USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 978 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 MET CE :methyl -129:sc= -0.492 (180deg=-0.338) USER MOD Set 1.2: A 43 MET CE :methyl -131:sc= -0.045 (180deg=-0.0938) USER MOD Set 2.1: A 30 SER OG : rot -72:sc= 0.762 USER MOD Set 2.2: A 31 THR OG1 : rot 180:sc= -0.699 USER MOD Set 3.1: A 1 MET CE :methyl -179:sc= -0.195 (180deg=-0.199) USER MOD Set 3.2: A 5 SER OG : rot -100:sc= 0.323 USER MOD Set 3.3: A 88 SER OG : rot 148:sc= 0.375 USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0572 (180deg=-0.0572) USER MOD Single : A 4 GLN : amide:sc= 0.0982 X(o=0.098,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.544 X(o=-0.54,f=-0.55) USER MOD Single : A 11 LYS NZ :NH3+ -127:sc= 1.51 (180deg=-0.826) USER MOD Single : A 12 SER OG : rot -80:sc= 0.875 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 1:sc= 0.925 USER MOD Single : A 33 ASN : amide:sc= -0.0116 K(o=-0.012,f=-0.94) USER MOD Single : A 36 HIS : +bothHN:sc= 1.45 K(o=1.4,f=-5.8!) USER MOD Single : A 38 MET CE :methyl -164:sc= -0.385 (180deg=-0.914) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 80:sc= 0.825 USER MOD Single : A 55 SER OG : rot 91:sc= 0.441 USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= 0.745 (180deg=0.534) USER MOD Single : A 59 SER OG : rot -51:sc= 0.703 USER MOD Single : A 63 TYR OH : rot -96:sc= 0.433 USER MOD Single : A 65 TYR OH : rot 108:sc= 2.03 USER MOD Single : A 71 GLN : amide:sc= -1.23! C(o=-1.2!,f=-5.1!) USER MOD Single : A 72 THR OG1 : rot 71:sc= 1.89 USER MOD Single : A 73 SER OG : rot 72:sc= 0.051 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.017 F(o=-1.1,f=-0.017) USER MOD Single : A 77 ASN : amide:sc=-0.00293 K(o=-0.0029,f=-0.77) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -0.636 K(o=-0.64,f=-2.9!) USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= 0.994 (180deg=0.845) USER MOD Single : A 98 LYS NZ :NH3+ 168:sc= 0.813 (180deg=0.665) USER MOD Single : A 104 THR OG1 : rot 161:sc= 0.00953 USER MOD Single : A 110 SER OG : rot 7:sc= 0.699 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0165 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.252 K(o=-0.25,f=-3.6!) USER MOD Single : A 123 SER OG : rot -46:sc= 0.501 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.0673 X(o=-0.067,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.167 1.546 14.219 1.00 45.51 N ATOM 2 CA MET A 1 -3.182 0.440 14.052 1.00 45.31 C ATOM 3 C MET A 1 -1.738 0.959 14.128 1.00 54.54 C ATOM 4 O MET A 1 -1.504 2.167 14.183 1.00 70.43 O ATOM 5 CB MET A 1 -3.419 -0.288 12.721 1.00 42.21 C ATOM 6 CG MET A 1 -3.268 0.595 11.492 1.00 62.22 C ATOM 7 SD MET A 1 -3.525 -0.312 9.955 1.00 74.10 S ATOM 8 CE MET A 1 -3.355 1.007 8.759 1.00 24.04 C ATOM 0 H1 MET A 1 -4.908 1.463 13.494 1.00 45.51 H new ATOM 0 H2 MET A 1 -4.598 1.487 15.164 1.00 45.51 H new ATOM 0 H3 MET A 1 -3.683 2.461 14.116 1.00 45.51 H new ATOM 0 HA MET A 1 -3.327 -0.264 14.872 1.00 45.31 H new ATOM 0 HB2 MET A 1 -2.719 -1.120 12.645 1.00 42.21 H new ATOM 0 HB3 MET A 1 -4.422 -0.715 12.727 1.00 42.21 H new ATOM 0 HG2 MET A 1 -3.982 1.417 11.549 1.00 62.22 H new ATOM 0 HG3 MET A 1 -2.272 1.038 11.487 1.00 62.22 H new ATOM 0 HE1 MET A 1 -3.506 0.610 7.755 1.00 24.04 H new ATOM 0 HE2 MET A 1 -4.099 1.778 8.959 1.00 24.04 H new ATOM 0 HE3 MET A 1 -2.357 1.438 8.832 1.00 24.04 H new ATOM 20 N GLU A 2 -0.775 0.038 14.128 1.00 0.14 N ATOM 21 CA GLU A 2 0.648 0.391 14.236 1.00 44.41 C ATOM 22 C GLU A 2 1.157 1.124 12.981 1.00 51.25 C ATOM 23 O GLU A 2 0.632 0.934 11.884 1.00 20.05 O ATOM 24 CB GLU A 2 1.481 -0.877 14.457 1.00 1.04 C ATOM 25 CG GLU A 2 1.140 -1.630 15.738 1.00 44.14 C ATOM 26 CD GLU A 2 1.878 -2.954 15.845 1.00 54.51 C ATOM 27 OE1 GLU A 2 3.089 -2.944 16.141 1.00 64.41 O ATOM 28 OE2 GLU A 2 1.254 -4.010 15.616 1.00 20.30 O ATOM 0 H GLU A 2 -0.951 -0.964 14.054 1.00 0.14 H new ATOM 0 HA GLU A 2 0.755 1.066 15.085 1.00 44.41 H new ATOM 0 HB2 GLU A 2 1.339 -1.545 13.607 1.00 1.04 H new ATOM 0 HB3 GLU A 2 2.537 -0.606 14.477 1.00 1.04 H new ATOM 0 HG2 GLU A 2 1.388 -1.008 16.599 1.00 44.14 H new ATOM 0 HG3 GLU A 2 0.066 -1.812 15.775 1.00 44.14 H new ATOM 35 N PRO A 3 2.199 1.972 13.131 1.00 45.53 N ATOM 36 CA PRO A 3 2.826 2.680 11.995 1.00 71.14 C ATOM 37 C PRO A 3 3.371 1.729 10.915 1.00 44.40 C ATOM 38 O PRO A 3 3.466 2.097 9.743 1.00 63.22 O ATOM 39 CB PRO A 3 3.986 3.452 12.647 1.00 41.10 C ATOM 40 CG PRO A 3 3.604 3.578 14.083 1.00 32.25 C ATOM 41 CD PRO A 3 2.835 2.327 14.415 1.00 62.20 C ATOM 0 HA PRO A 3 2.103 3.309 11.476 1.00 71.14 H new ATOM 0 HB2 PRO A 3 4.929 2.917 12.535 1.00 41.10 H new ATOM 0 HB3 PRO A 3 4.118 4.431 12.186 1.00 41.10 H new ATOM 0 HG2 PRO A 3 4.487 3.674 14.715 1.00 32.25 H new ATOM 0 HG3 PRO A 3 2.995 4.467 14.249 1.00 32.25 H new ATOM 0 HD2 PRO A 3 3.491 1.534 14.772 1.00 62.20 H new ATOM 0 HD3 PRO A 3 2.095 2.504 15.196 1.00 62.20 H new ATOM 49 N GLN A 4 3.744 0.514 11.318 1.00 21.11 N ATOM 50 CA GLN A 4 4.321 -0.472 10.393 1.00 3.12 C ATOM 51 C GLN A 4 3.564 -1.811 10.440 1.00 41.25 C ATOM 52 O GLN A 4 3.141 -2.267 11.507 1.00 52.55 O ATOM 53 CB GLN A 4 5.802 -0.700 10.728 1.00 63.50 C ATOM 54 CG GLN A 4 6.599 0.593 10.868 1.00 52.22 C ATOM 55 CD GLN A 4 8.073 0.359 11.133 1.00 21.24 C ATOM 56 OE1 GLN A 4 8.508 0.262 12.277 1.00 63.21 O ATOM 57 NE2 GLN A 4 8.855 0.275 10.081 1.00 22.11 N ATOM 0 H GLN A 4 3.658 0.185 12.280 1.00 21.11 H new ATOM 0 HA GLN A 4 4.229 -0.072 9.383 1.00 3.12 H new ATOM 0 HB2 GLN A 4 5.874 -1.264 11.658 1.00 63.50 H new ATOM 0 HB3 GLN A 4 6.253 -1.313 9.948 1.00 63.50 H new ATOM 0 HG2 GLN A 4 6.489 1.181 9.957 1.00 52.22 H new ATOM 0 HG3 GLN A 4 6.179 1.185 11.682 1.00 52.22 H new ATOM 0 HE21 GLN A 4 8.461 0.360 9.144 1.00 22.11 H new ATOM 0 HE22 GLN A 4 9.857 0.125 10.201 1.00 22.11 H new ATOM 66 N SER A 5 3.406 -2.434 9.274 1.00 34.21 N ATOM 67 CA SER A 5 2.718 -3.729 9.155 1.00 43.55 C ATOM 68 C SER A 5 3.563 -4.728 8.354 1.00 11.23 C ATOM 69 O SER A 5 4.078 -4.400 7.285 1.00 13.54 O ATOM 70 CB SER A 5 1.351 -3.557 8.468 1.00 22.43 C ATOM 71 OG SER A 5 0.489 -2.712 9.219 1.00 63.13 O ATOM 0 H SER A 5 3.747 -2.063 8.387 1.00 34.21 H new ATOM 0 HA SER A 5 2.570 -4.116 10.163 1.00 43.55 H new ATOM 0 HB2 SER A 5 1.494 -3.138 7.472 1.00 22.43 H new ATOM 0 HB3 SER A 5 0.883 -4.533 8.339 1.00 22.43 H new ATOM 0 HG SER A 5 -0.142 -3.260 9.730 1.00 63.13 H new ATOM 77 N ASP A 6 3.699 -5.947 8.873 1.00 3.32 N ATOM 78 CA ASP A 6 4.454 -7.004 8.190 1.00 61.21 C ATOM 79 C ASP A 6 3.643 -7.593 7.019 1.00 15.41 C ATOM 80 O ASP A 6 2.407 -7.579 7.031 1.00 14.41 O ATOM 81 CB ASP A 6 4.827 -8.108 9.190 1.00 50.31 C ATOM 82 CG ASP A 6 5.790 -9.134 8.612 1.00 62.20 C ATOM 83 OD1 ASP A 6 5.369 -9.938 7.753 1.00 42.33 O ATOM 84 OD2 ASP A 6 6.973 -9.139 9.017 1.00 2.15 O ATOM 0 H ASP A 6 3.296 -6.231 9.766 1.00 3.32 H new ATOM 0 HA ASP A 6 5.366 -6.569 7.782 1.00 61.21 H new ATOM 0 HB2 ASP A 6 5.276 -7.654 10.073 1.00 50.31 H new ATOM 0 HB3 ASP A 6 3.919 -8.615 9.519 1.00 50.31 H new ATOM 89 N ALA A 7 4.349 -8.134 6.028 1.00 33.35 N ATOM 90 CA ALA A 7 3.719 -8.658 4.813 1.00 21.03 C ATOM 91 C ALA A 7 2.762 -9.831 5.097 1.00 43.42 C ATOM 92 O ALA A 7 1.605 -9.807 4.676 1.00 11.12 O ATOM 93 CB ALA A 7 4.791 -9.079 3.815 1.00 73.34 C ATOM 0 H ALA A 7 5.365 -8.222 6.041 1.00 33.35 H new ATOM 0 HA ALA A 7 3.115 -7.855 4.390 1.00 21.03 H new ATOM 0 HB1 ALA A 7 4.317 -9.468 2.914 1.00 73.34 H new ATOM 0 HB2 ALA A 7 5.407 -8.217 3.558 1.00 73.34 H new ATOM 0 HB3 ALA A 7 5.417 -9.853 4.258 1.00 73.34 H new ATOM 99 N HIS A 8 3.232 -10.858 5.817 1.00 55.43 N ATOM 100 CA HIS A 8 2.376 -12.022 6.113 1.00 14.32 C ATOM 101 C HIS A 8 1.322 -11.706 7.179 1.00 10.11 C ATOM 102 O HIS A 8 0.271 -12.346 7.226 1.00 1.03 O ATOM 103 CB HIS A 8 3.181 -13.287 6.477 1.00 55.50 C ATOM 104 CG HIS A 8 4.444 -13.047 7.242 1.00 62.13 C ATOM 105 ND1 HIS A 8 5.688 -13.208 6.679 1.00 12.23 N ATOM 106 CD2 HIS A 8 4.661 -12.685 8.527 1.00 65.41 C ATOM 107 CE1 HIS A 8 6.613 -12.960 7.574 1.00 75.31 C ATOM 108 NE2 HIS A 8 6.022 -12.639 8.706 1.00 60.33 N ATOM 0 H HIS A 8 4.176 -10.911 6.199 1.00 55.43 H new ATOM 0 HA HIS A 8 1.850 -12.245 5.185 1.00 14.32 H new ATOM 0 HB2 HIS A 8 2.542 -13.948 7.063 1.00 55.50 H new ATOM 0 HB3 HIS A 8 3.429 -13.816 5.557 1.00 55.50 H new ATOM 0 HD2 HIS A 8 3.907 -12.473 9.271 1.00 65.41 H new ATOM 0 HE1 HIS A 8 7.679 -13.010 7.411 1.00 75.31 H new ATOM 0 HE2 HIS A 8 6.498 -12.396 9.575 1.00 60.33 H new ATOM 117 N VAL A 9 1.601 -10.731 8.040 1.00 10.43 N ATOM 118 CA VAL A 9 0.587 -10.239 8.977 1.00 22.24 C ATOM 119 C VAL A 9 -0.625 -9.683 8.210 1.00 74.22 C ATOM 120 O VAL A 9 -1.769 -10.022 8.510 1.00 3.42 O ATOM 121 CB VAL A 9 1.152 -9.146 9.925 1.00 23.32 C ATOM 122 CG1 VAL A 9 0.042 -8.509 10.761 1.00 24.32 C ATOM 123 CG2 VAL A 9 2.237 -9.730 10.831 1.00 74.34 C ATOM 0 H VAL A 9 2.508 -10.269 8.111 1.00 10.43 H new ATOM 0 HA VAL A 9 0.276 -11.086 9.589 1.00 22.24 H new ATOM 0 HB VAL A 9 1.596 -8.365 9.308 1.00 23.32 H new ATOM 0 HG11 VAL A 9 0.469 -7.748 11.414 1.00 24.32 H new ATOM 0 HG12 VAL A 9 -0.693 -8.049 10.100 1.00 24.32 H new ATOM 0 HG13 VAL A 9 -0.443 -9.275 11.366 1.00 24.32 H new ATOM 0 HG21 VAL A 9 2.621 -8.950 11.488 1.00 74.34 H new ATOM 0 HG22 VAL A 9 1.815 -10.535 11.432 1.00 74.34 H new ATOM 0 HG23 VAL A 9 3.050 -10.122 10.219 1.00 74.34 H new ATOM 133 N LEU A 10 -0.364 -8.848 7.201 1.00 40.22 N ATOM 134 CA LEU A 10 -1.429 -8.303 6.351 1.00 4.02 C ATOM 135 C LEU A 10 -2.062 -9.398 5.471 1.00 3.43 C ATOM 136 O LEU A 10 -3.282 -9.507 5.386 1.00 33.33 O ATOM 137 CB LEU A 10 -0.878 -7.172 5.468 1.00 22.11 C ATOM 138 CG LEU A 10 -1.900 -6.510 4.525 1.00 35.01 C ATOM 139 CD1 LEU A 10 -3.057 -5.905 5.314 1.00 22.24 C ATOM 140 CD2 LEU A 10 -1.224 -5.452 3.651 1.00 11.32 C ATOM 0 H LEU A 10 0.574 -8.534 6.952 1.00 40.22 H new ATOM 0 HA LEU A 10 -2.205 -7.904 7.004 1.00 4.02 H new ATOM 0 HB2 LEU A 10 -0.455 -6.403 6.114 1.00 22.11 H new ATOM 0 HB3 LEU A 10 -0.060 -7.569 4.867 1.00 22.11 H new ATOM 0 HG LEU A 10 -2.307 -7.281 3.871 1.00 35.01 H new ATOM 0 HD11 LEU A 10 -3.765 -5.444 4.626 1.00 22.24 H new ATOM 0 HD12 LEU A 10 -3.560 -6.689 5.881 1.00 22.24 H new ATOM 0 HD13 LEU A 10 -2.674 -5.150 6.000 1.00 22.24 H new ATOM 0 HD21 LEU A 10 -1.964 -4.997 2.993 1.00 11.32 H new ATOM 0 HD22 LEU A 10 -0.782 -4.684 4.286 1.00 11.32 H new ATOM 0 HD23 LEU A 10 -0.444 -5.920 3.051 1.00 11.32 H new ATOM 152 N LYS A 11 -1.219 -10.209 4.830 1.00 23.44 N ATOM 153 CA LYS A 11 -1.687 -11.292 3.947 1.00 43.33 C ATOM 154 C LYS A 11 -2.648 -12.255 4.667 1.00 3.32 C ATOM 155 O LYS A 11 -3.719 -12.582 4.152 1.00 42.15 O ATOM 156 CB LYS A 11 -0.488 -12.072 3.390 1.00 73.22 C ATOM 157 CG LYS A 11 -0.874 -13.271 2.528 1.00 32.33 C ATOM 158 CD LYS A 11 0.338 -14.131 2.171 1.00 42.40 C ATOM 159 CE LYS A 11 -0.084 -15.495 1.639 1.00 0.21 C ATOM 160 NZ LYS A 11 1.065 -16.433 1.530 1.00 62.24 N ATOM 0 H LYS A 11 -0.204 -10.140 4.903 1.00 23.44 H new ATOM 0 HA LYS A 11 -2.238 -10.829 3.129 1.00 43.33 H new ATOM 0 HB2 LYS A 11 0.129 -11.396 2.798 1.00 73.22 H new ATOM 0 HB3 LYS A 11 0.126 -12.418 4.222 1.00 73.22 H new ATOM 0 HG2 LYS A 11 -1.607 -13.879 3.059 1.00 32.33 H new ATOM 0 HG3 LYS A 11 -1.353 -12.921 1.613 1.00 32.33 H new ATOM 0 HD2 LYS A 11 0.942 -13.618 1.422 1.00 42.40 H new ATOM 0 HD3 LYS A 11 0.966 -14.261 3.053 1.00 42.40 H new ATOM 0 HE2 LYS A 11 -0.839 -15.923 2.298 1.00 0.21 H new ATOM 0 HE3 LYS A 11 -0.547 -15.374 0.660 1.00 0.21 H new ATOM 0 HZ1 LYS A 11 1.102 -16.826 0.568 1.00 62.24 H new ATOM 0 HZ2 LYS A 11 1.949 -15.924 1.731 1.00 62.24 H new ATOM 0 HZ3 LYS A 11 0.948 -17.207 2.215 1.00 62.24 H new ATOM 174 N SER A 12 -2.273 -12.689 5.867 1.00 55.31 N ATOM 175 CA SER A 12 -3.098 -13.636 6.636 1.00 2.05 C ATOM 176 C SER A 12 -4.327 -12.925 7.186 1.00 32.34 C ATOM 177 O SER A 12 -5.413 -13.481 7.233 1.00 52.22 O ATOM 178 CB SER A 12 -2.305 -14.261 7.791 1.00 14.33 C ATOM 179 OG SER A 12 -1.912 -13.276 8.737 1.00 35.02 O ATOM 0 H SER A 12 -1.410 -12.406 6.332 1.00 55.31 H new ATOM 0 HA SER A 12 -3.405 -14.436 5.962 1.00 2.05 H new ATOM 0 HB2 SER A 12 -2.912 -15.020 8.284 1.00 14.33 H new ATOM 0 HB3 SER A 12 -1.422 -14.765 7.398 1.00 14.33 H new ATOM 0 HG SER A 12 -1.123 -12.799 8.404 1.00 35.02 H new ATOM 185 N ARG A 13 -4.140 -11.684 7.596 1.00 70.12 N ATOM 186 CA ARG A 13 -5.243 -10.830 8.025 1.00 44.13 C ATOM 187 C ARG A 13 -6.227 -10.561 6.868 1.00 32.42 C ATOM 188 O ARG A 13 -7.410 -10.306 7.092 1.00 33.54 O ATOM 189 CB ARG A 13 -4.663 -9.530 8.609 1.00 64.21 C ATOM 190 CG ARG A 13 -5.580 -8.320 8.557 1.00 73.35 C ATOM 191 CD ARG A 13 -5.026 -7.176 9.404 1.00 2.12 C ATOM 192 NE ARG A 13 -5.842 -5.965 9.332 1.00 22.44 N ATOM 193 CZ ARG A 13 -6.972 -5.797 9.963 1.00 12.35 C ATOM 194 NH1 ARG A 13 -7.484 -6.751 10.676 1.00 1.33 N ATOM 195 NH2 ARG A 13 -7.589 -4.664 9.884 1.00 70.31 N ATOM 0 H ARG A 13 -3.224 -11.237 7.643 1.00 70.12 H new ATOM 0 HA ARG A 13 -5.820 -11.336 8.799 1.00 44.13 H new ATOM 0 HB2 ARG A 13 -4.388 -9.711 9.648 1.00 64.21 H new ATOM 0 HB3 ARG A 13 -3.744 -9.290 8.073 1.00 64.21 H new ATOM 0 HG2 ARG A 13 -5.694 -7.990 7.524 1.00 73.35 H new ATOM 0 HG3 ARG A 13 -6.572 -8.595 8.916 1.00 73.35 H new ATOM 0 HD2 ARG A 13 -4.958 -7.500 10.442 1.00 2.12 H new ATOM 0 HD3 ARG A 13 -4.013 -6.945 9.075 1.00 2.12 H new ATOM 0 HE ARG A 13 -5.505 -5.199 8.749 1.00 22.44 H new ATOM 0 HH11 ARG A 13 -7.003 -7.647 10.749 1.00 1.33 H new ATOM 0 HH12 ARG A 13 -8.368 -6.605 11.164 1.00 1.33 H new ATOM 0 HH21 ARG A 13 -7.193 -3.905 9.330 1.00 70.31 H new ATOM 0 HH22 ARG A 13 -8.472 -4.529 10.376 1.00 70.31 H new ATOM 209 N LEU A 14 -5.728 -10.613 5.634 1.00 23.14 N ATOM 210 CA LEU A 14 -6.573 -10.470 4.445 1.00 42.33 C ATOM 211 C LEU A 14 -7.339 -11.776 4.138 1.00 70.20 C ATOM 212 O LEU A 14 -8.570 -11.785 4.074 1.00 13.10 O ATOM 213 CB LEU A 14 -5.696 -10.062 3.241 1.00 74.03 C ATOM 214 CG LEU A 14 -6.382 -9.193 2.171 1.00 64.44 C ATOM 215 CD1 LEU A 14 -5.386 -8.771 1.094 1.00 72.43 C ATOM 216 CD2 LEU A 14 -7.577 -9.911 1.541 1.00 33.33 C ATOM 0 H LEU A 14 -4.739 -10.754 5.429 1.00 23.14 H new ATOM 0 HA LEU A 14 -7.314 -9.694 4.636 1.00 42.33 H new ATOM 0 HB2 LEU A 14 -4.826 -9.522 3.616 1.00 74.03 H new ATOM 0 HB3 LEU A 14 -5.326 -10.969 2.762 1.00 74.03 H new ATOM 0 HG LEU A 14 -6.756 -8.299 2.670 1.00 64.44 H new ATOM 0 HD11 LEU A 14 -5.894 -8.158 0.349 1.00 72.43 H new ATOM 0 HD12 LEU A 14 -4.580 -8.196 1.549 1.00 72.43 H new ATOM 0 HD13 LEU A 14 -4.972 -9.658 0.613 1.00 72.43 H new ATOM 0 HD21 LEU A 14 -8.035 -9.266 0.791 1.00 33.33 H new ATOM 0 HD22 LEU A 14 -7.240 -10.834 1.069 1.00 33.33 H new ATOM 0 HD23 LEU A 14 -8.309 -10.145 2.314 1.00 33.33 H new ATOM 228 N GLU A 15 -6.601 -12.879 3.958 1.00 24.30 N ATOM 229 CA GLU A 15 -7.201 -14.163 3.548 1.00 14.45 C ATOM 230 C GLU A 15 -7.844 -14.918 4.731 1.00 61.43 C ATOM 231 O GLU A 15 -8.909 -15.524 4.595 1.00 44.51 O ATOM 232 CB GLU A 15 -6.141 -15.058 2.873 1.00 71.22 C ATOM 233 CG GLU A 15 -5.460 -14.421 1.659 1.00 14.53 C ATOM 234 CD GLU A 15 -4.571 -15.399 0.893 1.00 60.11 C ATOM 235 OE1 GLU A 15 -3.437 -15.669 1.343 1.00 41.33 O ATOM 236 OE2 GLU A 15 -5.010 -15.914 -0.160 1.00 14.35 O ATOM 0 H GLU A 15 -5.590 -12.912 4.088 1.00 24.30 H new ATOM 0 HA GLU A 15 -7.994 -13.930 2.837 1.00 14.45 H new ATOM 0 HB2 GLU A 15 -5.379 -15.317 3.608 1.00 71.22 H new ATOM 0 HB3 GLU A 15 -6.614 -15.990 2.563 1.00 71.22 H new ATOM 0 HG2 GLU A 15 -6.222 -14.028 0.986 1.00 14.53 H new ATOM 0 HG3 GLU A 15 -4.859 -13.574 1.989 1.00 14.53 H new ATOM 243 N TRP A 16 -7.183 -14.885 5.886 1.00 32.43 N ATOM 244 CA TRP A 16 -7.646 -15.607 7.087 1.00 61.34 C ATOM 245 C TRP A 16 -8.261 -14.668 8.140 1.00 31.50 C ATOM 246 O TRP A 16 -8.831 -15.127 9.134 1.00 23.03 O ATOM 247 CB TRP A 16 -6.469 -16.361 7.722 1.00 55.41 C ATOM 248 CG TRP A 16 -5.898 -17.446 6.855 1.00 51.43 C ATOM 249 CD1 TRP A 16 -5.014 -17.299 5.826 1.00 22.14 C ATOM 250 CD2 TRP A 16 -6.164 -18.848 6.955 1.00 62.15 C ATOM 251 NE1 TRP A 16 -4.724 -18.521 5.277 1.00 34.20 N ATOM 252 CE2 TRP A 16 -5.420 -19.488 5.948 1.00 25.51 C ATOM 253 CE3 TRP A 16 -6.967 -19.621 7.794 1.00 54.32 C ATOM 254 CZ2 TRP A 16 -5.453 -20.868 5.762 1.00 71.53 C ATOM 255 CZ3 TRP A 16 -7.000 -20.989 7.609 1.00 33.13 C ATOM 256 CH2 TRP A 16 -6.248 -21.600 6.597 1.00 61.40 C ATOM 0 H TRP A 16 -6.317 -14.364 6.024 1.00 32.43 H new ATOM 0 HA TRP A 16 -8.422 -16.300 6.763 1.00 61.34 H new ATOM 0 HB2 TRP A 16 -5.680 -15.648 7.960 1.00 55.41 H new ATOM 0 HB3 TRP A 16 -6.798 -16.799 8.665 1.00 55.41 H new ATOM 0 HD1 TRP A 16 -4.603 -16.357 5.493 1.00 22.14 H new ATOM 0 HE1 TRP A 16 -4.091 -18.683 4.494 1.00 34.20 H new ATOM 0 HE3 TRP A 16 -7.552 -19.158 8.574 1.00 54.32 H new ATOM 0 HZ2 TRP A 16 -4.871 -21.342 4.986 1.00 71.53 H new ATOM 0 HZ3 TRP A 16 -7.615 -21.598 8.255 1.00 33.13 H new ATOM 0 HH2 TRP A 16 -6.298 -22.672 6.475 1.00 61.40 H new ATOM 267 N GLY A 17 -8.129 -13.361 7.935 1.00 74.02 N ATOM 268 CA GLY A 17 -8.547 -12.398 8.951 1.00 14.01 C ATOM 269 C GLY A 17 -9.919 -11.781 8.704 1.00 53.32 C ATOM 270 O GLY A 17 -10.947 -12.458 8.805 1.00 35.11 O ATOM 0 H GLY A 17 -7.741 -12.947 7.087 1.00 74.02 H new ATOM 0 HA2 GLY A 17 -8.553 -12.892 9.922 1.00 14.01 H new ATOM 0 HA3 GLY A 17 -7.807 -11.600 9.004 1.00 14.01 H new ATOM 274 N GLU A 18 -9.937 -10.486 8.391 1.00 1.12 N ATOM 275 CA GLU A 18 -11.190 -9.730 8.271 1.00 5.22 C ATOM 276 C GLU A 18 -11.056 -8.552 7.289 1.00 32.42 C ATOM 277 O GLU A 18 -10.447 -7.529 7.611 1.00 21.21 O ATOM 278 CB GLU A 18 -11.603 -9.211 9.657 1.00 44.21 C ATOM 279 CG GLU A 18 -12.828 -8.304 9.655 1.00 1.22 C ATOM 280 CD GLU A 18 -13.185 -7.802 11.044 1.00 23.32 C ATOM 281 OE1 GLU A 18 -12.533 -6.852 11.528 1.00 14.12 O ATOM 282 OE2 GLU A 18 -14.115 -8.359 11.664 1.00 75.04 O ATOM 0 H GLU A 18 -9.097 -9.934 8.215 1.00 1.12 H new ATOM 0 HA GLU A 18 -11.955 -10.400 7.877 1.00 5.22 H new ATOM 0 HB2 GLU A 18 -11.800 -10.064 10.306 1.00 44.21 H new ATOM 0 HB3 GLU A 18 -10.765 -8.667 10.091 1.00 44.21 H new ATOM 0 HG2 GLU A 18 -12.644 -7.452 9.001 1.00 1.22 H new ATOM 0 HG3 GLU A 18 -13.677 -8.847 9.239 1.00 1.22 H new ATOM 289 N PRO A 19 -11.615 -8.681 6.068 1.00 4.31 N ATOM 290 CA PRO A 19 -11.601 -7.597 5.067 1.00 31.03 C ATOM 291 C PRO A 19 -12.439 -6.375 5.493 1.00 32.02 C ATOM 292 O PRO A 19 -13.674 -6.406 5.458 1.00 63.41 O ATOM 293 CB PRO A 19 -12.192 -8.258 3.802 1.00 51.41 C ATOM 294 CG PRO A 19 -12.132 -9.728 4.063 1.00 4.22 C ATOM 295 CD PRO A 19 -12.278 -9.888 5.550 1.00 44.42 C ATOM 0 HA PRO A 19 -10.596 -7.200 4.921 1.00 31.03 H new ATOM 0 HB2 PRO A 19 -13.217 -7.930 3.629 1.00 51.41 H new ATOM 0 HB3 PRO A 19 -11.618 -7.992 2.914 1.00 51.41 H new ATOM 0 HG2 PRO A 19 -12.928 -10.252 3.534 1.00 4.22 H new ATOM 0 HG3 PRO A 19 -11.188 -10.148 3.716 1.00 4.22 H new ATOM 0 HD2 PRO A 19 -13.324 -9.937 5.852 1.00 44.42 H new ATOM 0 HD3 PRO A 19 -11.799 -10.799 5.909 1.00 44.42 H new ATOM 303 N ALA A 20 -11.751 -5.320 5.932 1.00 53.24 N ATOM 304 CA ALA A 20 -12.389 -4.045 6.300 1.00 50.05 C ATOM 305 C ALA A 20 -11.390 -2.881 6.192 1.00 41.51 C ATOM 306 O ALA A 20 -11.607 -1.794 6.732 1.00 70.24 O ATOM 307 CB ALA A 20 -12.951 -4.131 7.716 1.00 4.13 C ATOM 0 H ALA A 20 -10.737 -5.320 6.044 1.00 53.24 H new ATOM 0 HA ALA A 20 -13.207 -3.856 5.605 1.00 50.05 H new ATOM 0 HB1 ALA A 20 -13.421 -3.183 7.979 1.00 4.13 H new ATOM 0 HB2 ALA A 20 -13.692 -4.929 7.766 1.00 4.13 H new ATOM 0 HB3 ALA A 20 -12.143 -4.342 8.416 1.00 4.13 H new ATOM 313 N PHE A 21 -10.307 -3.113 5.455 1.00 60.31 N ATOM 314 CA PHE A 21 -9.189 -2.169 5.375 1.00 54.25 C ATOM 315 C PHE A 21 -8.801 -1.859 3.920 1.00 1.35 C ATOM 316 O PHE A 21 -9.104 -2.625 3.000 1.00 71.22 O ATOM 317 CB PHE A 21 -7.987 -2.733 6.144 1.00 63.24 C ATOM 318 CG PHE A 21 -7.638 -4.161 5.779 1.00 22.43 C ATOM 319 CD1 PHE A 21 -6.782 -4.438 4.722 1.00 64.04 C ATOM 320 CD2 PHE A 21 -8.171 -5.225 6.496 1.00 61.33 C ATOM 321 CE1 PHE A 21 -6.467 -5.741 4.390 1.00 33.44 C ATOM 322 CE2 PHE A 21 -7.855 -6.529 6.165 1.00 0.51 C ATOM 323 CZ PHE A 21 -7.004 -6.786 5.111 1.00 74.13 C ATOM 0 H PHE A 21 -10.177 -3.957 4.897 1.00 60.31 H new ATOM 0 HA PHE A 21 -9.505 -1.229 5.828 1.00 54.25 H new ATOM 0 HB2 PHE A 21 -7.120 -2.099 5.959 1.00 63.24 H new ATOM 0 HB3 PHE A 21 -8.196 -2.683 7.213 1.00 63.24 H new ATOM 0 HD1 PHE A 21 -6.357 -3.625 4.152 1.00 64.04 H new ATOM 0 HD2 PHE A 21 -8.840 -5.031 7.321 1.00 61.33 H new ATOM 0 HE1 PHE A 21 -5.800 -5.941 3.565 1.00 33.44 H new ATOM 0 HE2 PHE A 21 -8.275 -7.347 6.732 1.00 0.51 H new ATOM 0 HZ PHE A 21 -6.758 -7.805 4.851 1.00 74.13 H new ATOM 333 N THR A 22 -8.126 -0.730 3.719 1.00 41.34 N ATOM 334 CA THR A 22 -7.749 -0.279 2.372 1.00 2.21 C ATOM 335 C THR A 22 -6.228 -0.341 2.151 1.00 74.23 C ATOM 336 O THR A 22 -5.452 0.103 2.993 1.00 74.30 O ATOM 337 CB THR A 22 -8.233 1.170 2.117 1.00 30.11 C ATOM 338 OG1 THR A 22 -9.651 1.267 2.341 1.00 43.41 O ATOM 339 CG2 THR A 22 -7.909 1.619 0.697 1.00 42.31 C ATOM 0 H THR A 22 -7.826 -0.107 4.469 1.00 41.34 H new ATOM 0 HA THR A 22 -8.233 -0.958 1.670 1.00 2.21 H new ATOM 0 HB THR A 22 -7.708 1.824 2.814 1.00 30.11 H new ATOM 0 HG1 THR A 22 -9.946 2.187 2.179 1.00 43.41 H new ATOM 0 HG21 THR A 22 -8.261 2.640 0.549 1.00 42.31 H new ATOM 0 HG22 THR A 22 -6.831 1.581 0.540 1.00 42.31 H new ATOM 0 HG23 THR A 22 -8.403 0.958 -0.015 1.00 42.31 H new ATOM 347 N ILE A 23 -5.811 -0.896 1.012 1.00 52.43 N ATOM 348 CA ILE A 23 -4.387 -0.950 0.638 1.00 60.22 C ATOM 349 C ILE A 23 -4.113 0.009 -0.534 1.00 53.31 C ATOM 350 O ILE A 23 -4.818 -0.032 -1.541 1.00 10.21 O ATOM 351 CB ILE A 23 -3.938 -2.384 0.217 1.00 30.23 C ATOM 352 CG1 ILE A 23 -4.267 -3.427 1.305 1.00 3.22 C ATOM 353 CG2 ILE A 23 -2.441 -2.408 -0.108 1.00 2.24 C ATOM 354 CD1 ILE A 23 -5.727 -3.839 1.350 1.00 14.00 C ATOM 0 H ILE A 23 -6.438 -1.317 0.327 1.00 52.43 H new ATOM 0 HA ILE A 23 -3.819 -0.656 1.520 1.00 60.22 H new ATOM 0 HB ILE A 23 -4.498 -2.651 -0.680 1.00 30.23 H new ATOM 0 HG12 ILE A 23 -3.656 -4.314 1.139 1.00 3.22 H new ATOM 0 HG13 ILE A 23 -3.985 -3.023 2.277 1.00 3.22 H new ATOM 0 HG21 ILE A 23 -2.148 -3.417 -0.399 1.00 2.24 H new ATOM 0 HG22 ILE A 23 -2.236 -1.720 -0.928 1.00 2.24 H new ATOM 0 HG23 ILE A 23 -1.873 -2.105 0.771 1.00 2.24 H new ATOM 0 HD11 ILE A 23 -5.873 -4.574 2.141 1.00 14.00 H new ATOM 0 HD12 ILE A 23 -6.346 -2.964 1.548 1.00 14.00 H new ATOM 0 HD13 ILE A 23 -6.012 -4.275 0.393 1.00 14.00 H new ATOM 366 N LEU A 24 -3.098 0.865 -0.413 1.00 12.53 N ATOM 367 CA LEU A 24 -2.785 1.834 -1.479 1.00 22.33 C ATOM 368 C LEU A 24 -1.438 1.537 -2.155 1.00 44.15 C ATOM 369 O LEU A 24 -0.417 1.327 -1.489 1.00 21.12 O ATOM 370 CB LEU A 24 -2.790 3.275 -0.943 1.00 32.11 C ATOM 371 CG LEU A 24 -4.122 3.747 -0.333 1.00 10.11 C ATOM 372 CD1 LEU A 24 -4.111 5.254 -0.107 1.00 63.34 C ATOM 373 CD2 LEU A 24 -5.303 3.353 -1.212 1.00 0.43 C ATOM 0 H LEU A 24 -2.482 0.913 0.399 1.00 12.53 H new ATOM 0 HA LEU A 24 -3.570 1.731 -2.229 1.00 22.33 H new ATOM 0 HB2 LEU A 24 -2.011 3.366 -0.186 1.00 32.11 H new ATOM 0 HB3 LEU A 24 -2.524 3.949 -1.757 1.00 32.11 H new ATOM 0 HG LEU A 24 -4.236 3.252 0.631 1.00 10.11 H new ATOM 0 HD11 LEU A 24 -5.063 5.564 0.325 1.00 63.34 H new ATOM 0 HD12 LEU A 24 -3.301 5.514 0.575 1.00 63.34 H new ATOM 0 HD13 LEU A 24 -3.961 5.764 -1.059 1.00 63.34 H new ATOM 0 HD21 LEU A 24 -6.229 3.700 -0.754 1.00 0.43 H new ATOM 0 HD22 LEU A 24 -5.192 3.808 -2.196 1.00 0.43 H new ATOM 0 HD23 LEU A 24 -5.334 2.268 -1.315 1.00 0.43 H new ATOM 385 N ASP A 25 -1.455 1.531 -3.485 1.00 74.21 N ATOM 386 CA ASP A 25 -0.260 1.294 -4.297 1.00 71.00 C ATOM 387 C ASP A 25 0.433 2.621 -4.628 1.00 71.01 C ATOM 388 O ASP A 25 -0.107 3.426 -5.382 1.00 14.11 O ATOM 389 CB ASP A 25 -0.672 0.597 -5.595 1.00 73.15 C ATOM 390 CG ASP A 25 0.502 0.022 -6.368 1.00 13.33 C ATOM 391 OD1 ASP A 25 1.508 0.730 -6.585 1.00 75.33 O ATOM 392 OD2 ASP A 25 0.410 -1.148 -6.776 1.00 44.12 O ATOM 0 H ASP A 25 -2.300 1.691 -4.034 1.00 74.21 H new ATOM 0 HA ASP A 25 0.435 0.667 -3.738 1.00 71.00 H new ATOM 0 HB2 ASP A 25 -1.372 -0.205 -5.362 1.00 73.15 H new ATOM 0 HB3 ASP A 25 -1.202 1.308 -6.229 1.00 73.15 H new ATOM 397 N VAL A 26 1.628 2.838 -4.083 1.00 34.44 N ATOM 398 CA VAL A 26 2.334 4.114 -4.267 1.00 65.23 C ATOM 399 C VAL A 26 3.538 3.997 -5.214 1.00 73.11 C ATOM 400 O VAL A 26 4.324 4.933 -5.346 1.00 45.11 O ATOM 401 CB VAL A 26 2.801 4.684 -2.909 1.00 31.31 C ATOM 402 CG1 VAL A 26 1.598 4.953 -2.010 1.00 72.40 C ATOM 403 CG2 VAL A 26 3.786 3.732 -2.231 1.00 51.45 C ATOM 0 H VAL A 26 2.129 2.156 -3.514 1.00 34.44 H new ATOM 0 HA VAL A 26 1.617 4.795 -4.726 1.00 65.23 H new ATOM 0 HB VAL A 26 3.317 5.627 -3.087 1.00 31.31 H new ATOM 0 HG11 VAL A 26 1.939 5.354 -1.056 1.00 72.40 H new ATOM 0 HG12 VAL A 26 0.938 5.674 -2.492 1.00 72.40 H new ATOM 0 HG13 VAL A 26 1.056 4.023 -1.839 1.00 72.40 H new ATOM 0 HG21 VAL A 26 4.101 4.154 -1.277 1.00 51.45 H new ATOM 0 HG22 VAL A 26 3.303 2.770 -2.061 1.00 51.45 H new ATOM 0 HG23 VAL A 26 4.657 3.593 -2.872 1.00 51.45 H new ATOM 413 N ARG A 27 3.664 2.864 -5.897 1.00 23.40 N ATOM 414 CA ARG A 27 4.799 2.635 -6.797 1.00 55.14 C ATOM 415 C ARG A 27 4.737 3.565 -8.020 1.00 50.31 C ATOM 416 O ARG A 27 5.501 4.527 -8.123 1.00 42.32 O ATOM 417 CB ARG A 27 4.826 1.173 -7.246 1.00 23.14 C ATOM 418 CG ARG A 27 4.980 0.186 -6.097 1.00 44.42 C ATOM 419 CD ARG A 27 4.747 -1.245 -6.556 1.00 53.03 C ATOM 420 NE ARG A 27 3.419 -1.409 -7.113 1.00 71.50 N ATOM 421 CZ ARG A 27 3.123 -2.266 -8.036 1.00 54.41 C ATOM 422 NH1 ARG A 27 4.017 -3.084 -8.489 1.00 64.42 N ATOM 423 NH2 ARG A 27 1.933 -2.310 -8.507 1.00 52.23 N ATOM 0 H ARG A 27 3.000 2.091 -5.848 1.00 23.40 H new ATOM 0 HA ARG A 27 5.715 2.859 -6.251 1.00 55.14 H new ATOM 0 HB2 ARG A 27 3.905 0.950 -7.785 1.00 23.14 H new ATOM 0 HB3 ARG A 27 5.648 1.032 -7.948 1.00 23.14 H new ATOM 0 HG2 ARG A 27 5.980 0.274 -5.672 1.00 44.42 H new ATOM 0 HG3 ARG A 27 4.273 0.435 -5.305 1.00 44.42 H new ATOM 0 HD2 ARG A 27 5.493 -1.516 -7.303 1.00 53.03 H new ATOM 0 HD3 ARG A 27 4.877 -1.925 -5.714 1.00 53.03 H new ATOM 0 HE ARG A 27 2.673 -0.813 -6.756 1.00 71.50 H new ATOM 0 HH11 ARG A 27 4.967 -3.058 -8.118 1.00 64.42 H new ATOM 0 HH12 ARG A 27 3.772 -3.755 -9.217 1.00 64.42 H new ATOM 0 HH21 ARG A 27 1.221 -1.670 -8.154 1.00 52.23 H new ATOM 0 HH22 ARG A 27 1.697 -2.985 -9.235 1.00 52.23 H new ATOM 437 N ASP A 28 3.817 3.267 -8.934 1.00 3.14 N ATOM 438 CA ASP A 28 3.608 4.076 -10.135 1.00 54.31 C ATOM 439 C ASP A 28 2.360 3.592 -10.880 1.00 24.52 C ATOM 440 O ASP A 28 1.925 2.457 -10.696 1.00 23.53 O ATOM 441 CB ASP A 28 4.825 4.003 -11.070 1.00 52.32 C ATOM 442 CG ASP A 28 4.771 5.050 -12.167 1.00 63.12 C ATOM 443 OD1 ASP A 28 5.143 6.210 -11.902 1.00 63.03 O ATOM 444 OD2 ASP A 28 4.336 4.728 -13.294 1.00 1.45 O ATOM 0 H ASP A 28 3.196 2.461 -8.865 1.00 3.14 H new ATOM 0 HA ASP A 28 3.472 5.112 -9.825 1.00 54.31 H new ATOM 0 HB2 ASP A 28 5.737 4.137 -10.488 1.00 52.32 H new ATOM 0 HB3 ASP A 28 4.876 3.011 -11.519 1.00 52.32 H new ATOM 449 N ARG A 29 1.796 4.448 -11.725 1.00 71.34 N ATOM 450 CA ARG A 29 0.619 4.085 -12.518 1.00 23.10 C ATOM 451 C ARG A 29 0.916 2.865 -13.414 1.00 23.33 C ATOM 452 O ARG A 29 0.092 1.960 -13.556 1.00 65.24 O ATOM 453 CB ARG A 29 0.178 5.284 -13.369 1.00 73.21 C ATOM 454 CG ARG A 29 -1.127 5.057 -14.115 1.00 45.22 C ATOM 455 CD ARG A 29 -2.310 4.928 -13.161 1.00 13.14 C ATOM 456 NE ARG A 29 -3.547 4.611 -13.864 1.00 54.14 N ATOM 457 CZ ARG A 29 -4.564 5.416 -13.972 1.00 21.13 C ATOM 458 NH1 ARG A 29 -4.531 6.601 -13.448 1.00 11.13 N ATOM 459 NH2 ARG A 29 -5.617 5.034 -14.612 1.00 64.10 N ATOM 0 H ARG A 29 2.132 5.398 -11.881 1.00 71.34 H new ATOM 0 HA ARG A 29 -0.190 3.813 -11.840 1.00 23.10 H new ATOM 0 HB2 ARG A 29 0.071 6.156 -12.724 1.00 73.21 H new ATOM 0 HB3 ARG A 29 0.963 5.515 -14.089 1.00 73.21 H new ATOM 0 HG2 ARG A 29 -1.302 5.886 -14.801 1.00 45.22 H new ATOM 0 HG3 ARG A 29 -1.048 4.154 -14.720 1.00 45.22 H new ATOM 0 HD2 ARG A 29 -2.101 4.150 -12.427 1.00 13.14 H new ATOM 0 HD3 ARG A 29 -2.435 5.860 -12.610 1.00 13.14 H new ATOM 0 HE ARG A 29 -3.621 3.693 -14.302 1.00 54.14 H new ATOM 0 HH11 ARG A 29 -3.701 6.913 -12.944 1.00 11.13 H new ATOM 0 HH12 ARG A 29 -5.335 7.222 -13.540 1.00 11.13 H new ATOM 0 HH21 ARG A 29 -5.650 4.105 -15.031 1.00 64.10 H new ATOM 0 HH22 ARG A 29 -6.416 5.661 -14.699 1.00 64.10 H new ATOM 473 N SER A 30 2.121 2.843 -13.981 1.00 30.25 N ATOM 474 CA SER A 30 2.573 1.746 -14.845 1.00 63.32 C ATOM 475 C SER A 30 2.817 0.480 -14.024 1.00 53.11 C ATOM 476 O SER A 30 2.276 -0.587 -14.321 1.00 52.10 O ATOM 477 CB SER A 30 3.873 2.139 -15.562 1.00 32.25 C ATOM 478 OG SER A 30 4.936 2.335 -14.637 1.00 35.23 O ATOM 0 H SER A 30 2.813 3.582 -13.857 1.00 30.25 H new ATOM 0 HA SER A 30 1.793 1.550 -15.581 1.00 63.32 H new ATOM 0 HB2 SER A 30 4.147 1.361 -16.274 1.00 32.25 H new ATOM 0 HB3 SER A 30 3.713 3.053 -16.134 1.00 32.25 H new ATOM 0 HG SER A 30 4.784 3.162 -14.134 1.00 35.23 H new ATOM 484 N THR A 31 3.637 0.622 -12.983 1.00 3.21 N ATOM 485 CA THR A 31 3.969 -0.479 -12.077 1.00 44.34 C ATOM 486 C THR A 31 2.703 -1.112 -11.474 1.00 71.14 C ATOM 487 O THR A 31 2.636 -2.328 -11.270 1.00 63.35 O ATOM 488 CB THR A 31 4.891 0.013 -10.931 1.00 22.41 C ATOM 489 OG1 THR A 31 5.854 0.952 -11.440 1.00 42.32 O ATOM 490 CG2 THR A 31 5.633 -1.150 -10.283 1.00 33.13 C ATOM 0 H THR A 31 4.090 1.504 -12.743 1.00 3.21 H new ATOM 0 HA THR A 31 4.491 -1.234 -12.665 1.00 44.34 H new ATOM 0 HB THR A 31 4.261 0.492 -10.182 1.00 22.41 H new ATOM 0 HG1 THR A 31 6.430 1.258 -10.709 1.00 42.32 H new ATOM 0 HG21 THR A 31 6.271 -0.774 -9.483 1.00 33.13 H new ATOM 0 HG22 THR A 31 4.913 -1.857 -9.871 1.00 33.13 H new ATOM 0 HG23 THR A 31 6.246 -1.652 -11.031 1.00 33.13 H new ATOM 498 N TYR A 32 1.697 -0.275 -11.198 1.00 3.45 N ATOM 499 CA TYR A 32 0.393 -0.755 -10.728 1.00 12.42 C ATOM 500 C TYR A 32 -0.236 -1.697 -11.760 1.00 41.04 C ATOM 501 O TYR A 32 -0.680 -2.800 -11.426 1.00 71.52 O ATOM 502 CB TYR A 32 -0.558 0.422 -10.456 1.00 22.33 C ATOM 503 CG TYR A 32 -1.945 -0.009 -9.994 1.00 14.24 C ATOM 504 CD1 TYR A 32 -2.208 -0.246 -8.653 1.00 21.12 C ATOM 505 CD2 TYR A 32 -2.987 -0.183 -10.904 1.00 24.21 C ATOM 506 CE1 TYR A 32 -3.461 -0.643 -8.226 1.00 4.23 C ATOM 507 CE2 TYR A 32 -4.242 -0.579 -10.484 1.00 32.03 C ATOM 508 CZ TYR A 32 -4.475 -0.808 -9.144 1.00 23.33 C ATOM 509 OH TYR A 32 -5.723 -1.205 -8.720 1.00 74.55 O ATOM 0 H TYR A 32 1.761 0.739 -11.292 1.00 3.45 H new ATOM 0 HA TYR A 32 0.553 -1.300 -9.797 1.00 12.42 H new ATOM 0 HB2 TYR A 32 -0.116 1.068 -9.697 1.00 22.33 H new ATOM 0 HB3 TYR A 32 -0.655 1.017 -11.364 1.00 22.33 H new ATOM 0 HD1 TYR A 32 -1.418 -0.118 -7.928 1.00 21.12 H new ATOM 0 HD2 TYR A 32 -2.810 -0.005 -11.954 1.00 24.21 H new ATOM 0 HE1 TYR A 32 -3.645 -0.823 -7.177 1.00 4.23 H new ATOM 0 HE2 TYR A 32 -5.038 -0.709 -11.202 1.00 32.03 H new ATOM 0 HH TYR A 32 -5.722 -1.302 -7.745 1.00 74.55 H new ATOM 519 N ASN A 33 -0.277 -1.250 -13.013 1.00 72.12 N ATOM 520 CA ASN A 33 -0.790 -2.073 -14.106 1.00 25.02 C ATOM 521 C ASN A 33 0.021 -3.372 -14.262 1.00 1.01 C ATOM 522 O ASN A 33 -0.552 -4.440 -14.464 1.00 33.15 O ATOM 523 CB ASN A 33 -0.790 -1.277 -15.416 1.00 21.25 C ATOM 524 CG ASN A 33 -1.822 -0.162 -15.410 1.00 3.04 C ATOM 525 OD1 ASN A 33 -2.887 -0.290 -14.813 1.00 1.50 O ATOM 526 ND2 ASN A 33 -1.520 0.940 -16.064 1.00 54.13 N ATOM 0 H ASN A 33 0.039 -0.323 -13.297 1.00 72.12 H new ATOM 0 HA ASN A 33 -1.815 -2.352 -13.863 1.00 25.02 H new ATOM 0 HB2 ASN A 33 0.200 -0.852 -15.581 1.00 21.25 H new ATOM 0 HB3 ASN A 33 -0.991 -1.951 -16.249 1.00 21.25 H new ATOM 0 HD21 ASN A 33 -2.179 1.718 -16.084 1.00 54.13 H new ATOM 0 HD22 ASN A 33 -0.627 1.016 -16.550 1.00 54.13 H new ATOM 533 N ASP A 34 1.349 -3.281 -14.151 1.00 74.35 N ATOM 534 CA ASP A 34 2.213 -4.461 -14.251 1.00 1.12 C ATOM 535 C ASP A 34 1.891 -5.505 -13.166 1.00 21.21 C ATOM 536 O ASP A 34 1.739 -6.690 -13.465 1.00 44.14 O ATOM 537 CB ASP A 34 3.690 -4.055 -14.160 1.00 12.23 C ATOM 538 CG ASP A 34 4.125 -3.198 -15.334 1.00 31.32 C ATOM 539 OD1 ASP A 34 3.903 -3.613 -16.490 1.00 20.54 O ATOM 540 OD2 ASP A 34 4.702 -2.115 -15.113 1.00 30.43 O ATOM 0 H ASP A 34 1.848 -2.406 -13.992 1.00 74.35 H new ATOM 0 HA ASP A 34 2.022 -4.918 -15.222 1.00 1.12 H new ATOM 0 HB2 ASP A 34 3.858 -3.508 -13.232 1.00 12.23 H new ATOM 0 HB3 ASP A 34 4.309 -4.951 -14.118 1.00 12.23 H new ATOM 545 N GLY A 35 1.765 -5.072 -11.909 1.00 72.52 N ATOM 546 CA GLY A 35 1.390 -6.009 -10.858 1.00 12.12 C ATOM 547 C GLY A 35 1.145 -5.359 -9.507 1.00 21.42 C ATOM 548 O GLY A 35 2.033 -4.728 -8.964 1.00 41.22 O ATOM 0 H GLY A 35 1.912 -4.110 -11.604 1.00 72.52 H new ATOM 0 HA2 GLY A 35 0.488 -6.539 -11.163 1.00 12.12 H new ATOM 0 HA3 GLY A 35 2.178 -6.755 -10.753 1.00 12.12 H new ATOM 552 N HIS A 36 -0.049 -5.553 -8.951 1.00 24.05 N ATOM 553 CA HIS A 36 -0.443 -4.915 -7.686 1.00 33.41 C ATOM 554 C HIS A 36 -1.124 -5.918 -6.742 1.00 24.43 C ATOM 555 O HIS A 36 -1.652 -6.933 -7.191 1.00 15.31 O ATOM 556 CB HIS A 36 -1.394 -3.745 -7.974 1.00 73.34 C ATOM 557 CG HIS A 36 -2.624 -4.147 -8.740 1.00 54.14 C ATOM 558 ND1 HIS A 36 -2.676 -4.165 -10.119 1.00 51.45 N ATOM 559 CD2 HIS A 36 -3.846 -4.556 -8.318 1.00 23.20 C ATOM 560 CE1 HIS A 36 -3.868 -4.566 -10.512 1.00 63.43 C ATOM 561 NE2 HIS A 36 -4.597 -4.811 -9.442 1.00 31.23 N ATOM 0 H HIS A 36 -0.769 -6.151 -9.357 1.00 24.05 H new ATOM 0 HA HIS A 36 0.458 -4.547 -7.195 1.00 33.41 H new ATOM 0 HB2 HIS A 36 -1.696 -3.291 -7.030 1.00 73.34 H new ATOM 0 HB3 HIS A 36 -0.858 -2.981 -8.538 1.00 73.34 H new ATOM 0 HD1 HIS A 36 -1.909 -3.907 -10.739 1.00 51.45 H new ATOM 0 HD2 HIS A 36 -4.169 -4.662 -7.293 1.00 23.20 H new ATOM 0 HE1 HIS A 36 -4.192 -4.675 -11.536 1.00 63.43 H new ATOM 0 HE2 HIS A 36 -5.563 -5.137 -9.446 1.00 31.23 H new ATOM 570 N ILE A 37 -1.129 -5.625 -5.443 1.00 13.11 N ATOM 571 CA ILE A 37 -1.808 -6.480 -4.456 1.00 44.24 C ATOM 572 C ILE A 37 -3.309 -6.616 -4.771 1.00 12.00 C ATOM 573 O ILE A 37 -3.958 -5.648 -5.179 1.00 75.30 O ATOM 574 CB ILE A 37 -1.633 -5.924 -3.014 1.00 65.21 C ATOM 575 CG1 ILE A 37 -0.158 -6.012 -2.582 1.00 4.13 C ATOM 576 CG2 ILE A 37 -2.538 -6.659 -2.017 1.00 75.24 C ATOM 577 CD1 ILE A 37 0.105 -5.487 -1.184 1.00 73.44 C ATOM 0 H ILE A 37 -0.673 -4.804 -5.044 1.00 13.11 H new ATOM 0 HA ILE A 37 -1.344 -7.464 -4.516 1.00 44.24 H new ATOM 0 HB ILE A 37 -1.933 -4.876 -3.018 1.00 65.21 H new ATOM 0 HG12 ILE A 37 0.165 -7.052 -2.636 1.00 4.13 H new ATOM 0 HG13 ILE A 37 0.452 -5.452 -3.291 1.00 4.13 H new ATOM 0 HG21 ILE A 37 -2.391 -6.246 -1.019 1.00 75.24 H new ATOM 0 HG22 ILE A 37 -3.580 -6.534 -2.311 1.00 75.24 H new ATOM 0 HG23 ILE A 37 -2.287 -7.720 -2.011 1.00 75.24 H new ATOM 0 HD11 ILE A 37 1.166 -5.583 -0.953 1.00 73.44 H new ATOM 0 HD12 ILE A 37 -0.185 -4.438 -1.129 1.00 73.44 H new ATOM 0 HD13 ILE A 37 -0.477 -6.062 -0.464 1.00 73.44 H new ATOM 589 N MET A 38 -3.851 -7.820 -4.587 1.00 54.43 N ATOM 590 CA MET A 38 -5.274 -8.075 -4.837 1.00 20.24 C ATOM 591 C MET A 38 -6.168 -7.230 -3.912 1.00 71.20 C ATOM 592 O MET A 38 -6.325 -7.535 -2.730 1.00 60.53 O ATOM 593 CB MET A 38 -5.581 -9.571 -4.664 1.00 13.45 C ATOM 594 CG MET A 38 -7.039 -9.943 -4.914 1.00 32.05 C ATOM 595 SD MET A 38 -7.315 -11.727 -4.891 1.00 34.23 S ATOM 596 CE MET A 38 -6.282 -12.254 -6.260 1.00 1.04 C ATOM 0 H MET A 38 -3.328 -8.635 -4.266 1.00 54.43 H new ATOM 0 HA MET A 38 -5.494 -7.784 -5.864 1.00 20.24 H new ATOM 0 HB2 MET A 38 -4.950 -10.141 -5.346 1.00 13.45 H new ATOM 0 HB3 MET A 38 -5.309 -9.872 -3.652 1.00 13.45 H new ATOM 0 HG2 MET A 38 -7.665 -9.473 -4.156 1.00 32.05 H new ATOM 0 HG3 MET A 38 -7.352 -9.543 -5.879 1.00 32.05 H new ATOM 0 HE1 MET A 38 -6.557 -13.267 -6.554 1.00 1.04 H new ATOM 0 HE2 MET A 38 -6.425 -11.580 -7.104 1.00 1.04 H new ATOM 0 HE3 MET A 38 -5.236 -12.236 -5.954 1.00 1.04 H new ATOM 606 N GLY A 39 -6.735 -6.158 -4.463 1.00 31.31 N ATOM 607 CA GLY A 39 -7.596 -5.268 -3.688 1.00 32.20 C ATOM 608 C GLY A 39 -6.985 -3.883 -3.460 1.00 41.53 C ATOM 609 O GLY A 39 -7.605 -3.020 -2.832 1.00 54.24 O ATOM 0 H GLY A 39 -6.614 -5.886 -5.439 1.00 31.31 H new ATOM 0 HA2 GLY A 39 -8.550 -5.156 -4.204 1.00 32.20 H new ATOM 0 HA3 GLY A 39 -7.807 -5.728 -2.723 1.00 32.20 H new ATOM 613 N ALA A 40 -5.781 -3.660 -3.982 1.00 3.11 N ATOM 614 CA ALA A 40 -5.069 -2.386 -3.790 1.00 72.13 C ATOM 615 C ALA A 40 -5.574 -1.280 -4.735 1.00 50.02 C ATOM 616 O ALA A 40 -5.898 -1.535 -5.898 1.00 24.23 O ATOM 617 CB ALA A 40 -3.569 -2.592 -3.977 1.00 73.15 C ATOM 0 H ALA A 40 -5.272 -4.343 -4.543 1.00 3.11 H new ATOM 0 HA ALA A 40 -5.271 -2.054 -2.771 1.00 72.13 H new ATOM 0 HB1 ALA A 40 -3.051 -1.644 -3.833 1.00 73.15 H new ATOM 0 HB2 ALA A 40 -3.208 -3.317 -3.248 1.00 73.15 H new ATOM 0 HB3 ALA A 40 -3.375 -2.962 -4.984 1.00 73.15 H new ATOM 623 N MET A 41 -5.632 -0.048 -4.222 1.00 13.04 N ATOM 624 CA MET A 41 -6.059 1.114 -5.014 1.00 43.24 C ATOM 625 C MET A 41 -4.864 1.765 -5.719 1.00 42.14 C ATOM 626 O MET A 41 -3.760 1.815 -5.177 1.00 10.21 O ATOM 627 CB MET A 41 -6.749 2.155 -4.121 1.00 31.42 C ATOM 628 CG MET A 41 -7.860 1.579 -3.258 1.00 22.02 C ATOM 629 SD MET A 41 -8.679 2.821 -2.235 1.00 55.43 S ATOM 630 CE MET A 41 -9.520 3.797 -3.482 1.00 32.22 C ATOM 0 H MET A 41 -5.388 0.173 -3.257 1.00 13.04 H new ATOM 0 HA MET A 41 -6.765 0.759 -5.765 1.00 43.24 H new ATOM 0 HB2 MET A 41 -6.003 2.619 -3.476 1.00 31.42 H new ATOM 0 HB3 MET A 41 -7.161 2.944 -4.750 1.00 31.42 H new ATOM 0 HG2 MET A 41 -8.600 1.101 -3.900 1.00 22.02 H new ATOM 0 HG3 MET A 41 -7.447 0.802 -2.615 1.00 22.02 H new ATOM 0 HE1 MET A 41 -9.289 4.852 -3.335 1.00 32.22 H new ATOM 0 HE2 MET A 41 -9.186 3.487 -4.472 1.00 32.22 H new ATOM 0 HE3 MET A 41 -10.596 3.646 -3.398 1.00 32.22 H new ATOM 640 N ALA A 42 -5.093 2.264 -6.926 1.00 53.24 N ATOM 641 CA ALA A 42 -4.037 2.921 -7.700 1.00 71.20 C ATOM 642 C ALA A 42 -3.774 4.350 -7.208 1.00 41.32 C ATOM 643 O ALA A 42 -4.548 5.262 -7.494 1.00 45.42 O ATOM 644 CB ALA A 42 -4.405 2.936 -9.180 1.00 43.11 C ATOM 0 H ALA A 42 -5.999 2.229 -7.394 1.00 53.24 H new ATOM 0 HA ALA A 42 -3.120 2.349 -7.559 1.00 71.20 H new ATOM 0 HB1 ALA A 42 -3.614 3.427 -9.747 1.00 43.11 H new ATOM 0 HB2 ALA A 42 -4.525 1.913 -9.535 1.00 43.11 H new ATOM 0 HB3 ALA A 42 -5.340 3.480 -9.317 1.00 43.11 H new ATOM 650 N MET A 43 -2.693 4.545 -6.458 1.00 50.54 N ATOM 651 CA MET A 43 -2.281 5.886 -6.025 1.00 75.13 C ATOM 652 C MET A 43 -0.776 6.112 -6.231 1.00 23.20 C ATOM 653 O MET A 43 0.004 6.066 -5.280 1.00 3.11 O ATOM 654 CB MET A 43 -2.653 6.140 -4.554 1.00 71.42 C ATOM 655 CG MET A 43 -4.118 6.486 -4.327 1.00 50.31 C ATOM 656 SD MET A 43 -5.182 5.058 -4.087 1.00 42.21 S ATOM 657 CE MET A 43 -6.698 5.888 -3.603 1.00 12.33 C ATOM 0 H MET A 43 -2.083 3.794 -6.135 1.00 50.54 H new ATOM 0 HA MET A 43 -2.822 6.597 -6.649 1.00 75.13 H new ATOM 0 HB2 MET A 43 -2.407 5.252 -3.971 1.00 71.42 H new ATOM 0 HB3 MET A 43 -2.037 6.953 -4.171 1.00 71.42 H new ATOM 0 HG2 MET A 43 -4.196 7.134 -3.454 1.00 50.31 H new ATOM 0 HG3 MET A 43 -4.482 7.057 -5.181 1.00 50.31 H new ATOM 0 HE1 MET A 43 -7.096 5.423 -2.701 1.00 12.33 H new ATOM 0 HE2 MET A 43 -6.490 6.940 -3.407 1.00 12.33 H new ATOM 0 HE3 MET A 43 -7.430 5.806 -4.406 1.00 12.33 H new ATOM 667 N PRO A 44 -0.351 6.377 -7.483 1.00 43.31 N ATOM 668 CA PRO A 44 1.071 6.596 -7.805 1.00 22.11 C ATOM 669 C PRO A 44 1.670 7.705 -6.923 1.00 34.22 C ATOM 670 O PRO A 44 1.080 8.774 -6.792 1.00 41.40 O ATOM 671 CB PRO A 44 1.044 7.000 -9.294 1.00 23.13 C ATOM 672 CG PRO A 44 -0.258 6.480 -9.813 1.00 33.41 C ATOM 673 CD PRO A 44 -1.221 6.527 -8.663 1.00 53.14 C ATOM 0 HA PRO A 44 1.693 5.720 -7.623 1.00 22.11 H new ATOM 0 HB2 PRO A 44 1.112 8.082 -9.411 1.00 23.13 H new ATOM 0 HB3 PRO A 44 1.886 6.568 -9.835 1.00 23.13 H new ATOM 0 HG2 PRO A 44 -0.616 7.088 -10.644 1.00 33.41 H new ATOM 0 HG3 PRO A 44 -0.149 5.462 -10.187 1.00 33.41 H new ATOM 0 HD2 PRO A 44 -1.772 7.467 -8.639 1.00 53.14 H new ATOM 0 HD3 PRO A 44 -1.958 5.726 -8.723 1.00 53.14 H new ATOM 681 N ILE A 45 2.835 7.442 -6.321 1.00 53.12 N ATOM 682 CA ILE A 45 3.407 8.314 -5.275 1.00 14.14 C ATOM 683 C ILE A 45 3.366 9.820 -5.630 1.00 75.42 C ATOM 684 O ILE A 45 3.308 10.674 -4.740 1.00 44.11 O ATOM 685 CB ILE A 45 4.859 7.881 -4.941 1.00 72.21 C ATOM 686 CG1 ILE A 45 5.332 8.523 -3.625 1.00 31.01 C ATOM 687 CG2 ILE A 45 5.810 8.224 -6.089 1.00 23.34 C ATOM 688 CD1 ILE A 45 6.615 7.928 -3.083 1.00 51.45 C ATOM 0 H ILE A 45 3.408 6.627 -6.539 1.00 53.12 H new ATOM 0 HA ILE A 45 2.773 8.188 -4.398 1.00 14.14 H new ATOM 0 HB ILE A 45 4.867 6.799 -4.811 1.00 72.21 H new ATOM 0 HG12 ILE A 45 5.476 9.592 -3.784 1.00 31.01 H new ATOM 0 HG13 ILE A 45 4.547 8.415 -2.876 1.00 31.01 H new ATOM 0 HG21 ILE A 45 6.821 7.910 -5.830 1.00 23.34 H new ATOM 0 HG22 ILE A 45 5.490 7.707 -6.993 1.00 23.34 H new ATOM 0 HG23 ILE A 45 5.797 9.300 -6.263 1.00 23.34 H new ATOM 0 HD11 ILE A 45 6.886 8.431 -2.155 1.00 51.45 H new ATOM 0 HD12 ILE A 45 6.470 6.865 -2.891 1.00 51.45 H new ATOM 0 HD13 ILE A 45 7.414 8.059 -3.813 1.00 51.45 H new ATOM 700 N GLU A 46 3.381 10.143 -6.921 1.00 51.41 N ATOM 701 CA GLU A 46 3.245 11.534 -7.378 1.00 20.02 C ATOM 702 C GLU A 46 1.789 12.038 -7.240 1.00 72.23 C ATOM 703 O GLU A 46 1.543 13.152 -6.774 1.00 61.23 O ATOM 704 CB GLU A 46 3.722 11.656 -8.835 1.00 70.12 C ATOM 705 CG GLU A 46 2.972 10.752 -9.813 1.00 52.44 C ATOM 706 CD GLU A 46 3.557 10.783 -11.216 1.00 44.54 C ATOM 707 OE1 GLU A 46 3.188 11.678 -12.008 1.00 63.41 O ATOM 708 OE2 GLU A 46 4.390 9.911 -11.537 1.00 23.41 O ATOM 0 H GLU A 46 3.486 9.463 -7.674 1.00 51.41 H new ATOM 0 HA GLU A 46 3.870 12.162 -6.743 1.00 20.02 H new ATOM 0 HB2 GLU A 46 3.613 12.692 -9.157 1.00 70.12 H new ATOM 0 HB3 GLU A 46 4.785 11.419 -8.879 1.00 70.12 H new ATOM 0 HG2 GLU A 46 2.990 9.728 -9.440 1.00 52.44 H new ATOM 0 HG3 GLU A 46 1.927 11.058 -9.854 1.00 52.44 H new ATOM 715 N ASP A 47 0.832 11.200 -7.628 1.00 5.44 N ATOM 716 CA ASP A 47 -0.596 11.537 -7.556 1.00 33.42 C ATOM 717 C ASP A 47 -1.202 11.151 -6.190 1.00 14.30 C ATOM 718 O ASP A 47 -2.352 11.475 -5.893 1.00 32.23 O ATOM 719 CB ASP A 47 -1.352 10.801 -8.672 1.00 75.35 C ATOM 720 CG ASP A 47 -0.762 11.058 -10.049 1.00 3.11 C ATOM 721 OD1 ASP A 47 -0.862 12.203 -10.532 1.00 20.23 O ATOM 722 OD2 ASP A 47 -0.197 10.116 -10.654 1.00 40.40 O ATOM 0 H ASP A 47 1.018 10.269 -8.001 1.00 5.44 H new ATOM 0 HA ASP A 47 -0.694 12.616 -7.679 1.00 33.42 H new ATOM 0 HB2 ASP A 47 -1.338 9.730 -8.469 1.00 75.35 H new ATOM 0 HB3 ASP A 47 -2.396 11.113 -8.665 1.00 75.35 H new ATOM 727 N LEU A 48 -0.402 10.470 -5.372 1.00 41.53 N ATOM 728 CA LEU A 48 -0.854 9.852 -4.112 1.00 43.45 C ATOM 729 C LEU A 48 -1.740 10.758 -3.234 1.00 50.23 C ATOM 730 O LEU A 48 -2.916 10.458 -3.026 1.00 34.53 O ATOM 731 CB LEU A 48 0.369 9.396 -3.299 1.00 24.54 C ATOM 732 CG LEU A 48 0.072 8.862 -1.887 1.00 60.42 C ATOM 733 CD1 LEU A 48 -0.782 7.599 -1.945 1.00 25.12 C ATOM 734 CD2 LEU A 48 1.370 8.606 -1.126 1.00 74.25 C ATOM 0 H LEU A 48 0.590 10.326 -5.561 1.00 41.53 H new ATOM 0 HA LEU A 48 -1.480 9.008 -4.401 1.00 43.45 H new ATOM 0 HB2 LEU A 48 0.885 8.617 -3.860 1.00 24.54 H new ATOM 0 HB3 LEU A 48 1.058 10.236 -3.212 1.00 24.54 H new ATOM 0 HG LEU A 48 -0.495 9.623 -1.351 1.00 60.42 H new ATOM 0 HD11 LEU A 48 -0.976 7.244 -0.933 1.00 25.12 H new ATOM 0 HD12 LEU A 48 -1.728 7.822 -2.439 1.00 25.12 H new ATOM 0 HD13 LEU A 48 -0.253 6.828 -2.505 1.00 25.12 H new ATOM 0 HD21 LEU A 48 1.139 8.229 -0.130 1.00 74.25 H new ATOM 0 HD22 LEU A 48 1.968 7.870 -1.663 1.00 74.25 H new ATOM 0 HD23 LEU A 48 1.931 9.536 -1.041 1.00 74.25 H new ATOM 746 N VAL A 49 -1.173 11.846 -2.708 1.00 2.32 N ATOM 747 CA VAL A 49 -1.878 12.695 -1.729 1.00 65.10 C ATOM 748 C VAL A 49 -3.268 13.125 -2.227 1.00 50.33 C ATOM 749 O VAL A 49 -4.274 12.910 -1.547 1.00 52.32 O ATOM 750 CB VAL A 49 -1.044 13.954 -1.376 1.00 3.43 C ATOM 751 CG1 VAL A 49 -1.801 14.864 -0.405 1.00 13.34 C ATOM 752 CG2 VAL A 49 0.315 13.555 -0.800 1.00 40.00 C ATOM 0 H VAL A 49 -0.232 12.164 -2.939 1.00 2.32 H new ATOM 0 HA VAL A 49 -2.010 12.087 -0.834 1.00 65.10 H new ATOM 0 HB VAL A 49 -0.876 14.515 -2.295 1.00 3.43 H new ATOM 0 HG11 VAL A 49 -1.192 15.738 -0.176 1.00 13.34 H new ATOM 0 HG12 VAL A 49 -2.738 15.184 -0.861 1.00 13.34 H new ATOM 0 HG13 VAL A 49 -2.013 14.318 0.514 1.00 13.34 H new ATOM 0 HG21 VAL A 49 0.885 14.452 -0.559 1.00 40.00 H new ATOM 0 HG22 VAL A 49 0.168 12.964 0.104 1.00 40.00 H new ATOM 0 HG23 VAL A 49 0.862 12.964 -1.534 1.00 40.00 H new ATOM 762 N ASP A 50 -3.319 13.707 -3.418 1.00 4.31 N ATOM 763 CA ASP A 50 -4.586 14.111 -4.039 1.00 51.24 C ATOM 764 C ASP A 50 -5.531 12.904 -4.218 1.00 20.24 C ATOM 765 O ASP A 50 -6.705 12.949 -3.835 1.00 22.44 O ATOM 766 CB ASP A 50 -4.308 14.758 -5.397 1.00 74.05 C ATOM 767 CG ASP A 50 -3.313 15.900 -5.297 1.00 74.34 C ATOM 768 OD1 ASP A 50 -2.093 15.634 -5.300 1.00 72.24 O ATOM 769 OD2 ASP A 50 -3.746 17.067 -5.205 1.00 22.24 O ATOM 0 H ASP A 50 -2.494 13.914 -3.982 1.00 4.31 H new ATOM 0 HA ASP A 50 -5.076 14.829 -3.382 1.00 51.24 H new ATOM 0 HB2 ASP A 50 -3.925 14.004 -6.085 1.00 74.05 H new ATOM 0 HB3 ASP A 50 -5.242 15.129 -5.819 1.00 74.05 H new ATOM 774 N ARG A 51 -4.995 11.829 -4.794 1.00 13.42 N ATOM 775 CA ARG A 51 -5.740 10.581 -5.016 1.00 0.41 C ATOM 776 C ARG A 51 -6.425 10.075 -3.738 1.00 51.04 C ATOM 777 O ARG A 51 -7.639 9.851 -3.712 1.00 53.21 O ATOM 778 CB ARG A 51 -4.779 9.503 -5.536 1.00 64.40 C ATOM 779 CG ARG A 51 -4.533 9.546 -7.036 1.00 21.44 C ATOM 780 CD ARG A 51 -5.714 8.971 -7.798 1.00 4.33 C ATOM 781 NE ARG A 51 -5.937 7.559 -7.482 1.00 14.12 N ATOM 782 CZ ARG A 51 -7.109 6.993 -7.393 1.00 64.20 C ATOM 783 NH1 ARG A 51 -8.189 7.673 -7.599 1.00 31.31 N ATOM 784 NH2 ARG A 51 -7.190 5.734 -7.103 1.00 35.53 N ATOM 0 H ARG A 51 -4.030 11.794 -5.122 1.00 13.42 H new ATOM 0 HA ARG A 51 -6.520 10.789 -5.748 1.00 0.41 H new ATOM 0 HB2 ARG A 51 -3.824 9.607 -5.021 1.00 64.40 H new ATOM 0 HB3 ARG A 51 -5.177 8.523 -5.274 1.00 64.40 H new ATOM 0 HG2 ARG A 51 -4.359 10.575 -7.350 1.00 21.44 H new ATOM 0 HG3 ARG A 51 -3.631 8.983 -7.277 1.00 21.44 H new ATOM 0 HD2 ARG A 51 -6.612 9.542 -7.560 1.00 4.33 H new ATOM 0 HD3 ARG A 51 -5.542 9.080 -8.869 1.00 4.33 H new ATOM 0 HE ARG A 51 -5.116 6.975 -7.320 1.00 14.12 H new ATOM 0 HH11 ARG A 51 -8.131 8.664 -7.834 1.00 31.31 H new ATOM 0 HH12 ARG A 51 -9.099 7.219 -7.526 1.00 31.31 H new ATOM 0 HH21 ARG A 51 -6.341 5.191 -6.946 1.00 35.53 H new ATOM 0 HH22 ARG A 51 -8.103 5.285 -7.032 1.00 35.53 H new ATOM 798 N ALA A 52 -5.637 9.891 -2.685 1.00 61.05 N ATOM 799 CA ALA A 52 -6.149 9.375 -1.418 1.00 11.53 C ATOM 800 C ALA A 52 -7.132 10.355 -0.765 1.00 42.51 C ATOM 801 O ALA A 52 -8.214 9.967 -0.337 1.00 41.23 O ATOM 802 CB ALA A 52 -4.994 9.070 -0.476 1.00 4.13 C ATOM 0 H ALA A 52 -4.637 10.092 -2.683 1.00 61.05 H new ATOM 0 HA ALA A 52 -6.694 8.454 -1.624 1.00 11.53 H new ATOM 0 HB1 ALA A 52 -5.385 8.686 0.466 1.00 4.13 H new ATOM 0 HB2 ALA A 52 -4.342 8.324 -0.930 1.00 4.13 H new ATOM 0 HB3 ALA A 52 -4.427 9.982 -0.289 1.00 4.13 H new ATOM 808 N SER A 53 -6.750 11.630 -0.701 1.00 34.31 N ATOM 809 CA SER A 53 -7.604 12.677 -0.111 1.00 34.24 C ATOM 810 C SER A 53 -8.985 12.738 -0.785 1.00 42.23 C ATOM 811 O SER A 53 -10.000 12.975 -0.129 1.00 4.12 O ATOM 812 CB SER A 53 -6.920 14.050 -0.223 1.00 53.05 C ATOM 813 OG SER A 53 -7.748 15.091 0.277 1.00 60.21 O ATOM 0 H SER A 53 -5.854 11.970 -1.050 1.00 34.31 H new ATOM 0 HA SER A 53 -7.749 12.421 0.939 1.00 34.24 H new ATOM 0 HB2 SER A 53 -5.981 14.035 0.330 1.00 53.05 H new ATOM 0 HB3 SER A 53 -6.673 14.250 -1.266 1.00 53.05 H new ATOM 0 HG SER A 53 -7.282 15.949 0.192 1.00 60.21 H new ATOM 819 N SER A 54 -9.013 12.498 -2.095 1.00 72.40 N ATOM 820 CA SER A 54 -10.252 12.594 -2.890 1.00 62.31 C ATOM 821 C SER A 54 -11.034 11.267 -2.927 1.00 42.51 C ATOM 822 O SER A 54 -12.058 11.167 -3.605 1.00 33.14 O ATOM 823 CB SER A 54 -9.923 13.027 -4.329 1.00 5.31 C ATOM 824 OG SER A 54 -9.172 14.234 -4.350 1.00 3.33 O ATOM 0 H SER A 54 -8.191 12.234 -2.637 1.00 72.40 H new ATOM 0 HA SER A 54 -10.883 13.339 -2.404 1.00 62.31 H new ATOM 0 HB2 SER A 54 -9.360 12.238 -4.828 1.00 5.31 H new ATOM 0 HB3 SER A 54 -10.848 13.163 -4.890 1.00 5.31 H new ATOM 0 HG SER A 54 -8.230 14.036 -4.168 1.00 3.33 H new ATOM 830 N SER A 55 -10.548 10.243 -2.221 1.00 25.11 N ATOM 831 CA SER A 55 -11.187 8.909 -2.260 1.00 22.00 C ATOM 832 C SER A 55 -11.356 8.281 -0.863 1.00 43.21 C ATOM 833 O SER A 55 -12.216 7.423 -0.655 1.00 0.31 O ATOM 834 CB SER A 55 -10.359 7.959 -3.138 1.00 55.50 C ATOM 835 OG SER A 55 -10.163 8.491 -4.443 1.00 24.11 O ATOM 0 H SER A 55 -9.726 10.302 -1.621 1.00 25.11 H new ATOM 0 HA SER A 55 -12.183 9.053 -2.678 1.00 22.00 H new ATOM 0 HB2 SER A 55 -9.392 7.779 -2.669 1.00 55.50 H new ATOM 0 HB3 SER A 55 -10.863 6.995 -3.209 1.00 55.50 H new ATOM 0 HG SER A 55 -9.337 9.018 -4.461 1.00 24.11 H new ATOM 841 N LEU A 56 -10.535 8.706 0.087 1.00 64.43 N ATOM 842 CA LEU A 56 -10.495 8.096 1.423 1.00 55.23 C ATOM 843 C LEU A 56 -10.513 9.150 2.531 1.00 65.34 C ATOM 844 O LEU A 56 -10.149 10.310 2.315 1.00 31.22 O ATOM 845 CB LEU A 56 -9.231 7.230 1.566 1.00 42.23 C ATOM 846 CG LEU A 56 -9.199 5.959 0.705 1.00 53.00 C ATOM 847 CD1 LEU A 56 -7.811 5.328 0.730 1.00 74.11 C ATOM 848 CD2 LEU A 56 -10.251 4.963 1.188 1.00 35.40 C ATOM 0 H LEU A 56 -9.879 9.477 -0.038 1.00 64.43 H new ATOM 0 HA LEU A 56 -11.387 7.478 1.528 1.00 55.23 H new ATOM 0 HB2 LEU A 56 -8.363 7.840 1.314 1.00 42.23 H new ATOM 0 HB3 LEU A 56 -9.126 6.942 2.612 1.00 42.23 H new ATOM 0 HG LEU A 56 -9.430 6.234 -0.324 1.00 53.00 H new ATOM 0 HD11 LEU A 56 -7.809 4.429 0.114 1.00 74.11 H new ATOM 0 HD12 LEU A 56 -7.082 6.037 0.339 1.00 74.11 H new ATOM 0 HD13 LEU A 56 -7.549 5.066 1.755 1.00 74.11 H new ATOM 0 HD21 LEU A 56 -10.216 4.067 0.568 1.00 35.40 H new ATOM 0 HD22 LEU A 56 -10.049 4.695 2.225 1.00 35.40 H new ATOM 0 HD23 LEU A 56 -11.240 5.415 1.117 1.00 35.40 H new ATOM 860 N GLU A 57 -10.940 8.738 3.719 1.00 32.14 N ATOM 861 CA GLU A 57 -10.887 9.605 4.894 1.00 71.52 C ATOM 862 C GLU A 57 -9.557 9.480 5.622 1.00 3.55 C ATOM 863 O GLU A 57 -8.715 8.652 5.283 1.00 74.01 O ATOM 864 CB GLU A 57 -12.010 9.282 5.880 1.00 42.35 C ATOM 865 CG GLU A 57 -13.387 9.712 5.421 1.00 0.41 C ATOM 866 CD GLU A 57 -14.030 8.719 4.464 1.00 43.53 C ATOM 867 OE1 GLU A 57 -14.459 7.641 4.930 1.00 34.20 O ATOM 868 OE2 GLU A 57 -14.097 8.998 3.249 1.00 40.42 O ATOM 0 H GLU A 57 -11.326 7.811 3.896 1.00 32.14 H new ATOM 0 HA GLU A 57 -11.006 10.624 4.527 1.00 71.52 H new ATOM 0 HB2 GLU A 57 -12.020 8.207 6.062 1.00 42.35 H new ATOM 0 HB3 GLU A 57 -11.791 9.764 6.833 1.00 42.35 H new ATOM 0 HG2 GLU A 57 -14.031 9.839 6.291 1.00 0.41 H new ATOM 0 HG3 GLU A 57 -13.315 10.684 4.933 1.00 0.41 H new ATOM 875 N LYS A 58 -9.401 10.284 6.661 1.00 52.32 N ATOM 876 CA LYS A 58 -8.157 10.306 7.437 1.00 11.31 C ATOM 877 C LYS A 58 -8.148 9.201 8.506 1.00 1.41 C ATOM 878 O LYS A 58 -7.093 8.704 8.903 1.00 42.01 O ATOM 879 CB LYS A 58 -7.966 11.685 8.087 1.00 33.24 C ATOM 880 CG LYS A 58 -8.070 12.853 7.103 1.00 0.53 C ATOM 881 CD LYS A 58 -7.000 12.804 6.008 1.00 2.23 C ATOM 882 CE LYS A 58 -7.248 13.842 4.914 1.00 20.42 C ATOM 883 NZ LYS A 58 -7.157 15.233 5.429 1.00 44.44 N ATOM 0 H LYS A 58 -10.116 10.932 6.992 1.00 52.32 H new ATOM 0 HA LYS A 58 -7.327 10.117 6.756 1.00 11.31 H new ATOM 0 HB2 LYS A 58 -8.714 11.814 8.869 1.00 33.24 H new ATOM 0 HB3 LYS A 58 -6.990 11.716 8.571 1.00 33.24 H new ATOM 0 HG2 LYS A 58 -9.057 12.846 6.641 1.00 0.53 H new ATOM 0 HG3 LYS A 58 -7.981 13.792 7.650 1.00 0.53 H new ATOM 0 HD2 LYS A 58 -6.019 12.974 6.452 1.00 2.23 H new ATOM 0 HD3 LYS A 58 -6.981 11.808 5.565 1.00 2.23 H new ATOM 0 HE2 LYS A 58 -6.521 13.704 4.114 1.00 20.42 H new ATOM 0 HE3 LYS A 58 -8.235 13.681 4.480 1.00 20.42 H new ATOM 0 HZ1 LYS A 58 -7.527 15.892 4.715 1.00 44.44 H new ATOM 0 HZ2 LYS A 58 -7.717 15.317 6.302 1.00 44.44 H new ATOM 0 HZ3 LYS A 58 -6.163 15.464 5.631 1.00 44.44 H new ATOM 897 N SER A 59 -9.336 8.808 8.959 1.00 23.42 N ATOM 898 CA SER A 59 -9.467 7.782 10.008 1.00 45.34 C ATOM 899 C SER A 59 -9.444 6.362 9.419 1.00 61.52 C ATOM 900 O SER A 59 -9.388 5.379 10.159 1.00 23.13 O ATOM 901 CB SER A 59 -10.766 7.987 10.800 1.00 12.30 C ATOM 902 OG SER A 59 -10.881 9.321 11.281 1.00 70.12 O ATOM 0 H SER A 59 -10.224 9.179 8.621 1.00 23.42 H new ATOM 0 HA SER A 59 -8.612 7.890 10.675 1.00 45.34 H new ATOM 0 HB2 SER A 59 -11.621 7.754 10.165 1.00 12.30 H new ATOM 0 HB3 SER A 59 -10.794 7.293 11.640 1.00 12.30 H new ATOM 0 HG SER A 59 -10.057 9.572 11.749 1.00 70.12 H new ATOM 908 N ARG A 60 -9.504 6.256 8.092 1.00 2.11 N ATOM 909 CA ARG A 60 -9.464 4.953 7.411 1.00 4.14 C ATOM 910 C ARG A 60 -8.107 4.254 7.594 1.00 75.21 C ATOM 911 O ARG A 60 -7.061 4.834 7.313 1.00 25.33 O ATOM 912 CB ARG A 60 -9.757 5.127 5.910 1.00 63.20 C ATOM 913 CG ARG A 60 -9.532 3.863 5.072 1.00 42.13 C ATOM 914 CD ARG A 60 -10.488 2.733 5.449 1.00 75.32 C ATOM 915 NE ARG A 60 -11.868 3.037 5.076 1.00 70.21 N ATOM 916 CZ ARG A 60 -12.862 2.199 5.197 1.00 73.22 C ATOM 917 NH1 ARG A 60 -12.691 1.038 5.749 1.00 51.21 N ATOM 918 NH2 ARG A 60 -14.036 2.530 4.770 1.00 31.33 N ATOM 0 H ARG A 60 -9.581 7.055 7.463 1.00 2.11 H new ATOM 0 HA ARG A 60 -10.231 4.325 7.864 1.00 4.14 H new ATOM 0 HB2 ARG A 60 -10.791 5.450 5.789 1.00 63.20 H new ATOM 0 HB3 ARG A 60 -9.126 5.925 5.519 1.00 63.20 H new ATOM 0 HG2 ARG A 60 -9.658 4.104 4.016 1.00 42.13 H new ATOM 0 HG3 ARG A 60 -8.504 3.523 5.201 1.00 42.13 H new ATOM 0 HD2 ARG A 60 -10.174 1.813 4.957 1.00 75.32 H new ATOM 0 HD3 ARG A 60 -10.433 2.555 6.523 1.00 75.32 H new ATOM 0 HE ARG A 60 -12.067 3.963 4.697 1.00 70.21 H new ATOM 0 HH11 ARG A 60 -11.770 0.769 6.096 1.00 51.21 H new ATOM 0 HH12 ARG A 60 -13.477 0.394 5.836 1.00 51.21 H new ATOM 0 HH21 ARG A 60 -14.184 3.443 4.340 1.00 31.33 H new ATOM 0 HH22 ARG A 60 -14.815 1.878 4.863 1.00 31.33 H new ATOM 932 N ASP A 61 -8.137 3.011 8.074 1.00 42.21 N ATOM 933 CA ASP A 61 -6.928 2.190 8.178 1.00 13.13 C ATOM 934 C ASP A 61 -6.369 1.831 6.788 1.00 44.11 C ATOM 935 O ASP A 61 -6.933 1.006 6.060 1.00 21.20 O ATOM 936 CB ASP A 61 -7.217 0.927 8.998 1.00 43.54 C ATOM 937 CG ASP A 61 -7.516 1.255 10.451 1.00 23.52 C ATOM 938 OD1 ASP A 61 -8.597 1.809 10.731 1.00 0.12 O ATOM 939 OD2 ASP A 61 -6.659 0.990 11.319 1.00 53.32 O ATOM 0 H ASP A 61 -8.987 2.549 8.398 1.00 42.21 H new ATOM 0 HA ASP A 61 -6.164 2.773 8.693 1.00 13.13 H new ATOM 0 HB2 ASP A 61 -8.064 0.397 8.563 1.00 43.54 H new ATOM 0 HB3 ASP A 61 -6.360 0.255 8.946 1.00 43.54 H new ATOM 944 N ILE A 62 -5.258 2.470 6.435 1.00 44.11 N ATOM 945 CA ILE A 62 -4.633 2.317 5.123 1.00 42.23 C ATOM 946 C ILE A 62 -3.263 1.622 5.211 1.00 5.32 C ATOM 947 O ILE A 62 -2.381 2.042 5.968 1.00 50.03 O ATOM 948 CB ILE A 62 -4.445 3.699 4.451 1.00 23.41 C ATOM 949 CG1 ILE A 62 -5.804 4.393 4.255 1.00 41.22 C ATOM 950 CG2 ILE A 62 -3.711 3.559 3.120 1.00 34.45 C ATOM 951 CD1 ILE A 62 -5.704 5.797 3.693 1.00 63.03 C ATOM 0 H ILE A 62 -4.762 3.112 7.053 1.00 44.11 H new ATOM 0 HA ILE A 62 -5.300 1.694 4.528 1.00 42.23 H new ATOM 0 HB ILE A 62 -3.836 4.319 5.108 1.00 23.41 H new ATOM 0 HG12 ILE A 62 -6.416 3.788 3.586 1.00 41.22 H new ATOM 0 HG13 ILE A 62 -6.322 4.432 5.213 1.00 41.22 H new ATOM 0 HG21 ILE A 62 -3.590 4.543 2.666 1.00 34.45 H new ATOM 0 HG22 ILE A 62 -2.730 3.115 3.290 1.00 34.45 H new ATOM 0 HG23 ILE A 62 -4.288 2.919 2.452 1.00 34.45 H new ATOM 0 HD11 ILE A 62 -6.704 6.218 3.584 1.00 63.03 H new ATOM 0 HD12 ILE A 62 -5.120 6.420 4.371 1.00 63.03 H new ATOM 0 HD13 ILE A 62 -5.216 5.765 2.719 1.00 63.03 H new ATOM 963 N TYR A 63 -3.095 0.561 4.435 1.00 33.12 N ATOM 964 CA TYR A 63 -1.803 -0.117 4.304 1.00 0.30 C ATOM 965 C TYR A 63 -1.115 0.313 3.000 1.00 72.31 C ATOM 966 O TYR A 63 -1.628 0.075 1.906 1.00 51.35 O ATOM 967 CB TYR A 63 -1.996 -1.640 4.327 1.00 64.42 C ATOM 968 CG TYR A 63 -2.641 -2.161 5.602 1.00 0.13 C ATOM 969 CD1 TYR A 63 -4.022 -2.141 5.765 1.00 35.41 C ATOM 970 CD2 TYR A 63 -1.869 -2.675 6.641 1.00 0.53 C ATOM 971 CE1 TYR A 63 -4.611 -2.614 6.920 1.00 72.34 C ATOM 972 CE2 TYR A 63 -2.456 -3.154 7.798 1.00 5.54 C ATOM 973 CZ TYR A 63 -3.827 -3.119 7.930 1.00 1.11 C ATOM 974 OH TYR A 63 -4.423 -3.604 9.075 1.00 51.50 O ATOM 0 H TYR A 63 -3.842 0.144 3.880 1.00 33.12 H new ATOM 0 HA TYR A 63 -1.170 0.165 5.146 1.00 0.30 H new ATOM 0 HB2 TYR A 63 -2.611 -1.931 3.475 1.00 64.42 H new ATOM 0 HB3 TYR A 63 -1.026 -2.121 4.199 1.00 64.42 H new ATOM 0 HD1 TYR A 63 -4.644 -1.749 4.974 1.00 35.41 H new ATOM 0 HD2 TYR A 63 -0.794 -2.700 6.542 1.00 0.53 H new ATOM 0 HE1 TYR A 63 -5.685 -2.587 7.030 1.00 72.34 H new ATOM 0 HE2 TYR A 63 -1.844 -3.553 8.593 1.00 5.54 H new ATOM 0 HH TYR A 63 -4.431 -2.904 9.761 1.00 51.50 H new ATOM 984 N VAL A 64 0.038 0.956 3.120 1.00 23.12 N ATOM 985 CA VAL A 64 0.753 1.502 1.960 1.00 21.42 C ATOM 986 C VAL A 64 1.971 0.648 1.599 1.00 34.34 C ATOM 987 O VAL A 64 2.733 0.241 2.477 1.00 3.42 O ATOM 988 CB VAL A 64 1.214 2.951 2.243 1.00 62.51 C ATOM 989 CG1 VAL A 64 2.032 3.510 1.081 1.00 52.55 C ATOM 990 CG2 VAL A 64 0.016 3.847 2.546 1.00 45.31 C ATOM 0 H VAL A 64 0.506 1.116 4.012 1.00 23.12 H new ATOM 0 HA VAL A 64 0.060 1.494 1.118 1.00 21.42 H new ATOM 0 HB VAL A 64 1.859 2.932 3.122 1.00 62.51 H new ATOM 0 HG11 VAL A 64 2.341 4.530 1.311 1.00 52.55 H new ATOM 0 HG12 VAL A 64 2.915 2.890 0.926 1.00 52.55 H new ATOM 0 HG13 VAL A 64 1.425 3.510 0.176 1.00 52.55 H new ATOM 0 HG21 VAL A 64 0.361 4.862 2.742 1.00 45.31 H new ATOM 0 HG22 VAL A 64 -0.660 3.853 1.691 1.00 45.31 H new ATOM 0 HG23 VAL A 64 -0.510 3.467 3.422 1.00 45.31 H new ATOM 1000 N TYR A 65 2.157 0.377 0.305 1.00 63.33 N ATOM 1001 CA TYR A 65 3.308 -0.407 -0.141 1.00 1.42 C ATOM 1002 C TYR A 65 3.932 0.158 -1.431 1.00 34.21 C ATOM 1003 O TYR A 65 3.235 0.491 -2.396 1.00 53.23 O ATOM 1004 CB TYR A 65 2.915 -1.881 -0.330 1.00 64.10 C ATOM 1005 CG TYR A 65 2.041 -2.158 -1.543 1.00 54.25 C ATOM 1006 CD1 TYR A 65 0.739 -1.678 -1.626 1.00 40.44 C ATOM 1007 CD2 TYR A 65 2.526 -2.912 -2.601 1.00 3.21 C ATOM 1008 CE1 TYR A 65 -0.048 -1.944 -2.731 1.00 65.04 C ATOM 1009 CE2 TYR A 65 1.747 -3.184 -3.705 1.00 2.40 C ATOM 1010 CZ TYR A 65 0.461 -2.700 -3.767 1.00 53.42 C ATOM 1011 OH TYR A 65 -0.317 -2.977 -4.867 1.00 21.50 O ATOM 0 H TYR A 65 1.534 0.684 -0.442 1.00 63.33 H new ATOM 0 HA TYR A 65 4.067 -0.340 0.639 1.00 1.42 H new ATOM 0 HB2 TYR A 65 3.824 -2.477 -0.411 1.00 64.10 H new ATOM 0 HB3 TYR A 65 2.390 -2.220 0.563 1.00 64.10 H new ATOM 0 HD1 TYR A 65 0.336 -1.089 -0.815 1.00 40.44 H new ATOM 0 HD2 TYR A 65 3.535 -3.294 -2.559 1.00 3.21 H new ATOM 0 HE1 TYR A 65 -1.057 -1.562 -2.783 1.00 65.04 H new ATOM 0 HE2 TYR A 65 2.144 -3.774 -4.517 1.00 2.40 H new ATOM 0 HH TYR A 65 0.006 -2.460 -5.635 1.00 21.50 H new ATOM 1021 N GLY A 66 5.254 0.289 -1.410 1.00 60.24 N ATOM 1022 CA GLY A 66 6.015 0.697 -2.588 1.00 1.24 C ATOM 1023 C GLY A 66 6.833 -0.453 -3.175 1.00 44.22 C ATOM 1024 O GLY A 66 6.763 -1.585 -2.691 1.00 0.55 O ATOM 0 H GLY A 66 5.826 0.117 -0.583 1.00 60.24 H new ATOM 0 HA2 GLY A 66 5.331 1.078 -3.346 1.00 1.24 H new ATOM 0 HA3 GLY A 66 6.683 1.516 -2.321 1.00 1.24 H new ATOM 1028 N ALA A 67 7.602 -0.170 -4.226 1.00 62.34 N ATOM 1029 CA ALA A 67 8.512 -1.166 -4.803 1.00 61.34 C ATOM 1030 C ALA A 67 9.743 -1.345 -3.905 1.00 54.42 C ATOM 1031 O ALA A 67 10.284 -2.447 -3.762 1.00 15.11 O ATOM 1032 CB ALA A 67 8.927 -0.753 -6.213 1.00 44.22 C ATOM 0 H ALA A 67 7.615 0.736 -4.695 1.00 62.34 H new ATOM 0 HA ALA A 67 7.991 -2.121 -4.866 1.00 61.34 H new ATOM 0 HB1 ALA A 67 9.602 -1.502 -6.628 1.00 44.22 H new ATOM 0 HB2 ALA A 67 8.042 -0.673 -6.844 1.00 44.22 H new ATOM 0 HB3 ALA A 67 9.434 0.211 -6.175 1.00 44.22 H new ATOM 1038 N GLY A 68 10.178 -0.242 -3.303 1.00 73.20 N ATOM 1039 CA GLY A 68 11.234 -0.281 -2.300 1.00 4.14 C ATOM 1040 C GLY A 68 10.724 0.113 -0.918 1.00 74.11 C ATOM 1041 O GLY A 68 9.707 0.805 -0.795 1.00 21.52 O ATOM 0 H GLY A 68 9.814 0.691 -3.494 1.00 73.20 H new ATOM 0 HA2 GLY A 68 11.657 -1.285 -2.258 1.00 4.14 H new ATOM 0 HA3 GLY A 68 12.039 0.392 -2.595 1.00 4.14 H new ATOM 1045 N ASP A 69 11.423 -0.322 0.125 1.00 65.22 N ATOM 1046 CA ASP A 69 11.030 -0.018 1.503 1.00 43.13 C ATOM 1047 C ASP A 69 11.047 1.502 1.751 1.00 51.42 C ATOM 1048 O ASP A 69 10.174 2.047 2.430 1.00 64.30 O ATOM 1049 CB ASP A 69 11.968 -0.736 2.480 1.00 0.31 C ATOM 1050 CG ASP A 69 11.413 -0.799 3.893 1.00 21.13 C ATOM 1051 OD1 ASP A 69 10.606 -1.708 4.174 1.00 23.14 O ATOM 1052 OD2 ASP A 69 11.789 0.050 4.733 1.00 64.14 O ATOM 0 H ASP A 69 12.268 -0.888 0.045 1.00 65.22 H new ATOM 0 HA ASP A 69 10.012 -0.373 1.666 1.00 43.13 H new ATOM 0 HB2 ASP A 69 12.152 -1.749 2.122 1.00 0.31 H new ATOM 0 HB3 ASP A 69 12.930 -0.224 2.495 1.00 0.31 H new ATOM 1057 N GLU A 70 12.043 2.177 1.175 1.00 2.45 N ATOM 1058 CA GLU A 70 12.151 3.639 1.265 1.00 12.42 C ATOM 1059 C GLU A 70 10.922 4.329 0.650 1.00 33.22 C ATOM 1060 O GLU A 70 10.303 5.190 1.277 1.00 73.02 O ATOM 1061 CB GLU A 70 13.424 4.125 0.561 1.00 2.24 C ATOM 1062 CG GLU A 70 13.612 5.639 0.607 1.00 12.42 C ATOM 1063 CD GLU A 70 14.882 6.094 -0.091 1.00 32.30 C ATOM 1064 OE1 GLU A 70 15.977 5.880 0.470 1.00 73.30 O ATOM 1065 OE2 GLU A 70 14.792 6.668 -1.197 1.00 13.43 O ATOM 0 H GLU A 70 12.790 1.735 0.639 1.00 2.45 H new ATOM 0 HA GLU A 70 12.200 3.903 2.321 1.00 12.42 H new ATOM 0 HB2 GLU A 70 14.288 3.647 1.022 1.00 2.24 H new ATOM 0 HB3 GLU A 70 13.398 3.803 -0.480 1.00 2.24 H new ATOM 0 HG2 GLU A 70 12.753 6.122 0.141 1.00 12.42 H new ATOM 0 HG3 GLU A 70 13.636 5.966 1.646 1.00 12.42 H new ATOM 1072 N GLN A 71 10.575 3.942 -0.581 1.00 5.51 N ATOM 1073 CA GLN A 71 9.388 4.479 -1.263 1.00 2.01 C ATOM 1074 C GLN A 71 8.129 4.261 -0.414 1.00 52.34 C ATOM 1075 O GLN A 71 7.269 5.138 -0.304 1.00 63.15 O ATOM 1076 CB GLN A 71 9.210 3.794 -2.630 1.00 23.33 C ATOM 1077 CG GLN A 71 8.017 4.306 -3.436 1.00 41.15 C ATOM 1078 CD GLN A 71 7.883 3.617 -4.786 1.00 74.40 C ATOM 1079 OE1 GLN A 71 8.253 2.457 -4.945 1.00 23.40 O ATOM 1080 NE2 GLN A 71 7.346 4.319 -5.762 1.00 44.43 N ATOM 0 H GLN A 71 11.098 3.258 -1.128 1.00 5.51 H new ATOM 0 HA GLN A 71 9.533 5.549 -1.408 1.00 2.01 H new ATOM 0 HB2 GLN A 71 10.118 3.936 -3.216 1.00 23.33 H new ATOM 0 HB3 GLN A 71 9.096 2.721 -2.474 1.00 23.33 H new ATOM 0 HG2 GLN A 71 7.103 4.153 -2.862 1.00 41.15 H new ATOM 0 HG3 GLN A 71 8.121 5.380 -3.589 1.00 41.15 H new ATOM 0 HE21 GLN A 71 7.049 5.281 -5.595 1.00 44.43 H new ATOM 0 HE22 GLN A 71 7.227 3.901 -6.685 1.00 44.43 H new ATOM 1089 N THR A 72 8.044 3.078 0.189 1.00 65.41 N ATOM 1090 CA THR A 72 6.929 2.721 1.071 1.00 74.02 C ATOM 1091 C THR A 72 6.802 3.703 2.249 1.00 23.31 C ATOM 1092 O THR A 72 5.748 4.309 2.454 1.00 64.21 O ATOM 1093 CB THR A 72 7.109 1.281 1.619 1.00 1.11 C ATOM 1094 OG1 THR A 72 7.230 0.350 0.530 1.00 71.15 O ATOM 1095 CG2 THR A 72 5.944 0.867 2.509 1.00 45.31 C ATOM 0 H THR A 72 8.741 2.341 0.083 1.00 65.41 H new ATOM 0 HA THR A 72 6.017 2.775 0.477 1.00 74.02 H new ATOM 0 HB THR A 72 8.018 1.271 2.220 1.00 1.11 H new ATOM 0 HG1 THR A 72 8.094 0.478 0.085 1.00 71.15 H new ATOM 0 HG21 THR A 72 6.107 -0.147 2.873 1.00 45.31 H new ATOM 0 HG22 THR A 72 5.873 1.550 3.356 1.00 45.31 H new ATOM 0 HG23 THR A 72 5.018 0.902 1.936 1.00 45.31 H new ATOM 1103 N SER A 73 7.889 3.881 3.001 1.00 24.32 N ATOM 1104 CA SER A 73 7.889 4.774 4.175 1.00 11.45 C ATOM 1105 C SER A 73 7.671 6.246 3.780 1.00 51.43 C ATOM 1106 O SER A 73 6.988 6.996 4.482 1.00 63.41 O ATOM 1107 CB SER A 73 9.212 4.644 4.944 1.00 72.13 C ATOM 1108 OG SER A 73 9.463 3.299 5.323 1.00 43.44 O ATOM 0 H SER A 73 8.783 3.422 2.824 1.00 24.32 H new ATOM 0 HA SER A 73 7.059 4.467 4.811 1.00 11.45 H new ATOM 0 HB2 SER A 73 10.032 5.008 4.324 1.00 72.13 H new ATOM 0 HB3 SER A 73 9.181 5.274 5.833 1.00 72.13 H new ATOM 0 HG SER A 73 9.698 2.774 4.530 1.00 43.44 H new ATOM 1114 N GLN A 74 8.249 6.649 2.647 1.00 4.52 N ATOM 1115 CA GLN A 74 8.161 8.022 2.165 1.00 51.14 C ATOM 1116 C GLN A 74 6.712 8.397 1.806 1.00 72.12 C ATOM 1117 O GLN A 74 6.213 9.452 2.201 1.00 1.23 O ATOM 1118 CB GLN A 74 9.100 8.175 0.954 1.00 1.21 C ATOM 1119 CG GLN A 74 8.772 9.343 0.044 1.00 70.12 C ATOM 1120 CD GLN A 74 9.770 9.510 -1.096 1.00 65.22 C ATOM 1121 OE1 GLN A 74 11.023 9.171 -0.850 1.00 53.32 O flip ATOM 1122 NE2 GLN A 74 9.422 9.962 -2.187 1.00 63.34 N flip ATOM 0 H GLN A 74 8.790 6.032 2.041 1.00 4.52 H new ATOM 0 HA GLN A 74 8.472 8.707 2.954 1.00 51.14 H new ATOM 0 HB2 GLN A 74 10.122 8.289 1.316 1.00 1.21 H new ATOM 0 HB3 GLN A 74 9.070 7.256 0.369 1.00 1.21 H new ATOM 0 HG2 GLN A 74 7.774 9.203 -0.372 1.00 70.12 H new ATOM 0 HG3 GLN A 74 8.746 10.259 0.634 1.00 70.12 H new ATOM 0 HE21 GLN A 74 8.447 10.215 -2.347 1.00 63.34 H new ATOM 0 HE22 GLN A 74 10.109 10.084 -2.931 1.00 63.34 H new ATOM 1131 N ALA A 75 6.040 7.518 1.068 1.00 2.43 N ATOM 1132 CA ALA A 75 4.627 7.715 0.724 1.00 72.52 C ATOM 1133 C ALA A 75 3.747 7.806 1.983 1.00 3.11 C ATOM 1134 O ALA A 75 2.863 8.663 2.080 1.00 11.14 O ATOM 1135 CB ALA A 75 4.153 6.583 -0.171 1.00 31.01 C ATOM 0 H ALA A 75 6.447 6.661 0.695 1.00 2.43 H new ATOM 0 HA ALA A 75 4.536 8.661 0.190 1.00 72.52 H new ATOM 0 HB1 ALA A 75 3.103 6.734 -0.424 1.00 31.01 H new ATOM 0 HB2 ALA A 75 4.747 6.568 -1.084 1.00 31.01 H new ATOM 0 HB3 ALA A 75 4.267 5.633 0.352 1.00 31.01 H new ATOM 1141 N VAL A 76 3.990 6.913 2.943 1.00 34.32 N ATOM 1142 CA VAL A 76 3.295 6.947 4.238 1.00 53.30 C ATOM 1143 C VAL A 76 3.439 8.321 4.917 1.00 53.43 C ATOM 1144 O VAL A 76 2.472 8.859 5.468 1.00 32.03 O ATOM 1145 CB VAL A 76 3.821 5.841 5.187 1.00 71.43 C ATOM 1146 CG1 VAL A 76 3.219 5.972 6.587 1.00 24.53 C ATOM 1147 CG2 VAL A 76 3.529 4.461 4.607 1.00 32.32 C ATOM 0 H VAL A 76 4.665 6.153 2.851 1.00 34.32 H new ATOM 0 HA VAL A 76 2.239 6.766 4.037 1.00 53.30 H new ATOM 0 HB VAL A 76 4.900 5.964 5.277 1.00 71.43 H new ATOM 0 HG11 VAL A 76 3.610 5.180 7.227 1.00 24.53 H new ATOM 0 HG12 VAL A 76 3.484 6.942 7.008 1.00 24.53 H new ATOM 0 HG13 VAL A 76 2.134 5.887 6.526 1.00 24.53 H new ATOM 0 HG21 VAL A 76 3.904 3.695 5.285 1.00 32.32 H new ATOM 0 HG22 VAL A 76 2.453 4.339 4.482 1.00 32.32 H new ATOM 0 HG23 VAL A 76 4.020 4.362 3.639 1.00 32.32 H new ATOM 1157 N ASN A 77 4.645 8.888 4.863 1.00 3.03 N ATOM 1158 CA ASN A 77 4.898 10.231 5.401 1.00 52.14 C ATOM 1159 C ASN A 77 3.967 11.261 4.754 1.00 3.45 C ATOM 1160 O ASN A 77 3.364 12.094 5.430 1.00 1.15 O ATOM 1161 CB ASN A 77 6.349 10.646 5.142 1.00 51.34 C ATOM 1162 CG ASN A 77 6.727 11.919 5.880 1.00 33.43 C ATOM 1163 OD1 ASN A 77 6.237 12.182 6.976 1.00 51.30 O ATOM 1164 ND2 ASN A 77 7.581 12.725 5.285 1.00 64.30 N ATOM 0 H ASN A 77 5.464 8.440 4.452 1.00 3.03 H new ATOM 0 HA ASN A 77 4.710 10.198 6.474 1.00 52.14 H new ATOM 0 HB2 ASN A 77 7.015 9.840 5.449 1.00 51.34 H new ATOM 0 HB3 ASN A 77 6.497 10.792 4.072 1.00 51.34 H new ATOM 0 HD21 ASN A 77 7.855 13.599 5.734 1.00 64.30 H new ATOM 0 HD22 ASN A 77 7.969 12.476 4.375 1.00 64.30 H new ATOM 1171 N LEU A 78 3.866 11.181 3.435 1.00 44.03 N ATOM 1172 CA LEU A 78 3.047 12.097 2.642 1.00 2.02 C ATOM 1173 C LEU A 78 1.555 11.995 3.001 1.00 41.05 C ATOM 1174 O LEU A 78 0.859 13.008 3.094 1.00 4.31 O ATOM 1175 CB LEU A 78 3.284 11.793 1.160 1.00 4.21 C ATOM 1176 CG LEU A 78 4.754 11.916 0.724 1.00 42.34 C ATOM 1177 CD1 LEU A 78 4.984 11.263 -0.633 1.00 24.23 C ATOM 1178 CD2 LEU A 78 5.194 13.380 0.703 1.00 34.02 C ATOM 0 H LEU A 78 4.351 10.477 2.879 1.00 44.03 H new ATOM 0 HA LEU A 78 3.341 13.123 2.863 1.00 2.02 H new ATOM 0 HB2 LEU A 78 2.936 10.782 0.947 1.00 4.21 H new ATOM 0 HB3 LEU A 78 2.679 12.472 0.559 1.00 4.21 H new ATOM 0 HG LEU A 78 5.363 11.387 1.456 1.00 42.34 H new ATOM 0 HD11 LEU A 78 6.032 11.367 -0.914 1.00 24.23 H new ATOM 0 HD12 LEU A 78 4.726 10.205 -0.576 1.00 24.23 H new ATOM 0 HD13 LEU A 78 4.358 11.749 -1.381 1.00 24.23 H new ATOM 0 HD21 LEU A 78 6.237 13.442 0.392 1.00 34.02 H new ATOM 0 HD22 LEU A 78 4.572 13.937 0.002 1.00 34.02 H new ATOM 0 HD23 LEU A 78 5.087 13.806 1.700 1.00 34.02 H new ATOM 1190 N LEU A 79 1.070 10.774 3.222 1.00 31.54 N ATOM 1191 CA LEU A 79 -0.329 10.559 3.614 1.00 41.11 C ATOM 1192 C LEU A 79 -0.617 11.080 5.033 1.00 53.43 C ATOM 1193 O LEU A 79 -1.564 11.841 5.235 1.00 21.33 O ATOM 1194 CB LEU A 79 -0.706 9.075 3.507 1.00 74.03 C ATOM 1195 CG LEU A 79 -0.835 8.545 2.071 1.00 34.02 C ATOM 1196 CD1 LEU A 79 -1.216 7.068 2.071 1.00 1.12 C ATOM 1197 CD2 LEU A 79 -1.854 9.369 1.283 1.00 63.22 C ATOM 0 H LEU A 79 1.620 9.919 3.138 1.00 31.54 H new ATOM 0 HA LEU A 79 -0.945 11.130 2.920 1.00 41.11 H new ATOM 0 HB2 LEU A 79 0.046 8.485 4.031 1.00 74.03 H new ATOM 0 HB3 LEU A 79 -1.652 8.917 4.024 1.00 74.03 H new ATOM 0 HG LEU A 79 0.134 8.643 1.582 1.00 34.02 H new ATOM 0 HD11 LEU A 79 -1.302 6.714 1.044 1.00 1.12 H new ATOM 0 HD12 LEU A 79 -0.448 6.494 2.589 1.00 1.12 H new ATOM 0 HD13 LEU A 79 -2.171 6.939 2.580 1.00 1.12 H new ATOM 0 HD21 LEU A 79 -1.931 8.978 0.268 1.00 63.22 H new ATOM 0 HD22 LEU A 79 -2.827 9.307 1.771 1.00 63.22 H new ATOM 0 HD23 LEU A 79 -1.531 10.409 1.247 1.00 63.22 H new ATOM 1209 N ARG A 80 0.192 10.678 6.016 1.00 30.51 N ATOM 1210 CA ARG A 80 0.014 11.177 7.388 1.00 2.53 C ATOM 1211 C ARG A 80 0.182 12.710 7.434 1.00 42.24 C ATOM 1212 O ARG A 80 -0.477 13.395 8.222 1.00 12.34 O ATOM 1213 CB ARG A 80 0.983 10.493 8.371 1.00 61.44 C ATOM 1214 CG ARG A 80 2.456 10.776 8.104 1.00 44.31 C ATOM 1215 CD ARG A 80 3.363 10.208 9.194 1.00 42.43 C ATOM 1216 NE ARG A 80 3.310 8.745 9.274 1.00 61.22 N ATOM 1217 CZ ARG A 80 4.350 7.985 9.504 1.00 1.31 C ATOM 1218 NH1 ARG A 80 5.528 8.501 9.649 1.00 1.30 N ATOM 1219 NH2 ARG A 80 4.204 6.703 9.593 1.00 35.34 N ATOM 0 H ARG A 80 0.963 10.021 5.896 1.00 30.51 H new ATOM 0 HA ARG A 80 -1.000 10.929 7.701 1.00 2.53 H new ATOM 0 HB2 ARG A 80 0.742 10.816 9.384 1.00 61.44 H new ATOM 0 HB3 ARG A 80 0.820 9.416 8.332 1.00 61.44 H new ATOM 0 HG2 ARG A 80 2.737 10.349 7.142 1.00 44.31 H new ATOM 0 HG3 ARG A 80 2.609 11.853 8.032 1.00 44.31 H new ATOM 0 HD2 ARG A 80 4.390 10.520 9.004 1.00 42.43 H new ATOM 0 HD3 ARG A 80 3.075 10.630 10.157 1.00 42.43 H new ATOM 0 HE ARG A 80 2.406 8.291 9.142 1.00 61.22 H new ATOM 0 HH11 ARG A 80 5.654 9.511 9.584 1.00 1.30 H new ATOM 0 HH12 ARG A 80 6.331 7.898 9.828 1.00 1.30 H new ATOM 0 HH21 ARG A 80 3.279 6.286 9.484 1.00 35.34 H new ATOM 0 HH22 ARG A 80 5.013 6.109 9.772 1.00 35.34 H new ATOM 1233 N SER A 81 1.056 13.246 6.573 1.00 62.41 N ATOM 1234 CA SER A 81 1.199 14.703 6.421 1.00 73.33 C ATOM 1235 C SER A 81 -0.085 15.325 5.839 1.00 22.30 C ATOM 1236 O SER A 81 -0.433 16.467 6.151 1.00 73.40 O ATOM 1237 CB SER A 81 2.396 15.041 5.517 1.00 32.34 C ATOM 1238 OG SER A 81 2.592 16.446 5.413 1.00 35.54 O ATOM 0 H SER A 81 1.673 12.698 5.973 1.00 62.41 H new ATOM 0 HA SER A 81 1.374 15.124 7.411 1.00 73.33 H new ATOM 0 HB2 SER A 81 3.297 14.576 5.916 1.00 32.34 H new ATOM 0 HB3 SER A 81 2.233 14.621 4.524 1.00 32.34 H new ATOM 0 HG SER A 81 3.361 16.627 4.833 1.00 35.54 H new ATOM 1244 N ALA A 82 -0.791 14.560 5.002 1.00 22.44 N ATOM 1245 CA ALA A 82 -2.072 14.999 4.425 1.00 72.24 C ATOM 1246 C ALA A 82 -3.235 14.840 5.426 1.00 22.54 C ATOM 1247 O ALA A 82 -4.396 15.090 5.094 1.00 72.52 O ATOM 1248 CB ALA A 82 -2.368 14.221 3.142 1.00 73.13 C ATOM 0 H ALA A 82 -0.498 13.629 4.706 1.00 22.44 H new ATOM 0 HA ALA A 82 -1.982 16.059 4.190 1.00 72.24 H new ATOM 0 HB1 ALA A 82 -3.318 14.555 2.725 1.00 73.13 H new ATOM 0 HB2 ALA A 82 -1.572 14.397 2.418 1.00 73.13 H new ATOM 0 HB3 ALA A 82 -2.425 13.156 3.367 1.00 73.13 H new ATOM 1254 N GLY A 83 -2.921 14.408 6.649 1.00 34.05 N ATOM 1255 CA GLY A 83 -3.932 14.307 7.700 1.00 32.24 C ATOM 1256 C GLY A 83 -4.312 12.875 8.057 1.00 31.33 C ATOM 1257 O GLY A 83 -4.868 12.627 9.130 1.00 21.55 O ATOM 0 H GLY A 83 -1.983 14.125 6.933 1.00 34.05 H new ATOM 0 HA2 GLY A 83 -3.563 14.808 8.595 1.00 32.24 H new ATOM 0 HA3 GLY A 83 -4.827 14.841 7.382 1.00 32.24 H new ATOM 1261 N PHE A 84 -4.027 11.935 7.158 1.00 0.10 N ATOM 1262 CA PHE A 84 -4.411 10.530 7.352 1.00 70.04 C ATOM 1263 C PHE A 84 -3.876 9.957 8.679 1.00 25.33 C ATOM 1264 O PHE A 84 -2.678 9.722 8.840 1.00 1.24 O ATOM 1265 CB PHE A 84 -3.940 9.673 6.171 1.00 44.41 C ATOM 1266 CG PHE A 84 -4.670 9.953 4.874 1.00 10.33 C ATOM 1267 CD1 PHE A 84 -4.207 10.918 3.992 1.00 62.13 C ATOM 1268 CD2 PHE A 84 -5.815 9.242 4.537 1.00 64.40 C ATOM 1269 CE1 PHE A 84 -4.870 11.171 2.808 1.00 61.23 C ATOM 1270 CE2 PHE A 84 -6.480 9.494 3.352 1.00 0.40 C ATOM 1271 CZ PHE A 84 -6.007 10.459 2.488 1.00 73.30 C ATOM 0 H PHE A 84 -3.531 12.117 6.286 1.00 0.10 H new ATOM 0 HA PHE A 84 -5.499 10.500 7.401 1.00 70.04 H new ATOM 0 HB2 PHE A 84 -2.874 9.839 6.018 1.00 44.41 H new ATOM 0 HB3 PHE A 84 -4.066 8.621 6.426 1.00 44.41 H new ATOM 0 HD1 PHE A 84 -3.316 11.479 4.235 1.00 62.13 H new ATOM 0 HD2 PHE A 84 -6.190 8.484 5.209 1.00 64.40 H new ATOM 0 HE1 PHE A 84 -4.498 11.927 2.132 1.00 61.23 H new ATOM 0 HE2 PHE A 84 -7.370 8.935 3.103 1.00 0.40 H new ATOM 0 HZ PHE A 84 -6.526 10.657 1.562 1.00 73.30 H new ATOM 1281 N GLU A 85 -4.795 9.743 9.619 1.00 44.14 N ATOM 1282 CA GLU A 85 -4.474 9.206 10.944 1.00 4.41 C ATOM 1283 C GLU A 85 -3.965 7.756 10.876 1.00 24.41 C ATOM 1284 O GLU A 85 -2.868 7.444 11.339 1.00 33.24 O ATOM 1285 CB GLU A 85 -5.727 9.254 11.838 1.00 73.11 C ATOM 1286 CG GLU A 85 -6.259 10.660 12.101 1.00 11.32 C ATOM 1287 CD GLU A 85 -7.410 10.670 13.097 1.00 2.45 C ATOM 1288 OE1 GLU A 85 -8.519 10.212 12.741 1.00 64.24 O ATOM 1289 OE2 GLU A 85 -7.207 11.118 14.246 1.00 30.44 O ATOM 0 H GLU A 85 -5.787 9.937 9.484 1.00 44.14 H new ATOM 0 HA GLU A 85 -3.679 9.824 11.361 1.00 4.41 H new ATOM 0 HB2 GLU A 85 -6.514 8.662 11.372 1.00 73.11 H new ATOM 0 HB3 GLU A 85 -5.496 8.781 12.793 1.00 73.11 H new ATOM 0 HG2 GLU A 85 -5.451 11.286 12.478 1.00 11.32 H new ATOM 0 HG3 GLU A 85 -6.592 11.101 11.161 1.00 11.32 H new ATOM 1296 N HIS A 86 -4.778 6.870 10.301 1.00 5.42 N ATOM 1297 CA HIS A 86 -4.480 5.431 10.314 1.00 14.14 C ATOM 1298 C HIS A 86 -3.739 4.985 9.045 1.00 34.03 C ATOM 1299 O HIS A 86 -4.338 4.432 8.131 1.00 51.05 O ATOM 1300 CB HIS A 86 -5.776 4.621 10.474 1.00 64.23 C ATOM 1301 CG HIS A 86 -6.558 4.941 11.716 1.00 23.54 C ATOM 1302 ND1 HIS A 86 -7.573 4.141 12.194 1.00 71.41 N ATOM 1303 CD2 HIS A 86 -6.482 5.988 12.574 1.00 51.34 C ATOM 1304 CE1 HIS A 86 -8.083 4.682 13.282 1.00 15.31 C ATOM 1305 NE2 HIS A 86 -7.439 5.797 13.532 1.00 34.44 N ATOM 0 H HIS A 86 -5.644 7.117 9.822 1.00 5.42 H new ATOM 0 HA HIS A 86 -3.824 5.243 11.164 1.00 14.14 H new ATOM 0 HB2 HIS A 86 -6.410 4.797 9.605 1.00 64.23 H new ATOM 0 HB3 HIS A 86 -5.529 3.559 10.478 1.00 64.23 H new ATOM 0 HD1 HIS A 86 -7.882 3.266 11.771 1.00 71.41 H new ATOM 0 HD2 HIS A 86 -5.794 6.818 12.512 1.00 51.34 H new ATOM 0 HE1 HIS A 86 -8.894 4.276 13.869 1.00 15.31 H new ATOM 1314 N VAL A 87 -2.435 5.237 8.988 1.00 32.44 N ATOM 1315 CA VAL A 87 -1.612 4.785 7.857 1.00 45.44 C ATOM 1316 C VAL A 87 -0.431 3.936 8.341 1.00 25.01 C ATOM 1317 O VAL A 87 0.281 4.320 9.272 1.00 44.44 O ATOM 1318 CB VAL A 87 -1.075 5.975 7.019 1.00 20.21 C ATOM 1319 CG1 VAL A 87 -0.241 5.480 5.836 1.00 44.51 C ATOM 1320 CG2 VAL A 87 -2.227 6.845 6.532 1.00 72.25 C ATOM 0 H VAL A 87 -1.922 5.749 9.705 1.00 32.44 H new ATOM 0 HA VAL A 87 -2.260 4.179 7.223 1.00 45.44 H new ATOM 0 HB VAL A 87 -0.430 6.577 7.659 1.00 20.21 H new ATOM 0 HG11 VAL A 87 0.123 6.334 5.265 1.00 44.51 H new ATOM 0 HG12 VAL A 87 0.606 4.902 6.205 1.00 44.51 H new ATOM 0 HG13 VAL A 87 -0.858 4.851 5.194 1.00 44.51 H new ATOM 0 HG21 VAL A 87 -1.833 7.675 5.946 1.00 72.25 H new ATOM 0 HG22 VAL A 87 -2.897 6.249 5.912 1.00 72.25 H new ATOM 0 HG23 VAL A 87 -2.776 7.234 7.389 1.00 72.25 H new ATOM 1330 N SER A 88 -0.228 2.783 7.706 1.00 72.41 N ATOM 1331 CA SER A 88 0.876 1.882 8.070 1.00 43.52 C ATOM 1332 C SER A 88 1.698 1.486 6.841 1.00 22.13 C ATOM 1333 O SER A 88 1.151 1.271 5.757 1.00 72.24 O ATOM 1334 CB SER A 88 0.345 0.616 8.759 1.00 51.30 C ATOM 1335 OG SER A 88 -0.398 -0.196 7.859 1.00 1.04 O ATOM 0 H SER A 88 -0.809 2.447 6.938 1.00 72.41 H new ATOM 0 HA SER A 88 1.520 2.423 8.763 1.00 43.52 H new ATOM 0 HB2 SER A 88 1.180 0.043 9.163 1.00 51.30 H new ATOM 0 HB3 SER A 88 -0.286 0.897 9.602 1.00 51.30 H new ATOM 0 HG SER A 88 -0.289 -1.139 8.103 1.00 1.04 H new ATOM 1341 N GLU A 89 3.013 1.398 7.013 1.00 31.41 N ATOM 1342 CA GLU A 89 3.914 0.993 5.931 1.00 72.22 C ATOM 1343 C GLU A 89 4.081 -0.534 5.890 1.00 54.11 C ATOM 1344 O GLU A 89 4.389 -1.166 6.904 1.00 63.41 O ATOM 1345 CB GLU A 89 5.285 1.673 6.095 1.00 74.05 C ATOM 1346 CG GLU A 89 5.922 1.455 7.462 1.00 30.15 C ATOM 1347 CD GLU A 89 7.286 2.113 7.594 1.00 72.40 C ATOM 1348 OE1 GLU A 89 7.351 3.309 7.946 1.00 1.23 O ATOM 1349 OE2 GLU A 89 8.305 1.435 7.353 1.00 63.03 O ATOM 0 H GLU A 89 3.484 1.602 7.895 1.00 31.41 H new ATOM 0 HA GLU A 89 3.471 1.311 4.987 1.00 72.22 H new ATOM 0 HB2 GLU A 89 5.960 1.297 5.326 1.00 74.05 H new ATOM 0 HB3 GLU A 89 5.172 2.744 5.924 1.00 74.05 H new ATOM 0 HG2 GLU A 89 5.259 1.848 8.232 1.00 30.15 H new ATOM 0 HG3 GLU A 89 6.022 0.385 7.644 1.00 30.15 H new ATOM 1356 N LEU A 90 3.866 -1.123 4.718 1.00 63.11 N ATOM 1357 CA LEU A 90 4.045 -2.564 4.534 1.00 10.11 C ATOM 1358 C LEU A 90 5.536 -2.905 4.388 1.00 43.53 C ATOM 1359 O LEU A 90 6.137 -2.679 3.336 1.00 51.54 O ATOM 1360 CB LEU A 90 3.266 -3.051 3.300 1.00 61.14 C ATOM 1361 CG LEU A 90 3.231 -4.577 3.102 1.00 30.04 C ATOM 1362 CD1 LEU A 90 2.534 -5.254 4.280 1.00 34.15 C ATOM 1363 CD2 LEU A 90 2.543 -4.938 1.784 1.00 44.25 C ATOM 0 H LEU A 90 3.567 -0.626 3.879 1.00 63.11 H new ATOM 0 HA LEU A 90 3.655 -3.073 5.415 1.00 10.11 H new ATOM 0 HB2 LEU A 90 2.241 -2.687 3.371 1.00 61.14 H new ATOM 0 HB3 LEU A 90 3.704 -2.596 2.412 1.00 61.14 H new ATOM 0 HG LEU A 90 4.258 -4.940 3.057 1.00 30.04 H new ATOM 0 HD11 LEU A 90 2.519 -6.332 4.123 1.00 34.15 H new ATOM 0 HD12 LEU A 90 3.073 -5.029 5.200 1.00 34.15 H new ATOM 0 HD13 LEU A 90 1.512 -4.884 4.359 1.00 34.15 H new ATOM 0 HD21 LEU A 90 2.530 -6.021 1.665 1.00 44.25 H new ATOM 0 HD22 LEU A 90 1.520 -4.561 1.792 1.00 44.25 H new ATOM 0 HD23 LEU A 90 3.088 -4.489 0.954 1.00 44.25 H new ATOM 1375 N LYS A 91 6.123 -3.441 5.456 1.00 24.02 N ATOM 1376 CA LYS A 91 7.558 -3.749 5.492 1.00 72.53 C ATOM 1377 C LYS A 91 7.986 -4.670 4.338 1.00 51.45 C ATOM 1378 O LYS A 91 7.479 -5.783 4.182 1.00 4.45 O ATOM 1379 CB LYS A 91 7.930 -4.370 6.849 1.00 0.23 C ATOM 1380 CG LYS A 91 7.911 -3.382 8.023 1.00 52.22 C ATOM 1381 CD LYS A 91 9.229 -2.610 8.166 1.00 44.34 C ATOM 1382 CE LYS A 91 9.444 -1.597 7.047 1.00 41.04 C ATOM 1383 NZ LYS A 91 10.773 -0.940 7.131 1.00 73.24 N ATOM 0 H LYS A 91 5.626 -3.674 6.316 1.00 24.02 H new ATOM 0 HA LYS A 91 8.099 -2.811 5.365 1.00 72.53 H new ATOM 0 HB2 LYS A 91 7.239 -5.185 7.064 1.00 0.23 H new ATOM 0 HB3 LYS A 91 8.925 -4.808 6.774 1.00 0.23 H new ATOM 0 HG2 LYS A 91 7.093 -2.675 7.885 1.00 52.22 H new ATOM 0 HG3 LYS A 91 7.710 -3.925 8.947 1.00 52.22 H new ATOM 0 HD2 LYS A 91 9.240 -2.093 9.125 1.00 44.34 H new ATOM 0 HD3 LYS A 91 10.059 -3.316 8.175 1.00 44.34 H new ATOM 0 HE2 LYS A 91 9.349 -2.097 6.083 1.00 41.04 H new ATOM 0 HE3 LYS A 91 8.662 -0.838 7.091 1.00 41.04 H new ATOM 0 HZ1 LYS A 91 10.937 -0.377 6.272 1.00 73.24 H new ATOM 0 HZ2 LYS A 91 10.801 -0.318 7.964 1.00 73.24 H new ATOM 0 HZ3 LYS A 91 11.514 -1.665 7.216 1.00 73.24 H new ATOM 1397 N GLY A 92 8.923 -4.181 3.529 1.00 71.35 N ATOM 1398 CA GLY A 92 9.409 -4.942 2.379 1.00 71.44 C ATOM 1399 C GLY A 92 8.741 -4.549 1.058 1.00 54.33 C ATOM 1400 O GLY A 92 9.336 -4.696 -0.013 1.00 40.30 O ATOM 0 H GLY A 92 9.359 -3.267 3.647 1.00 71.35 H new ATOM 0 HA2 GLY A 92 10.486 -4.800 2.288 1.00 71.44 H new ATOM 0 HA3 GLY A 92 9.242 -6.004 2.559 1.00 71.44 H new ATOM 1404 N GLY A 93 7.505 -4.057 1.130 1.00 74.54 N ATOM 1405 CA GLY A 93 6.781 -3.652 -0.074 1.00 74.15 C ATOM 1406 C GLY A 93 6.153 -4.822 -0.834 1.00 12.23 C ATOM 1407 O GLY A 93 5.864 -5.873 -0.254 1.00 73.55 O ATOM 0 H GLY A 93 6.988 -3.930 2.000 1.00 74.54 H new ATOM 0 HA2 GLY A 93 5.997 -2.947 0.203 1.00 74.15 H new ATOM 0 HA3 GLY A 93 7.465 -3.123 -0.738 1.00 74.15 H new ATOM 1411 N LEU A 94 5.950 -4.644 -2.142 1.00 40.10 N ATOM 1412 CA LEU A 94 5.310 -5.672 -2.975 1.00 64.24 C ATOM 1413 C LEU A 94 6.144 -6.961 -3.034 1.00 41.41 C ATOM 1414 O LEU A 94 5.604 -8.065 -2.948 1.00 40.31 O ATOM 1415 CB LEU A 94 5.070 -5.143 -4.396 1.00 64.04 C ATOM 1416 CG LEU A 94 4.352 -6.123 -5.344 1.00 21.51 C ATOM 1417 CD1 LEU A 94 2.938 -6.430 -4.853 1.00 12.34 C ATOM 1418 CD2 LEU A 94 4.326 -5.580 -6.768 1.00 52.11 C ATOM 0 H LEU A 94 6.218 -3.800 -2.649 1.00 40.10 H new ATOM 0 HA LEU A 94 4.352 -5.911 -2.512 1.00 64.24 H new ATOM 0 HB2 LEU A 94 4.483 -4.227 -4.332 1.00 64.04 H new ATOM 0 HB3 LEU A 94 6.031 -4.875 -4.835 1.00 64.04 H new ATOM 0 HG LEU A 94 4.914 -7.057 -5.347 1.00 21.51 H new ATOM 0 HD11 LEU A 94 2.456 -7.124 -5.542 1.00 12.34 H new ATOM 0 HD12 LEU A 94 2.987 -6.879 -3.861 1.00 12.34 H new ATOM 0 HD13 LEU A 94 2.361 -5.507 -4.805 1.00 12.34 H new ATOM 0 HD21 LEU A 94 3.814 -6.289 -7.419 1.00 52.11 H new ATOM 0 HD22 LEU A 94 3.798 -4.626 -6.784 1.00 52.11 H new ATOM 0 HD23 LEU A 94 5.347 -5.436 -7.121 1.00 52.11 H new ATOM 1430 N ALA A 95 7.457 -6.818 -3.195 1.00 53.41 N ATOM 1431 CA ALA A 95 8.371 -7.966 -3.219 1.00 2.14 C ATOM 1432 C ALA A 95 8.188 -8.865 -1.986 1.00 31.14 C ATOM 1433 O ALA A 95 8.275 -10.087 -2.084 1.00 4.12 O ATOM 1434 CB ALA A 95 9.815 -7.491 -3.316 1.00 43.42 C ATOM 0 H ALA A 95 7.917 -5.915 -3.312 1.00 53.41 H new ATOM 0 HA ALA A 95 8.130 -8.560 -4.100 1.00 2.14 H new ATOM 0 HB1 ALA A 95 10.481 -8.353 -3.333 1.00 43.42 H new ATOM 0 HB2 ALA A 95 9.947 -6.912 -4.230 1.00 43.42 H new ATOM 0 HB3 ALA A 95 10.051 -6.867 -2.454 1.00 43.42 H new ATOM 1440 N ALA A 96 7.928 -8.255 -0.829 1.00 11.54 N ATOM 1441 CA ALA A 96 7.660 -9.014 0.400 1.00 3.11 C ATOM 1442 C ALA A 96 6.332 -9.780 0.289 1.00 3.33 C ATOM 1443 O ALA A 96 6.260 -10.976 0.582 1.00 2.43 O ATOM 1444 CB ALA A 96 7.642 -8.080 1.608 1.00 55.41 C ATOM 0 H ALA A 96 7.897 -7.242 -0.714 1.00 11.54 H new ATOM 0 HA ALA A 96 8.460 -9.741 0.536 1.00 3.11 H new ATOM 0 HB1 ALA A 96 7.442 -8.657 2.511 1.00 55.41 H new ATOM 0 HB2 ALA A 96 8.609 -7.585 1.700 1.00 55.41 H new ATOM 0 HB3 ALA A 96 6.862 -7.330 1.477 1.00 55.41 H new ATOM 1450 N TRP A 97 5.290 -9.082 -0.160 1.00 51.54 N ATOM 1451 CA TRP A 97 3.971 -9.689 -0.387 1.00 5.33 C ATOM 1452 C TRP A 97 4.071 -10.887 -1.345 1.00 4.32 C ATOM 1453 O TRP A 97 3.417 -11.915 -1.160 1.00 41.45 O ATOM 1454 CB TRP A 97 3.021 -8.638 -0.974 1.00 21.32 C ATOM 1455 CG TRP A 97 1.613 -9.128 -1.168 1.00 64.44 C ATOM 1456 CD1 TRP A 97 1.083 -9.706 -2.289 1.00 34.42 C ATOM 1457 CD2 TRP A 97 0.552 -9.067 -0.211 1.00 75.44 C ATOM 1458 NE1 TRP A 97 -0.239 -10.015 -2.079 1.00 73.55 N ATOM 1459 CE2 TRP A 97 -0.588 -9.628 -0.813 1.00 42.32 C ATOM 1460 CE3 TRP A 97 0.461 -8.592 1.099 1.00 74.45 C ATOM 1461 CZ2 TRP A 97 -1.807 -9.724 -0.149 1.00 54.13 C ATOM 1462 CZ3 TRP A 97 -0.749 -8.690 1.756 1.00 54.43 C ATOM 1463 CH2 TRP A 97 -1.869 -9.251 1.132 1.00 11.43 C ATOM 0 H TRP A 97 5.331 -8.086 -0.377 1.00 51.54 H new ATOM 0 HA TRP A 97 3.586 -10.047 0.568 1.00 5.33 H new ATOM 0 HB2 TRP A 97 3.005 -7.769 -0.316 1.00 21.32 H new ATOM 0 HB3 TRP A 97 3.414 -8.303 -1.934 1.00 21.32 H new ATOM 0 HD1 TRP A 97 1.624 -9.892 -3.205 1.00 34.42 H new ATOM 0 HE1 TRP A 97 -0.859 -10.460 -2.756 1.00 73.55 H new ATOM 0 HE3 TRP A 97 1.320 -8.157 1.588 1.00 74.45 H new ATOM 0 HZ2 TRP A 97 -2.673 -10.157 -0.628 1.00 54.13 H new ATOM 0 HZ3 TRP A 97 -0.833 -8.327 2.770 1.00 54.43 H new ATOM 0 HH2 TRP A 97 -2.801 -9.311 1.674 1.00 11.43 H new ATOM 1474 N LYS A 98 4.899 -10.741 -2.368 1.00 63.40 N ATOM 1475 CA LYS A 98 5.092 -11.786 -3.373 1.00 12.32 C ATOM 1476 C LYS A 98 6.004 -12.916 -2.861 1.00 3.03 C ATOM 1477 O LYS A 98 5.758 -14.093 -3.126 1.00 30.42 O ATOM 1478 CB LYS A 98 5.675 -11.158 -4.645 1.00 3.51 C ATOM 1479 CG LYS A 98 4.703 -10.224 -5.366 1.00 12.52 C ATOM 1480 CD LYS A 98 5.381 -9.401 -6.466 1.00 3.23 C ATOM 1481 CE LYS A 98 6.326 -10.238 -7.321 1.00 20.32 C ATOM 1482 NZ LYS A 98 6.650 -9.574 -8.613 1.00 73.32 N ATOM 0 H LYS A 98 5.455 -9.901 -2.528 1.00 63.40 H new ATOM 0 HA LYS A 98 4.123 -12.235 -3.592 1.00 12.32 H new ATOM 0 HB2 LYS A 98 6.576 -10.602 -4.386 1.00 3.51 H new ATOM 0 HB3 LYS A 98 5.976 -11.953 -5.328 1.00 3.51 H new ATOM 0 HG2 LYS A 98 3.896 -10.813 -5.803 1.00 12.52 H new ATOM 0 HG3 LYS A 98 4.248 -9.549 -4.641 1.00 12.52 H new ATOM 0 HD2 LYS A 98 4.618 -8.954 -7.104 1.00 3.23 H new ATOM 0 HD3 LYS A 98 5.937 -8.581 -6.012 1.00 3.23 H new ATOM 0 HE2 LYS A 98 7.247 -10.422 -6.768 1.00 20.32 H new ATOM 0 HE3 LYS A 98 5.872 -11.209 -7.517 1.00 20.32 H new ATOM 0 HZ1 LYS A 98 7.442 -10.070 -9.069 1.00 73.32 H new ATOM 0 HZ2 LYS A 98 5.818 -9.603 -9.237 1.00 73.32 H new ATOM 0 HZ3 LYS A 98 6.916 -8.584 -8.437 1.00 73.32 H new ATOM 1496 N ALA A 99 7.049 -12.550 -2.119 1.00 54.33 N ATOM 1497 CA ALA A 99 7.992 -13.531 -1.563 1.00 2.14 C ATOM 1498 C ALA A 99 7.289 -14.501 -0.604 1.00 62.01 C ATOM 1499 O ALA A 99 7.563 -15.700 -0.598 1.00 74.55 O ATOM 1500 CB ALA A 99 9.142 -12.822 -0.850 1.00 23.22 C ATOM 0 H ALA A 99 7.267 -11.581 -1.887 1.00 54.33 H new ATOM 0 HA ALA A 99 8.395 -14.112 -2.393 1.00 2.14 H new ATOM 0 HB1 ALA A 99 9.831 -13.563 -0.444 1.00 23.22 H new ATOM 0 HB2 ALA A 99 9.671 -12.184 -1.558 1.00 23.22 H new ATOM 0 HB3 ALA A 99 8.746 -12.212 -0.038 1.00 23.22 H new ATOM 1506 N ILE A 100 6.364 -13.972 0.193 1.00 74.10 N ATOM 1507 CA ILE A 100 5.593 -14.787 1.144 1.00 4.20 C ATOM 1508 C ILE A 100 4.446 -15.550 0.443 1.00 0.31 C ATOM 1509 O ILE A 100 3.635 -16.210 1.098 1.00 60.54 O ATOM 1510 CB ILE A 100 4.999 -13.905 2.272 1.00 53.13 C ATOM 1511 CG1 ILE A 100 3.919 -12.977 1.694 1.00 33.14 C ATOM 1512 CG2 ILE A 100 6.103 -13.099 2.959 1.00 14.45 C ATOM 1513 CD1 ILE A 100 3.239 -12.109 2.721 1.00 71.43 C ATOM 0 H ILE A 100 6.126 -12.980 0.203 1.00 74.10 H new ATOM 0 HA ILE A 100 6.285 -15.512 1.573 1.00 4.20 H new ATOM 0 HB ILE A 100 4.539 -14.548 3.022 1.00 53.13 H new ATOM 0 HG12 ILE A 100 4.372 -12.338 0.936 1.00 33.14 H new ATOM 0 HG13 ILE A 100 3.166 -13.583 1.190 1.00 33.14 H new ATOM 0 HG21 ILE A 100 5.668 -12.485 3.748 1.00 14.45 H new ATOM 0 HG22 ILE A 100 6.836 -13.780 3.391 1.00 14.45 H new ATOM 0 HG23 ILE A 100 6.593 -12.456 2.228 1.00 14.45 H new ATOM 0 HD11 ILE A 100 2.491 -11.485 2.232 1.00 71.43 H new ATOM 0 HD12 ILE A 100 2.754 -12.739 3.466 1.00 71.43 H new ATOM 0 HD13 ILE A 100 3.979 -11.474 3.208 1.00 71.43 H new ATOM 1525 N GLY A 101 4.375 -15.440 -0.885 1.00 1.43 N ATOM 1526 CA GLY A 101 3.337 -16.125 -1.653 1.00 33.00 C ATOM 1527 C GLY A 101 1.939 -15.531 -1.458 1.00 0.10 C ATOM 1528 O GLY A 101 0.973 -16.260 -1.222 1.00 11.45 O ATOM 0 H GLY A 101 5.021 -14.886 -1.447 1.00 1.43 H new ATOM 0 HA2 GLY A 101 3.595 -16.087 -2.711 1.00 33.00 H new ATOM 0 HA3 GLY A 101 3.319 -17.177 -1.367 1.00 33.00 H new ATOM 1532 N GLY A 102 1.835 -14.205 -1.532 1.00 1.34 N ATOM 1533 CA GLY A 102 0.545 -13.534 -1.401 1.00 12.15 C ATOM 1534 C GLY A 102 -0.204 -13.395 -2.725 1.00 2.52 C ATOM 1535 O GLY A 102 0.407 -13.440 -3.795 1.00 73.34 O ATOM 0 H GLY A 102 2.625 -13.577 -1.681 1.00 1.34 H new ATOM 0 HA2 GLY A 102 -0.075 -14.090 -0.698 1.00 12.15 H new ATOM 0 HA3 GLY A 102 0.701 -12.543 -0.975 1.00 12.15 H new ATOM 1539 N PRO A 103 -1.540 -13.221 -2.680 1.00 61.42 N ATOM 1540 CA PRO A 103 -2.367 -13.060 -3.893 1.00 33.43 C ATOM 1541 C PRO A 103 -2.087 -11.738 -4.635 1.00 63.31 C ATOM 1542 O PRO A 103 -2.298 -10.647 -4.093 1.00 23.12 O ATOM 1543 CB PRO A 103 -3.805 -13.088 -3.345 1.00 30.13 C ATOM 1544 CG PRO A 103 -3.680 -12.654 -1.923 1.00 21.00 C ATOM 1545 CD PRO A 103 -2.353 -13.182 -1.446 1.00 32.11 C ATOM 0 HA PRO A 103 -2.162 -13.835 -4.632 1.00 33.43 H new ATOM 0 HB2 PRO A 103 -4.456 -12.418 -3.907 1.00 30.13 H new ATOM 0 HB3 PRO A 103 -4.236 -14.086 -3.417 1.00 30.13 H new ATOM 0 HG2 PRO A 103 -3.721 -11.568 -1.841 1.00 21.00 H new ATOM 0 HG3 PRO A 103 -4.497 -13.050 -1.320 1.00 21.00 H new ATOM 0 HD2 PRO A 103 -1.909 -12.532 -0.692 1.00 32.11 H new ATOM 0 HD3 PRO A 103 -2.451 -14.170 -0.997 1.00 32.11 H new ATOM 1553 N THR A 104 -1.606 -11.838 -5.874 1.00 44.45 N ATOM 1554 CA THR A 104 -1.255 -10.649 -6.667 1.00 15.42 C ATOM 1555 C THR A 104 -2.078 -10.542 -7.959 1.00 44.44 C ATOM 1556 O THR A 104 -2.447 -11.544 -8.574 1.00 45.00 O ATOM 1557 CB THR A 104 0.249 -10.636 -7.046 1.00 60.41 C ATOM 1558 OG1 THR A 104 0.577 -11.784 -7.848 1.00 51.33 O ATOM 1559 CG2 THR A 104 1.132 -10.617 -5.804 1.00 2.33 C ATOM 0 H THR A 104 -1.449 -12.725 -6.353 1.00 44.45 H new ATOM 0 HA THR A 104 -1.483 -9.796 -6.028 1.00 15.42 H new ATOM 0 HB THR A 104 0.434 -9.728 -7.620 1.00 60.41 H new ATOM 0 HG1 THR A 104 1.414 -11.618 -8.330 1.00 51.33 H new ATOM 0 HG21 THR A 104 2.180 -10.608 -6.103 1.00 2.33 H new ATOM 0 HG22 THR A 104 0.915 -9.725 -5.217 1.00 2.33 H new ATOM 0 HG23 THR A 104 0.934 -11.504 -5.203 1.00 2.33 H new ATOM 1567 N GLU A 105 -2.353 -9.303 -8.356 1.00 43.33 N ATOM 1568 CA GLU A 105 -3.016 -8.997 -9.627 1.00 2.00 C ATOM 1569 C GLU A 105 -2.071 -8.231 -10.553 1.00 74.31 C ATOM 1570 O GLU A 105 -0.980 -7.836 -10.155 1.00 32.41 O ATOM 1571 CB GLU A 105 -4.270 -8.144 -9.399 1.00 5.32 C ATOM 1572 CG GLU A 105 -5.419 -8.866 -8.712 1.00 31.40 C ATOM 1573 CD GLU A 105 -6.600 -7.946 -8.426 1.00 75.11 C ATOM 1574 OE1 GLU A 105 -6.604 -6.793 -8.925 1.00 2.52 O ATOM 1575 OE2 GLU A 105 -7.521 -8.360 -7.695 1.00 61.20 O ATOM 0 H GLU A 105 -2.122 -8.476 -7.805 1.00 43.33 H new ATOM 0 HA GLU A 105 -3.298 -9.945 -10.085 1.00 2.00 H new ATOM 0 HB2 GLU A 105 -3.997 -7.275 -8.801 1.00 5.32 H new ATOM 0 HB3 GLU A 105 -4.618 -7.771 -10.362 1.00 5.32 H new ATOM 0 HG2 GLU A 105 -5.751 -9.693 -9.339 1.00 31.40 H new ATOM 0 HG3 GLU A 105 -5.064 -9.298 -7.776 1.00 31.40 H new ATOM 1582 N GLY A 106 -2.514 -7.999 -11.778 1.00 3.32 N ATOM 1583 CA GLY A 106 -1.715 -7.236 -12.731 1.00 52.12 C ATOM 1584 C GLY A 106 -1.740 -7.809 -14.137 1.00 70.45 C ATOM 1585 O GLY A 106 -2.323 -8.866 -14.384 1.00 65.23 O ATOM 0 H GLY A 106 -3.412 -8.323 -12.136 1.00 3.32 H new ATOM 0 HA2 GLY A 106 -2.080 -6.209 -12.759 1.00 52.12 H new ATOM 0 HA3 GLY A 106 -0.684 -7.199 -12.381 1.00 52.12 H new ATOM 1589 N ILE A 107 -1.114 -7.095 -15.060 1.00 51.31 N ATOM 1590 CA ILE A 107 -0.944 -7.573 -16.428 1.00 52.10 C ATOM 1591 C ILE A 107 0.277 -8.498 -16.505 1.00 1.23 C ATOM 1592 O ILE A 107 0.269 -9.512 -17.211 1.00 43.44 O ATOM 1593 CB ILE A 107 -0.770 -6.387 -17.411 1.00 23.12 C ATOM 1594 CG1 ILE A 107 -1.890 -5.351 -17.188 1.00 12.22 C ATOM 1595 CG2 ILE A 107 -0.767 -6.882 -18.860 1.00 11.24 C ATOM 1596 CD1 ILE A 107 -1.807 -4.145 -18.101 1.00 41.13 C ATOM 0 H ILE A 107 -0.711 -6.174 -14.886 1.00 51.31 H new ATOM 0 HA ILE A 107 -1.839 -8.126 -16.714 1.00 52.10 H new ATOM 0 HB ILE A 107 0.190 -5.909 -17.219 1.00 23.12 H new ATOM 0 HG12 ILE A 107 -2.855 -5.838 -17.333 1.00 12.22 H new ATOM 0 HG13 ILE A 107 -1.856 -5.012 -16.152 1.00 12.22 H new ATOM 0 HG21 ILE A 107 -0.644 -6.034 -19.534 1.00 11.24 H new ATOM 0 HG22 ILE A 107 0.056 -7.582 -19.004 1.00 11.24 H new ATOM 0 HG23 ILE A 107 -1.711 -7.383 -19.075 1.00 11.24 H new ATOM 0 HD11 ILE A 107 -2.630 -3.465 -17.881 1.00 41.13 H new ATOM 0 HD12 ILE A 107 -0.859 -3.632 -17.941 1.00 41.13 H new ATOM 0 HD13 ILE A 107 -1.873 -4.470 -19.139 1.00 41.13 H new ATOM 1608 N ILE A 108 1.329 -8.142 -15.758 1.00 52.41 N ATOM 1609 CA ILE A 108 2.531 -8.979 -15.673 1.00 22.55 C ATOM 1610 C ILE A 108 2.392 -10.095 -14.629 1.00 63.55 C ATOM 1611 O ILE A 108 2.823 -11.231 -14.855 1.00 34.23 O ATOM 1612 CB ILE A 108 3.793 -8.130 -15.363 1.00 1.23 C ATOM 1613 CG1 ILE A 108 3.930 -6.991 -16.390 1.00 23.50 C ATOM 1614 CG2 ILE A 108 5.047 -9.004 -15.341 1.00 33.22 C ATOM 1615 CD1 ILE A 108 3.859 -7.448 -17.831 1.00 44.21 C ATOM 0 H ILE A 108 1.372 -7.285 -15.207 1.00 52.41 H new ATOM 0 HA ILE A 108 2.646 -9.444 -16.652 1.00 22.55 H new ATOM 0 HB ILE A 108 3.681 -7.690 -14.372 1.00 1.23 H new ATOM 0 HG12 ILE A 108 3.142 -6.259 -16.213 1.00 23.50 H new ATOM 0 HG13 ILE A 108 4.880 -6.482 -16.228 1.00 23.50 H new ATOM 0 HG21 ILE A 108 5.918 -8.386 -15.122 1.00 33.22 H new ATOM 0 HG22 ILE A 108 4.943 -9.770 -14.573 1.00 33.22 H new ATOM 0 HG23 ILE A 108 5.176 -9.480 -16.313 1.00 33.22 H new ATOM 0 HD11 ILE A 108 3.964 -6.587 -18.491 1.00 44.21 H new ATOM 0 HD12 ILE A 108 4.664 -8.156 -18.028 1.00 44.21 H new ATOM 0 HD13 ILE A 108 2.899 -7.930 -18.013 1.00 44.21 H new ATOM 1627 N GLU A 109 1.785 -9.766 -13.495 1.00 11.53 N ATOM 1628 CA GLU A 109 1.566 -10.748 -12.415 1.00 33.10 C ATOM 1629 C GLU A 109 0.524 -11.807 -12.812 1.00 53.41 C ATOM 1630 O GLU A 109 -0.608 -11.815 -12.325 1.00 22.12 O ATOM 1631 CB GLU A 109 1.136 -10.064 -11.110 1.00 51.23 C ATOM 1632 CG GLU A 109 2.189 -9.146 -10.501 1.00 64.31 C ATOM 1633 CD GLU A 109 3.468 -9.864 -10.100 1.00 15.52 C ATOM 1634 OE1 GLU A 109 3.406 -10.767 -9.241 1.00 12.05 O ATOM 1635 OE2 GLU A 109 4.550 -9.513 -10.626 1.00 30.11 O ATOM 0 H GLU A 109 1.433 -8.831 -13.290 1.00 11.53 H new ATOM 0 HA GLU A 109 2.521 -11.246 -12.250 1.00 33.10 H new ATOM 0 HB2 GLU A 109 0.232 -9.484 -11.299 1.00 51.23 H new ATOM 0 HB3 GLU A 109 0.876 -10.831 -10.381 1.00 51.23 H new ATOM 0 HG2 GLU A 109 2.433 -8.362 -11.218 1.00 64.31 H new ATOM 0 HG3 GLU A 109 1.767 -8.656 -9.623 1.00 64.31 H new ATOM 1642 N SER A 110 0.928 -12.690 -13.711 1.00 60.13 N ATOM 1643 CA SER A 110 0.080 -13.784 -14.209 1.00 44.32 C ATOM 1644 C SER A 110 0.961 -14.850 -14.861 1.00 75.14 C ATOM 1645 O SER A 110 0.713 -16.049 -14.737 1.00 73.54 O ATOM 1646 CB SER A 110 -0.955 -13.279 -15.233 1.00 65.11 C ATOM 1647 OG SER A 110 -1.898 -12.391 -14.648 1.00 71.23 O ATOM 0 H SER A 110 1.860 -12.676 -14.125 1.00 60.13 H new ATOM 0 HA SER A 110 -0.462 -14.205 -13.362 1.00 44.32 H new ATOM 0 HB2 SER A 110 -0.439 -12.773 -16.049 1.00 65.11 H new ATOM 0 HB3 SER A 110 -1.480 -14.130 -15.667 1.00 65.11 H new ATOM 0 HG SER A 110 -1.630 -12.189 -13.727 1.00 71.23 H new ATOM 1653 N ARG A 111 1.989 -14.388 -15.568 1.00 14.01 N ATOM 1654 CA ARG A 111 3.009 -15.265 -16.150 1.00 61.23 C ATOM 1655 C ARG A 111 4.400 -14.602 -16.076 1.00 42.01 C ATOM 1656 O ARG A 111 4.863 -13.971 -17.023 1.00 73.10 O ATOM 1657 CB ARG A 111 2.624 -15.674 -17.593 1.00 74.43 C ATOM 1658 CG ARG A 111 1.814 -14.632 -18.382 1.00 70.43 C ATOM 1659 CD ARG A 111 2.649 -13.429 -18.813 1.00 2.41 C ATOM 1660 NE ARG A 111 3.868 -13.837 -19.511 1.00 51.43 N ATOM 1661 CZ ARG A 111 4.098 -13.639 -20.781 1.00 75.11 C ATOM 1662 NH1 ARG A 111 3.235 -13.027 -21.528 1.00 35.44 N ATOM 1663 NH2 ARG A 111 5.203 -14.052 -21.305 1.00 31.13 N ATOM 0 H ARG A 111 2.141 -13.397 -15.755 1.00 14.01 H new ATOM 0 HA ARG A 111 3.061 -16.183 -15.565 1.00 61.23 H new ATOM 0 HB2 ARG A 111 3.537 -15.893 -18.146 1.00 74.43 H new ATOM 0 HB3 ARG A 111 2.048 -16.599 -17.549 1.00 74.43 H new ATOM 0 HG2 ARG A 111 1.386 -15.106 -19.266 1.00 70.43 H new ATOM 0 HG3 ARG A 111 0.981 -14.288 -17.770 1.00 70.43 H new ATOM 0 HD2 ARG A 111 2.054 -12.788 -19.464 1.00 2.41 H new ATOM 0 HD3 ARG A 111 2.913 -12.837 -17.937 1.00 2.41 H new ATOM 0 HE ARG A 111 4.590 -14.310 -18.967 1.00 51.43 H new ATOM 0 HH11 ARG A 111 2.360 -12.691 -21.126 1.00 35.44 H new ATOM 0 HH12 ARG A 111 3.431 -12.881 -22.518 1.00 35.44 H new ATOM 0 HH21 ARG A 111 5.893 -14.531 -20.727 1.00 31.13 H new ATOM 0 HH22 ARG A 111 5.386 -13.899 -22.297 1.00 31.13 H new ATOM 1677 N THR A 112 5.049 -14.739 -14.923 1.00 14.42 N ATOM 1678 CA THR A 112 6.299 -14.018 -14.630 1.00 24.21 C ATOM 1679 C THR A 112 7.523 -14.948 -14.605 1.00 72.21 C ATOM 1680 O THR A 112 7.428 -16.109 -14.206 1.00 4.32 O ATOM 1681 CB THR A 112 6.202 -13.281 -13.272 1.00 73.42 C ATOM 1682 OG1 THR A 112 7.454 -12.657 -12.945 1.00 51.43 O ATOM 1683 CG2 THR A 112 5.800 -14.240 -12.154 1.00 24.12 C ATOM 0 H THR A 112 4.732 -15.346 -14.167 1.00 14.42 H new ATOM 0 HA THR A 112 6.433 -13.299 -15.438 1.00 24.21 H new ATOM 0 HB THR A 112 5.434 -12.514 -13.367 1.00 73.42 H new ATOM 0 HG1 THR A 112 7.374 -12.194 -12.085 1.00 51.43 H new ATOM 0 HG21 THR A 112 5.740 -13.695 -11.212 1.00 24.12 H new ATOM 0 HG22 THR A 112 4.829 -14.679 -12.383 1.00 24.12 H new ATOM 0 HG23 THR A 112 6.544 -15.032 -12.068 1.00 24.12 H new ATOM 1691 N PRO A 113 8.694 -14.446 -15.045 1.00 32.33 N ATOM 1692 CA PRO A 113 9.952 -15.192 -15.015 1.00 55.24 C ATOM 1693 C PRO A 113 10.795 -14.898 -13.757 1.00 35.23 C ATOM 1694 O PRO A 113 11.984 -15.223 -13.700 1.00 22.13 O ATOM 1695 CB PRO A 113 10.646 -14.669 -16.275 1.00 71.21 C ATOM 1696 CG PRO A 113 10.196 -13.241 -16.404 1.00 33.12 C ATOM 1697 CD PRO A 113 8.887 -13.112 -15.643 1.00 40.53 C ATOM 0 HA PRO A 113 9.807 -16.272 -14.986 1.00 55.24 H new ATOM 0 HB2 PRO A 113 11.730 -14.734 -16.184 1.00 71.21 H new ATOM 0 HB3 PRO A 113 10.364 -15.252 -17.152 1.00 71.21 H new ATOM 0 HG2 PRO A 113 10.946 -12.563 -15.997 1.00 33.12 H new ATOM 0 HG3 PRO A 113 10.060 -12.974 -17.452 1.00 33.12 H new ATOM 0 HD2 PRO A 113 8.943 -12.336 -14.880 1.00 40.53 H new ATOM 0 HD3 PRO A 113 8.063 -12.848 -16.306 1.00 40.53 H new ATOM 1705 N ALA A 114 10.170 -14.294 -12.745 1.00 72.40 N ATOM 1706 CA ALA A 114 10.874 -13.886 -11.519 1.00 12.14 C ATOM 1707 C ALA A 114 11.256 -15.081 -10.620 1.00 42.43 C ATOM 1708 O ALA A 114 11.013 -16.245 -10.956 1.00 53.01 O ATOM 1709 CB ALA A 114 10.015 -12.896 -10.738 1.00 41.02 C ATOM 0 H ALA A 114 9.174 -14.074 -12.747 1.00 72.40 H new ATOM 0 HA ALA A 114 11.807 -13.413 -11.826 1.00 12.14 H new ATOM 0 HB1 ALA A 114 10.539 -12.596 -9.831 1.00 41.02 H new ATOM 0 HB2 ALA A 114 9.822 -12.017 -11.353 1.00 41.02 H new ATOM 0 HB3 ALA A 114 9.069 -13.367 -10.471 1.00 41.02 H new ATOM 1715 N GLY A 115 11.876 -14.775 -9.476 1.00 14.00 N ATOM 1716 CA GLY A 115 12.248 -15.792 -8.506 1.00 43.20 C ATOM 1717 C GLY A 115 13.549 -15.454 -7.782 1.00 13.03 C ATOM 1718 O GLY A 115 13.861 -14.280 -7.561 1.00 33.00 O ATOM 0 H GLY A 115 12.129 -13.825 -9.205 1.00 14.00 H new ATOM 0 HA2 GLY A 115 11.447 -15.904 -7.775 1.00 43.20 H new ATOM 0 HA3 GLY A 115 12.355 -16.752 -9.012 1.00 43.20 H new ATOM 1722 N ALA A 116 14.291 -16.489 -7.413 1.00 14.12 N ATOM 1723 CA ALA A 116 15.621 -16.355 -6.785 1.00 15.30 C ATOM 1724 C ALA A 116 15.565 -15.768 -5.359 1.00 63.33 C ATOM 1725 O ALA A 116 15.322 -14.573 -5.167 1.00 75.15 O ATOM 1726 CB ALA A 116 16.557 -15.530 -7.669 1.00 41.45 C ATOM 0 H ALA A 116 13.995 -17.457 -7.537 1.00 14.12 H new ATOM 0 HA ALA A 116 16.017 -17.366 -6.688 1.00 15.30 H new ATOM 0 HB1 ALA A 116 17.531 -15.444 -7.187 1.00 41.45 H new ATOM 0 HB2 ALA A 116 16.672 -16.022 -8.635 1.00 41.45 H new ATOM 0 HB3 ALA A 116 16.136 -14.535 -7.816 1.00 41.45 H new ATOM 1732 N ASP A 117 15.816 -16.621 -4.365 1.00 42.43 N ATOM 1733 CA ASP A 117 15.873 -16.206 -2.955 1.00 65.34 C ATOM 1734 C ASP A 117 17.167 -16.708 -2.289 1.00 11.23 C ATOM 1735 O ASP A 117 17.463 -17.906 -2.307 1.00 3.45 O ATOM 1736 CB ASP A 117 14.646 -16.729 -2.194 1.00 43.12 C ATOM 1737 CG ASP A 117 14.772 -16.549 -0.687 1.00 4.22 C ATOM 1738 OD1 ASP A 117 14.644 -15.406 -0.202 1.00 74.21 O ATOM 1739 OD2 ASP A 117 15.016 -17.551 0.018 1.00 54.32 O ATOM 0 H ASP A 117 15.986 -17.616 -4.509 1.00 42.43 H new ATOM 0 HA ASP A 117 15.870 -15.117 -2.920 1.00 65.34 H new ATOM 0 HB2 ASP A 117 13.756 -16.208 -2.545 1.00 43.12 H new ATOM 0 HB3 ASP A 117 14.506 -17.786 -2.420 1.00 43.12 H new ATOM 1744 N ASP A 118 17.926 -15.789 -1.693 1.00 0.41 N ATOM 1745 CA ASP A 118 19.201 -16.124 -1.054 1.00 42.45 C ATOM 1746 C ASP A 118 19.057 -16.256 0.476 1.00 11.14 C ATOM 1747 O ASP A 118 17.955 -16.170 1.020 1.00 52.21 O ATOM 1748 CB ASP A 118 20.251 -15.066 -1.410 1.00 63.20 C ATOM 1749 CG ASP A 118 19.831 -13.663 -1.008 1.00 50.53 C ATOM 1750 OD1 ASP A 118 18.869 -13.132 -1.601 1.00 74.15 O ATOM 1751 OD2 ASP A 118 20.468 -13.078 -0.107 1.00 2.23 O ATOM 0 H ASP A 118 17.679 -14.801 -1.639 1.00 0.41 H new ATOM 0 HA ASP A 118 19.525 -17.094 -1.431 1.00 42.45 H new ATOM 0 HB2 ASP A 118 21.192 -15.314 -0.918 1.00 63.20 H new ATOM 0 HB3 ASP A 118 20.436 -15.091 -2.484 1.00 63.20 H new ATOM 1756 N TYR A 119 20.180 -16.457 1.168 1.00 33.23 N ATOM 1757 CA TYR A 119 20.166 -16.712 2.617 1.00 53.14 C ATOM 1758 C TYR A 119 21.481 -16.278 3.289 1.00 43.33 C ATOM 1759 O TYR A 119 22.568 -16.541 2.773 1.00 42.44 O ATOM 1760 CB TYR A 119 19.918 -18.209 2.869 1.00 24.44 C ATOM 1761 CG TYR A 119 19.999 -18.627 4.329 1.00 20.40 C ATOM 1762 CD1 TYR A 119 18.948 -18.381 5.203 1.00 2.31 C ATOM 1763 CD2 TYR A 119 21.127 -19.272 4.825 1.00 5.45 C ATOM 1764 CE1 TYR A 119 19.018 -18.765 6.528 1.00 65.41 C ATOM 1765 CE2 TYR A 119 21.204 -19.659 6.149 1.00 52.20 C ATOM 1766 CZ TYR A 119 20.147 -19.402 6.995 1.00 63.33 C ATOM 1767 OH TYR A 119 20.219 -19.786 8.315 1.00 55.13 O ATOM 0 H TYR A 119 21.112 -16.449 0.753 1.00 33.23 H new ATOM 0 HA TYR A 119 19.363 -16.120 3.056 1.00 53.14 H new ATOM 0 HB2 TYR A 119 18.932 -18.470 2.484 1.00 24.44 H new ATOM 0 HB3 TYR A 119 20.646 -18.786 2.299 1.00 24.44 H new ATOM 0 HD1 TYR A 119 18.062 -17.881 4.841 1.00 2.31 H new ATOM 0 HD2 TYR A 119 21.957 -19.474 4.164 1.00 5.45 H new ATOM 0 HE1 TYR A 119 18.192 -18.567 7.195 1.00 65.41 H new ATOM 0 HE2 TYR A 119 22.087 -20.160 6.519 1.00 52.20 H new ATOM 0 HH TYR A 119 21.080 -20.223 8.482 1.00 55.13 H new ATOM 1777 N ASN A 120 21.375 -15.620 4.447 1.00 32.53 N ATOM 1778 CA ASN A 120 22.556 -15.234 5.234 1.00 54.02 C ATOM 1779 C ASN A 120 23.081 -16.444 6.030 1.00 32.22 C ATOM 1780 O ASN A 120 22.440 -16.901 6.980 1.00 51.42 O ATOM 1781 CB ASN A 120 22.206 -14.072 6.179 1.00 13.52 C ATOM 1782 CG ASN A 120 23.428 -13.434 6.826 1.00 71.32 C ATOM 1783 OD1 ASN A 120 24.437 -14.083 7.081 1.00 65.41 O ATOM 1784 ND2 ASN A 120 23.344 -12.145 7.097 1.00 75.30 N ATOM 0 H ASN A 120 20.486 -15.342 4.862 1.00 32.53 H new ATOM 0 HA ASN A 120 23.341 -14.901 4.555 1.00 54.02 H new ATOM 0 HB2 ASN A 120 21.660 -13.311 5.622 1.00 13.52 H new ATOM 0 HB3 ASN A 120 21.538 -14.436 6.960 1.00 13.52 H new ATOM 0 HD21 ASN A 120 24.131 -11.663 7.530 1.00 75.30 H new ATOM 0 HD22 ASN A 120 22.492 -11.631 6.873 1.00 75.30 H new ATOM 1791 N VAL A 121 24.247 -16.952 5.636 1.00 24.34 N ATOM 1792 CA VAL A 121 24.788 -18.202 6.190 1.00 43.35 C ATOM 1793 C VAL A 121 25.484 -17.998 7.549 1.00 13.45 C ATOM 1794 O VAL A 121 25.540 -18.915 8.376 1.00 54.45 O ATOM 1795 CB VAL A 121 25.789 -18.847 5.197 1.00 22.53 C ATOM 1796 CG1 VAL A 121 26.251 -20.221 5.686 1.00 10.51 C ATOM 1797 CG2 VAL A 121 25.174 -18.940 3.800 1.00 74.22 C ATOM 0 H VAL A 121 24.842 -16.518 4.931 1.00 24.34 H new ATOM 0 HA VAL A 121 23.936 -18.864 6.348 1.00 43.35 H new ATOM 0 HB VAL A 121 26.669 -18.206 5.142 1.00 22.53 H new ATOM 0 HG11 VAL A 121 26.952 -20.646 4.968 1.00 10.51 H new ATOM 0 HG12 VAL A 121 26.742 -20.117 6.654 1.00 10.51 H new ATOM 0 HG13 VAL A 121 25.389 -20.880 5.786 1.00 10.51 H new ATOM 0 HG21 VAL A 121 25.891 -19.395 3.116 1.00 74.22 H new ATOM 0 HG22 VAL A 121 24.272 -19.551 3.839 1.00 74.22 H new ATOM 0 HG23 VAL A 121 24.920 -17.940 3.447 1.00 74.22 H new ATOM 1807 N VAL A 122 26.016 -16.800 7.774 1.00 42.41 N ATOM 1808 CA VAL A 122 26.752 -16.496 9.011 1.00 44.14 C ATOM 1809 C VAL A 122 25.820 -15.975 10.120 1.00 15.42 C ATOM 1810 O VAL A 122 25.364 -14.832 10.076 1.00 53.50 O ATOM 1811 CB VAL A 122 27.878 -15.459 8.754 1.00 45.45 C ATOM 1812 CG1 VAL A 122 28.650 -15.158 10.040 1.00 54.03 C ATOM 1813 CG2 VAL A 122 28.824 -15.954 7.660 1.00 24.43 C ATOM 0 H VAL A 122 25.955 -16.020 7.120 1.00 42.41 H new ATOM 0 HA VAL A 122 27.197 -17.433 9.346 1.00 44.14 H new ATOM 0 HB VAL A 122 27.414 -14.533 8.415 1.00 45.45 H new ATOM 0 HG11 VAL A 122 29.433 -14.429 9.832 1.00 54.03 H new ATOM 0 HG12 VAL A 122 27.968 -14.754 10.788 1.00 54.03 H new ATOM 0 HG13 VAL A 122 29.100 -16.076 10.417 1.00 54.03 H new ATOM 0 HG21 VAL A 122 29.607 -15.214 7.494 1.00 24.43 H new ATOM 0 HG22 VAL A 122 29.276 -16.897 7.969 1.00 24.43 H new ATOM 0 HG23 VAL A 122 28.265 -16.105 6.736 1.00 24.43 H new ATOM 1823 N SER A 123 25.534 -16.827 11.109 1.00 12.22 N ATOM 1824 CA SER A 123 24.657 -16.441 12.234 1.00 31.42 C ATOM 1825 C SER A 123 24.716 -17.464 13.390 1.00 53.34 C ATOM 1826 O SER A 123 23.893 -17.432 14.307 1.00 45.22 O ATOM 1827 CB SER A 123 23.207 -16.298 11.742 1.00 51.25 C ATOM 1828 OG SER A 123 22.372 -15.710 12.728 1.00 21.04 O ATOM 0 H SER A 123 25.890 -17.781 11.160 1.00 12.22 H new ATOM 0 HA SER A 123 25.015 -15.485 12.617 1.00 31.42 H new ATOM 0 HB2 SER A 123 23.188 -15.688 10.839 1.00 51.25 H new ATOM 0 HB3 SER A 123 22.816 -17.279 11.472 1.00 51.25 H new ATOM 0 HG SER A 123 22.534 -16.141 13.593 1.00 21.04 H new ATOM 1834 N ARG A 124 25.714 -18.347 13.360 1.00 21.53 N ATOM 1835 CA ARG A 124 25.824 -19.454 14.330 1.00 3.10 C ATOM 1836 C ARG A 124 27.198 -19.461 15.028 1.00 75.10 C ATOM 1837 O ARG A 124 28.241 -19.544 14.373 1.00 31.04 O ATOM 1838 CB ARG A 124 25.582 -20.791 13.604 1.00 24.12 C ATOM 1839 CG ARG A 124 25.945 -22.043 14.405 1.00 62.40 C ATOM 1840 CD ARG A 124 25.120 -22.191 15.680 1.00 63.13 C ATOM 1841 NE ARG A 124 25.407 -23.455 16.361 1.00 64.24 N ATOM 1842 CZ ARG A 124 25.915 -23.557 17.563 1.00 53.24 C ATOM 1843 NH1 ARG A 124 26.125 -22.510 18.291 1.00 21.13 N ATOM 1844 NH2 ARG A 124 26.184 -24.724 18.044 1.00 73.42 N ATOM 0 H ARG A 124 26.467 -18.322 12.672 1.00 21.53 H new ATOM 0 HA ARG A 124 25.069 -19.314 15.103 1.00 3.10 H new ATOM 0 HB2 ARG A 124 24.530 -20.850 13.326 1.00 24.12 H new ATOM 0 HB3 ARG A 124 26.157 -20.792 12.678 1.00 24.12 H new ATOM 0 HG2 ARG A 124 25.799 -22.924 13.779 1.00 62.40 H new ATOM 0 HG3 ARG A 124 27.003 -22.008 14.665 1.00 62.40 H new ATOM 0 HD2 ARG A 124 25.333 -21.359 16.351 1.00 63.13 H new ATOM 0 HD3 ARG A 124 24.059 -22.141 15.436 1.00 63.13 H new ATOM 0 HE ARG A 124 25.196 -24.319 15.862 1.00 64.24 H new ATOM 0 HH11 ARG A 124 25.894 -21.584 17.931 1.00 21.13 H new ATOM 0 HH12 ARG A 124 26.522 -22.610 19.225 1.00 21.13 H new ATOM 0 HH21 ARG A 124 26.001 -25.559 17.488 1.00 73.42 H new ATOM 0 HH22 ARG A 124 26.580 -24.811 18.980 1.00 73.42 H new ATOM 1858 N LEU A 125 27.187 -19.379 16.362 1.00 42.24 N ATOM 1859 CA LEU A 125 28.425 -19.386 17.160 1.00 0.44 C ATOM 1860 C LEU A 125 28.142 -19.690 18.643 1.00 74.10 C ATOM 1861 O LEU A 125 26.988 -19.707 19.074 1.00 15.03 O ATOM 1862 CB LEU A 125 29.199 -18.045 17.002 1.00 54.24 C ATOM 1863 CG LEU A 125 28.522 -16.734 17.501 1.00 0.44 C ATOM 1864 CD1 LEU A 125 27.093 -16.589 16.980 1.00 35.41 C ATOM 1865 CD2 LEU A 125 28.561 -16.616 19.027 1.00 75.42 C ATOM 0 H LEU A 125 26.334 -19.307 16.917 1.00 42.24 H new ATOM 0 HA LEU A 125 29.056 -20.188 16.777 1.00 0.44 H new ATOM 0 HB2 LEU A 125 30.150 -18.147 17.525 1.00 54.24 H new ATOM 0 HB3 LEU A 125 29.429 -17.918 15.944 1.00 54.24 H new ATOM 0 HG LEU A 125 29.106 -15.911 17.089 1.00 0.44 H new ATOM 0 HD11 LEU A 125 26.662 -15.660 17.354 1.00 35.41 H new ATOM 0 HD12 LEU A 125 27.103 -16.571 15.890 1.00 35.41 H new ATOM 0 HD13 LEU A 125 26.493 -17.432 17.324 1.00 35.41 H new ATOM 0 HD21 LEU A 125 28.078 -15.688 19.333 1.00 75.42 H new ATOM 0 HD22 LEU A 125 28.035 -17.461 19.471 1.00 75.42 H new ATOM 0 HD23 LEU A 125 29.597 -16.615 19.365 1.00 75.42 H new ATOM 1877 N GLU A 126 29.199 -19.936 19.414 1.00 75.42 N ATOM 1878 CA GLU A 126 29.073 -20.164 20.862 1.00 41.45 C ATOM 1879 C GLU A 126 30.331 -19.683 21.603 1.00 51.01 C ATOM 1880 O GLU A 126 31.455 -19.897 21.142 1.00 43.00 O ATOM 1881 CB GLU A 126 28.821 -21.651 21.160 1.00 2.04 C ATOM 1882 CG GLU A 126 28.573 -21.956 22.638 1.00 55.14 C ATOM 1883 CD GLU A 126 27.330 -21.264 23.190 1.00 70.12 C ATOM 1884 OE1 GLU A 126 27.434 -20.102 23.637 1.00 33.42 O ATOM 1885 OE2 GLU A 126 26.243 -21.884 23.177 1.00 52.53 O ATOM 0 H GLU A 126 30.156 -19.984 19.065 1.00 75.42 H new ATOM 0 HA GLU A 126 28.219 -19.588 21.218 1.00 41.45 H new ATOM 0 HB2 GLU A 126 27.960 -21.986 20.581 1.00 2.04 H new ATOM 0 HB3 GLU A 126 29.679 -22.230 20.819 1.00 2.04 H new ATOM 0 HG2 GLU A 126 28.470 -23.033 22.769 1.00 55.14 H new ATOM 0 HG3 GLU A 126 29.442 -21.646 23.218 1.00 55.14 H new ATOM 1892 N HIS A 127 30.138 -19.035 22.752 1.00 62.34 N ATOM 1893 CA HIS A 127 31.252 -18.447 23.501 1.00 21.53 C ATOM 1894 C HIS A 127 30.873 -18.167 24.969 1.00 24.30 C ATOM 1895 O HIS A 127 30.392 -17.082 25.304 1.00 45.44 O ATOM 1896 CB HIS A 127 31.707 -17.155 22.803 1.00 3.42 C ATOM 1897 CG HIS A 127 32.829 -16.432 23.488 1.00 32.30 C ATOM 1898 ND1 HIS A 127 32.650 -15.254 24.181 1.00 70.51 N ATOM 1899 CD2 HIS A 127 34.152 -16.711 23.568 1.00 23.31 C ATOM 1900 CE1 HIS A 127 33.807 -14.841 24.655 1.00 33.21 C ATOM 1901 NE2 HIS A 127 34.733 -15.706 24.299 1.00 72.10 N ATOM 0 H HIS A 127 29.224 -18.903 23.185 1.00 62.34 H new ATOM 0 HA HIS A 127 32.072 -19.164 23.516 1.00 21.53 H new ATOM 0 HB2 HIS A 127 32.017 -17.397 21.786 1.00 3.42 H new ATOM 0 HB3 HIS A 127 30.854 -16.481 22.724 1.00 3.42 H new ATOM 0 HD2 HIS A 127 34.655 -17.564 23.137 1.00 23.31 H new ATOM 0 HE1 HIS A 127 33.969 -13.945 25.237 1.00 33.21 H new ATOM 0 HE2 HIS A 127 35.724 -15.640 24.530 1.00 72.10 H new ATOM 1910 N HIS A 128 31.085 -19.153 25.846 1.00 13.23 N ATOM 1911 CA HIS A 128 30.778 -19.001 27.281 1.00 41.04 C ATOM 1912 C HIS A 128 31.944 -19.467 28.179 1.00 14.31 C ATOM 1913 O HIS A 128 32.376 -20.620 28.115 1.00 73.41 O ATOM 1914 CB HIS A 128 29.497 -19.772 27.650 1.00 60.13 C ATOM 1915 CG HIS A 128 28.231 -19.159 27.116 1.00 11.23 C ATOM 1916 ND1 HIS A 128 27.164 -19.902 26.657 1.00 43.41 N ATOM 1917 CD2 HIS A 128 27.850 -17.862 27.005 1.00 61.55 C ATOM 1918 CE1 HIS A 128 26.188 -19.096 26.290 1.00 51.42 C ATOM 1919 NE2 HIS A 128 26.578 -17.855 26.492 1.00 61.53 N ATOM 0 H HIS A 128 31.467 -20.064 25.593 1.00 13.23 H new ATOM 0 HA HIS A 128 30.623 -17.937 27.459 1.00 41.04 H new ATOM 0 HB2 HIS A 128 29.580 -20.792 27.274 1.00 60.13 H new ATOM 0 HB3 HIS A 128 29.426 -19.837 28.736 1.00 60.13 H new ATOM 0 HD2 HIS A 128 28.438 -16.996 27.271 1.00 61.55 H new ATOM 0 HE1 HIS A 128 25.232 -19.401 25.892 1.00 51.42 H new ATOM 0 HE2 HIS A 128 26.023 -17.022 26.298 1.00 61.53 H new ATOM 1928 N HIS A 129 32.454 -18.554 29.010 1.00 31.00 N ATOM 1929 CA HIS A 129 33.504 -18.876 29.992 1.00 63.22 C ATOM 1930 C HIS A 129 33.161 -18.320 31.387 1.00 4.51 C ATOM 1931 O HIS A 129 32.591 -17.233 31.510 1.00 33.20 O ATOM 1932 CB HIS A 129 34.856 -18.293 29.555 1.00 22.25 C ATOM 1933 CG HIS A 129 35.398 -18.852 28.275 1.00 62.41 C ATOM 1934 ND1 HIS A 129 35.982 -20.097 28.189 1.00 4.34 N ATOM 1935 CD2 HIS A 129 35.470 -18.323 27.031 1.00 33.30 C ATOM 1936 CE1 HIS A 129 36.392 -20.307 26.959 1.00 64.44 C ATOM 1937 NE2 HIS A 129 36.095 -19.250 26.235 1.00 63.25 N ATOM 0 H HIS A 129 32.157 -17.578 29.025 1.00 31.00 H new ATOM 0 HA HIS A 129 33.566 -19.963 30.044 1.00 63.22 H new ATOM 0 HB2 HIS A 129 34.752 -17.213 29.448 1.00 22.25 H new ATOM 0 HB3 HIS A 129 35.584 -18.467 30.348 1.00 22.25 H new ATOM 0 HD2 HIS A 129 35.105 -17.354 26.723 1.00 33.30 H new ATOM 0 HE1 HIS A 129 36.889 -21.197 26.602 1.00 64.44 H new ATOM 0 HE2 HIS A 129 36.297 -19.137 25.242 1.00 63.25 H new ATOM 1946 N HIS A 130 33.518 -19.068 32.435 1.00 12.41 N ATOM 1947 CA HIS A 130 33.398 -18.584 33.821 1.00 44.13 C ATOM 1948 C HIS A 130 34.786 -18.417 34.467 1.00 12.24 C ATOM 1949 O HIS A 130 35.290 -17.297 34.573 1.00 63.33 O ATOM 1950 CB HIS A 130 32.532 -19.531 34.670 1.00 0.55 C ATOM 1951 CG HIS A 130 31.063 -19.427 34.391 1.00 53.03 C ATOM 1952 ND1 HIS A 130 30.196 -20.491 34.495 1.00 22.24 N ATOM 1953 CD2 HIS A 130 30.302 -18.363 34.040 1.00 0.34 C ATOM 1954 CE1 HIS A 130 28.973 -20.088 34.222 1.00 53.43 C ATOM 1955 NE2 HIS A 130 29.007 -18.802 33.944 1.00 42.41 N ATOM 0 H HIS A 130 33.893 -20.013 32.354 1.00 12.41 H new ATOM 0 HA HIS A 130 32.909 -17.611 33.786 1.00 44.13 H new ATOM 0 HB2 HIS A 130 32.853 -20.557 34.493 1.00 0.55 H new ATOM 0 HB3 HIS A 130 32.707 -19.319 35.725 1.00 0.55 H new ATOM 0 HD2 HIS A 130 30.651 -17.356 33.868 1.00 0.34 H new ATOM 0 HE1 HIS A 130 28.089 -20.709 34.226 1.00 53.43 H new ATOM 0 HE2 HIS A 130 28.202 -18.226 33.698 1.00 42.41 H new ATOM 1964 N HIS A 131 35.394 -19.536 34.882 1.00 31.45 N ATOM 1965 CA HIS A 131 36.733 -19.541 35.498 1.00 42.30 C ATOM 1966 C HIS A 131 36.828 -18.610 36.725 1.00 62.51 C ATOM 1967 O HIS A 131 37.053 -17.406 36.593 1.00 53.43 O ATOM 1968 CB HIS A 131 37.807 -19.175 34.460 1.00 4.34 C ATOM 1969 CG HIS A 131 39.192 -19.103 35.026 1.00 62.03 C ATOM 1970 ND1 HIS A 131 39.875 -20.209 35.484 1.00 24.32 N ATOM 1971 CD2 HIS A 131 40.026 -18.049 35.215 1.00 13.05 C ATOM 1972 CE1 HIS A 131 41.058 -19.842 35.934 1.00 32.41 C ATOM 1973 NE2 HIS A 131 41.176 -18.539 35.782 1.00 43.10 N ATOM 0 H HIS A 131 34.975 -20.463 34.802 1.00 31.45 H new ATOM 0 HA HIS A 131 36.911 -20.555 35.856 1.00 42.30 H new ATOM 0 HB2 HIS A 131 37.790 -19.912 33.657 1.00 4.34 H new ATOM 0 HB3 HIS A 131 37.556 -18.213 34.014 1.00 4.34 H new ATOM 0 HD2 HIS A 131 39.823 -17.018 34.966 1.00 13.05 H new ATOM 0 HE1 HIS A 131 41.804 -20.499 36.356 1.00 32.41 H new ATOM 0 HE2 HIS A 131 41.991 -17.984 36.043 1.00 43.10 H new ATOM 1982 N HIS A 132 36.671 -19.179 37.918 1.00 21.33 N ATOM 1983 CA HIS A 132 36.778 -18.411 39.162 1.00 42.43 C ATOM 1984 C HIS A 132 38.196 -17.849 39.356 1.00 61.11 C ATOM 1985 O HIS A 132 39.163 -18.601 39.523 1.00 51.53 O ATOM 1986 CB HIS A 132 36.390 -19.296 40.354 1.00 11.54 C ATOM 1987 CG HIS A 132 36.394 -18.582 41.674 1.00 34.14 C ATOM 1988 ND1 HIS A 132 37.476 -18.578 42.529 1.00 1.13 N ATOM 1989 CD2 HIS A 132 35.432 -17.856 42.293 1.00 10.32 C ATOM 1990 CE1 HIS A 132 37.183 -17.884 43.610 1.00 13.42 C ATOM 1991 NE2 HIS A 132 35.951 -17.437 43.492 1.00 3.14 N ATOM 0 H HIS A 132 36.469 -20.170 38.052 1.00 21.33 H new ATOM 0 HA HIS A 132 36.092 -17.566 39.100 1.00 42.43 H new ATOM 0 HB2 HIS A 132 35.396 -19.708 40.179 1.00 11.54 H new ATOM 0 HB3 HIS A 132 37.079 -20.139 40.407 1.00 11.54 H new ATOM 0 HD2 HIS A 132 34.443 -17.646 41.914 1.00 10.32 H new ATOM 0 HE1 HIS A 132 37.841 -17.712 44.449 1.00 13.42 H new ATOM 0 HE2 HIS A 132 35.460 -16.869 44.182 1.00 3.14 H new TER 2000 HIS A 132