -12.000 -1.216 1.00 0.35 O ATOM 667 CB ASP A 42 11.269 -12.153 -3.569 1.00 0.62 C ATOM 668 CG ASP A 42 11.904 -12.943 -2.435 1.00 0.70 C ATOM 669 OD1 ASP A 42 12.250 -12.335 -1.397 1.00 1.38 O ATOM 670 OD2 ASP A 42 12.037 -14.177 -2.563 1.00 1.35 O ATOM 0 H ASP A 42 10.140 -9.976 -3.400 1.00 0.45 H new ATOM 0 HA ASP A 42 9.295 -12.552 -4.309 1.00 0.47 H new ATOM 0 HB2 ASP A 42 11.520 -12.630 -4.516 1.00 0.62 H new ATOM 0 HB3 ASP A 42 11.704 -11.154 -3.590 1.00 0.62 H new ATOM 675 N GLU A 43 9.057 -14.009 -2.238 1.00 0.46 N ATOM 676 CA GLU A 43 8.495 -14.787 -1.133 1.00 0.48 C ATOM 677 C GLU A 43 9.154 -14.442 0.204 1.00 0.40 C ATOM 678 O GLU A 43 8.463 -14.163 1.184 1.00 0.42 O ATOM 679 CB GLU A 43 8.647 -16.285 -1.421 1.00 0.65 C ATOM 680 CG GLU A 43 7.996 -17.178 -0.375 1.00 1.08 C ATOM 681 CD GLU A 43 6.509 -17.355 -0.598 1.00 1.04 C ATOM 682 OE1 GLU A 43 6.125 -18.226 -1.400 1.00 1.45 O ATOM 683 OE2 GLU A 43 5.716 -16.632 0.044 1.00 1.28 O ATOM 0 H GLU A 43 9.313 -14.572 -3.049 1.00 0.46 H new ATOM 0 HA GLU A 43 7.438 -14.532 -1.053 1.00 0.48 H new ATOM 0 HB2 GLU A 43 8.211 -16.505 -2.396 1.00 0.65 H new ATOM 0 HB3 GLU A 43 9.708 -16.528 -1.484 1.00 0.65 H new ATOM 0 HG2 GLU A 43 8.479 -18.155 -0.386 1.00 1.08 H new ATOM 0 HG3 GLU A 43 8.162 -16.752 0.614 1.00 1.08 H new ATOM 690 N GLU A 44 10.484 -14.425 0.228 1.00 0.38 N ATOM 691 CA GLU A 44 11.226 -14.090 1.444 1.00 0.42 C ATOM 692 C GLU A 44 10.883 -12.687 1.918 1.00 0.37 C ATOM 693 O GLU A 44 10.487 -12.489 3.069 1.00 0.43 O ATOM 694 CB GLU A 44 12.728 -14.171 1.197 1.00 0.52 C ATOM 695 CG GLU A 44 13.520 -14.663 2.400 1.00 0.60 C ATOM 696 CD GLU A 44 14.329 -13.569 3.072 1.00 1.56 C ATOM 697 OE1 GLU A 44 15.261 -13.030 2.434 1.00 2.34 O ATOM 698 OE2 GLU A 44 14.051 -13.257 4.248 1.00 2.19 O ATOM 0 H GLU A 44 11.071 -14.639 -0.578 1.00 0.38 H new ATOM 0 HA GLU A 44 10.942 -14.811 2.210 1.00 0.42 H new ATOM 0 HB2 GLU A 44 12.913 -14.837 0.354 1.00 0.52 H new ATOM 0 HB3 GLU A 44 13.094 -13.185 0.911 1.00 0.52 H new ATOM 0 HG2 GLU A 44 12.833 -15.096 3.127 1.00 0.60 H new ATOM 0 HG3 GLU A 44 14.192 -15.460 2.083 1.00 0.60 H new ATOM 705 N LYS A 45 11.067 -11.721 1.026 1.00 0.32 N ATOM 706 CA LYS A 45 10.827 -10.322 1.334 1.00 0.35 C ATOM 707 C LYS A 45 9.413 -10.105 1.855 1.00 0.30 C ATOM 708 O LYS A 45 9.197 -9.302 2.756 1.00 0.35 O ATOM 709 CB LYS A 45 11.061 -9.459 0.091 1.00 0.39 C ATOM 710 CG LYS A 45 12.442 -8.823 0.054 1.00 0.56 C ATOM 711 CD LYS A 45 12.708 -8.118 -1.265 1.00 0.68 C ATOM 712 CE LYS A 45 13.559 -8.974 -2.189 1.00 1.04 C ATOM 713 NZ LYS A 45 14.602 -8.170 -2.886 1.00 1.09 N ATOM 0 H LYS A 45 11.386 -11.888 0.072 1.00 0.32 H new ATOM 0 HA LYS A 45 11.527 -10.027 2.116 1.00 0.35 H new ATOM 0 HB2 LYS A 45 10.927 -10.073 -0.800 1.00 0.39 H new ATOM 0 HB3 LYS A 45 10.306 -8.674 0.054 1.00 0.39 H new ATOM 0 HG2 LYS A 45 12.534 -8.109 0.872 1.00 0.56 H new ATOM 0 HG3 LYS A 45 13.199 -9.591 0.214 1.00 0.56 H new ATOM 0 HD2 LYS A 45 11.761 -7.885 -1.752 1.00 0.68 H new ATOM 0 HD3 LYS A 45 13.212 -7.170 -1.078 1.00 0.68 H new ATOM 0 HE2 LYS A 45 14.036 -9.767 -1.613 1.00 1.04 H new ATOM 0 HE3 LYS A 45 12.920 -9.458 -2.927 1.00 1.04 H new ATOM 0 HZ1 LYS A 45 15.204 -8.800 -3.454 1.00 1.09 H new ATOM 0 HZ2 LYS A 45 14.145 -7.473 -3.509 1.00 1.09 H new ATOM 0 HZ3 LYS A 45 15.186 -7.675 -2.182 1.00 1.09 H new ATOM 727 N HIS A 46 8.460 -10.834 1.299 1.00 0.28 N ATOM 728 CA HIS A 46 7.068 -10.691 1.706 1.00 0.31 C ATOM 729 C HIS A 46 6.808 -11.368 3.051 1.00 0.32 C ATOM 730 O HIS A 46 6.098 -10.823 3.899 1.00 0.34 O ATOM 731 CB HIS A 46 6.125 -11.254 0.641 1.00 0.38 C ATOM 732 CG HIS A 46 4.700 -10.824 0.826 1.00 0.43 C ATOM 733 ND1 HIS A 46 3.655 -11.713 0.949 1.00 0.58 N ATOM 734 CD2 HIS A 46 4.155 -9.589 0.934 1.00 0.47 C ATOM 735 CE1 HIS A 46 2.530 -11.045 1.127 1.00 0.64 C ATOM 736 NE2 HIS A 46 2.804 -9.754 1.120 1.00 0.58 N ATOM 0 H HIS A 46 8.621 -11.528 0.569 1.00 0.28 H new ATOM 0 HA HIS A 46 6.870 -9.625 1.818 1.00 0.31 H new ATOM 0 HB2 HIS A 46 6.469 -10.937 -0.344 1.00 0.38 H new ATOM 0 HB3 HIS A 46 6.175 -12.343 0.660 1.00 0.38 H new ATOM 0 HD2 HIS A 46 4.684 -8.649 0.883 1.00 0.47 H new ATOM 0 HE1 HIS A 46 1.551 -11.482 1.256 1.00 0.64 H new ATOM 0 HE2 HIS A 46 2.124 -9.002 1.234 1.00 0.58 H new ATOM 745 N THR A 47 7.380 -12.549 3.242 1.00 0.33 N ATOM 746 CA THR A 47 7.196 -13.291 4.481 1.00 0.40 C ATOM 747 C THR A 47 7.797 -12.534 5.664 1.00 0.39 C ATOM 748 O THR A 47 7.126 -12.301 6.678 1.00 0.43 O ATOM 749 CB THR A 47 7.821 -14.702 4.395 1.00 0.47 C ATOM 750 OG1 THR A 47 7.346 -15.384 3.222 1.00 0.72 O ATOM 751 CG2 THR A 47 7.481 -15.525 5.630 1.00 0.60 C ATOM 0 H THR A 47 7.975 -13.013 2.555 1.00 0.33 H new ATOM 0 HA THR A 47 6.122 -13.398 4.635 1.00 0.40 H new ATOM 0 HB THR A 47 8.903 -14.587 4.338 1.00 0.47 H new ATOM 0 HG1 THR A 47 7.804 -15.031 2.431 1.00 0.72 H new ATOM 0 HG21 THR A 47 7.933 -16.513 5.544 1.00 0.60 H new ATOM 0 HG22 THR A 47 7.868 -15.025 6.518 1.00 0.60 H new ATOM 0 HG23 THR A 47 6.399 -15.627 5.713 1.00 0.60 H new ATOM 759 N ARG A 48 9.032 -12.071 5.501 1.00 0.35 N ATOM 760 CA ARG A 48 9.684 -11.302 6.547 1.00 0.38 C ATOM 761 C ARG A 48 9.028 -9.938 6.700 1.00 0.34 C ATOM 762 O ARG A 48 9.019 -9.380 7.788 1.00 0.38 O ATOM 763 CB ARG A 48 11.176 -11.132 6.275 1.00 0.42 C ATOM 764 CG ARG A 48 11.928 -10.574 7.470 1.00 0.73 C ATOM 765 CD ARG A 48 13.330 -10.121 7.109 1.00 0.80 C ATOM 766 NE ARG A 48 14.094 -11.147 6.396 1.00 0.90 N ATOM 767 CZ ARG A 48 15.408 -11.324 6.537 1.00 1.43 C ATOM 768 NH1 ARG A 48 16.092 -10.599 7.415 1.00 1.83 N ATOM 769 NH2 ARG A 48 16.035 -12.220 5.794 1.00 1.87 N ATOM 0 H ARG A 48 9.594 -12.214 4.662 1.00 0.35 H new ATOM 0 HA ARG A 48 9.570 -11.860 7.477 1.00 0.38 H new ATOM 0 HB2 ARG A 48 11.603 -12.096 6.000 1.00 0.42 H new ATOM 0 HB3 ARG A 48 11.313 -10.467 5.422 1.00 0.42 H new ATOM 0 HG2 ARG A 48 11.373 -9.733 7.885 1.00 0.73 H new ATOM 0 HG3 ARG A 48 11.984 -11.335 8.249 1.00 0.73 H new ATOM 0 HD2 ARG A 48 13.269 -9.225 6.491 1.00 0.80 H new ATOM 0 HD3 ARG A 48 13.863 -9.845 8.019 1.00 0.80 H new ATOM 0 HE ARG A 48 13.592 -11.761 5.755 1.00 0.90 H new ATOM 0 HH11 ARG A 48 15.612 -9.903 7.985 1.00 1.83 H new ATOM 0 HH12 ARG A 48 17.097 -10.739 7.519 1.00 1.83 H new ATOM 0 HH21 ARG A 48 15.514 -12.774 5.115 1.00 1.87 H new ATOM 0 HH22 ARG A 48 17.040 -12.357 5.900 1.00 1.87 H new ATOM 783 N PHE A 49 8.456 -9.420 5.617 1.00 0.32 N ATOM 784 CA PHE A 49 7.763 -8.137 5.666 1.00 0.32 C ATOM 785 C PHE A 49 6.630 -8.178 6.678 1.00 0.36 C ATOM 786 O PHE A 49 6.507 -7.291 7.520 1.00 0.39 O ATOM 787 CB PHE A 49 7.212 -7.761 4.293 1.00 0.33 C ATOM 788 CG PHE A 49 7.466 -6.332 3.928 1.00 0.39 C ATOM 789 CD1 PHE A 49 8.707 -5.763 4.138 1.00 0.85 C ATOM 790 CD2 PHE A 49 6.464 -5.558 3.365 1.00 0.85 C ATOM 791 CE1 PHE A 49 8.947 -4.452 3.793 1.00 0.94 C ATOM 792 CE2 PHE A 49 6.698 -4.244 3.019 1.00 0.92 C ATOM 793 CZ PHE A 49 7.926 -3.678 3.271 1.00 0.67 C ATOM 0 H PHE A 49 8.458 -9.866 4.700 1.00 0.32 H new ATOM 0 HA PHE A 49 8.486 -7.381 5.972 1.00 0.32 H new ATOM 0 HB2 PHE A 49 7.661 -8.407 3.539 1.00 0.33 H new ATOM 0 HB3 PHE A 49 6.138 -7.949 4.275 1.00 0.33 H new ATOM 0 HD1 PHE A 49 9.498 -6.353 4.578 1.00 0.85 H new ATOM 0 HD2 PHE A 49 5.488 -5.989 3.195 1.00 0.85 H new ATOM 0 HE1 PHE A 49 9.931 -4.028 3.930 1.00 0.94 H new ATOM 0 HE2 PHE A 49 5.919 -3.661 2.551 1.00 0.92 H new ATOM 0 HZ PHE A 49 8.093 -2.632 3.062 1.00 0.67 H new ATOM 803 N LYS A 50 5.839 -9.241 6.618 1.00 0.39 N ATOM 804 CA LYS A 50 4.739 -9.433 7.554 1.00 0.45 C ATOM 805 C LYS A 50 5.264 -9.568 8.982 1.00 0.42 C ATOM 806 O LYS A 50 4.786 -8.895 9.900 1.00 0.42 O ATOM 807 CB LYS A 50 3.933 -10.675 7.166 1.00 0.54 C ATOM 808 CG LYS A 50 3.059 -10.480 5.937 1.00 0.93 C ATOM 809 CD LYS A 50 2.825 -11.794 5.208 1.00 1.47 C ATOM 810 CE LYS A 50 1.477 -12.396 5.567 1.00 1.37 C ATOM 811 NZ LYS A 50 1.608 -13.743 6.179 1.00 2.17 N ATOM 0 H LYS A 50 5.939 -9.986 5.928 1.00 0.39 H new ATOM 0 HA LYS A 50 4.088 -8.560 7.510 1.00 0.45 H new ATOM 0 HB2 LYS A 50 4.621 -11.501 6.984 1.00 0.54 H new ATOM 0 HB3 LYS A 50 3.302 -10.965 8.007 1.00 0.54 H new ATOM 0 HG2 LYS A 50 2.102 -10.051 6.234 1.00 0.93 H new ATOM 0 HG3 LYS A 50 3.532 -9.767 5.262 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.876 -11.629 4.132 1.00 1.47 H new ATOM 0 HD3 LYS A 50 3.618 -12.498 5.460 1.00 1.47 H new ATOM 0 HE2 LYS A 50 0.958 -11.733 6.260 1.00 1.37 H new ATOM 0 HE3 LYS A 50 0.861 -12.465 4.670 1.00 1.37 H new ATOM 0 HZ1 LYS A 50 0.664 -14.114 6.407 1.00 2.17 H new ATOM 0 HZ2 LYS A 50 2.079 -14.384 5.509 1.00 2.17 H new ATOM 0 HZ3 LYS A 50 2.173 -13.675 7.050 1.00 2.17 H new ATOM 825 N ALA A 51 6.288 -10.398 9.149 1.00 0.43 N ATOM 826 CA ALA A 51 6.910 -10.596 10.454 1.00 0.46 C ATOM 827 C ALA A 51 7.485 -9.288 11.000 1.00 0.44 C ATOM 828 O ALA A 51 7.207 -8.903 12.140 1.00 0.47 O ATOM 829 CB ALA A 51 7.988 -11.662 10.361 1.00 0.53 C ATOM 0 H ALA A 51 6.706 -10.945 8.396 1.00 0.43 H new ATOM 0 HA ALA A 51 6.142 -10.932 11.151 1.00 0.46 H new ATOM 0 HB1 ALA A 51 8.446 -11.802 11.340 1.00 0.53 H new ATOM 0 HB2 ALA A 51 7.544 -12.601 10.030 1.00 0.53 H new ATOM 0 HB3 ALA A 51 8.749 -11.349 9.646 1.00 0.53 H new ATOM 835 N ALA A 52 8.267 -8.601 10.176 1.00 0.46 N ATOM 836 CA ALA A 52 8.880 -7.335 10.555 1.00 0.53 C ATOM 837 C ALA A 52 7.830 -6.272 10.871 1.00 0.53 C ATOM 838 O ALA A 52 8.014 -5.470 11.783 1.00 0.65 O ATOM 839 CB ALA A 52 9.803 -6.850 9.451 1.00 0.58 C ATOM 0 H ALA A 52 8.493 -8.905 9.229 1.00 0.46 H new ATOM 0 HA ALA A 52 9.461 -7.505 11.461 1.00 0.53 H new ATOM 0 HB1 ALA A 52 10.256 -5.903 9.745 1.00 0.58 H new ATOM 0 HB2 ALA A 52 10.586 -7.589 9.280 1.00 0.58 H new ATOM 0 HB3 ALA A 52 9.231 -6.709 8.534 1.00 0.58 H new ATOM 845 N CYS A 53 6.735 -6.261 10.113 1.00 0.48 N ATOM 846 CA CYS A 53 5.672 -5.279 10.319 1.00 0.56 C ATOM 847 C CYS A 53 5.070 -5.423 11.717 1.00 0.49 C ATOM 848 O CYS A 53 4.820 -4.427 12.401 1.00 0.53 O ATOM 849 CB CYS A 53 4.587 -5.415 9.236 1.00 0.68 C ATOM 850 SG CYS A 53 3.162 -6.432 9.695 1.00 1.29 S ATOM 0 H CYS A 53 6.561 -6.919 9.353 1.00 0.48 H new ATOM 0 HA CYS A 53 6.105 -4.282 10.238 1.00 0.56 H new ATOM 0 HB2 CYS A 53 4.232 -4.419 8.973 1.00 0.68 H new ATOM 0 HB3 CYS A 53 5.042 -5.838 8.340 1.00 0.68 H new ATOM 0 HG CYS A 53 3.545 -7.662 9.872 1.00 1.29 H new ATOM 856 N ALA A 54 4.937 -6.665 12.173 1.00 0.45 N ATOM 857 CA ALA A 54 4.451 -6.934 13.518 1.00 0.52 C ATOM 858 C ALA A 54 5.514 -6.573 14.551 1.00 0.53 C ATOM 859 O ALA A 54 5.204 -6.044 15.618 1.00 0.63 O ATOM 860 CB ALA A 54 4.045 -8.394 13.656 1.00 0.63 C ATOM 0 H ALA A 54 5.159 -7.499 11.630 1.00 0.45 H new ATOM 0 HA ALA A 54 3.572 -6.315 13.698 1.00 0.52 H new ATOM 0 HB1 ALA A 54 3.684 -8.577 14.668 1.00 0.63 H new ATOM 0 HB2 ALA A 54 3.253 -8.621 12.942 1.00 0.63 H new ATOM 0 HB3 ALA A 54 4.906 -9.032 13.457 1.00 0.63 H new ATOM 866 N ARG A 55 6.772 -6.813 14.196 1.00 0.53 N ATOM 867 CA ARG A 55 7.903 -6.499 15.065 1.00 0.66 C ATOM 868 C ARG A 55 8.040 -4.992 15.263 1.00 0.65 C ATOM 869 O ARG A 55 8.451 -4.528 16.328 1.00 0.75 O ATOM 870 CB ARG A 55 9.193 -7.062 14.466 1.00 0.77 C ATOM 871 CG ARG A 55 9.855 -8.129 15.321 1.00 1.38 C ATOM 872 CD ARG A 55 11.321 -8.297 14.958 1.00 1.87 C ATOM 873 NE ARG A 55 12.205 -7.835 16.026 1.00 2.37 N ATOM 874 CZ ARG A 55 12.891 -8.643 16.830 1.00 2.79 C ATOM 875 NH1 ARG A 55 12.886 -9.956 16.625 1.00 2.91 N ATOM 876 NH2 ARG A 55 13.616 -8.132 17.816 1.00 3.58 N ATOM 0 H ARG A 55 7.037 -7.228 13.303 1.00 0.53 H new ATOM 0 HA ARG A 55 7.723 -6.958 16.037 1.00 0.66 H new ATOM 0 HB2 ARG A 55 8.973 -7.482 13.484 1.00 0.77 H new ATOM 0 HB3 ARG A 55 9.898 -6.245 14.313 1.00 0.77 H new ATOM 0 HG2 ARG A 55 9.767 -7.860 16.374 1.00 1.38 H new ATOM 0 HG3 ARG A 55 9.335 -9.078 15.190 1.00 1.38 H new ATOM 0 HD2 ARG A 55 11.524 -9.347 14.747 1.00 1.87 H new ATOM 0 HD3 ARG A 55 11.534 -7.742 14.045 1.00 1.87 H new ATOM 0 HE ARG A 55 12.302 -6.829 16.164 1.00 2.37 H new ATOM 0 HH11 ARG A 55 12.354 -10.349 15.848 1.00 2.91 H new ATOM 0 HH12 ARG A 55 13.414 -10.571 17.244 1.00 2.91 H new ATOM 0 HH21 ARG A 55 13.646 -7.122 17.956 1.00 3.58 H new ATOM 0 HH22 ARG A 55 14.143 -8.749 18.434 1.00 3.58 H new ATOM 890 N LYS A 56 7.740 -4.235 14.217 1.00 0.59 N ATOM 891 CA LYS A 56 7.857 -2.783 14.261 1.00 0.64 C ATOM 892 C LYS A 56 6.578 -2.154 14.801 1.00 0.54 C ATOM 893 O LYS A 56 6.591 -1.029 15.307 1.00 0.67 O ATOM 894 CB LYS A 56 8.163 -2.233 12.867 1.00 0.71 C ATOM 895 CG LYS A 56 9.545 -2.599 12.352 1.00 1.15 C ATOM 896 CD LYS A 56 10.638 -2.078 13.268 1.00 1.46 C ATOM 897 CE LYS A 56 12.013 -2.236 12.643 1.00 2.01 C ATOM 898 NZ LYS A 56 12.886 -1.064 12.913 1.00 2.32 N ATOM 0 H LYS A 56 7.413 -4.603 13.324 1.00 0.59 H new ATOM 0 HA LYS A 56 8.678 -2.527 14.931 1.00 0.64 H new ATOM 0 HB2 LYS A 56 7.415 -2.606 12.168 1.00 0.71 H new ATOM 0 HB3 LYS A 56 8.069 -1.147 12.886 1.00 0.71 H new ATOM 0 HG2 LYS A 56 9.627 -3.683 12.266 1.00 1.15 H new ATOM 0 HG3 LYS A 56 9.682 -2.189 11.351 1.00 1.15 H new ATOM 0 HD2 LYS A 56 10.457 -1.026 13.490 1.00 1.46 H new ATOM 0 HD3 LYS A 56 10.605 -2.614 14.217 1.00 1.46 H new ATOM 0 HE2 LYS A 56 12.486 -3.138 13.032 1.00 2.01 H new ATOM 0 HE3 LYS A 56 11.909 -2.370 11.566 1.00 2.01 H new ATOM 0 HZ1 LYS A 56 13.835 -1.242 12.527 1.00 2.32 H new ATOM 0 HZ2 LYS A 56 12.482 -0.219 12.462 1.00 2.32 H new ATOM 0 HZ3 LYS A 56 12.953 -0.910 13.939 1.00 2.32 H new ATOM 912 N GLY A 57 5.476 -2.877 14.679 1.00 0.48 N ATOM 913 CA GLY A 57 4.200 -2.370 15.143 1.00 0.47 C ATOM 914 C GLY A 57 3.627 -1.326 14.209 1.00 0.51 C ATOM 915 O GLY A 57 3.174 -0.270 14.647 1.00 0.58 O ATOM 0 H GLY A 57 5.441 -3.809 14.266 1.00 0.48 H new ATOM 0 HA2 GLY A 57 3.495 -3.196 15.238 1.00 0.47 H new ATOM 0 HA3 GLY A 57 4.322 -1.939 16.137 1.00 0.47 H new ATOM 919 N THR A 58 3.659 -1.615 12.918 1.00 0.59 N ATOM 920 CA THR A 58 3.151 -0.693 11.919 1.00 0.73 C ATOM 921 C THR A 58 2.528 -1.464 10.757 1.00 0.56 C ATOM 922 O THR A 58 2.724 -2.676 10.642 1.00 0.53 O ATOM 923 CB THR A 58 4.271 0.248 11.410 1.00 1.06 C ATOM 924 OG1 THR A 58 3.703 1.439 10.852 1.00 2.01 O ATOM 925 CG2 THR A 58 5.158 -0.436 10.376 1.00 0.61 C ATOM 0 H THR A 58 4.033 -2.484 12.538 1.00 0.59 H new ATOM 0 HA THR A 58 2.381 -0.077 12.383 1.00 0.73 H new ATOM 0 HB THR A 58 4.894 0.508 12.266 1.00 1.06 H new ATOM 0 HG1 THR A 58 4.390 1.925 10.350 1.00 2.01 H new ATOM 0 HG21 THR A 58 5.931 0.257 10.044 1.00 0.61 H new ATOM 0 HG22 THR A 58 5.625 -1.314 10.821 1.00 0.61 H new ATOM 0 HG23 THR A 58 4.553 -0.741 9.522 1.00 0.61 H new ATOM 933 N SER A 59 1.750 -0.772 9.931 1.00 0.55 N ATOM 934 CA SER A 59 1.089 -1.392 8.793 1.00 0.50 C ATOM 935 C SER A 59 2.119 -1.862 7.769 1.00 0.44 C ATOM 936 O SER A 59 3.181 -1.254 7.632 1.00 0.43 O ATOM 937 CB SER A 59 0.121 -0.391 8.157 1.00 0.61 C ATOM 938 OG SER A 59 0.417 0.936 8.575 1.00 0.72 O ATOM 0 H SER A 59 1.562 0.226 10.032 1.00 0.55 H new ATOM 0 HA SER A 59 0.529 -2.262 9.136 1.00 0.50 H new ATOM 0 HB2 SER A 59 0.184 -0.457 7.071 1.00 0.61 H new ATOM 0 HB3 SER A 59 -0.903 -0.644 8.432 1.00 0.61 H new ATOM 0 HG SER A 59 -0.212 1.559 8.155 1.00 0.72 H new ATOM 944 N ILE A 60 1.806 -2.944 7.061 1.00 0.46 N ATOM 945 CA ILE A 60 2.718 -3.495 6.066 1.00 0.50 C ATOM 946 C ILE A 60 3.048 -2.456 4.993 1.00 0.47 C ATOM 947 O ILE A 60 4.165 -2.407 4.480 1.00 0.50 O ATOM 948 CB ILE A 60 2.144 -4.779 5.411 1.00 0.61 C ATOM 949 CG1 ILE A 60 3.251 -5.537 4.675 1.00 0.99 C ATOM 950 CG2 ILE A 60 0.987 -4.457 4.471 1.00 1.01 C ATOM 951 CD1 ILE A 60 2.822 -6.891 4.147 1.00 0.96 C ATOM 0 H ILE A 60 0.929 -3.455 7.158 1.00 0.46 H new ATOM 0 HA ILE A 60 3.637 -3.766 6.586 1.00 0.50 H new ATOM 0 HB ILE A 60 1.751 -5.417 6.203 1.00 0.61 H new ATOM 0 HG12 ILE A 60 3.603 -4.928 3.842 1.00 0.99 H new ATOM 0 HG13 ILE A 60 4.096 -5.672 5.350 1.00 0.99 H new ATOM 0 HG21 ILE A 60 0.609 -5.379 4.030 1.00 1.01 H new ATOM 0 HG22 ILE A 60 0.189 -3.969 5.030 1.00 1.01 H new ATOM 0 HG23 ILE A 60 1.335 -3.792 3.680 1.00 1.01 H new ATOM 0 HD11 ILE A 60 3.661 -7.366 3.638 1.00 0.96 H new ATOM 0 HD12 ILE A 60 2.498 -7.519 4.977 1.00 0.96 H new ATOM 0 HD13 ILE A 60 1.998 -6.763 3.445 1.00 0.96 H new ATOM 963 N THR A 61 2.091 -1.578 4.719 1.00 0.45 N ATOM 964 CA THR A 61 2.268 -0.509 3.758 1.00 0.45 C ATOM 965 C THR A 61 3.231 0.557 4.287 1.00 0.42 C ATOM 966 O THR A 61 3.998 1.164 3.529 1.00 0.41 O ATOM 967 CB THR A 61 0.907 0.135 3.454 1.00 0.51 C ATOM 968 OG1 THR A 61 -0.123 -0.578 4.157 1.00 0.68 O ATOM 969 CG2 THR A 61 0.614 0.119 1.964 1.00 0.77 C ATOM 0 H THR A 61 1.171 -1.591 5.160 1.00 0.45 H new ATOM 0 HA THR A 61 2.693 -0.932 2.848 1.00 0.45 H new ATOM 0 HB THR A 61 0.934 1.174 3.784 1.00 0.51 H new ATOM 0 HG1 THR A 61 -0.993 -0.168 3.967 1.00 0.68 H new ATOM 0 HG21 THR A 61 -0.356 0.581 1.779 1.00 0.77 H new ATOM 0 HG22 THR A 61 1.388 0.675 1.435 1.00 0.77 H new ATOM 0 HG23 THR A 61 0.599 -0.911 1.607 1.00 0.77 H new ATOM 977 N ASP A 62 3.213 0.749 5.599 1.00 0.42 N ATOM 978 CA ASP A 62 4.083 1.724 6.242 1.00 0.42 C ATOM 979 C ASP A 62 5.518 1.233 6.259 1.00 0.36 C ATOM 980 O ASP A 62 6.446 2.022 6.097 1.00 0.35 O ATOM 981 CB ASP A 62 3.612 2.013 7.664 1.00 0.47 C ATOM 982 CG ASP A 62 4.068 3.372 8.151 1.00 0.61 C ATOM 983 OD1 ASP A 62 3.712 4.384 7.513 1.00 0.92 O ATOM 984 OD2 ASP A 62 4.796 3.435 9.167 1.00 1.06 O ATOM 0 H ASP A 62 2.604 0.241 6.240 1.00 0.42 H new ATOM 0 HA ASP A 62 4.037 2.648 5.665 1.00 0.42 H new ATOM 0 HB2 ASP A 62 2.524 1.961 7.702 1.00 0.47 H new ATOM 0 HB3 ASP A 62 3.992 1.242 8.335 1.00 0.47 H new ATOM 989 N VAL A 63 5.695 -0.082 6.368 1.00 0.34 N ATOM 990 CA VAL A 63 7.030 -0.667 6.313 1.00 0.32 C ATOM 991 C VAL A 63 7.691 -0.329 4.988 1.00 0.31 C ATOM 992 O VAL A 63 8.841 0.105 4.958 1.00 0.35 O ATOM 993 CB VAL A 63 7.022 -2.201 6.477 1.00 0.36 C ATOM 994 CG1 VAL A 63 8.395 -2.700 6.906 1.00 0.68 C ATOM 995 CG2 VAL A 63 5.967 -2.638 7.473 1.00 0.66 C ATOM 0 H VAL A 63 4.939 -0.755 6.494 1.00 0.34 H new ATOM 0 HA VAL A 63 7.586 -0.242 7.148 1.00 0.32 H new ATOM 0 HB VAL A 63 6.777 -2.640 5.510 1.00 0.36 H new ATOM 0 HG11 VAL A 63 8.370 -3.784 7.017 1.00 0.68 H new ATOM 0 HG12 VAL A 63 9.133 -2.429 6.151 1.00 0.68 H new ATOM 0 HG13 VAL A 63 8.667 -2.244 7.858 1.00 0.68 H new ATOM 0 HG21 VAL A 63 5.984 -3.724 7.568 1.00 0.66 H new ATOM 0 HG22 VAL A 63 6.173 -2.185 8.443 1.00 0.66 H new ATOM 0 HG23 VAL A 63 4.984 -2.320 7.125 1.00 0.66 H new ATOM 1005 N VAL A 64 6.918 -0.432 3.906 1.00 0.29 N ATOM 1006 CA VAL A 64 7.410 -0.066 2.586 1.00 0.29 C ATOM 1007 C VAL A 64 7.858 1.389 2.574 1.00 0.31 C ATOM 1008 O VAL A 64 8.966 1.702 2.150 1.00 0.34 O ATOM 1009 CB VAL A 64 6.357 -0.261 1.477 1.00 0.31 C ATOM 1010 CG1 VAL A 64 7.036 -0.445 0.127 1.00 0.33 C ATOM 1011 CG2 VAL A 64 5.445 -1.439 1.777 1.00 0.38 C ATOM 0 H VAL A 64 5.954 -0.765 3.922 1.00 0.29 H new ATOM 0 HA VAL A 64 8.248 -0.732 2.379 1.00 0.29 H new ATOM 0 HB VAL A 64 5.740 0.637 1.442 1.00 0.31 H new ATOM 0 HG11 VAL A 64 6.279 -0.581 -0.645 1.00 0.33 H new ATOM 0 HG12 VAL A 64 7.634 0.437 -0.103 1.00 0.33 H new ATOM 0 HG13 VAL A 64 7.682 -1.322 0.161 1.00 0.33 H new ATOM 0 HG21 VAL A 64 4.715 -1.547 0.975 1.00 0.38 H new ATOM 0 HG22 VAL A 64 6.040 -2.349 1.852 1.00 0.38 H new ATOM 0 HG23 VAL A 64 4.925 -1.266 2.719 1.00 0.38 H new ATOM 1021 N ASN A 65 7.007 2.263 3.098 1.00 0.32 N ATOM 1022 CA ASN A 65 7.323 3.686 3.176 1.00 0.35 C ATOM 1023 C ASN A 65 8.627 3.929 3.939 1.00 0.38 C ATOM 1024 O ASN A 65 9.427 4.787 3.560 1.00 0.40 O ATOM 1025 CB ASN A 65 6.176 4.444 3.847 1.00 0.40 C ATOM 1026 CG ASN A 65 5.742 5.660 3.050 1.00 0.48 C ATOM 1027 OD1 ASN A 65 6.505 6.609 2.874 1.00 0.91 O ATOM 1028 ND2 ASN A 65 4.515 5.633 2.547 1.00 0.48 N ATOM 0 H ASN A 65 6.093 2.013 3.475 1.00 0.32 H new ATOM 0 HA ASN A 65 7.454 4.055 2.159 1.00 0.35 H new ATOM 0 HB2 ASN A 65 5.326 3.774 3.974 1.00 0.40 H new ATOM 0 HB3 ASN A 65 6.486 4.758 4.844 1.00 0.40 H new ATOM 0 HD21 ASN A 65 4.174 6.418 1.992 1.00 0.48 H new ATOM 0 HD22 ASN A 65 3.912 4.827 2.715 1.00 0.48 H new ATOM 1035 N GLN A 66 8.837 3.166 5.009 1.00 0.39 N ATOM 1036 CA GLN A 66 10.027 3.306 5.845 1.00 0.42 C ATOM 1037 C GLN A 66 11.309 3.029 5.063 1.00 0.40 C ATOM 1038 O GLN A 66 12.286 3.777 5.172 1.00 0.44 O ATOM 1039 CB GLN A 66 9.947 2.367 7.050 1.00 0.44 C ATOM 1040 CG GLN A 66 9.682 3.084 8.362 1.00 0.87 C ATOM 1041 CD GLN A 66 8.261 2.888 8.851 1.00 1.45 C ATOM 1042 OE1 GLN A 66 7.917 1.834 9.386 1.00 2.20 O ATOM 1043 NE2 GLN A 66 7.430 3.906 8.677 1.00 1.61 N ATOM 0 H GLN A 66 8.193 2.439 5.319 1.00 0.39 H new ATOM 0 HA GLN A 66 10.059 4.340 6.189 1.00 0.42 H new ATOM 0 HB2 GLN A 66 9.157 1.636 6.879 1.00 0.44 H new ATOM 0 HB3 GLN A 66 10.882 1.813 7.131 1.00 0.44 H new ATOM 0 HG2 GLN A 66 10.377 2.720 9.119 1.00 0.87 H new ATOM 0 HG3 GLN A 66 9.876 4.149 8.237 1.00 0.87 H new ATOM 0 HE21 GLN A 66 7.758 4.761 8.228 1.00 1.61 H new ATOM 0 HE22 GLN A 66 6.462 3.834 8.992 1.00 1.61 H new ATOM 1052 N LEU A 67 11.322 1.941 4.297 1.00 0.36 N ATOM 1053 CA LEU A 67 12.519 1.572 3.542 1.00 0.35 C ATOM 1054 C LEU A 67 12.801 2.590 2.446 1.00 0.31 C ATOM 1055 O LEU A 67 13.951 2.974 2.233 1.00 0.32 O ATOM 1056 CB LEU A 67 12.414 0.168 2.932 1.00 0.38 C ATOM 1057 CG LEU A 67 11.158 -0.625 3.286 1.00 0.63 C ATOM 1058 CD1 LEU A 67 10.466 -1.102 2.026 1.00 1.04 C ATOM 1059 CD2 LEU A 67 11.500 -1.805 4.175 1.00 1.01 C ATOM 0 H LEU A 67 10.531 1.307 4.182 1.00 0.36 H new ATOM 0 HA LEU A 67 13.347 1.565 4.251 1.00 0.35 H new ATOM 0 HB2 LEU A 67 12.467 0.260 1.847 1.00 0.38 H new ATOM 0 HB3 LEU A 67 13.284 -0.409 3.246 1.00 0.38 H new ATOM 0 HG LEU A 67 10.481 0.032 3.833 1.00 0.63 H new ATOM 0 HD11 LEU A 67 9.572 -1.666 2.293 1.00 1.04 H new ATOM 0 HD12 LEU A 67 10.185 -0.242 1.418 1.00 1.04 H new ATOM 0 HD13 LEU A 67 11.143 -1.742 1.459 1.00 1.04 H new ATOM 0 HD21 LEU A 67 10.590 -2.356 4.415 1.00 1.01 H new ATOM 0 HD22 LEU A 67 12.196 -2.463 3.655 1.00 1.01 H new ATOM 0 HD23 LEU A 67 11.960 -1.446 5.096 1.00 1.01 H new ATOM 1071 N VAL A 68 11.743 3.079 1.802 1.00 0.29 N ATOM 1072 CA VAL A 68 11.889 4.112 0.774 1.00 0.28 C ATOM 1073 C VAL A 68 12.457 5.381 1.383 1.00 0.30 C ATOM 1074 O VAL A 68 13.342 6.021 0.813 1.00 0.32 O ATOM 1075 CB VAL A 68 10.550 4.452 0.085 1.00 0.28 C ATOM 1076 CG1 VAL A 68 10.787 5.290 -1.162 1.00 0.81 C ATOM 1077 CG2 VAL A 68 9.794 3.190 -0.268 1.00 0.69 C ATOM 0 H VAL A 68 10.782 2.781 1.970 1.00 0.29 H new ATOM 0 HA VAL A 68 12.568 3.710 0.022 1.00 0.28 H new ATOM 0 HB VAL A 68 9.947 5.032 0.784 1.00 0.28 H new ATOM 0 HG11 VAL A 68 9.831 5.519 -1.633 1.00 0.81 H new ATOM 0 HG12 VAL A 68 11.288 6.218 -0.887 1.00 0.81 H new ATOM 0 HG13 VAL A 68 11.412 4.734 -1.861 1.00 0.81 H new ATOM 0 HG21 VAL A 68 8.854 3.453 -0.752 1.00 0.69 H new ATOM 0 HG22 VAL A 68 10.395 2.584 -0.946 1.00 0.69 H new ATOM 0 HG23 VAL A 68 9.588 2.623 0.640 1.00 0.69 H new ATOM 1087 N ASP A 69 11.974 5.708 2.574 1.00 0.33 N ATOM 1088 CA ASP A 69 12.451 6.871 3.306 1.00 0.39 C ATOM 1089 C ASP A 69 13.944 6.763 3.562 1.00 0.36 C ATOM 1090 O ASP A 69 14.692 7.711 3.335 1.00 0.37 O ATOM 1091 CB ASP A 69 11.714 7.005 4.639 1.00 0.50 C ATOM 1092 CG ASP A 69 11.804 8.403 5.212 1.00 0.74 C ATOM 1093 OD1 ASP A 69 12.043 9.354 4.436 1.00 1.11 O ATOM 1094 OD2 ASP A 69 11.635 8.564 6.440 1.00 1.33 O ATOM 0 H ASP A 69 11.247 5.179 3.056 1.00 0.33 H new ATOM 0 HA ASP A 69 12.255 7.755 2.699 1.00 0.39 H new ATOM 0 HB2 ASP A 69 10.666 6.740 4.500 1.00 0.50 H new ATOM 0 HB3 ASP A 69 12.130 6.295 5.354 1.00 0.50 H new ATOM 1099 N ASN A 70 14.374 5.586 3.996 1.00 0.35 N ATOM 1100 CA ASN A 70 15.779 5.346 4.309 1.00 0.37 C ATOM 1101 C ASN A 70 16.640 5.345 3.049 1.00 0.33 C ATOM 1102 O ASN A 70 17.749 5.883 3.048 1.00 0.40 O ATOM 1103 CB ASN A 70 15.935 4.021 5.063 1.00 0.44 C ATOM 1104 CG ASN A 70 15.714 4.181 6.555 1.00 0.89 C ATOM 1105 OD1 ASN A 70 16.665 4.236 7.335 1.00 0.95 O ATOM 1106 ND2 ASN A 70 14.455 4.262 6.960 1.00 1.69 N ATOM 0 H ASN A 70 13.768 4.778 4.140 1.00 0.35 H new ATOM 0 HA ASN A 70 16.124 6.160 4.946 1.00 0.37 H new ATOM 0 HB2 ASN A 70 15.225 3.295 4.668 1.00 0.44 H new ATOM 0 HB3 ASN A 70 16.933 3.620 4.886 1.00 0.44 H new ATOM 0 HD21 ASN A 70 14.245 4.374 7.952 1.00 1.69 H new ATOM 0 HD22 ASN A 70 13.696 4.212 6.280 1.00 1.69 H new ATOM 1113 N TRP A 71 16.123 4.761 1.973 1.00 0.30 N ATOM 1114 CA TRP A 71 16.849 4.701 0.707 1.00 0.36 C ATOM 1115 C TRP A 71 17.060 6.102 0.137 1.00 0.35 C ATOM 1116 O TRP A 71 18.119 6.410 -0.413 1.00 0.40 O ATOM 1117 CB TRP A 71 16.087 3.832 -0.302 1.00 0.42 C ATOM 1118 CG TRP A 71 16.899 3.444 -1.507 1.00 0.52 C ATOM 1119 CD1 TRP A 71 17.786 2.408 -1.603 1.00 0.63 C ATOM 1120 CD2 TRP A 71 16.877 4.075 -2.794 1.00 0.58 C ATOM 1121 NE1 TRP A 71 18.350 2.389 -2.858 1.00 0.72 N ATOM 1122 CE2 TRP A 71 17.804 3.395 -3.609 1.00 0.68 C ATOM 1123 CE3 TRP A 71 16.172 5.151 -3.335 1.00 0.62 C ATOM 1124 CZ2 TRP A 71 18.049 3.763 -4.932 1.00 0.77 C ATOM 1125 CZ3 TRP A 71 16.411 5.511 -4.651 1.00 0.73 C ATOM 1126 CH2 TRP A 71 17.342 4.817 -5.439 1.00 0.77 C ATOM 0 H TRP A 71 15.203 4.322 1.951 1.00 0.30 H new ATOM 0 HA TRP A 71 17.825 4.254 0.894 1.00 0.36 H new ATOM 0 HB2 TRP A 71 15.743 2.927 0.199 1.00 0.42 H new ATOM 0 HB3 TRP A 71 15.199 4.370 -0.633 1.00 0.42 H new ATOM 0 HD1 TRP A 71 18.011 1.708 -0.811 1.00 0.63 H new ATOM 0 HE1 TRP A 71 19.061 1.731 -3.177 1.00 0.72 H new ATOM 0 HE3 TRP A 71 15.453 5.693 -2.738 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 18.772 3.234 -5.535 1.00 0.77 H new ATOM 0 HZ3 TRP A 71 15.870 6.342 -5.079 1.00 0.73 H new ATOM 0 HH2 TRP A 71 17.502 5.121 -6.463 1.00 0.77 H new ATOM 1137 N LEU A 72 16.033 6.936 0.240 1.00 0.36 N ATOM 1138 CA LEU A 72 16.088 8.284 -0.310 1.00 0.42 C ATOM 1139 C LEU A 72 16.856 9.230 0.608 1.00 0.49 C ATOM 1140 O LEU A 72 17.546 10.131 0.135 1.00 0.61 O ATOM 1141 CB LEU A 72 14.676 8.823 -0.557 1.00 0.45 C ATOM 1142 CG LEU A 72 14.193 8.775 -2.013 1.00 0.42 C ATOM 1143 CD1 LEU A 72 15.358 8.588 -2.973 1.00 1.23 C ATOM 1144 CD2 LEU A 72 13.173 7.665 -2.194 1.00 1.38 C ATOM 0 H LEU A 72 15.153 6.703 0.699 1.00 0.36 H new ATOM 0 HA LEU A 72 16.618 8.230 -1.261 1.00 0.42 H new ATOM 0 HB2 LEU A 72 13.977 8.256 0.058 1.00 0.45 H new ATOM 0 HB3 LEU A 72 14.636 9.857 -0.214 1.00 0.45 H new ATOM 0 HG LEU A 72 13.719 9.729 -2.243 1.00 0.42 H new ATOM 0 HD11 LEU A 72 14.985 8.558 -3.997 1.00 1.23 H new ATOM 0 HD12 LEU A 72 16.055 9.419 -2.865 1.00 1.23 H new ATOM 0 HD13 LEU A 72 15.870 7.653 -2.746 1.00 1.23 H new ATOM 0 HD21 LEU A 72 12.839 7.643 -3.231 1.00 1.38 H new ATOM 0 HD22 LEU A 72 13.628 6.708 -1.939 1.00 1.38 H new ATOM 0 HD23 LEU A 72 12.319 7.846 -1.542 1.00 1.38 H new ATOM 1156 N LYS A 73 16.766 9.006 1.913 1.00 0.51 N ATOM 1157 CA LYS A 73 17.480 9.843 2.876 1.00 0.64 C ATOM 1158 C LYS A 73 18.980 9.598 2.784 1.00 0.63 C ATOM 1159 O LYS A 73 19.785 10.510 2.981 1.00 0.74 O ATOM 1160 CB LYS A 73 16.981 9.577 4.297 1.00 0.82 C ATOM 1161 CG LYS A 73 15.744 10.385 4.662 1.00 0.97 C ATOM 1162 CD LYS A 73 15.155 9.941 5.991 1.00 1.32 C ATOM 1163 CE LYS A 73 14.390 11.071 6.662 1.00 1.19 C ATOM 1164 NZ LYS A 73 13.138 10.598 7.307 1.00 1.42 N ATOM 0 H LYS A 73 16.211 8.258 2.329 1.00 0.51 H new ATOM 0 HA LYS A 73 17.284 10.888 2.634 1.00 0.64 H new ATOM 0 HB2 LYS A 73 16.757 8.515 4.403 1.00 0.82 H new ATOM 0 HB3 LYS A 73 17.778 9.807 5.004 1.00 0.82 H new ATOM 0 HG2 LYS A 73 16.002 11.443 4.714 1.00 0.97 H new ATOM 0 HG3 LYS A 73 14.995 10.278 3.878 1.00 0.97 H new ATOM 0 HD2 LYS A 73 14.489 9.093 5.831 1.00 1.32 H new ATOM 0 HD3 LYS A 73 15.954 9.599 6.649 1.00 1.32 H new ATOM 0 HE2 LYS A 73 15.026 11.543 7.411 1.00 1.19 H new ATOM 0 HE3 LYS A 73 14.149 11.834 5.922 1.00 1.19 H new ATOM 0 HZ1 LYS A 73 12.342 11.190 6.995 1.00 1.42 H new ATOM 0 HZ2 LYS A 73 12.961 9.609 7.038 1.00 1.42 H new ATOM 0 HZ3 LYS A 73 13.234 10.664 8.341 1.00 1.42 H new ATOM 1178 N GLU A 74 19.345 8.389 2.384 1.00 0.60 N ATOM 1179 CA GLU A 74 20.742 8.043 2.166 1.00 0.77 C ATOM 1180 C GLU A 74 21.189 8.501 0.780 1.00 0.85 C ATOM 1181 O GLU A 74 22.352 8.366 0.408 1.00 1.00 O ATOM 1182 CB GLU A 74 20.945 6.535 2.313 1.00 0.93 C ATOM 1183 CG GLU A 74 21.162 6.095 3.749 1.00 1.00 C ATOM 1184 CD GLU A 74 22.282 6.862 4.423 1.00 1.39 C ATOM 1185 OE1 GLU A 74 23.461 6.593 4.111 1.00 2.41 O ATOM 1186 OE2 GLU A 74 21.988 7.731 5.270 1.00 1.30 O ATOM 0 H GLU A 74 18.690 7.628 2.203 1.00 0.60 H new ATOM 0 HA GLU A 74 21.347 8.552 2.916 1.00 0.77 H new ATOM 0 HB2 GLU A 74 20.075 6.017 1.909 1.00 0.93 H new ATOM 0 HB3 GLU A 74 21.803 6.231 1.714 1.00 0.93 H new ATOM 0 HG2 GLU A 74 20.239 6.234 4.312 1.00 1.00 H new ATOM 0 HG3 GLU A 74 21.391 5.029 3.769 1.00 1.00 H new ATOM 1193 N ASN A 75 20.243 9.030 0.020 1.00 0.95 N ATOM 1194 CA ASN A 75 20.506 9.497 -1.332 1.00 1.20 C ATOM 1195 C ASN A 75 20.722 11.003 -1.342 1.00 1.20 C ATOM 1196 O ASN A 75 21.773 11.492 -1.758 1.00 1.32 O ATOM 1197 CB ASN A 75 19.327 9.152 -2.241 1.00 1.49 C ATOM 1198 CG ASN A 75 19.721 8.282 -3.411 1.00 1.22 C ATOM 1199 OD1 ASN A 75 20.562 8.655 -4.227 1.00 1.55 O ATOM 1200 ND2 ASN A 75 19.110 7.113 -3.501 1.00 0.88 N ATOM 0 H ASN A 75 19.276 9.147 0.321 1.00 0.95 H new ATOM 0 HA ASN A 75 21.407 9.004 -1.697 1.00 1.20 H new ATOM 0 HB2 ASN A 75 18.562 8.641 -1.657 1.00 1.49 H new ATOM 0 HB3 ASN A 75 18.881 10.074 -2.614 1.00 1.49 H new ATOM 0 HD21 ASN A 75 19.330 6.480 -4.270 1.00 0.88 H new ATOM 0 HD22 ASN A 75 18.418 6.844 -2.801 1.00 0.88 H new ATOM 1207 N GLU A 76 19.704 11.732 -0.903 1.00 1.19 N ATOM 1208 CA GLU A 76 19.744 13.187 -0.896 1.00 1.36 C ATOM 1209 C GLU A 76 19.565 13.718 0.515 1.00 1.69 C ATOM 1210 O GLU A 76 18.590 13.313 1.183 1.00 2.16 O ATOM 1211 CB GLU A 76 18.645 13.750 -1.798 1.00 1.69 C ATOM 1212 CG GLU A 76 18.535 13.045 -3.139 1.00 1.63 C ATOM 1213 CD GLU A 76 18.975 13.916 -4.293 1.00 2.07 C ATOM 1214 OE1 GLU A 76 18.127 14.645 -4.847 1.00 2.17 O ATOM 1215 OE2 GLU A 76 20.175 13.901 -4.636 1.00 2.92 O ATOM 1216 OXT GLU A 76 20.390 14.544 0.949 1.00 2.16 O ATOM 0 H GLU A 76 18.835 11.335 -0.545 1.00 1.19 H new ATOM 0 HA GLU A 76 20.716 13.504 -1.273 1.00 1.36 H new ATOM 0 HB2 GLU A 76 17.689 13.677 -1.280 1.00 1.69 H new ATOM 0 HB3 GLU A 76 18.835 14.810 -1.969 1.00 1.69 H new ATOM 0 HG2 GLU A 76 19.142 12.140 -3.120 1.00 1.63 H new ATOM 0 HG3 GLU A 76 17.503 12.733 -3.297 1.00 1.63 H new TER 1223 GLU A 76 ATOM 1224 N MET B 1 30.017 -61.650 -74.894 1.00 49.72 N ATOM 1225 CA MET B 1 29.597 -63.057 -74.691 1.00 50.01 C ATOM 1226 C MET B 1 28.193 -63.279 -75.236 1.00 50.09 C ATOM 1227 O MET B 1 27.369 -62.366 -75.237 1.00 50.14 O ATOM 1228 CB MET B 1 29.635 -63.366 -73.194 1.00 49.83 C ATOM 1229 CG MET B 1 30.570 -64.505 -72.824 1.00 50.16 C ATOM 1230 SD MET B 1 30.907 -64.580 -71.054 1.00 50.63 S ATOM 1231 CE MET B 1 29.596 -65.669 -70.504 1.00 50.90 C ATOM 0 H1 MET B 1 30.880 -61.462 -74.344 1.00 49.72 H new ATOM 0 H2 MET B 1 30.207 -61.487 -75.903 1.00 49.72 H new ATOM 0 H3 MET B 1 29.259 -61.012 -74.577 1.00 49.72 H new ATOM 0 HA MET B 1 30.276 -63.721 -75.226 1.00 50.01 H new ATOM 0 HB2 MET B 1 29.940 -62.469 -72.655 1.00 49.83 H new ATOM 0 HB3 MET B 1 28.628 -63.612 -72.858 1.00 49.83 H new ATOM 0 HG2 MET B 1 30.132 -65.449 -73.147 1.00 50.16 H new ATOM 0 HG3 MET B 1 31.510 -64.389 -73.364 1.00 50.16 H new ATOM 0 HE1 MET B 1 29.162 -65.280 -69.583 1.00 50.90 H new ATOM 0 HE2 MET B 1 28.825 -65.727 -71.272 1.00 50.90 H new ATOM 0 HE3 MET B 1 30.002 -66.664 -70.322 1.00 50.90 H new ATOM 1243 N SER B 2 27.931 -64.482 -75.722 1.00 50.14 N ATOM 1244 CA SER B 2 26.635 -64.806 -76.294 1.00 50.28 C ATOM 1245 C SER B 2 25.555 -64.819 -75.218 1.00 49.60 C ATOM 1246 O SER B 2 24.454 -64.306 -75.425 1.00 49.19 O ATOM 1247 CB SER B 2 26.702 -66.158 -77.000 1.00 50.63 C ATOM 1248 OG SER B 2 28.049 -66.531 -77.241 1.00 50.88 O ATOM 0 H SER B 2 28.601 -65.251 -75.731 1.00 50.14 H new ATOM 0 HA SER B 2 26.375 -64.038 -77.023 1.00 50.28 H new ATOM 0 HB2 SER B 2 26.213 -66.917 -76.390 1.00 50.63 H new ATOM 0 HB3 SER B 2 26.159 -66.109 -77.944 1.00 50.63 H new ATOM 0 HG SER B 2 28.072 -67.401 -77.692 1.00 50.88 H new ATOM 1254 N LEU B 3 25.887 -65.369 -74.057 1.00 49.51 N ATOM 1255 CA LEU B 3 24.953 -65.420 -72.943 1.00 48.94 C ATOM 1256 C LEU B 3 25.540 -64.740 -71.712 1.00 48.22 C ATOM 1257 O LEU B 3 26.314 -65.341 -70.966 1.00 48.18 O ATOM 1258 CB LEU B 3 24.588 -66.868 -72.613 1.00 48.75 C ATOM 1259 CG LEU B 3 23.479 -67.034 -71.572 1.00 48.99 C ATOM 1260 CD1 LEU B 3 22.201 -67.525 -72.229 1.00 49.26 C ATOM 1261 CD2 LEU B 3 23.919 -67.986 -70.471 1.00 48.96 C ATOM 0 H LEU B 3 26.797 -65.786 -73.864 1.00 49.51 H new ATOM 0 HA LEU B 3 24.049 -64.887 -73.238 1.00 48.94 H new ATOM 0 HB2 LEU B 3 24.281 -67.368 -73.532 1.00 48.75 H new ATOM 0 HB3 LEU B 3 25.481 -67.380 -72.255 1.00 48.75 H new ATOM 0 HG LEU B 3 23.279 -66.061 -71.122 1.00 48.99 H new ATOM 0 HD11 LEU B 3 21.423 -67.637 -71.473 1.00 49.26 H new ATOM 0 HD12 LEU B 3 21.877 -66.803 -72.979 1.00 49.26 H new ATOM 0 HD13 LEU B 3 22.384 -68.487 -72.707 1.00 49.26 H new ATOM 0 HD21 LEU B 3 23.118 -68.092 -69.740 1.00 48.96 H new ATOM 0 HD22 LEU B 3 24.148 -68.961 -70.902 1.00 48.96 H new ATOM 0 HD23 LEU B 3 24.808 -67.589 -69.980 1.00 48.96 H new ATOM 1273 N GLU B 4 25.143 -63.498 -71.489 1.00 47.69 N ATOM 1274 CA GLU B 4 25.584 -62.748 -70.322 1.00 46.99 C ATOM 1275 C GLU B 4 24.408 -62.512 -69.382 1.00 46.41 C ATOM 1276 O GLU B 4 23.921 -61.388 -69.239 1.00 46.09 O ATOM 1277 CB GLU B 4 26.194 -61.404 -70.741 1.00 47.08 C ATOM 1278 CG GLU B 4 26.949 -61.450 -72.059 1.00 47.35 C ATOM 1279 CD GLU B 4 27.682 -60.157 -72.357 1.00 47.87 C ATOM 1280 OE1 GLU B 4 27.437 -59.155 -71.653 1.00 47.70 O ATOM 1281 OE2 GLU B 4 28.505 -60.133 -73.297 1.00 48.48 O ATOM 0 H GLU B 4 24.512 -62.984 -72.104 1.00 47.69 H new ATOM 0 HA GLU B 4 26.348 -63.330 -69.805 1.00 46.99 H new ATOM 0 HB2 GLU B 4 25.398 -60.663 -70.816 1.00 47.08 H new ATOM 0 HB3 GLU B 4 26.872 -61.065 -69.958 1.00 47.08 H new ATOM 0 HG2 GLU B 4 27.665 -62.272 -72.035 1.00 47.35 H new ATOM 0 HG3 GLU B 4 26.249 -61.661 -72.867 1.00 47.35 H new ATOM 1288 N LYS B 5 23.929 -63.580 -68.770 1.00 46.34 N ATOM 1289 CA LYS B 5 22.794 -63.491 -67.868 1.00 45.89 C ATOM 1290 C LYS B 5 23.254 -63.136 -66.458 1.00 45.32 C ATOM 1291 O LYS B 5 22.980 -63.853 -65.494 1.00 45.40 O ATOM 1292 CB LYS B 5 22.013 -64.809 -67.864 1.00 46.20 C ATOM 1293 CG LYS B 5 20.536 -64.640 -68.188 1.00 46.45 C ATOM 1294 CD LYS B 5 20.331 -64.179 -69.625 1.00 47.12 C ATOM 1295 CE LYS B 5 18.907 -63.714 -69.865 1.00 47.36 C ATOM 1296 NZ LYS B 5 18.157 -64.649 -70.745 1.00 47.29 N ATOM 0 H LYS B 5 24.308 -64.520 -68.881 1.00 46.34 H new ATOM 0 HA LYS B 5 22.134 -62.698 -68.220 1.00 45.89 H new ATOM 0 HB2 LYS B 5 22.460 -65.489 -68.589 1.00 46.20 H new ATOM 0 HB3 LYS B 5 22.111 -65.277 -66.885 1.00 46.20 H new ATOM 0 HG2 LYS B 5 20.017 -65.585 -68.030 1.00 46.45 H new ATOM 0 HG3 LYS B 5 20.093 -63.915 -67.505 1.00 46.45 H new ATOM 0 HD2 LYS B 5 21.022 -63.367 -69.849 1.00 47.12 H new ATOM 0 HD3 LYS B 5 20.567 -64.996 -70.307 1.00 47.12 H new ATOM 0 HE2 LYS B 5 18.390 -63.621 -68.910 1.00 47.36 H new ATOM 0 HE3 LYS B 5 18.921 -62.722 -70.317 1.00 47.36 H new ATOM 0 HZ1 LYS B 5 17.189 -64.294 -70.883 1.00 47.29 H new ATOM 0 HZ2 LYS B 5 18.635 -64.718 -71.666 1.00 47.29 H new ATOM 0 HZ3 LYS B 5 18.121 -65.589 -70.302 1.00 47.29 H new ATOM 1310 N ALA B 6 23.909 -61.994 -66.338 1.00 44.78 N ATOM 1311 CA ALA B 6 24.347 -61.505 -65.045 1.00 44.24 C ATOM 1312 C ALA B 6 23.308 -60.552 -64.469 1.00 43.74 C ATOM 1313 O ALA B 6 22.639 -59.831 -65.214 1.00 43.85 O ATOM 1314 CB ALA B 6 25.700 -60.821 -65.166 1.00 44.52 C ATOM 0 H ALA B 6 24.149 -61.388 -67.123 1.00 44.78 H new ATOM 0 HA ALA B 6 24.455 -62.351 -64.366 1.00 44.24 H new ATOM 0 HB1 ALA B 6 26.014 -60.460 -64.187 1.00 44.52 H new ATOM 0 HB2 ALA B 6 26.435 -61.532 -65.543 1.00 44.52 H new ATOM 0 HB3 ALA B 6 25.622 -59.980 -65.855 1.00 44.52 H new ATOM 1320 N HIS B 7 23.175 -60.550 -63.154 1.00 43.26 N ATOM 1321 CA HIS B 7 22.222 -59.673 -62.487 1.00 42.80 C ATOM 1322 C HIS B 7 22.782 -59.203 -61.149 1.00 42.47 C ATOM 1323 O HIS B 7 22.167 -59.370 -60.092 1.00 42.04 O ATOM 1324 CB HIS B 7 20.857 -60.363 -62.314 1.00 42.48 C ATOM 1325 CG HIS B 7 20.874 -61.621 -61.494 1.00 42.63 C ATOM 1326 ND1 HIS B 7 20.090 -61.790 -60.378 1.00 42.29 N ATOM 1327 CD2 HIS B 7 21.564 -62.776 -61.644 1.00 43.14 C ATOM 1328 CE1 HIS B 7 20.295 -62.991 -59.878 1.00 42.58 C ATOM 1329 NE2 HIS B 7 21.185 -63.613 -60.627 1.00 43.10 N ATOM 0 H HIS B 7 23.714 -61.145 -62.525 1.00 43.26 H new ATOM 0 HA HIS B 7 22.063 -58.797 -63.115 1.00 42.80 H new ATOM 0 HB2 HIS B 7 20.167 -59.657 -61.852 1.00 42.48 H new ATOM 0 HB3 HIS B 7 20.459 -60.598 -63.301 1.00 42.48 H new ATOM 0 HD2 HIS B 7 22.281 -62.997 -62.421 1.00 43.14 H new ATOM 0 HE1 HIS B 7 19.815 -63.399 -59.001 1.00 42.58 H new ATOM 0 HE2 HIS B 7 21.533 -64.560 -60.475 1.00 43.10 H new ATOM 1338 N THR B 8 23.955 -58.602 -61.216 1.00 42.72 N ATOM 1339 CA THR B 8 24.620 -58.070 -60.043 1.00 42.49 C ATOM 1340 C THR B 8 24.153 -56.644 -59.769 1.00 42.09 C ATOM 1341 O THR B 8 24.880 -55.678 -60.011 1.00 42.17 O ATOM 1342 CB THR B 8 26.144 -58.090 -60.238 1.00 43.02 C ATOM 1343 OG1 THR B 8 26.483 -59.054 -61.249 1.00 43.54 O ATOM 1344 CG2 THR B 8 26.856 -58.430 -58.936 1.00 43.04 C ATOM 0 H THR B 8 24.473 -58.469 -62.085 1.00 42.72 H new ATOM 0 HA THR B 8 24.364 -58.697 -59.189 1.00 42.49 H new ATOM 0 HB THR B 8 26.469 -57.098 -60.552 1.00 43.02 H new ATOM 0 HG1 THR B 8 27.455 -59.067 -61.376 1.00 43.54 H new ATOM 0 HG21 THR B 8 27.933 -58.438 -59.102 1.00 43.04 H new ATOM 0 HG22 THR B 8 26.610 -57.683 -58.181 1.00 43.04 H new ATOM 0 HG23 THR B 8 26.535 -59.413 -58.592 1.00 43.04 H new ATOM 1352 N SER B 9 22.900 -56.522 -59.361 1.00 41.72 N ATOM 1353 CA SER B 9 22.286 -55.229 -59.124 1.00 41.37 C ATOM 1354 C SER B 9 22.844 -54.587 -57.858 1.00 40.97 C ATOM 1355 O SER B 9 23.086 -55.264 -56.859 1.00 40.81 O ATOM 1356 CB SER B 9 20.772 -55.398 -59.007 1.00 41.56 C ATOM 1357 OG SER B 9 20.397 -56.751 -59.233 1.00 41.99 O ATOM 0 H SER B 9 22.283 -57.315 -59.186 1.00 41.72 H new ATOM 0 HA SER B 9 22.514 -54.573 -59.964 1.00 41.37 H new ATOM 0 HB2 SER B 9 20.442 -55.085 -58.017 1.00 41.56 H new ATOM 0 HB3 SER B 9 20.272 -54.752 -59.729 1.00 41.56 H new ATOM 0 HG SER B 9 19.424 -56.839 -59.152 1.00 41.99 H new ATOM 1363 N VAL B 10 23.004 -53.275 -57.896 1.00 40.88 N ATOM 1364 CA VAL B 10 23.478 -52.529 -56.743 1.00 40.57 C ATOM 1365 C VAL B 10 22.344 -51.693 -56.170 1.00 39.78 C ATOM 1366 O VAL B 10 22.017 -50.626 -56.692 1.00 39.60 O ATOM 1367 CB VAL B 10 24.669 -51.611 -57.091 1.00 41.04 C ATOM 1368 CG1 VAL B 10 25.437 -51.239 -55.831 1.00 41.05 C ATOM 1369 CG2 VAL B 10 25.592 -52.275 -58.106 1.00 41.81 C ATOM 0 H VAL B 10 22.811 -52.702 -58.718 1.00 40.88 H new ATOM 0 HA VAL B 10 23.823 -53.254 -56.005 1.00 40.57 H new ATOM 0 HB VAL B 10 24.276 -50.699 -57.541 1.00 41.04 H new ATOM 0 HG11 VAL B 10 26.274 -50.591 -56.093 1.00 41.05 H new ATOM 0 HG12 VAL B 10 24.774 -50.715 -55.142 1.00 41.05 H new ATOM 0 HG13 VAL B 10 25.814 -52.144 -55.354 1.00 41.05 H new ATOM 0 HG21 VAL B 10 26.423 -51.607 -58.334 1.00 41.81 H new ATOM 0 HG22 VAL B 10 25.978 -53.206 -57.692 1.00 41.81 H new ATOM 0 HG23 VAL B 10 25.036 -52.487 -59.019 1.00 41.81 H new ATOM 1379 N LYS B 11 21.686 -52.227 -55.158 1.00 39.37 N ATOM 1380 CA LYS B 11 20.547 -51.562 -54.555 1.00 38.66 C ATOM 1381 C LYS B 11 20.969 -50.785 -53.318 1.00 37.92 C ATOM 1382 O LYS B 11 21.354 -51.372 -52.306 1.00 37.86 O ATOM 1383 CB LYS B 11 19.467 -52.580 -54.189 1.00 38.51 C ATOM 1384 CG LYS B 11 18.574 -52.966 -55.356 1.00 38.70 C ATOM 1385 CD LYS B 11 18.793 -54.412 -55.770 1.00 39.11 C ATOM 1386 CE LYS B 11 17.725 -54.878 -56.748 1.00 39.26 C ATOM 1387 NZ LYS B 11 17.195 -56.222 -56.402 1.00 39.34 N ATOM 0 H LYS B 11 21.923 -53.124 -54.735 1.00 39.37 H new ATOM 0 HA LYS B 11 20.140 -50.861 -55.283 1.00 38.66 H new ATOM 0 HB2 LYS B 11 19.944 -53.477 -53.795 1.00 38.51 H new ATOM 0 HB3 LYS B 11 18.849 -52.170 -53.390 1.00 38.51 H new ATOM 0 HG2 LYS B 11 17.530 -52.819 -55.080 1.00 38.70 H new ATOM 0 HG3 LYS B 11 18.775 -52.309 -56.202 1.00 38.70 H new ATOM 0 HD2 LYS B 11 19.777 -54.516 -56.227 1.00 39.11 H new ATOM 0 HD3 LYS B 11 18.783 -55.050 -54.887 1.00 39.11 H new ATOM 0 HE2 LYS B 11 16.906 -54.158 -56.759 1.00 39.26 H new ATOM 0 HE3 LYS B 11 18.142 -54.902 -57.755 1.00 39.26 H new ATOM 0 HZ1 LYS B 11 16.471 -56.498 -57.095 1.00 39.34 H new ATOM 0 HZ2 LYS B 11 17.970 -56.915 -56.416 1.00 39.34 H new ATOM 0 HZ3 LYS B 11 16.773 -56.195 -55.452 1.00 39.34 H new ATOM 1401 N LYS B 12 20.860 -49.465 -53.392 1.00 37.43 N ATOM 1402 CA LYS B 12 21.184 -48.603 -52.266 1.00 36.75 C ATOM 1403 C LYS B 12 20.010 -48.557 -51.292 1.00 36.06 C ATOM 1404 O LYS B 12 19.329 -47.539 -51.161 1.00 35.87 O ATOM 1405 CB LYS B 12 21.528 -47.193 -52.755 1.00 36.61 C ATOM 1406 CG LYS B 12 22.515 -46.460 -51.860 1.00 36.83 C ATOM 1407 CD LYS B 12 23.238 -45.358 -52.616 1.00 36.79 C ATOM 1408 CE LYS B 12 23.350 -44.090 -51.785 1.00 36.93 C ATOM 1409 NZ LYS B 12 24.321 -44.240 -50.669 1.00 36.94 N ATOM 0 H LYS B 12 20.548 -48.967 -54.226 1.00 37.43 H new ATOM 0 HA LYS B 12 22.054 -49.009 -51.750 1.00 36.75 H new ATOM 0 HB2 LYS B 12 21.942 -47.258 -53.761 1.00 36.61 H new ATOM 0 HB3 LYS B 12 20.611 -46.608 -52.825 1.00 36.61 H new ATOM 0 HG2 LYS B 12 21.987 -46.032 -51.008 1.00 36.83 H new ATOM 0 HG3 LYS B 12 23.242 -47.168 -51.462 1.00 36.83 H new ATOM 0 HD2 LYS B 12 24.235 -45.700 -52.894 1.00 36.79 H new ATOM 0 HD3 LYS B 12 22.705 -45.141 -53.542 1.00 36.79 H new ATOM 0 HE2 LYS B 12 23.658 -43.263 -52.425 1.00 36.93 H new ATOM 0 HE3 LYS B 12 22.371 -43.833 -51.381 1.00 36.93 H new ATOM 0 HZ1 LYS B 12 24.367 -43.353 -50.128 1.00 36.94 H new ATOM 0 HZ2 LYS B 12 24.014 -45.012 -50.043 1.00 36.94 H new ATOM 0 HZ3 LYS B 12 25.262 -44.460 -51.054 1.00 36.94 H new ATOM 1423 N MET B 13 19.711 -49.703 -50.702 1.00 35.73 N ATOM 1424 CA MET B 13 18.554 -49.839 -49.827 1.00 35.11 C ATOM 1425 C MET B 13 18.923 -49.532 -48.382 1.00 34.05 C ATOM 1426 O MET B 13 18.055 -49.422 -47.517 1.00 33.69 O ATOM 1427 CB MET B 13 17.978 -51.251 -49.927 1.00 35.48 C ATOM 1428 CG MET B 13 16.740 -51.350 -50.802 1.00 35.31 C ATOM 1429 SD MET B 13 16.560 -52.978 -51.559 1.00 35.65 S ATOM 1430 CE MET B 13 14.903 -53.407 -51.034 1.00 35.62 C ATOM 0 H MET B 13 20.256 -50.558 -50.813 1.00 35.73 H new ATOM 0 HA MET B 13 17.801 -49.121 -50.150 1.00 35.11 H new ATOM 0 HB2 MET B 13 18.744 -51.918 -50.322 1.00 35.48 H new ATOM 0 HB3 MET B 13 17.732 -51.604 -48.926 1.00 35.48 H new ATOM 0 HG2 MET B 13 15.856 -51.132 -50.202 1.00 35.31 H new ATOM 0 HG3 MET B 13 16.790 -50.592 -51.584 1.00 35.31 H new ATOM 0 HE1 MET B 13 14.641 -54.391 -51.423 1.00 35.62 H new ATOM 0 HE2 MET B 13 14.859 -53.424 -49.945 1.00 35.62 H new ATOM 0 HE3 MET B 13 14.198 -52.668 -51.414 1.00 35.62 H new ATOM 1440 N THR B 14 20.209 -49.382 -48.126 1.00 33.61 N ATOM 1441 CA THR B 14 20.682 -49.074 -46.791 1.00 32.62 C ATOM 1442 C THR B 14 21.036 -47.594 -46.672 1.00 31.94 C ATOM 1443 O THR B 14 21.920 -47.095 -47.371 1.00 32.15 O ATOM 1444 CB THR B 14 21.902 -49.929 -46.424 1.00 32.54 C ATOM 1445 OG1 THR B 14 22.233 -50.812 -47.511 1.00 33.35 O ATOM 1446 CG2 THR B 14 21.634 -50.743 -45.168 1.00 32.48 C ATOM 0 H THR B 14 20.945 -49.469 -48.827 1.00 33.61 H new ATOM 0 HA THR B 14 19.875 -49.304 -46.095 1.00 32.62 H new ATOM 0 HB THR B 14 22.741 -49.260 -46.233 1.00 32.54 H new ATOM 0 HG1 THR B 14 23.014 -51.352 -47.268 1.00 33.35 H new ATOM 0 HG21 THR B 14 22.513 -51.341 -44.928 1.00 32.48 H new ATOM 0 HG22 THR B 14 21.415 -50.071 -44.339 1.00 32.48 H new ATOM 0 HG23 THR B 14 20.782 -51.402 -45.336 1.00 32.48 H new ATOM 1454 N PHE B 15 20.283 -46.886 -45.843 1.00 31.19 N ATOM 1455 CA PHE B 15 20.473 -45.449 -45.667 1.00 30.54 C ATOM 1456 C PHE B 15 20.042 -45.012 -44.267 1.00 29.77 C ATOM 1457 O PHE B 15 20.525 -44.006 -43.742 1.00 29.39 O ATOM 1458 CB PHE B 15 19.690 -44.669 -46.736 1.00 30.31 C ATOM 1459 CG PHE B 15 18.197 -44.818 -46.638 1.00 30.09 C ATOM 1460 CD1 PHE B 15 17.571 -45.955 -47.121 1.00 30.43 C ATOM 1461 CD2 PHE B 15 17.421 -43.822 -46.068 1.00 29.61 C ATOM 1462 CE1 PHE B 15 16.201 -46.092 -47.043 1.00 30.32 C ATOM 1463 CE2 PHE B 15 16.050 -43.952 -45.991 1.00 29.47 C ATOM 1464 CZ PHE B 15 15.443 -45.090 -46.438 1.00 29.84 C ATOM 0 H PHE B 15 19.532 -47.283 -45.279 1.00 31.19 H new ATOM 0 HA PHE B 15 21.534 -45.229 -45.782 1.00 30.54 H new ATOM 0 HB2 PHE B 15 19.944 -43.612 -46.657 1.00 30.31 H new ATOM 0 HB3 PHE B 15 20.013 -45.002 -47.722 1.00 30.31 H new ATOM 0 HD1 PHE B 15 18.162 -46.743 -47.564 1.00 30.43 H new ATOM 0 HD2 PHE B 15 17.895 -42.933 -45.679 1.00 29.61 H new ATOM 0 HE1 PHE B 15 15.718 -46.969 -47.448 1.00 30.32 H new ATOM 0 HE2 PHE B 15 15.455 -43.152 -45.576 1.00 29.47 H new ATOM 0 HZ PHE B 15 14.376 -45.214 -46.323 1.00 29.84 H new ATOM 1474 N GLY B 16 19.132 -45.773 -43.669 1.00 29.61 N ATOM 1475 CA GLY B 16 18.669 -45.471 -42.330 1.00 28.95 C ATOM 1476 C GLY B 16 17.515 -44.493 -42.312 1.00 28.38 C ATOM 1477 O GLY B 16 17.652 -43.345 -42.734 1.00 27.86 O ATOM 0 H GLY B 16 18.706 -46.598 -44.092 1.00 29.61 H new ATOM 0 HA2 GLY B 16 18.363 -46.395 -41.840 1.00 28.95 H new ATOM 0 HA3 GLY B 16 19.495 -45.061 -41.749 1.00 28.95 H new ATOM 1481 N GLU B 17 16.375 -44.946 -41.814 1.00 28.54 N ATOM 1482 CA GLU B 17 15.191 -44.104 -41.711 1.00 28.12 C ATOM 1483 C GLU B 17 14.912 -43.738 -40.257 1.00 27.58 C ATOM 1484 O GLU B 17 14.159 -42.806 -39.973 1.00 27.25 O ATOM 1485 CB GLU B 17 13.982 -44.821 -42.306 1.00 28.76 C ATOM 1486 CG GLU B 17 13.511 -44.223 -43.617 1.00 28.83 C ATOM 1487 CD GLU B 17 12.096 -43.699 -43.540 1.00 28.83 C ATOM 1488 OE1 GLU B 17 11.151 -44.506 -43.679 1.00 29.03 O ATOM 1489 OE2 GLU B 17 11.917 -42.479 -43.349 1.00 28.71 O ATOM 0 H GLU B 17 16.243 -45.898 -41.473 1.00 28.54 H new ATOM 0 HA GLU B 17 15.375 -43.187 -42.271 1.00 28.12 H new ATOM 0 HB2 GLU B 17 14.232 -45.870 -42.463 1.00 28.76 H new ATOM 0 HB3 GLU B 17 13.163 -44.793 -41.588 1.00 28.76 H new ATOM 0 HG2 GLU B 17 14.180 -43.412 -43.903 1.00 28.83 H new ATOM 0 HG3 GLU B 17 13.573 -44.979 -44.400 1.00 28.83 H new ATOM 1496 N ASN B 18 15.514 -44.487 -39.341 1.00 27.58 N ATOM 1497 CA ASN B 18 15.313 -44.270 -37.913 1.00 27.16 C ATOM 1498 C ASN B 18 16.004 -42.995 -37.451 1.00 26.33 C ATOM 1499 O ASN B 18 17.108 -42.675 -37.902 1.00 26.18 O ATOM 1500 CB ASN B 18 15.842 -45.463 -37.118 1.00 27.37 C ATOM 1501 CG ASN B 18 14.768 -46.111 -36.271 1.00 27.17 C ATOM 1502 OD1 ASN B 18 14.298 -45.535 -35.291 1.00 26.74 O ATOM 1503 ND2 ASN B 18 14.380 -47.321 -36.638 1.00 27.56 N ATOM 0 H ASN B 18 16.149 -45.254 -39.563 1.00 27.58 H new ATOM 0 HA ASN B 18 14.243 -44.165 -37.736 1.00 27.16 H new ATOM 0 HB2 ASN B 18 16.254 -46.201 -37.806 1.00 27.37 H new ATOM 0 HB3 ASN B 18 16.659 -45.135 -36.476 1.00 27.37 H new ATOM 0 HD21 ASN B 18 13.665 -47.812 -36.101 1.00 27.56 H new ATOM 0 HD22 ASN B 18 14.796 -47.763 -37.458 1.00 27.56 H new ATOM 1510 N ARG B 19 15.337 -42.257 -36.576 1.00 25.86 N ATOM 1511 CA ARG B 19 15.871 -41.005 -36.069 1.00 25.09 C ATOM 1512 C ARG B 19 15.362 -40.727 -34.657 1.00 24.28 C ATOM 1513 O ARG B 19 14.267 -40.195 -34.473 1.00 23.72 O ATOM 1514 CB ARG B 19 15.493 -39.849 -36.996 1.00 24.95 C ATOM 1515 CG ARG B 19 16.611 -38.841 -37.197 1.00 25.02 C ATOM 1516 CD ARG B 19 17.290 -39.019 -38.546 1.00 25.65 C ATOM 1517 NE ARG B 19 16.660 -38.211 -39.589 1.00 25.93 N ATOM 1518 CZ ARG B 19 16.461 -38.628 -40.839 1.00 26.41 C ATOM 1519 NH1 ARG B 19 16.910 -39.818 -41.227 1.00 26.67 N ATOM 1520 NH2 ARG B 19 15.847 -37.843 -41.714 1.00 26.71 N ATOM 0 H ARG B 19 14.421 -42.506 -36.202 1.00 25.86 H new ATOM 0 HA ARG B 19 16.957 -41.092 -36.034 1.00 25.09 H new ATOM 0 HB2 ARG B 19 15.200 -40.252 -37.965 1.00 24.95 H new ATOM 0 HB3 ARG B 19 14.622 -39.337 -36.588 1.00 24.95 H new ATOM 0 HG2 ARG B 19 16.209 -37.831 -37.122 1.00 25.02 H new ATOM 0 HG3 ARG B 19 17.348 -38.950 -36.401 1.00 25.02 H new ATOM 0 HD2 ARG B 19 18.342 -38.745 -38.461 1.00 25.65 H new ATOM 0 HD3 ARG B 19 17.257 -40.070 -38.832 1.00 25.65 H new ATOM 0 HE ARG B 19 16.354 -37.269 -39.345 1.00 25.93 H new ATOM 0 HH11 ARG B 19 17.409 -40.415 -40.567 1.00 26.67 H new ATOM 0 HH12 ARG B 19 16.756 -40.134 -42.185 1.00 26.67 H new ATOM 0 HH21 ARG B 19 15.526 -36.917 -41.431 1.00 26.71 H new ATOM 0 HH22 ARG B 19 15.696 -38.165 -42.670 1.00 26.71 H new ATOM 1534 N ASP B 20 16.184 -41.044 -33.666 1.00 24.30 N ATOM 1535 CA ASP B 20 15.843 -40.775 -32.275 1.00 23.61 C ATOM 1536 C ASP B 20 16.507 -39.485 -31.815 1.00 22.79 C ATOM 1537 O ASP B 20 17.557 -39.505 -31.173 1.00 22.56 O ATOM 1538 CB ASP B 20 16.273 -41.938 -31.374 1.00 24.06 C ATOM 1539 CG ASP B 20 15.713 -41.819 -29.968 1.00 23.62 C ATOM 1540 OD1 ASP B 20 14.517 -41.491 -29.820 1.00 23.48 O ATOM 1541 OD2 ASP B 20 16.472 -42.035 -29.000 1.00 23.49 O ATOM 0 H ASP B 20 17.093 -41.488 -33.799 1.00 24.30 H new ATOM 0 HA ASP B 20 14.761 -40.666 -32.202 1.00 23.61 H new ATOM 0 HB2 ASP B 20 15.942 -42.878 -31.816 1.00 24.06 H new ATOM 0 HB3 ASP B 20 17.361 -41.974 -31.327 1.00 24.06 H new ATOM 1546 N LEU B 21 15.969 -38.364 -32.272 1.00 22.46 N ATOM 1547 CA LEU B 21 16.573 -37.067 -32.007 1.00 21.76 C ATOM 1548 C LEU B 21 15.664 -36.215 -31.128 1.00 20.84 C ATOM 1549 O LEU B 21 15.985 -35.065 -30.823 1.00 20.32 O ATOM 1550 CB LEU B 21 16.852 -36.342 -33.327 1.00 21.92 C ATOM 1551 CG LEU B 21 18.317 -36.320 -33.773 1.00 22.37 C ATOM 1552 CD1 LEU B 21 18.805 -37.723 -34.105 1.00 22.89 C ATOM 1553 CD2 LEU B 21 18.491 -35.399 -34.971 1.00 22.42 C ATOM 0 H LEU B 21 15.115 -38.327 -32.828 1.00 22.46 H new ATOM 0 HA LEU B 21 17.512 -37.226 -31.477 1.00 21.76 H new ATOM 0 HB2 LEU B 21 16.259 -36.812 -34.111 1.00 21.92 H new ATOM 0 HB3 LEU B 21 16.503 -35.313 -33.237 1.00 21.92 H new ATOM 0 HG LEU B 21 18.919 -35.938 -32.948 1.00 22.37 H new ATOM 0 HD11 LEU B 21 19.848 -37.681 -34.419 1.00 22.89 H new ATOM 0 HD12 LEU B 21 18.717 -38.357 -33.223 1.00 22.89 H new ATOM 0 HD13 LEU B 21 18.200 -38.137 -34.911 1.00 22.89 H new ATOM 0 HD21 LEU B 21 19.537 -35.393 -35.277 1.00 22.42 H new ATOM 0 HD22 LEU B 21 17.874 -35.755 -35.796 1.00 22.42 H new ATOM 0 HD23 LEU B 21 18.187 -34.388 -34.700 1.00 22.42 H new ATOM 1565 N GLU B 22 14.508 -36.766 -30.766 1.00 20.72 N ATOM 1566 CA GLU B 22 13.530 -36.036 -29.967 1.00 19.93 C ATOM 1567 C GLU B 22 14.115 -35.632 -28.620 1.00 19.41 C ATOM 1568 O GLU B 22 14.555 -36.479 -27.838 1.00 19.74 O ATOM 1569 CB GLU B 22 12.264 -36.870 -29.759 1.00 20.20 C ATOM 1570 CG GLU B 22 11.032 -36.035 -29.441 1.00 20.30 C ATOM 1571 CD GLU B 22 10.632 -35.118 -30.580 1.00 19.89 C ATOM 1572 OE1 GLU B 22 11.385 -34.164 -30.877 1.00 19.52 O ATOM 1573 OE2 GLU B 22 9.564 -35.343 -31.182 1.00 20.02 O ATOM 0 H GLU B 22 14.227 -37.715 -31.013 1.00 20.72 H new ATOM 0 HA GLU B 22 13.267 -35.131 -30.515 1.00 19.93 H new ATOM 0 HB2 GLU B 22 12.073 -37.457 -30.658 1.00 20.20 H new ATOM 0 HB3 GLU B 22 12.434 -37.577 -28.947 1.00 20.20 H new ATOM 0 HG2 GLU B 22 10.200 -36.699 -29.206 1.00 20.30 H new ATOM 0 HG3 GLU B 22 11.224 -35.437 -28.550 1.00 20.30 H new ATOM 1580 N ARG B 23 14.152 -34.332 -28.374 1.00 18.69 N ATOM 1581 CA ARG B 23 14.718 -33.798 -27.148 1.00 18.19 C ATOM 1582 C ARG B 23 13.799 -32.737 -26.557 1.00 17.33 C ATOM 1583 O ARG B 23 14.027 -31.535 -26.718 1.00 17.06 O ATOM 1584 CB ARG B 23 16.102 -33.210 -27.430 1.00 18.28 C ATOM 1585 CG ARG B 23 17.172 -33.650 -26.446 1.00 18.65 C ATOM 1586 CD ARG B 23 17.440 -35.146 -26.522 1.00 18.48 C ATOM 1587 NE ARG B 23 18.081 -35.541 -27.775 1.00 18.13 N ATOM 1588 CZ ARG B 23 18.248 -36.810 -28.150 1.00 17.91 C ATOM 1589 NH1 ARG B 23 17.803 -37.797 -27.374 1.00 18.00 N ATOM 1590 NH2 ARG B 23 18.846 -37.089 -29.302 1.00 17.74 N ATOM 0 H ARG B 23 13.793 -33.623 -29.014 1.00 18.69 H new ATOM 0 HA ARG B 23 14.818 -34.606 -26.423 1.00 18.19 H new ATOM 0 HB2 ARG B 23 16.409 -33.496 -28.436 1.00 18.28 H new ATOM 0 HB3 ARG B 23 16.033 -32.122 -27.414 1.00 18.28 H new ATOM 0 HG2 ARG B 23 18.095 -33.106 -26.648 1.00 18.65 H new ATOM 0 HG3 ARG B 23 16.863 -33.389 -25.434 1.00 18.65 H new ATOM 0 HD2 ARG B 23 18.074 -35.440 -25.686 1.00 18.48 H new ATOM 0 HD3 ARG B 23 16.499 -35.686 -26.414 1.00 18.48 H new ATOM 0 HE ARG B 23 18.419 -34.806 -28.396 1.00 18.13 H new ATOM 0 HH11 ARG B 23 17.335 -37.582 -26.494 1.00 18.00 H new ATOM 0 HH12 ARG B 23 17.930 -38.768 -27.660 1.00 18.00 H new ATOM 0 HH21 ARG B 23 19.178 -36.333 -29.901 1.00 17.74 H new ATOM 0 HH22 ARG B 23 18.974 -38.060 -29.588 1.00 17.74 H new ATOM 1604 N VAL B 24 12.757 -33.187 -25.877 1.00 17.00 N ATOM 1605 CA VAL B 24 11.793 -32.287 -25.261 1.00 16.23 C ATOM 1606 C VAL B 24 11.640 -32.593 -23.778 1.00 15.49 C ATOM 1607 O VAL B 24 11.897 -33.714 -23.336 1.00 15.64 O ATOM 1608 CB VAL B 24 10.404 -32.371 -25.935 1.00 16.53 C ATOM 1609 CG1 VAL B 24 10.205 -31.206 -26.891 1.00 16.12 C ATOM 1610 CG2 VAL B 24 10.220 -33.702 -26.656 1.00 17.37 C ATOM 0 H VAL B 24 12.556 -34.177 -25.737 1.00 17.00 H new ATOM 0 HA VAL B 24 12.182 -31.278 -25.394 1.00 16.23 H new ATOM 0 HB VAL B 24 9.646 -32.310 -25.154 1.00 16.53 H new ATOM 0 HG11 VAL B 24 9.222 -31.281 -27.356 1.00 16.12 H new ATOM 0 HG12 VAL B 24 10.275 -30.268 -26.341 1.00 16.12 H new ATOM 0 HG13 VAL B 24 10.975 -31.233 -27.662 1.00 16.12 H new ATOM 0 HG21 VAL B 24 9.234 -33.731 -27.120 1.00 17.37 H new ATOM 0 HG22 VAL B 24 10.986 -33.809 -27.424 1.00 17.37 H new ATOM 0 HG23 VAL B 24 10.308 -34.519 -25.940 1.00 17.37 H new ATOM 1620 N VAL B 25 11.212 -31.595 -23.022 1.00 14.81 N ATOM 1621 CA VAL B 25 10.993 -31.746 -21.593 1.00 14.13 C ATOM 1622 C VAL B 25 9.885 -30.795 -21.138 1.00 13.38 C ATOM 1623 O VAL B 25 9.651 -29.762 -21.769 1.00 13.23 O ATOM 1624 CB VAL B 25 12.291 -31.491 -20.785 1.00 14.18 C ATOM 1625 CG1 VAL B 25 12.710 -30.031 -20.864 1.00 13.94 C ATOM 1626 CG2 VAL B 25 12.122 -31.929 -19.335 1.00 14.46 C ATOM 0 H VAL B 25 11.008 -30.662 -23.380 1.00 14.81 H new ATOM 0 HA VAL B 25 10.688 -32.775 -21.403 1.00 14.13 H new ATOM 0 HB VAL B 25 13.085 -32.090 -21.231 1.00 14.18 H new ATOM 0 HG11 VAL B 25 13.623 -29.883 -20.288 1.00 13.94 H new ATOM 0 HG12 VAL B 25 12.889 -29.760 -21.904 1.00 13.94 H new ATOM 0 HG13 VAL B 25 11.918 -29.403 -20.457 1.00 13.94 H new ATOM 0 HG21 VAL B 25 13.046 -31.740 -18.788 1.00 14.46 H new ATOM 0 HG22 VAL B 25 11.308 -31.367 -18.878 1.00 14.46 H new ATOM 0 HG23 VAL B 25 11.891 -32.994 -19.301 1.00 14.46 H new ATOM 1636 N THR B 26 9.128 -31.209 -20.137 1.00 13.07 N ATOM 1637 CA THR B 26 7.976 -30.446 -19.693 1.00 12.47 C ATOM 1638 C THR B 26 8.114 -30.024 -18.233 1.00 11.78 C ATOM 1639 O THR B 26 7.494 -30.610 -17.346 1.00 11.91 O ATOM 1640 CB THR B 26 6.685 -31.265 -19.868 1.00 12.87 C ATOM 1641 OG1 THR B 26 6.993 -32.535 -20.460 1.00 13.71 O ATOM 1642 CG2 THR B 26 5.687 -30.526 -20.741 1.00 12.94 C ATOM 0 H THR B 26 9.291 -32.071 -19.616 1.00 13.07 H new ATOM 0 HA THR B 26 7.924 -29.549 -20.310 1.00 12.47 H new ATOM 0 HB THR B 26 6.239 -31.416 -18.885 1.00 12.87 H new ATOM 0 HG1 THR B 26 6.169 -33.054 -20.568 1.00 13.71 H new ATOM 0 HG21 THR B 26 4.784 -31.126 -20.849 1.00 12.94 H new ATOM 0 HG22 THR B 26 5.436 -29.572 -20.278 1.00 12.94 H new ATOM 0 HG23 THR B 26 6.124 -30.349 -21.724 1.00 12.94 H new ATOM 1650 N ALA B 27 8.895 -28.984 -17.995 1.00 11.17 N ATOM 1651 CA ALA B 27 9.061 -28.454 -16.650 1.00 10.52 C ATOM 1652 C ALA B 27 8.971 -26.933 -16.667 1.00 9.95 C ATOM 1653 O ALA B 27 9.990 -26.242 -16.689 1.00 9.71 O ATOM 1654 CB ALA B 27 10.390 -28.905 -16.063 1.00 10.28 C ATOM 0 H ALA B 27 9.424 -28.490 -18.714 1.00 11.17 H new ATOM 0 HA ALA B 27 8.259 -28.840 -16.021 1.00 10.52 H new ATOM 0 HB1 ALA B 27 10.499 -28.500 -15.057 1.00 10.28 H new ATOM 0 HB2 ALA B 27 10.419 -29.994 -16.021 1.00 10.28 H new ATOM 0 HB3 ALA B 27 11.206 -28.544 -16.690 1.00 10.28 H new ATOM 1660 N PRO B 28 7.747 -26.389 -16.736 1.00 9.96 N ATOM 1661 CA PRO B 28 7.537 -24.948 -16.819 1.00 9.63 C ATOM 1662 C PRO B 28 7.590 -24.273 -15.455 1.00 8.60 C ATOM 1663 O PRO B 28 7.349 -24.913 -14.427 1.00 8.30 O ATOM 1664 CB PRO B 28 6.137 -24.840 -17.419 1.00 10.21 C ATOM 1665 CG PRO B 28 5.429 -26.056 -16.927 1.00 10.68 C ATOM 1666 CD PRO B 28 6.474 -27.135 -16.797 1.00 10.54 C ATOM 0 HA PRO B 28 8.310 -24.451 -17.405 1.00 9.63 H new ATOM 0 HB2 PRO B 28 5.635 -23.929 -17.094 1.00 10.21 H new ATOM 0 HB3 PRO B 28 6.172 -24.814 -18.508 1.00 10.21 H new ATOM 0 HG2 PRO B 28 4.948 -25.864 -15.968 1.00 10.68 H new ATOM 0 HG3 PRO B 28 4.645 -26.357 -17.622 1.00 10.68 H new ATOM 0 HD2 PRO B 28 6.319 -27.736 -15.901 1.00 10.54 H new ATOM 0 HD3 PRO B 28 6.451 -27.818 -17.646 1.00 10.54 H new ATOM 1674 N VAL B 29 7.882 -22.975 -15.465 1.00 8.25 N ATOM 1675 CA VAL B 29 7.942 -22.165 -14.248 1.00 7.38 C ATOM 1676 C VAL B 29 9.001 -22.693 -13.279 1.00 6.86 C ATOM 1677 O VAL B 29 8.720 -23.537 -12.426 1.00 6.83 O ATOM 1678 CB VAL B 29 6.573 -22.094 -13.530 1.00 7.36 C ATOM 1679 CG1 VAL B 29 6.603 -21.068 -12.405 1.00 7.30 C ATOM 1680 CG2 VAL B 29 5.463 -21.766 -14.517 1.00 8.00 C ATOM 0 H VAL B 29 8.084 -22.453 -16.318 1.00 8.25 H new ATOM 0 HA VAL B 29 8.217 -21.158 -14.562 1.00 7.38 H new ATOM 0 HB VAL B 29 6.370 -23.073 -13.096 1.00 7.36 H new ATOM 0 HG11 VAL B 29 5.630 -21.036 -11.915 1.00 7.30 H new ATOM 0 HG12 VAL B 29 7.366 -21.347 -11.678 1.00 7.30 H new ATOM 0 HG13 VAL B 29 6.835 -20.085 -12.815 1.00 7.30 H new ATOM 0 HG21 VAL B 29 4.510 -21.721 -13.991 1.00 8.00 H new ATOM 0 HG22 VAL B 29 5.665 -20.802 -14.985 1.00 8.00 H new ATOM 0 HG23 VAL B 29 5.418 -22.539 -15.284 1.00 8.00 H new ATOM 1690 N SER B 30 10.205 -22.160 -13.387 1.00 6.76 N ATOM 1691 CA SER B 30 11.287 -22.542 -12.493 1.00 6.54 C ATOM 1692 C SER B 30 11.203 -21.753 -11.191 1.00 5.55 C ATOM 1693 O SER B 30 11.522 -22.268 -10.118 1.00 5.55 O ATOM 1694 CB SER B 30 12.633 -22.311 -13.178 1.00 7.31 C ATOM 1695 OG SER B 30 12.615 -22.831 -14.498 1.00 8.13 O ATOM 0 H SER B 30 10.460 -21.461 -14.085 1.00 6.76 H new ATOM 0 HA SER B 30 11.194 -23.602 -12.255 1.00 6.54 H new ATOM 0 HB2 SER B 30 12.856 -21.244 -13.204 1.00 7.31 H new ATOM 0 HB3 SER B 30 13.427 -22.789 -12.604 1.00 7.31 H new ATOM 0 HG SER B 30 13.484 -22.674 -14.924 1.00 8.13 H new ATOM 1701 N SER B 31 10.700 -20.530 -11.286 1.00 5.05 N ATOM 1702 CA SER B 31 10.498 -19.691 -10.115 1.00 4.38 C ATOM 1703 C SER B 31 9.205 -18.894 -10.259 1.00 3.76 C ATOM 1704 O SER B 31 8.982 -18.240 -11.278 1.00 4.12 O ATOM 1705 CB SER B 31 11.684 -18.741 -9.923 1.00 4.89 C ATOM 1706 OG SER B 31 12.851 -19.235 -10.565 1.00 5.76 O ATOM 0 H SER B 31 10.423 -20.096 -12.167 1.00 5.05 H new ATOM 0 HA SER B 31 10.423 -20.333 -9.237 1.00 4.38 H new ATOM 0 HB2 SER B 31 11.434 -17.759 -10.324 1.00 4.89 H new ATOM 0 HB3 SER B 31 11.880 -18.611 -8.859 1.00 4.89 H new ATOM 0 HG SER B 31 13.591 -18.607 -10.427 1.00 5.76 H new ATOM 1712 N GLY B 32 8.332 -19.012 -9.271 1.00 3.21 N ATOM 1713 CA GLY B 32 7.060 -18.322 -9.315 1.00 3.08 C ATOM 1714 C GLY B 32 6.530 -18.033 -7.929 1.00 2.11 C ATOM 1715 O GLY B 32 5.467 -18.517 -7.551 1.00 2.56 O ATOM 0 H GLY B 32 8.483 -19.576 -8.435 1.00 3.21 H new ATOM 0 HA2 GLY B 32 7.173 -17.387 -9.863 1.00 3.08 H new ATOM 0 HA3 GLY B 32 6.337 -18.927 -9.862 1.00 3.08 H new ATOM 1719 N LYS B 33 7.296 -17.287 -7.152 1.00 1.35 N ATOM 1720 CA LYS B 33 6.918 -16.978 -5.779 1.00 0.80 C ATOM 1721 C LYS B 33 7.024 -15.480 -5.517 1.00 0.59 C ATOM 1722 O LYS B 33 7.513 -15.051 -4.474 1.00 0.58 O ATOM 1723 CB LYS B 33 7.809 -17.749 -4.796 1.00 1.23 C ATOM 1724 CG LYS B 33 7.603 -19.255 -4.833 1.00 2.23 C ATOM 1725 CD LYS B 33 8.009 -19.904 -3.521 1.00 3.13 C ATOM 1726 CE LYS B 33 6.993 -20.940 -3.076 1.00 4.15 C ATOM 1727 NZ LYS B 33 6.644 -20.794 -1.637 1.00 4.99 N ATOM 0 H LYS B 33 8.185 -16.882 -7.446 1.00 1.35 H new ATOM 0 HA LYS B 33 5.882 -17.283 -5.631 1.00 0.80 H new ATOM 0 HB2 LYS B 33 8.853 -17.529 -5.017 1.00 1.23 H new ATOM 0 HB3 LYS B 33 7.615 -17.390 -3.785 1.00 1.23 H new ATOM 0 HG2 LYS B 33 6.556 -19.475 -5.040 1.00 2.23 H new ATOM 0 HG3 LYS B 33 8.186 -19.683 -5.648 1.00 2.23 H new ATOM 0 HD2 LYS B 33 8.985 -20.375 -3.634 1.00 3.13 H new ATOM 0 HD3 LYS B 33 8.111 -19.139 -2.751 1.00 3.13 H new ATOM 0 HE2 LYS B 33 6.090 -20.846 -3.680 1.00 4.15 H new ATOM 0 HE3 LYS B 33 7.392 -21.939 -3.253 1.00 4.15 H new ATOM 0 HZ1 LYS B 33 5.698 -21.190 -1.467 1.00 4.99 H new ATOM 0 HZ2 LYS B 33 7.342 -21.303 -1.057 1.00 4.99 H new ATOM 0 HZ3 LYS B 33 6.649 -19.786 -1.379 1.00 4.99 H new ATOM 1741 N ILE B 34 6.563 -14.686 -6.470 1.00 0.67 N ATOM 1742 CA ILE B 34 6.616 -13.236 -6.346 1.00 0.59 C ATOM 1743 C ILE B 34 5.212 -12.658 -6.206 1.00 0.57 C ATOM 1744 O ILE B 34 4.283 -13.077 -6.899 1.00 0.68 O ATOM 1745 CB ILE B 34 7.322 -12.590 -7.552 1.00 0.78 C ATOM 1746 CG1 ILE B 34 7.278 -13.521 -8.770 1.00 1.38 C ATOM 1747 CG2 ILE B 34 8.758 -12.236 -7.190 1.00 1.45 C ATOM 1748 CD1 ILE B 34 7.699 -12.854 -10.061 1.00 1.92 C ATOM 0 H ILE B 34 6.147 -15.020 -7.339 1.00 0.67 H new ATOM 0 HA ILE B 34 7.192 -13.008 -5.449 1.00 0.59 H new ATOM 0 HB ILE B 34 6.795 -11.672 -7.814 1.00 0.78 H new ATOM 0 HG12 ILE B 34 7.927 -14.377 -8.585 1.00 1.38 H new ATOM 0 HG13 ILE B 34 6.265 -13.907 -8.884 1.00 1.38 H new ATOM 0 HG21 ILE B 34 9.248 -11.780 -8.050 1.00 1.45 H new ATOM 0 HG22 ILE B 34 8.761 -11.534 -6.356 1.00 1.45 H new ATOM 0 HG23 ILE B 34 9.295 -13.141 -6.904 1.00 1.45 H new ATOM 0 HD11 ILE B 34 7.643 -13.574 -10.878 1.00 1.92 H new ATOM 0 HD12 ILE B 34 7.035 -12.015 -10.270 1.00 1.92 H new ATOM 0 HD13 ILE B 34 8.723 -12.492 -9.967 1.00 1.92 H new ATOM 1760 N LYS B 35 5.059 -11.736 -5.269 1.00 0.54 N ATOM 1761 CA LYS B 35 3.770 -11.120 -4.978 1.00 0.58 C ATOM 1762 C LYS B 35 3.780 -9.654 -5.398 1.00 0.59 C ATOM 1763 O LYS B 35 4.831 -9.032 -5.444 1.00 0.67 O ATOM 1764 CB LYS B 35 3.451 -11.230 -3.481 1.00 0.70 C ATOM 1765 CG LYS B 35 4.289 -12.266 -2.743 1.00 0.94 C ATOM 1766 CD LYS B 35 3.482 -13.512 -2.422 1.00 1.25 C ATOM 1767 CE LYS B 35 4.194 -14.770 -2.889 1.00 1.12 C ATOM 1768 NZ LYS B 35 3.349 -15.984 -2.728 1.00 1.30 N ATOM 0 H LYS B 35 5.823 -11.392 -4.688 1.00 0.54 H new ATOM 0 HA LYS B 35 3.000 -11.647 -5.542 1.00 0.58 H new ATOM 0 HB2 LYS B 35 3.603 -10.256 -3.015 1.00 0.70 H new ATOM 0 HB3 LYS B 35 2.397 -11.479 -3.362 1.00 0.70 H new ATOM 0 HG2 LYS B 35 5.152 -12.537 -3.351 1.00 0.94 H new ATOM 0 HG3 LYS B 35 4.674 -11.833 -1.820 1.00 0.94 H new ATOM 0 HD2 LYS B 35 3.309 -13.568 -1.347 1.00 1.25 H new ATOM 0 HD3 LYS B 35 2.504 -13.447 -2.900 1.00 1.25 H new ATOM 0 HE2 LYS B 35 4.474 -14.660 -3.937 1.00 1.12 H new ATOM 0 HE3 LYS B 35 5.118 -14.894 -2.324 1.00 1.12 H new ATOM 0 HZ1 LYS B 35 3.874 -16.819 -3.059 1.00 1.30 H new ATOM 0 HZ2 LYS B 35 3.103 -16.105 -1.725 1.00 1.30 H new ATOM 0 HZ3 LYS B 35 2.479 -15.878 -3.288 1.00 1.30 H new ATOM 1782 N ARG B 36 2.617 -9.100 -5.690 1.00 0.63 N ATOM 1783 CA ARG B 36 2.526 -7.707 -6.103 1.00 0.65 C ATOM 1784 C ARG B 36 1.987 -6.846 -4.967 1.00 0.63 C ATOM 1785 O ARG B 36 1.083 -7.260 -4.235 1.00 0.77 O ATOM 1786 CB ARG B 36 1.625 -7.565 -7.335 1.00 0.72 C ATOM 1787 CG ARG B 36 1.917 -8.576 -8.433 1.00 1.52 C ATOM 1788 CD ARG B 36 3.291 -8.362 -9.047 1.00 1.83 C ATOM 1789 NE ARG B 36 3.777 -9.558 -9.730 1.00 2.61 N ATOM 1790 CZ ARG B 36 4.723 -9.546 -10.669 1.00 3.31 C ATOM 1791 NH1 ARG B 36 5.277 -8.400 -11.048 1.00 3.37 N ATOM 1792 NH2 ARG B 36 5.117 -10.685 -11.223 1.00 4.33 N ATOM 0 H ARG B 36 1.723 -9.590 -5.650 1.00 0.63 H new ATOM 0 HA ARG B 36 3.529 -7.366 -6.360 1.00 0.65 H new ATOM 0 HB2 ARG B 36 0.585 -7.669 -7.026 1.00 0.72 H new ATOM 0 HB3 ARG B 36 1.738 -6.560 -7.741 1.00 0.72 H new ATOM 0 HG2 ARG B 36 1.855 -9.585 -8.024 1.00 1.52 H new ATOM 0 HG3 ARG B 36 1.156 -8.499 -9.210 1.00 1.52 H new ATOM 0 HD2 ARG B 36 3.247 -7.533 -9.754 1.00 1.83 H new ATOM 0 HD3 ARG B 36 3.997 -8.078 -8.266 1.00 1.83 H new ATOM 0 HE ARG B 36 3.368 -10.456 -9.473 1.00 2.61 H new ATOM 0 HH11 ARG B 36 4.979 -7.523 -10.620 1.00 3.37 H new ATOM 0 HH12 ARG B 36 6.001 -8.397 -11.767 1.00 3.37 H new ATOM 0 HH21 ARG B 36 4.696 -11.567 -10.930 1.00 4.33 H new ATOM 0 HH22 ARG B 36 5.841 -10.679 -11.942 1.00 4.33 H new ATOM 1806 N VAL B 37 2.557 -5.661 -4.809 1.00 0.53 N ATOM 1807 CA VAL B 37 2.141 -4.747 -3.760 1.00 0.56 C ATOM 1808 C VAL B 37 1.962 -3.335 -4.318 1.00 0.49 C ATOM 1809 O VAL B 37 2.671 -2.918 -5.238 1.00 0.49 O ATOM 1810 CB VAL B 37 3.146 -4.752 -2.576 1.00 0.71 C ATOM 1811 CG1 VAL B 37 3.933 -3.450 -2.484 1.00 0.92 C ATOM 1812 CG2 VAL B 37 2.419 -5.028 -1.270 1.00 1.36 C ATOM 0 H VAL B 37 3.312 -5.310 -5.398 1.00 0.53 H new ATOM 0 HA VAL B 37 1.180 -5.090 -3.377 1.00 0.56 H new ATOM 0 HB VAL B 37 3.865 -5.550 -2.762 1.00 0.71 H new ATOM 0 HG11 VAL B 37 4.623 -3.500 -1.641 1.00 0.92 H new ATOM 0 HG12 VAL B 37 4.496 -3.299 -3.405 1.00 0.92 H new ATOM 0 HG13 VAL B 37 3.244 -2.618 -2.340 1.00 0.92 H new ATOM 0 HG21 VAL B 37 3.135 -5.029 -0.448 1.00 1.36 H new ATOM 0 HG22 VAL B 37 1.671 -4.254 -1.099 1.00 1.36 H new ATOM 0 HG23 VAL B 37 1.929 -6.000 -1.325 1.00 1.36 H new ATOM 1822 N ASN B 38 0.980 -2.624 -3.787 1.00 0.54 N ATOM 1823 CA ASN B 38 0.685 -1.268 -4.228 1.00 0.54 C ATOM 1824 C ASN B 38 0.923 -0.286 -3.092 1.00 0.52 C ATOM 1825 O ASN B 38 0.274 -0.365 -2.045 1.00 0.60 O ATOM 1826 CB ASN B 38 -0.763 -1.172 -4.709 1.00 0.66 C ATOM 1827 CG ASN B 38 -1.122 0.214 -5.213 1.00 0.92 C ATOM 1828 OD1 ASN B 38 -1.748 1.005 -4.506 1.00 1.67 O ATOM 1829 ND2 ASN B 38 -0.735 0.512 -6.443 1.00 1.37 N ATOM 0 H ASN B 38 0.369 -2.966 -3.045 1.00 0.54 H new ATOM 0 HA ASN B 38 1.347 -1.017 -5.057 1.00 0.54 H new ATOM 0 HB2 ASN B 38 -0.926 -1.897 -5.506 1.00 0.66 H new ATOM 0 HB3 ASN B 38 -1.432 -1.441 -3.892 1.00 0.66 H new ATOM 0 HD21 ASN B 38 -0.954 1.426 -6.839 1.00 1.37 H new ATOM 0 HD22 ASN B 38 -0.218 -0.173 -6.995 1.00 1.37 H new ATOM 1836 N VAL B 39 1.887 0.600 -3.268 1.00 0.48 N ATOM 1837 CA VAL B 39 2.227 1.557 -2.227 1.00 0.49 C ATOM 1838 C VAL B 39 2.164 2.983 -2.747 1.00 0.46 C ATOM 1839 O VAL B 39 2.102 3.213 -3.957 1.00 0.48 O ATOM 1840 CB VAL B 39 3.626 1.310 -1.633 1.00 0.54 C ATOM 1841 CG1 VAL B 39 3.506 0.844 -0.192 1.00 0.77 C ATOM 1842 CG2 VAL B 39 4.418 0.312 -2.463 1.00 0.54 C ATOM 0 H VAL B 39 2.447 0.678 -4.117 1.00 0.48 H new ATOM 0 HA VAL B 39 1.486 1.416 -1.440 1.00 0.49 H new ATOM 0 HB VAL B 39 4.174 2.252 -1.653 1.00 0.54 H new ATOM 0 HG11 VAL B 39 4.501 0.672 0.219 1.00 0.77 H new ATOM 0 HG12 VAL B 39 2.997 1.608 0.396 1.00 0.77 H new ATOM 0 HG13 VAL B 39 2.933 -0.083 -0.156 1.00 0.77 H new ATOM 0 HG21 VAL B 39 5.400 0.163 -2.013 1.00 0.54 H new ATOM 0 HG22 VAL B 39 3.885 -0.638 -2.495 1.00 0.54 H new ATOM 0 HG23 VAL B 39 4.538 0.695 -3.476 1.00 0.54 H new ATOM 1852 N ASN B 40 2.155 3.931 -1.822 1.00 0.52 N ATOM 1853 CA ASN B 40 2.090 5.339 -2.165 1.00 0.57 C ATOM 1854 C ASN B 40 3.234 6.092 -1.505 1.00 0.56 C ATOM 1855 O ASN B 40 3.296 6.205 -0.279 1.00 0.72 O ATOM 1856 CB ASN B 40 0.750 5.932 -1.724 1.00 0.77 C ATOM 1857 CG ASN B 40 -0.345 5.726 -2.753 1.00 1.47 C ATOM 1858 OD1 ASN B 40 -0.751 6.661 -3.445 1.00 2.28 O ATOM 1859 ND2 ASN B 40 -0.840 4.499 -2.853 1.00 1.99 N ATOM 0 H ASN B 40 2.192 3.745 -0.820 1.00 0.52 H new ATOM 0 HA ASN B 40 2.178 5.438 -3.247 1.00 0.57 H new ATOM 0 HB2 ASN B 40 0.448 5.476 -0.781 1.00 0.77 H new ATOM 0 HB3 ASN B 40 0.873 6.999 -1.538 1.00 0.77 H new ATOM 0 HD21 ASN B 40 -1.585 4.302 -3.522 1.00 1.99 H new ATOM 0 HD22 ASN B 40 -0.476 3.752 -2.261 1.00 1.99 H new ATOM 1866 N PHE B 41 4.132 6.617 -2.321 1.00 0.48 N ATOM 1867 CA PHE B 41 5.259 7.393 -1.825 1.00 0.55 C ATOM 1868 C PHE B 41 5.013 8.870 -2.084 1.00 0.60 C ATOM 1869 O PHE B 41 4.152 9.225 -2.878 1.00 0.76 O ATOM 1870 CB PHE B 41 6.572 6.972 -2.503 1.00 0.66 C ATOM 1871 CG PHE B 41 6.849 5.492 -2.491 1.00 0.67 C ATOM 1872 CD1 PHE B 41 6.306 4.692 -1.498 1.00 1.04 C ATOM 1873 CD2 PHE B 41 7.643 4.898 -3.460 1.00 1.12 C ATOM 1874 CE1 PHE B 41 6.549 3.331 -1.472 1.00 1.08 C ATOM 1875 CE2 PHE B 41 7.892 3.539 -3.438 1.00 1.26 C ATOM 1876 CZ PHE B 41 7.369 2.759 -2.496 1.00 0.93 C ATOM 0 H PHE B 41 4.103 6.520 -3.336 1.00 0.48 H new ATOM 0 HA PHE B 41 5.351 7.208 -0.755 1.00 0.55 H new ATOM 0 HB2 PHE B 41 6.555 7.315 -3.538 1.00 0.66 H new ATOM 0 HB3 PHE B 41 7.398 7.485 -2.011 1.00 0.66 H new ATOM 0 HD1 PHE B 41 5.685 5.137 -0.735 1.00 1.04 H new ATOM 0 HD2 PHE B 41 8.073 5.506 -4.243 1.00 1.12 H new ATOM 0 HE1 PHE B 41 6.128 2.712 -0.694 1.00 1.08 H new ATOM 0 HE2 PHE B 41 8.522 3.103 -4.199 1.00 1.26 H new ATOM 0 HZ PHE B 41 7.563 1.697 -2.504 1.00 0.93 H new ATOM 1886 N ASP B 42 5.754 9.722 -1.402 1.00 0.56 N ATOM 1887 CA ASP B 42 5.608 11.165 -1.559 1.00 0.59 C ATOM 1888 C ASP B 42 5.978 11.610 -2.968 1.00 0.54 C ATOM 1889 O ASP B 42 6.760 10.945 -3.655 1.00 0.51 O ATOM 1890 CB ASP B 42 6.497 11.887 -0.551 1.00 0.68 C ATOM 1891 CG ASP B 42 5.917 13.212 -0.104 1.00 1.22 C ATOM 1892 OD1 ASP B 42 6.147 14.233 -0.789 1.00 1.66 O ATOM 1893 OD2 ASP B 42 5.219 13.235 0.929 1.00 2.03 O ATOM 0 H ASP B 42 6.468 9.443 -0.729 1.00 0.56 H new ATOM 0 HA ASP B 42 4.563 11.418 -1.382 1.00 0.59 H new ATOM 0 HB2 ASP B 42 6.645 11.248 0.319 1.00 0.68 H new ATOM 0 HB3 ASP B 42 7.479 12.056 -0.994 1.00 0.68 H new ATOM 1898 N GLU B 43 5.468 12.768 -3.366 1.00 0.63 N ATOM 1899 CA GLU B 43 5.795 13.348 -4.658 1.00 0.67 C ATOM 1900 C GLU B 43 7.279 13.672 -4.724 1.00 0.56 C ATOM 1901 O GLU B 43 7.938 13.407 -5.728 1.00 0.60 O ATOM 1902 CB GLU B 43 4.974 14.615 -4.904 1.00 0.87 C ATOM 1903 CG GLU B 43 4.259 14.625 -6.245 1.00 1.09 C ATOM 1904 CD GLU B 43 4.745 15.736 -7.151 1.00 1.11 C ATOM 1905 OE1 GLU B 43 5.202 16.773 -6.632 1.00 1.63 O ATOM 1906 OE2 GLU B 43 4.678 15.574 -8.386 1.00 1.73 O ATOM 0 H GLU B 43 4.822 13.326 -2.807 1.00 0.63 H new ATOM 0 HA GLU B 43 5.552 12.621 -5.433 1.00 0.67 H new ATOM 0 HB2 GLU B 43 4.237 14.721 -4.108 1.00 0.87 H new ATOM 0 HB3 GLU B 43 5.632 15.482 -4.846 1.00 0.87 H new ATOM 0 HG2 GLU B 43 4.408 13.665 -6.740 1.00 1.09 H new ATOM 0 HG3 GLU B 43 3.187 14.736 -6.081 1.00 1.09 H new ATOM 1913 N GLU B 44 7.808 14.175 -3.615 1.00 0.52 N ATOM 1914 CA GLU B 44 9.224 14.496 -3.509 1.00 0.54 C ATOM 1915 C GLU B 44 10.083 13.245 -3.655 1.00 0.53 C ATOM 1916 O GLU B 44 11.164 13.281 -4.246 1.00 0.57 O ATOM 1917 CB GLU B 44 9.511 15.150 -2.163 1.00 0.62 C ATOM 1918 CG GLU B 44 9.722 16.650 -2.251 1.00 0.91 C ATOM 1919 CD GLU B 44 8.419 17.420 -2.248 1.00 1.74 C ATOM 1920 OE1 GLU B 44 7.841 17.616 -1.160 1.00 2.36 O ATOM 1921 OE2 GLU B 44 7.961 17.831 -3.337 1.00 2.52 O ATOM 0 H GLU B 44 7.271 14.370 -2.770 1.00 0.52 H new ATOM 0 HA GLU B 44 9.473 15.186 -4.315 1.00 0.54 H new ATOM 0 HB2 GLU B 44 8.682 14.947 -1.485 1.00 0.62 H new ATOM 0 HB3 GLU B 44 10.399 14.691 -1.727 1.00 0.62 H new ATOM 0 HG2 GLU B 44 10.335 16.977 -1.412 1.00 0.91 H new ATOM 0 HG3 GLU B 44 10.276 16.883 -3.160 1.00 0.91 H new ATOM 1928 N LYS B 45 9.580 12.130 -3.143 1.00 0.52 N ATOM 1929 CA LYS B 45 10.300 10.869 -3.209 1.00 0.56 C ATOM 1930 C LYS B 45 10.379 10.369 -4.640 1.00 0.55 C ATOM 1931 O LYS B 45 11.312 9.662 -5.006 1.00 0.59 O ATOM 1932 CB LYS B 45 9.630 9.817 -2.329 1.00 0.61 C ATOM 1933 CG LYS B 45 9.722 10.118 -0.841 1.00 0.75 C ATOM 1934 CD LYS B 45 9.917 8.855 -0.025 1.00 0.96 C ATOM 1935 CE LYS B 45 10.995 9.043 1.030 1.00 1.30 C ATOM 1936 NZ LYS B 45 10.445 9.602 2.292 1.00 1.74 N ATOM 0 H LYS B 45 8.674 12.075 -2.677 1.00 0.52 H new ATOM 0 HA LYS B 45 11.311 11.042 -2.841 1.00 0.56 H new ATOM 0 HB2 LYS B 45 8.580 9.736 -2.610 1.00 0.61 H new ATOM 0 HB3 LYS B 45 10.088 8.847 -2.524 1.00 0.61 H new ATOM 0 HG2 LYS B 45 10.552 10.801 -0.658 1.00 0.75 H new ATOM 0 HG3 LYS B 45 8.814 10.625 -0.515 1.00 0.75 H new ATOM 0 HD2 LYS B 45 8.978 8.581 0.456 1.00 0.96 H new ATOM 0 HD3 LYS B 45 10.190 8.031 -0.685 1.00 0.96 H new ATOM 0 HE2 LYS B 45 11.473 8.085 1.235 1.00 1.30 H new ATOM 0 HE3 LYS B 45 11.768 9.708 0.645 1.00 1.30 H new ATOM 0 HZ1 LYS B 45 11.206 9.683 2.996 1.00 1.74 H new ATOM 0 HZ2 LYS B 45 10.042 10.543 2.108 1.00 1.74 H new ATOM 0 HZ3 LYS B 45 9.702 8.972 2.656 1.00 1.74 H new ATOM 1950 N HIS B 46 9.435 10.798 -5.467 1.00 0.52 N ATOM 1951 CA HIS B 46 9.438 10.420 -6.875 1.00 0.55 C ATOM 1952 C HIS B 46 10.465 11.241 -7.646 1.00 0.56 C ATOM 1953 O HIS B 46 11.138 10.724 -8.539 1.00 0.58 O ATOM 1954 CB HIS B 46 8.052 10.587 -7.495 1.00 0.59 C ATOM 1955 CG HIS B 46 7.669 9.456 -8.403 1.00 0.70 C ATOM 1956 ND1 HIS B 46 7.741 9.530 -9.776 1.00 0.94 N ATOM 1957 CD2 HIS B 46 7.199 8.216 -8.122 1.00 0.81 C ATOM 1958 CE1 HIS B 46 7.335 8.391 -10.300 1.00 1.07 C ATOM 1959 NE2 HIS B 46 6.998 7.573 -9.318 1.00 0.99 N ATOM 0 H HIS B 46 8.662 11.404 -5.191 1.00 0.52 H new ATOM 0 HA HIS B 46 9.712 9.367 -6.938 1.00 0.55 H new ATOM 0 HB2 HIS B 46 7.313 10.671 -6.698 1.00 0.59 H new ATOM 0 HB3 HIS B 46 8.023 11.521 -8.057 1.00 0.59 H new ATOM 0 HD2 HIS B 46 7.016 7.809 -7.138 1.00 0.81 H new ATOM 0 HE1 HIS B 46 7.286 8.164 -11.355 1.00 1.07 H new ATOM 0 HE2 HIS B 46 6.647 6.622 -9.430 1.00 0.99 H new ATOM 1968 N THR B 47 10.633 12.497 -7.248 1.00 0.59 N ATOM 1969 CA THR B 47 11.635 13.366 -7.848 1.00 0.64 C ATOM 1970 C THR B 47 13.034 12.817 -7.589 1.00 0.62 C ATOM 1971 O THR B 47 13.841 12.663 -8.514 1.00 0.65 O ATOM 1972 CB THR B 47 11.531 14.791 -7.283 1.00 0.71 C ATOM 1973 OG1 THR B 47 10.253 14.969 -6.657 1.00 0.85 O ATOM 1974 CG2 THR B 47 11.709 15.825 -8.380 1.00 0.79 C ATOM 0 H THR B 47 10.085 12.937 -6.509 1.00 0.59 H new ATOM 0 HA THR B 47 11.453 13.399 -8.922 1.00 0.64 H new ATOM 0 HB THR B 47 12.324 14.928 -6.548 1.00 0.71 H new ATOM 0 HG1 THR B 47 10.189 15.878 -6.296 1.00 0.85 H new ATOM 0 HG21 THR B 47 11.631 16.825 -7.954 1.00 0.79 H new ATOM 0 HG22 THR B 47 12.689 15.702 -8.840 1.00 0.79 H new ATOM 0 HG23 THR B 47 10.935 15.691 -9.135 1.00 0.79 H new ATOM 1982 N ARG B 48 13.275 12.428 -6.340 1.00 0.59 N ATOM 1983 CA ARG B 48 14.540 11.811 -5.972 1.00 0.61 C ATOM 1984 C ARG B 48 14.670 10.452 -6.634 1.00 0.54 C ATOM 1985 O ARG B 48 15.749 10.080 -7.077 1.00 0.56 O ATOM 1986 CB ARG B 48 14.663 11.645 -4.456 1.00 0.66 C ATOM 1987 CG ARG B 48 14.197 12.849 -3.661 1.00 0.93 C ATOM 1988 CD ARG B 48 15.166 14.013 -3.773 1.00 1.46 C ATOM 1989 NE ARG B 48 14.834 15.079 -2.832 1.00 1.67 N ATOM 1990 CZ ARG B 48 15.609 16.135 -2.583 1.00 1.70 C ATOM 1991 NH1 ARG B 48 16.767 16.286 -3.212 1.00 1.82 N ATOM 1992 NH2 ARG B 48 15.217 17.047 -1.703 1.00 2.26 N ATOM 0 H ARG B 48 12.613 12.530 -5.571 1.00 0.59 H new ATOM 0 HA ARG B 48 15.338 12.469 -6.314 1.00 0.61 H new ATOM 0 HB2 ARG B 48 14.084 10.774 -4.149 1.00 0.66 H new ATOM 0 HB3 ARG B 48 15.704 11.440 -4.207 1.00 0.66 H new ATOM 0 HG2 ARG B 48 13.214 13.160 -4.016 1.00 0.93 H new ATOM 0 HG3 ARG B 48 14.084 12.570 -2.613 1.00 0.93 H new ATOM 0 HD2 ARG B 48 16.181 13.662 -3.584 1.00 1.46 H new ATOM 0 HD3 ARG B 48 15.149 14.405 -4.790 1.00 1.46 H new ATOM 0 HE ARG B 48 13.948 15.011 -2.331 1.00 1.67 H new ATOM 0 HH11 ARG B 48 17.072 15.591 -3.893 1.00 1.82 H new ATOM 0 HH12 ARG B 48 17.353 17.097 -3.014 1.00 1.82 H new ATOM 0 HH21 ARG B 48 14.325 16.939 -1.219 1.00 2.26 H new ATOM 0 HH22 ARG B 48 15.807 17.856 -1.510 1.00 2.26 H new ATOM 2006 N PHE B 49 13.560 9.725 -6.705 1.00 0.49 N ATOM 2007 CA PHE B 49 13.532 8.402 -7.319 1.00 0.45 C ATOM 2008 C PHE B 49 14.030 8.464 -8.755 1.00 0.47 C ATOM 2009 O PHE B 49 14.883 7.682 -9.154 1.00 0.48 O ATOM 2010 CB PHE B 49 12.113 7.831 -7.297 1.00 0.48 C ATOM 2011 CG PHE B 49 11.965 6.590 -6.462 1.00 0.38 C ATOM 2012 CD1 PHE B 49 12.995 6.173 -5.635 1.00 0.83 C ATOM 2013 CD2 PHE B 49 10.802 5.843 -6.506 1.00 1.06 C ATOM 2014 CE1 PHE B 49 12.863 5.034 -4.865 1.00 0.87 C ATOM 2015 CE2 PHE B 49 10.665 4.703 -5.740 1.00 1.27 C ATOM 2016 CZ PHE B 49 11.690 4.296 -4.922 1.00 0.85 C ATOM 0 H PHE B 49 12.659 10.034 -6.341 1.00 0.49 H new ATOM 0 HA PHE B 49 14.190 7.751 -6.743 1.00 0.45 H new ATOM 0 HB2 PHE B 49 11.432 8.594 -6.920 1.00 0.48 H new ATOM 0 HB3 PHE B 49 11.807 7.607 -8.319 1.00 0.48 H new ATOM 0 HD1 PHE B 49 13.911 6.744 -5.592 1.00 0.83 H new ATOM 0 HD2 PHE B 49 9.991 6.155 -7.147 1.00 1.06 H new ATOM 0 HE1 PHE B 49 13.670 4.719 -4.221 1.00 0.87 H new ATOM 0 HE2 PHE B 49 9.750 4.130 -5.784 1.00 1.27 H new ATOM 0 HZ PHE B 49 11.583 3.403 -4.324 1.00 0.85 H new ATOM 2026 N LYS B 50 13.510 9.422 -9.512 1.00 0.50 N ATOM 2027 CA LYS B 50 13.908 9.602 -10.901 1.00 0.54 C ATOM 2028 C LYS B 50 15.403 9.889 -11.006 1.00 0.53 C ATOM 2029 O LYS B 50 16.124 9.221 -11.750 1.00 0.52 O ATOM 2030 CB LYS B 50 13.111 10.744 -11.536 1.00 0.63 C ATOM 2031 CG LYS B 50 11.969 10.273 -12.421 1.00 0.91 C ATOM 2032 CD LYS B 50 12.437 9.257 -13.452 1.00 1.54 C ATOM 2033 CE LYS B 50 11.355 8.965 -14.473 1.00 2.02 C ATOM 2034 NZ LYS B 50 10.969 7.531 -14.480 1.00 2.55 N ATOM 0 H LYS B 50 12.810 10.088 -9.185 1.00 0.50 H new ATOM 0 HA LYS B 50 13.696 8.677 -11.438 1.00 0.54 H new ATOM 0 HB2 LYS B 50 12.709 11.378 -10.746 1.00 0.63 H new ATOM 0 HB3 LYS B 50 13.787 11.362 -12.128 1.00 0.63 H new ATOM 0 HG2 LYS B 50 11.188 9.830 -11.802 1.00 0.91 H new ATOM 0 HG3 LYS B 50 11.526 11.129 -12.929 1.00 0.91 H new ATOM 0 HD2 LYS B 50 13.325 9.634 -13.959 1.00 1.54 H new ATOM 0 HD3 LYS B 50 12.724 8.333 -12.950 1.00 1.54 H new ATOM 0 HE2 LYS B 50 10.478 9.575 -14.257 1.00 2.02 H new ATOM 0 HE3 LYS B 50 11.706 9.251 -15.465 1.00 2.02 H new ATOM 0 HZ1 LYS B 50 10.227 7.375 -15.192 1.00 2.55 H new ATOM 0 HZ2 LYS B 50 11.799 6.949 -14.712 1.00 2.55 H new ATOM 0 HZ3 LYS B 50 10.610 7.264 -13.541 1.00 2.55 H new ATOM 2048 N ALA B 51 15.864 10.870 -10.244 1.00 0.56 N ATOM 2049 CA ALA B 51 17.268 11.255 -10.269 1.00 0.61 C ATOM 2050 C ALA B 51 18.172 10.128 -9.766 1.00 0.57 C ATOM 2051 O ALA B 51 19.212 9.841 -10.363 1.00 0.58 O ATOM 2052 CB ALA B 51 17.477 12.515 -9.449 1.00 0.71 C ATOM 0 H ALA B 51 15.288 11.413 -9.602 1.00 0.56 H new ATOM 0 HA ALA B 51 17.543 11.455 -11.305 1.00 0.61 H new ATOM 0 HB1 ALA B 51 18.530 12.795 -9.474 1.00 0.71 H new ATOM 0 HB2 ALA B 51 16.877 13.324 -9.865 1.00 0.71 H new ATOM 0 HB3 ALA B 51 17.174 12.332 -8.418 1.00 0.71 H new ATOM 2058 N ALA B 52 17.778 9.501 -8.667 1.00 0.55 N ATOM 2059 CA ALA B 52 18.566 8.433 -8.075 1.00 0.59 C ATOM 2060 C ALA B 52 18.586 7.195 -8.960 1.00 0.51 C ATOM 2061 O ALA B 52 19.613 6.529 -9.073 1.00 0.54 O ATOM 2062 CB ALA B 52 18.039 8.086 -6.694 1.00 0.67 C ATOM 0 H ALA B 52 16.915 9.715 -8.167 1.00 0.55 H new ATOM 0 HA ALA B 52 19.591 8.792 -7.982 1.00 0.59 H new ATOM 0 HB1 ALA B 52 18.641 7.284 -6.266 1.00 0.67 H new ATOM 0 HB2 ALA B 52 18.095 8.965 -6.052 1.00 0.67 H new ATOM 0 HB3 ALA B 52 17.002 7.759 -6.772 1.00 0.67 H new ATOM 2068 N CYS B 53 17.461 6.887 -9.593 1.00 0.48 N ATOM 2069 CA CYS B 53 17.382 5.720 -10.457 1.00 0.53 C ATOM 2070 C CYS B 53 18.266 5.907 -11.686 1.00 0.50 C ATOM 2071 O CYS B 53 18.865 4.953 -12.179 1.00 0.56 O ATOM 2072 CB CYS B 53 15.930 5.432 -10.866 1.00 0.68 C ATOM 2073 SG CYS B 53 15.321 6.415 -12.258 1.00 1.15 S ATOM 0 H CYS B 53 16.598 7.426 -9.524 1.00 0.48 H new ATOM 0 HA CYS B 53 17.746 4.858 -9.898 1.00 0.53 H new ATOM 0 HB2 CYS B 53 15.842 4.376 -11.120 1.00 0.68 H new ATOM 0 HB3 CYS B 53 15.284 5.608 -10.006 1.00 0.68 H new ATOM 0 HG CYS B 53 15.887 7.585 -12.244 1.00 1.15 H new ATOM 2079 N ALA B 54 18.417 7.156 -12.119 1.00 0.51 N ATOM 2080 CA ALA B 54 19.299 7.474 -13.235 1.00 0.59 C ATOM 2081 C ALA B 54 20.759 7.449 -12.785 1.00 0.59 C ATOM 2082 O ALA B 54 21.662 7.165 -13.574 1.00 0.70 O ATOM 2083 CB ALA B 54 18.946 8.833 -13.820 1.00 0.69 C ATOM 0 H ALA B 54 17.940 7.962 -11.714 1.00 0.51 H new ATOM 0 HA ALA B 54 19.163 6.719 -14.009 1.00 0.59 H new ATOM 0 HB1 ALA B 54 19.614 9.055 -14.652 1.00 0.69 H new ATOM 0 HB2 ALA B 54 17.916 8.820 -14.175 1.00 0.69 H new ATOM 0 HB3 ALA B 54 19.055 9.599 -13.052 1.00 0.69 H new ATOM 2089 N ARG B 55 20.974 7.736 -11.509 1.00 0.55 N ATOM 2090 CA ARG B 55 22.309 7.741 -10.927 1.00 0.64 C ATOM 2091 C ARG B 55 22.780 6.323 -10.641 1.00 0.59 C ATOM 2092 O ARG B 55 23.978 6.043 -10.628 1.00 0.76 O ATOM 2093 CB ARG B 55 22.315 8.541 -9.626 1.00 0.72 C ATOM 2094 CG ARG B 55 23.216 9.762 -9.668 1.00 1.03 C ATOM 2095 CD ARG B 55 24.211 9.749 -8.520 1.00 1.37 C ATOM 2096 NE ARG B 55 25.405 8.958 -8.830 1.00 1.97 N ATOM 2097 CZ ARG B 55 25.940 8.056 -8.010 1.00 2.64 C ATOM 2098 NH1 ARG B 55 25.352 7.768 -6.853 1.00 2.89 N ATOM 2099 NH2 ARG B 55 27.053 7.426 -8.363 1.00 3.60 N ATOM 0 H ARG B 55 20.232 7.971 -10.850 1.00 0.55 H new ATOM 0 HA ARG B 55 22.986 8.203 -11.646 1.00 0.64 H new ATOM 0 HB2 ARG B 55 21.297 8.858 -9.400 1.00 0.72 H new ATOM 0 HB3 ARG B 55 22.635 7.891 -8.811 1.00 0.72 H new ATOM 0 HG2 ARG B 55 23.752 9.790 -10.617 1.00 1.03 H new ATOM 0 HG3 ARG B 55 22.610 10.667 -9.618 1.00 1.03 H new ATOM 0 HD2 ARG B 55 24.506 10.772 -8.286 1.00 1.37 H new ATOM 0 HD3 ARG B 55 23.730 9.344 -7.630 1.00 1.37 H new ATOM 0 HE ARG B 55 25.855 9.108 -9.733 1.00 1.97 H new ATOM 0 HH11 ARG B 55 24.486 8.239 -6.590 1.00 2.89 H new ATOM 0 HH12 ARG B 55 25.766 7.076 -6.229 1.00 2.89 H new ATOM 0 HH21 ARG B 55 27.494 7.634 -9.259 1.00 3.60 H new ATOM 0 HH22 ARG B 55 27.467 6.734 -7.739 1.00 3.60 H new ATOM 2113 N LYS B 56 21.839 5.474 -10.271 1.00 0.47 N ATOM 2114 CA LYS B 56 22.158 4.125 -9.836 1.00 0.52 C ATOM 2115 C LYS B 56 21.968 3.117 -10.963 1.00 0.51 C ATOM 2116 O LYS B 56 22.388 1.965 -10.851 1.00 0.60 O ATOM 2117 CB LYS B 56 21.275 3.747 -8.647 1.00 0.61 C ATOM 2118 CG LYS B 56 22.044 3.541 -7.357 1.00 0.74 C ATOM 2119 CD LYS B 56 22.200 2.067 -7.038 1.00 0.91 C ATOM 2120 CE LYS B 56 23.646 1.618 -7.162 1.00 1.62 C ATOM 2121 NZ LYS B 56 24.525 2.322 -6.193 1.00 1.85 N ATOM 0 H LYS B 56 20.843 5.695 -10.263 1.00 0.47 H new ATOM 0 HA LYS B 56 23.207 4.103 -9.539 1.00 0.52 H new ATOM 0 HB2 LYS B 56 20.531 4.529 -8.495 1.00 0.61 H new ATOM 0 HB3 LYS B 56 20.732 2.833 -8.886 1.00 0.61 H new ATOM 0 HG2 LYS B 56 23.028 4.003 -7.440 1.00 0.74 H new ATOM 0 HG3 LYS B 56 21.525 4.040 -6.538 1.00 0.74 H new ATOM 0 HD2 LYS B 56 21.844 1.873 -6.026 1.00 0.91 H new ATOM 0 HD3 LYS B 56 21.577 1.480 -7.713 1.00 0.91 H new ATOM 0 HE2 LYS B 56 23.709 0.543 -6.995 1.00 1.62 H new ATOM 0 HE3 LYS B 56 23.999 1.805 -8.176 1.00 1.62 H new ATOM 0 HZ1 LYS B 56 25.363 1.738 -5.996 1.00 1.85 H new ATOM 0 HZ2 LYS B 56 24.825 3.233 -6.595 1.00 1.85 H new ATOM 0 HZ3 LYS B 56 24.004 2.488 -5.309 1.00 1.85 H new ATOM 2135 N GLY B 57 21.265 3.525 -12.010 1.00 0.46 N ATOM 2136 CA GLY B 57 20.936 2.608 -13.083 1.00 0.51 C ATOM 2137 C GLY B 57 19.887 1.612 -12.646 1.00 0.59 C ATOM 2138 O GLY B 57 20.162 0.418 -12.523 1.00 0.75 O ATOM 0 H GLY B 57 20.916 4.475 -12.136 1.00 0.46 H new ATOM 0 HA2 GLY B 57 20.573 3.168 -13.945 1.00 0.51 H new ATOM 0 HA3 GLY B 57 21.834 2.079 -13.401 1.00 0.51 H new ATOM 2142 N THR B 58 18.746 2.133 -12.231 1.00 0.63 N ATOM 2143 CA THR B 58 17.712 1.324 -11.611 1.00 0.77 C ATOM 2144 C THR B 58 16.336 1.638 -12.201 1.00 0.62 C ATOM 2145 O THR B 58 16.065 2.773 -12.600 1.00 0.57 O ATOM 2146 CB THR B 58 17.692 1.584 -10.092 1.00 1.02 C ATOM 2147 OG1 THR B 58 19.008 1.931 -9.645 1.00 1.92 O ATOM 2148 CG2 THR B 58 17.209 0.373 -9.320 1.00 0.92 C ATOM 0 H THR B 58 18.511 3.122 -12.313 1.00 0.63 H new ATOM 0 HA THR B 58 17.938 0.276 -11.806 1.00 0.77 H new ATOM 0 HB THR B 58 16.999 2.405 -9.907 1.00 1.02 H new ATOM 0 HG1 THR B 58 19.137 1.612 -8.728 1.00 1.92 H new ATOM 0 HG21 THR B 58 17.210 0.597 -8.253 1.00 0.92 H new ATOM 0 HG22 THR B 58 16.197 0.119 -9.637 1.00 0.92 H new ATOM 0 HG23 THR B 58 17.872 -0.470 -9.514 1.00 0.92 H new ATOM 2156 N SER B 59 15.469 0.633 -12.243 1.00 0.66 N ATOM 2157 CA SER B 59 14.110 0.801 -12.744 1.00 0.66 C ATOM 2158 C SER B 59 13.198 1.303 -11.629 1.00 0.62 C ATOM 2159 O SER B 59 13.567 1.245 -10.456 1.00 0.66 O ATOM 2160 CB SER B 59 13.598 -0.536 -13.290 1.00 0.78 C ATOM 2161 OG SER B 59 14.570 -1.557 -13.123 1.00 0.87 O ATOM 0 H SER B 59 15.686 -0.314 -11.933 1.00 0.66 H new ATOM 0 HA SER B 59 14.110 1.538 -13.547 1.00 0.66 H new ATOM 0 HB2 SER B 59 12.679 -0.816 -12.775 1.00 0.78 H new ATOM 0 HB3 SER B 59 13.352 -0.432 -14.347 1.00 0.78 H new ATOM 0 HG SER B 59 14.221 -2.402 -13.477 1.00 0.87 H new ATOM 2167 N ILE B 60 12.023 1.815 -11.995 1.00 0.66 N ATOM 2168 CA ILE B 60 11.090 2.371 -11.017 1.00 0.73 C ATOM 2169 C ILE B 60 10.595 1.299 -10.041 1.00 0.76 C ATOM 2170 O ILE B 60 10.298 1.587 -8.885 1.00 0.85 O ATOM 2171 CB ILE B 60 9.889 3.068 -11.700 1.00 0.85 C ATOM 2172 CG1 ILE B 60 9.150 3.962 -10.698 1.00 0.97 C ATOM 2173 CG2 ILE B 60 8.936 2.050 -12.315 1.00 1.00 C ATOM 2174 CD1 ILE B 60 9.736 5.354 -10.580 1.00 0.91 C ATOM 0 H ILE B 60 11.696 1.856 -12.960 1.00 0.66 H new ATOM 0 HA ILE B 60 11.640 3.123 -10.452 1.00 0.73 H new ATOM 0 HB ILE B 60 10.275 3.692 -12.506 1.00 0.85 H new ATOM 0 HG12 ILE B 60 8.105 4.041 -10.996 1.00 0.97 H new ATOM 0 HG13 ILE B 60 9.166 3.486 -9.718 1.00 0.97 H new ATOM 0 HG21 ILE B 60 8.103 2.571 -12.787 1.00 1.00 H new ATOM 0 HG22 ILE B 60 9.466 1.461 -13.063 1.00 1.00 H new ATOM 0 HG23 ILE B 60 8.556 1.390 -11.535 1.00 1.00 H new ATOM 0 HD11 ILE B 60 9.162 5.930 -9.854 1.00 0.91 H new ATOM 0 HD12 ILE B 60 10.773 5.286 -10.251 1.00 0.91 H new ATOM 0 HD13 ILE B 60 9.695 5.850 -11.550 1.00 0.91 H new ATOM 2186 N THR B 61 10.578 0.058 -10.492 1.00 0.79 N ATOM 2187 CA THR B 61 10.208 -1.055 -9.640 1.00 0.85 C ATOM 2188 C THR B 61 11.426 -1.551 -8.858 1.00 0.77 C ATOM 2189 O THR B 61 11.319 -1.994 -7.711 1.00 0.75 O ATOM 2190 CB THR B 61 9.650 -2.212 -10.484 1.00 1.01 C ATOM 2191 OG1 THR B 61 9.309 -1.731 -11.793 1.00 1.12 O ATOM 2192 CG2 THR B 61 8.429 -2.832 -9.823 1.00 1.14 C ATOM 0 H THR B 61 10.817 -0.204 -11.448 1.00 0.79 H new ATOM 0 HA THR B 61 9.443 -0.711 -8.944 1.00 0.85 H new ATOM 0 HB THR B 61 10.417 -2.982 -10.566 1.00 1.01 H new ATOM 0 HG1 THR B 61 8.955 -2.470 -12.331 1.00 1.12 H new ATOM 0 HG21 THR B 61 8.055 -3.648 -10.442 1.00 1.14 H new ATOM 0 HG22 THR B 61 8.703 -3.218 -8.841 1.00 1.14 H new ATOM 0 HG23 THR B 61 7.652 -2.076 -9.712 1.00 1.14 H new ATOM 2200 N ASP B 62 12.578 -1.514 -9.517 1.00 0.74 N ATOM 2201 CA ASP B 62 13.814 -2.038 -8.947 1.00 0.73 C ATOM 2202 C ASP B 62 14.300 -1.193 -7.777 1.00 0.62 C ATOM 2203 O ASP B 62 14.854 -1.727 -6.818 1.00 0.61 O ATOM 2204 CB ASP B 62 14.904 -2.118 -10.015 1.00 0.82 C ATOM 2205 CG ASP B 62 15.444 -3.522 -10.198 1.00 1.16 C ATOM 2206 OD1 ASP B 62 14.636 -4.464 -10.340 1.00 1.68 O ATOM 2207 OD2 ASP B 62 16.680 -3.694 -10.178 1.00 1.81 O ATOM 0 H ASP B 62 12.682 -1.124 -10.454 1.00 0.74 H new ATOM 0 HA ASP B 62 13.599 -3.039 -8.574 1.00 0.73 H new ATOM 0 HB2 ASP B 62 14.504 -1.761 -10.964 1.00 0.82 H new ATOM 0 HB3 ASP B 62 15.722 -1.451 -9.743 1.00 0.82 H new ATOM 2212 N VAL B 63 14.109 0.124 -7.856 1.00 0.60 N ATOM 2213 CA VAL B 63 14.549 1.015 -6.783 1.00 0.57 C ATOM 2214 C VAL B 63 13.867 0.642 -5.475 1.00 0.56 C ATOM 2215 O VAL B 63 14.509 0.586 -4.423 1.00 0.59 O ATOM 2216 CB VAL B 63 14.269 2.505 -7.077 1.00 0.62 C ATOM 2217 CG1 VAL B 63 15.416 3.128 -7.848 1.00 0.81 C ATOM 2218 CG2 VAL B 63 12.959 2.687 -7.823 1.00 1.01 C ATOM 0 H VAL B 63 13.658 0.593 -8.642 1.00 0.60 H new ATOM 0 HA VAL B 63 15.629 0.887 -6.708 1.00 0.57 H new ATOM 0 HB VAL B 63 14.180 3.018 -6.120 1.00 0.62 H new ATOM 0 HG11 VAL B 63 15.196 4.177 -8.043 1.00 0.81 H new ATOM 0 HG12 VAL B 63 16.332 3.052 -7.262 1.00 0.81 H new ATOM 0 HG13 VAL B 63 15.546 2.603 -8.794 1.00 0.81 H new ATOM 0 HG21 VAL B 63 12.793 3.747 -8.014 1.00 1.01 H new ATOM 0 HG22 VAL B 63 13.002 2.150 -8.771 1.00 1.01 H new ATOM 0 HG23 VAL B 63 12.140 2.294 -7.221 1.00 1.01 H new ATOM 2228 N VAL B 64 12.585 0.308 -5.566 1.00 0.55 N ATOM 2229 CA VAL B 64 11.828 -0.128 -4.404 1.00 0.56 C ATOM 2230 C VAL B 64 12.354 -1.466 -3.902 1.00 0.55 C ATOM 2231 O VAL B 64 12.621 -1.628 -2.717 1.00 0.57 O ATOM 2232 CB VAL B 64 10.322 -0.254 -4.701 1.00 0.57 C ATOM 2233 CG1 VAL B 64 9.520 -0.177 -3.409 1.00 0.73 C ATOM 2234 CG2 VAL B 64 9.870 0.818 -5.681 1.00 0.67 C ATOM 0 H VAL B 64 12.050 0.332 -6.434 1.00 0.55 H new ATOM 0 HA VAL B 64 11.957 0.636 -3.638 1.00 0.56 H new ATOM 0 HB VAL B 64 10.143 -1.225 -5.162 1.00 0.57 H new ATOM 0 HG11 VAL B 64 8.457 -0.267 -3.634 1.00 0.73 H new ATOM 0 HG12 VAL B 64 9.820 -0.988 -2.745 1.00 0.73 H new ATOM 0 HG13 VAL B 64 9.707 0.780 -2.921 1.00 0.73 H new ATOM 0 HG21 VAL B 64 8.803 0.708 -5.874 1.00 0.67 H new ATOM 0 HG22 VAL B 64 10.062 1.803 -5.256 1.00 0.67 H new ATOM 0 HG23 VAL B 64 10.421 0.712 -6.616 1.00 0.67 H new ATOM 2244 N ASN B 65 12.599 -2.386 -4.826 1.00 0.55 N ATOM 2245 CA ASN B 65 13.175 -3.684 -4.482 1.00 0.56 C ATOM 2246 C ASN B 65 14.520 -3.514 -3.763 1.00 0.56 C ATOM 2247 O ASN B 65 14.878 -4.309 -2.893 1.00 0.56 O ATOM 2248 CB ASN B 65 13.365 -4.529 -5.748 1.00 0.58 C ATOM 2249 CG ASN B 65 13.302 -6.022 -5.478 1.00 0.77 C ATOM 2250 OD1 ASN B 65 13.049 -6.457 -4.354 1.00 0.86 O ATOM 2251 ND2 ASN B 65 13.530 -6.822 -6.511 1.00 1.46 N ATOM 0 H ASN B 65 12.409 -2.260 -5.820 1.00 0.55 H new ATOM 0 HA ASN B 65 12.486 -4.194 -3.809 1.00 0.56 H new ATOM 0 HB2 ASN B 65 12.597 -4.264 -6.474 1.00 0.58 H new ATOM 0 HB3 ASN B 65 14.327 -4.287 -6.199 1.00 0.58 H new ATOM 0 HD21 ASN B 65 13.499 -7.834 -6.389 1.00 1.46 H new ATOM 0 HD22 ASN B 65 13.736 -6.425 -7.428 1.00 1.46 H new ATOM 2258 N GLN B 66 15.249 -2.463 -4.132 1.00 0.58 N ATOM 2259 CA GLN B 66 16.559 -2.183 -3.555 1.00 0.60 C ATOM 2260 C GLN B 66 16.455 -1.655 -2.124 1.00 0.58 C ATOM 2261 O GLN B 66 17.268 -2.016 -1.266 1.00 0.61 O ATOM 2262 CB GLN B 66 17.308 -1.172 -4.418 1.00 0.65 C ATOM 2263 CG GLN B 66 18.681 -1.648 -4.852 1.00 0.84 C ATOM 2264 CD GLN B 66 19.087 -1.091 -6.199 1.00 1.25 C ATOM 2265 OE1 GLN B 66 19.086 -1.800 -7.201 1.00 2.01 O ATOM 2266 NE2 GLN B 66 19.445 0.182 -6.232 1.00 1.70 N ATOM 0 H GLN B 66 14.950 -1.787 -4.834 1.00 0.58 H new ATOM 0 HA GLN B 66 17.107 -3.125 -3.526 1.00 0.60 H new ATOM 0 HB2 GLN B 66 16.712 -0.950 -5.303 1.00 0.65 H new ATOM 0 HB3 GLN B 66 17.414 -0.240 -3.863 1.00 0.65 H new ATOM 0 HG2 GLN B 66 19.417 -1.354 -4.104 1.00 0.84 H new ATOM 0 HG3 GLN B 66 18.688 -2.737 -4.896 1.00 0.84 H new ATOM 0 HE21 GLN B 66 19.432 0.738 -5.377 1.00 1.70 H new ATOM 0 HE22 GLN B 66 19.734 0.608 -7.113 1.00 1.70 H new ATOM 2275 N LEU B 67 15.489 -0.776 -1.866 1.00 0.55 N ATOM 2276 CA LEU B 67 15.344 -0.206 -0.531 1.00 0.55 C ATOM 2277 C LEU B 67 14.830 -1.256 0.440 1.00 0.50 C ATOM 2278 O LEU B 67 15.315 -1.356 1.568 1.00 0.50 O ATOM 2279 CB LEU B 67 14.424 1.020 -0.517 1.00 0.57 C ATOM 2280 CG LEU B 67 13.245 1.001 -1.483 1.00 0.64 C ATOM 2281 CD1 LEU B 67 11.967 0.644 -0.747 1.00 0.97 C ATOM 2282 CD2 LEU B 67 13.103 2.351 -2.165 1.00 0.67 C ATOM 0 H LEU B 67 14.807 -0.448 -2.550 1.00 0.55 H new ATOM 0 HA LEU B 67 16.333 0.126 -0.216 1.00 0.55 H new ATOM 0 HB2 LEU B 67 14.034 1.142 0.494 1.00 0.57 H new ATOM 0 HB3 LEU B 67 15.028 1.901 -0.734 1.00 0.57 H new ATOM 0 HG LEU B 67 13.430 0.244 -2.245 1.00 0.64 H new ATOM 0 HD11 LEU B 67 11.133 0.634 -1.449 1.00 0.97 H new ATOM 0 HD12 LEU B 67 12.071 -0.342 -0.294 1.00 0.97 H new ATOM 0 HD13 LEU B 67 11.777 1.383 0.031 1.00 0.97 H new ATOM 0 HD21 LEU B 67 12.257 2.324 -2.852 1.00 0.67 H new ATOM 0 HD22 LEU B 67 12.935 3.122 -1.413 1.00 0.67 H new ATOM 0 HD23 LEU B 67 14.014 2.576 -2.719 1.00 0.67 H new ATOM 2294 N VAL B 68 13.915 -2.096 -0.037 1.00 0.48 N ATOM 2295 CA VAL B 68 13.418 -3.204 0.765 1.00 0.45 C ATOM 2296 C VAL B 68 14.555 -4.156 1.092 1.00 0.42 C ATOM 2297 O VAL B 68 14.668 -4.637 2.211 1.00 0.40 O ATOM 2298 CB VAL B 68 12.302 -4.001 0.054 1.00 0.46 C ATOM 2299 CG1 VAL B 68 11.652 -4.977 1.020 1.00 0.99 C ATOM 2300 CG2 VAL B 68 11.259 -3.071 -0.539 1.00 1.07 C ATOM 0 H VAL B 68 13.506 -2.029 -0.969 1.00 0.48 H new ATOM 0 HA VAL B 68 12.999 -2.769 1.672 1.00 0.45 H new ATOM 0 HB VAL B 68 12.756 -4.563 -0.762 1.00 0.46 H new ATOM 0 HG11 VAL B 68 10.868 -5.531 0.505 1.00 0.99 H new ATOM 0 HG12 VAL B 68 12.403 -5.673 1.394 1.00 0.99 H new ATOM 0 HG13 VAL B 68 11.219 -4.428 1.856 1.00 0.99 H new ATOM 0 HG21 VAL B 68 10.486 -3.659 -1.033 1.00 1.07 H new ATOM 0 HG22 VAL B 68 10.809 -2.475 0.255 1.00 1.07 H new ATOM 0 HG23 VAL B 68 11.732 -2.410 -1.265 1.00 1.07 H new ATOM 2310 N ASP B 69 15.418 -4.376 0.108 1.00 0.47 N ATOM 2311 CA ASP B 69 16.576 -5.250 0.266 1.00 0.49 C ATOM 2312 C ASP B 69 17.424 -4.837 1.453 1.00 0.48 C ATOM 2313 O ASP B 69 17.670 -5.634 2.359 1.00 0.49 O ATOM 2314 CB ASP B 69 17.440 -5.221 -0.990 1.00 0.60 C ATOM 2315 CG ASP B 69 17.288 -6.481 -1.821 1.00 0.84 C ATOM 2316 OD1 ASP B 69 16.640 -7.444 -1.354 1.00 1.09 O ATOM 2317 OD2 ASP B 69 17.827 -6.520 -2.945 1.00 1.46 O ATOM 0 H ASP B 69 15.337 -3.956 -0.818 1.00 0.47 H new ATOM 0 HA ASP B 69 16.199 -6.259 0.435 1.00 0.49 H new ATOM 0 HB2 ASP B 69 17.170 -4.355 -1.594 1.00 0.60 H new ATOM 0 HB3 ASP B 69 18.485 -5.099 -0.707 1.00 0.60 H new ATOM 2322 N ASN B 70 17.897 -3.599 1.422 1.00 0.55 N ATOM 2323 CA ASN B 70 18.772 -3.091 2.468 1.00 0.61 C ATOM 2324 C ASN B 70 18.121 -3.209 3.839 1.00 0.56 C ATOM 2325 O ASN B 70 18.691 -3.798 4.750 1.00 0.60 O ATOM 2326 CB ASN B 70 19.150 -1.633 2.201 1.00 0.74 C ATOM 2327 CG ASN B 70 20.372 -1.205 2.992 1.00 1.37 C ATOM 2328 OD1 ASN B 70 21.440 -1.809 2.887 1.00 1.88 O ATOM 2329 ND2 ASN B 70 20.226 -0.168 3.797 1.00 2.19 N ATOM 0 H ASN B 70 17.689 -2.928 0.683 1.00 0.55 H new ATOM 0 HA ASN B 70 19.676 -3.700 2.460 1.00 0.61 H new ATOM 0 HB2 ASN B 70 19.342 -1.498 1.137 1.00 0.74 H new ATOM 0 HB3 ASN B 70 18.309 -0.988 2.457 1.00 0.74 H new ATOM 0 HD21 ASN B 70 21.014 0.157 4.358 1.00 2.19 H new ATOM 0 HD22 ASN B 70 19.326 0.308 3.858 1.00 2.19 H new ATOM 2336 N TRP B 71 16.923 -2.659 3.975 1.00 0.54 N ATOM 2337 CA TRP B 71 16.223 -2.674 5.250 1.00 0.54 C ATOM 2338 C TRP B 71 15.934 -4.098 5.714 1.00 0.47 C ATOM 2339 O TRP B 71 16.227 -4.457 6.853 1.00 0.53 O ATOM 2340 CB TRP B 71 14.911 -1.890 5.153 1.00 0.57 C ATOM 2341 CG TRP B 71 14.216 -1.730 6.472 1.00 0.64 C ATOM 2342 CD1 TRP B 71 14.320 -0.668 7.323 1.00 0.81 C ATOM 2343 CD2 TRP B 71 13.311 -2.657 7.095 1.00 0.61 C ATOM 2344 NE1 TRP B 71 13.546 -0.877 8.437 1.00 0.86 N ATOM 2345 CE2 TRP B 71 12.915 -2.089 8.319 1.00 0.75 C ATOM 2346 CE3 TRP B 71 12.797 -3.911 6.735 1.00 0.53 C ATOM 2347 CZ2 TRP B 71 12.038 -2.731 9.186 1.00 0.80 C ATOM 2348 CZ3 TRP B 71 11.925 -4.544 7.598 1.00 0.62 C ATOM 2349 CH2 TRP B 71 11.551 -3.954 8.809 1.00 0.74 C ATOM 0 H TRP B 71 16.417 -2.198 3.219 1.00 0.54 H new ATOM 0 HA TRP B 71 16.875 -2.199 5.983 1.00 0.54 H new ATOM 0 HB2 TRP B 71 15.115 -0.904 4.736 1.00 0.57 H new ATOM 0 HB3 TRP B 71 14.243 -2.398 4.458 1.00 0.57 H new ATOM 0 HD1 TRP B 71 14.924 0.210 7.146 1.00 0.81 H new ATOM 0 HE1 TRP B 71 13.455 -0.235 9.225 1.00 0.86 H new ATOM 0 HE3 TRP B 71 13.078 -4.373 5.800 1.00 0.53 H new ATOM 0 HZ2 TRP B 71 11.751 -2.281 10.125 1.00 0.80 H new ATOM 0 HZ3 TRP B 71 11.525 -5.512 7.333 1.00 0.62 H new ATOM 0 HH2 TRP B 71 10.864 -4.473 9.461 1.00 0.74 H new ATOM 2360 N LEU B 72 15.257 -4.860 4.867 1.00 0.42 N ATOM 2361 CA LEU B 72 14.774 -6.188 5.226 1.00 0.44 C ATOM 2362 C LEU B 72 15.882 -7.073 5.779 1.00 0.55 C ATOM 2363 O LEU B 72 15.679 -7.802 6.750 1.00 0.65 O ATOM 2364 CB LEU B 72 14.138 -6.858 4.007 1.00 0.50 C ATOM 2365 CG LEU B 72 13.100 -7.925 4.325 1.00 0.47 C ATOM 2366 CD1 LEU B 72 11.725 -7.490 3.844 1.00 0.58 C ATOM 2367 CD2 LEU B 72 13.498 -9.251 3.690 1.00 0.60 C ATOM 0 H LEU B 72 15.027 -4.577 3.914 1.00 0.42 H new ATOM 0 HA LEU B 72 14.030 -6.062 6.012 1.00 0.44 H new ATOM 0 HB2 LEU B 72 13.670 -6.089 3.392 1.00 0.50 H new ATOM 0 HB3 LEU B 72 14.928 -7.309 3.406 1.00 0.50 H new ATOM 0 HG LEU B 72 13.056 -8.059 5.406 1.00 0.47 H new ATOM 0 HD11 LEU B 72 10.995 -8.265 4.080 1.00 0.58 H new ATOM 0 HD12 LEU B 72 11.442 -6.562 4.341 1.00 0.58 H new ATOM 0 HD13 LEU B 72 11.750 -7.331 2.766 1.00 0.58 H new ATOM 0 HD21 LEU B 72 12.748 -10.006 3.924 1.00 0.60 H new ATOM 0 HD22 LEU B 72 13.566 -9.131 2.609 1.00 0.60 H new ATOM 0 HD23 LEU B 72 14.465 -9.566 4.082 1.00 0.60 H new ATOM 2379 N LYS B 73 17.021 -7.074 5.108 1.00 0.63 N ATOM 2380 CA LYS B 73 18.099 -7.982 5.463 1.00 0.83 C ATOM 2381 C LYS B 73 19.046 -7.377 6.502 1.00 0.97 C ATOM 2382 O LYS B 73 19.779 -8.104 7.171 1.00 1.13 O ATOM 2383 CB LYS B 73 18.864 -8.388 4.201 1.00 0.96 C ATOM 2384 CG LYS B 73 17.963 -8.912 3.089 1.00 0.92 C ATOM 2385 CD LYS B 73 18.487 -8.530 1.714 1.00 1.16 C ATOM 2386 CE LYS B 73 18.582 -9.736 0.795 1.00 1.41 C ATOM 2387 NZ LYS B 73 17.506 -9.743 -0.233 1.00 1.79 N ATOM 0 H LYS B 73 17.223 -6.460 4.319 1.00 0.63 H new ATOM 0 HA LYS B 73 17.657 -8.867 5.920 1.00 0.83 H new ATOM 0 HB2 LYS B 73 19.422 -7.528 3.831 1.00 0.96 H new ATOM 0 HB3 LYS B 73 19.594 -9.155 4.459 1.00 0.96 H new ATOM 0 HG2 LYS B 73 17.889 -9.997 3.162 1.00 0.92 H new ATOM 0 HG3 LYS B 73 16.956 -8.514 3.218 1.00 0.92 H new ATOM 0 HD2 LYS B 73 17.830 -7.784 1.268 1.00 1.16 H new ATOM 0 HD3 LYS B 73 19.470 -8.070 1.814 1.00 1.16 H new ATOM 0 HE2 LYS B 73 19.554 -9.740 0.302 1.00 1.41 H new ATOM 0 HE3 LYS B 73 18.522 -10.649 1.388 1.00 1.41 H new ATOM 0 HZ1 LYS B 73 17.721 -10.459 -0.956 1.00 1.79 H new ATOM 0 HZ2 LYS B 73 16.597 -9.969 0.218 1.00 1.79 H new ATOM 0 HZ3 LYS B 73 17.447 -8.806 -0.680 1.00 1.79 H new ATOM 2401 N GLU B 74 19.059 -6.054 6.624 1.00 0.99 N ATOM 2402 CA GLU B 74 19.971 -5.395 7.558 1.00 1.22 C ATOM 2403 C GLU B 74 19.309 -5.064 8.893 1.00 1.27 C ATOM 2404 O GLU B 74 19.979 -5.040 9.925 1.00 1.50 O ATOM 2405 CB GLU B 74 20.543 -4.118 6.948 1.00 1.37 C ATOM 2406 CG GLU B 74 21.965 -4.271 6.444 1.00 1.81 C ATOM 2407 CD GLU B 74 22.962 -4.438 7.569 1.00 2.23 C ATOM 2408 OE1 GLU B 74 23.453 -3.414 8.091 1.00 2.51 O ATOM 2409 OE2 GLU B 74 23.249 -5.592 7.945 1.00 2.78 O ATOM 0 H GLU B 74 18.457 -5.422 6.096 1.00 0.99 H new ATOM 0 HA GLU B 74 20.775 -6.105 7.751 1.00 1.22 H new ATOM 0 HB2 GLU B 74 19.905 -3.802 6.122 1.00 1.37 H new ATOM 0 HB3 GLU B 74 20.514 -3.324 7.694 1.00 1.37 H new ATOM 0 HG2 GLU B 74 22.021 -5.135 5.781 1.00 1.81 H new ATOM 0 HG3 GLU B 74 22.233 -3.396 5.851 1.00 1.81 H new ATOM 2416 N ASN B 75 18.033 -4.691 8.863 1.00 1.11 N ATOM 2417 CA ASN B 75 17.346 -4.221 10.071 1.00 1.21 C ATOM 2418 C ASN B 75 16.856 -5.380 10.920 1.00 1.14 C ATOM 2419 O ASN B 75 16.705 -5.253 12.135 1.00 1.29 O ATOM 2420 CB ASN B 75 16.168 -3.315 9.708 1.00 1.28 C ATOM 2421 CG ASN B 75 15.937 -2.238 10.749 1.00 1.61 C ATOM 2422 OD1 ASN B 75 15.097 -2.379 11.641 1.00 1.88 O ATOM 2423 ND2 ASN B 75 16.679 -1.149 10.641 1.00 1.97 N ATOM 0 H ASN B 75 17.453 -4.703 8.024 1.00 1.11 H new ATOM 0 HA ASN B 75 18.070 -3.651 10.653 1.00 1.21 H new ATOM 0 HB2 ASN B 75 16.354 -2.849 8.740 1.00 1.28 H new ATOM 0 HB3 ASN B 75 15.266 -3.918 9.604 1.00 1.28 H new ATOM 0 HD21 ASN B 75 16.567 -0.387 11.310 1.00 1.97 H new ATOM 0 HD22 ASN B 75 17.363 -1.071 9.889 1.00 1.97 H new ATOM 2430 N GLU B 76 16.620 -6.512 10.282 1.00 1.01 N ATOM 2431 CA GLU B 76 16.159 -7.696 10.987 1.00 1.08 C ATOM 2432 C GLU B 76 17.345 -8.457 11.577 1.00 1.38 C ATOM 2433 O GLU B 76 17.197 -9.049 12.667 1.00 1.93 O ATOM 2434 CB GLU B 76 15.368 -8.592 10.041 1.00 1.36 C ATOM 2435 CG GLU B 76 13.918 -8.770 10.456 1.00 1.88 C ATOM 2436 CD GLU B 76 13.635 -10.148 11.018 1.00 2.20 C ATOM 2437 OE1 GLU B 76 13.812 -11.142 10.281 1.00 2.52 O ATOM 2438 OE2 GLU B 76 13.221 -10.245 12.193 1.00 2.67 O ATOM 2439 OXT GLU B 76 18.430 -8.441 10.956 1.00 1.90 O ATOM 0 H GLU B 76 16.740 -6.637 9.277 1.00 1.01 H new ATOM 0 HA GLU B 76 15.507 -7.388 11.804 1.00 1.08 H new ATOM 0 HB2 GLU B 76 15.402 -8.169 9.037 1.00 1.36 H new ATOM 0 HB3 GLU B 76 15.847 -9.570 9.991 1.00 1.36 H new ATOM 0 HG2 GLU B 76 13.663 -8.018 11.203 1.00 1.88 H new ATOM 0 HG3 GLU B 76 13.274 -8.594 9.595 1.00 1.88 H new TER 2446 GLU B 76