USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 758 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: T 32 THR OG1 : rot 170:sc= -1.09 USER MOD Set 1.2: T 35 GLN : amide:sc= -0.529 K(o=-1.6,f=-5.2!) USER MOD Set 2.1: T 16 TYR OH : rot 100:sc= 0.232 USER MOD Set 2.2: T 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: T 3 TYR OH : rot 51:sc= 0.764 USER MOD Set 3.2: T 94 ASN : amide:sc= -0.884 K(o=-0.12,f=-9.5!) USER MOD Single : T 1 GLY N :NH3+ -113:sc= 0.295 (180deg=-2.79!) USER MOD Single : T 4 HIS : no HE2:sc= -7.59! C(o=-7.6!,f=-10!) USER MOD Single : T 9 SER OG : rot -44:sc= 0.653 USER MOD Single : T 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 12 TYR OH : rot -70:sc= -0.684 USER MOD Single : T 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 15 THR OG1 : rot 180:sc= 0.0767 USER MOD Single : T 29 HIS : no HE2:sc= -0.959 K(o=-0.96,f=-2.4) USER MOD Single : T 33 TYR OH : rot 180:sc= 0 USER MOD Single : T 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 45 HIS : no HE2:sc= -6.4! C(o=-6.4!,f=-6.6!) USER MOD Single : T 52 MET CE :methyl -138:sc= -0.0277 (180deg=-1.02) USER MOD Single : T 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 59 TYR OH : rot 142:sc= 0.476 USER MOD Single : T 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 67 ASN :FLIP amide:sc= -0.358 F(o=-1.1,f=-0.36) USER MOD Single : T 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 73 THR OG1 : rot 180:sc= 0 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 83 ASN : amide:sc= -0.682 K(o=-0.68,f=-1.3) USER MOD Single : T 85 SER OG : rot -46:sc= 0.171 USER MOD Single : T 91 TYR OH : rot 180:sc= -0.0217 USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD Single : T 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : T 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY T 1 -11.058 4.723 8.678 1.00 0.00 N ATOM 2 CA GLY T 1 -10.709 3.317 8.336 1.00 0.00 C ATOM 3 C GLY T 1 -9.639 3.229 7.266 1.00 0.00 C ATOM 4 O GLY T 1 -9.286 4.233 6.647 1.00 0.00 O ATOM 0 H1 GLY T 1 -10.757 4.928 9.652 1.00 0.00 H new ATOM 0 H2 GLY T 1 -10.575 5.370 8.022 1.00 0.00 H new ATOM 0 H3 GLY T 1 -12.087 4.854 8.599 1.00 0.00 H new ATOM 0 HA2 GLY T 1 -10.364 2.803 9.233 1.00 0.00 H new ATOM 0 HA3 GLY T 1 -11.604 2.797 7.994 1.00 0.00 H new ATOM 10 N VAL T 2 -9.122 2.024 7.047 1.00 0.00 N ATOM 11 CA VAL T 2 -8.086 1.809 6.045 1.00 0.00 C ATOM 12 C VAL T 2 -8.613 0.992 4.874 1.00 0.00 C ATOM 13 O VAL T 2 -9.326 0.006 5.065 1.00 0.00 O ATOM 14 CB VAL T 2 -6.868 1.072 6.635 1.00 0.00 C ATOM 15 CG1 VAL T 2 -5.604 1.420 5.861 1.00 0.00 C ATOM 16 CG2 VAL T 2 -6.705 1.392 8.111 1.00 0.00 C ATOM 0 H VAL T 2 -9.404 1.183 7.550 1.00 0.00 H new ATOM 0 HA VAL T 2 -7.782 2.798 5.702 1.00 0.00 H new ATOM 0 HB VAL T 2 -7.040 -0.000 6.541 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -4.755 0.890 6.293 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -5.723 1.126 4.818 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -5.427 2.494 5.917 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -5.839 0.860 8.505 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -6.560 2.465 8.237 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -7.599 1.081 8.652 1.00 0.00 H new ATOM 26 N TYR T 3 -8.241 1.390 3.664 1.00 0.00 N ATOM 27 CA TYR T 3 -8.667 0.668 2.470 1.00 0.00 C ATOM 28 C TYR T 3 -7.610 0.734 1.379 1.00 0.00 C ATOM 29 O TYR T 3 -6.733 1.598 1.395 1.00 0.00 O ATOM 30 CB TYR T 3 -10.004 1.192 1.938 1.00 0.00 C ATOM 31 CG TYR T 3 -10.104 2.701 1.874 1.00 0.00 C ATOM 32 CD1 TYR T 3 -10.015 3.477 3.021 1.00 0.00 C ATOM 33 CD2 TYR T 3 -10.295 3.346 0.658 1.00 0.00 C ATOM 34 CE1 TYR T 3 -10.112 4.855 2.960 1.00 0.00 C ATOM 35 CE2 TYR T 3 -10.395 4.723 0.589 1.00 0.00 C ATOM 36 CZ TYR T 3 -10.302 5.472 1.742 1.00 0.00 C ATOM 37 OH TYR T 3 -10.403 6.843 1.677 1.00 0.00 O ATOM 0 H TYR T 3 -7.650 2.202 3.483 1.00 0.00 H new ATOM 0 HA TYR T 3 -8.802 -0.374 2.762 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -10.168 0.787 0.940 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.806 0.813 2.571 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -9.868 2.997 3.977 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -10.366 2.762 -0.248 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -10.039 5.445 3.862 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -10.545 5.209 -0.364 1.00 0.00 H new ATOM 0 HH TYR T 3 -9.647 7.249 2.150 1.00 0.00 H new ATOM 47 N HIS T 4 -7.699 -0.195 0.437 1.00 0.00 N ATOM 48 CA HIS T 4 -6.749 -0.262 -0.667 1.00 0.00 C ATOM 49 C HIS T 4 -7.382 0.224 -1.966 1.00 0.00 C ATOM 50 O HIS T 4 -8.605 0.239 -2.108 1.00 0.00 O ATOM 51 CB HIS T 4 -6.239 -1.694 -0.838 1.00 0.00 C ATOM 52 CG HIS T 4 -5.610 -1.951 -2.171 1.00 0.00 C ATOM 53 ND1 HIS T 4 -6.303 -2.477 -3.241 1.00 0.00 N ATOM 54 CD2 HIS T 4 -4.344 -1.751 -2.608 1.00 0.00 C ATOM 55 CE1 HIS T 4 -5.491 -2.591 -4.277 1.00 0.00 C ATOM 56 NE2 HIS T 4 -4.296 -2.156 -3.918 1.00 0.00 N ATOM 0 H HIS T 4 -8.421 -0.915 0.415 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.910 0.392 -0.430 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -5.511 -1.907 -0.055 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -7.070 -2.386 -0.698 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -7.289 -2.738 -3.234 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.524 -1.348 -2.032 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -5.758 -2.974 -5.251 1.00 0.00 H new ATOM 65 N ARG T 5 -6.538 0.625 -2.911 1.00 0.00 N ATOM 66 CA ARG T 5 -7.006 1.119 -4.200 1.00 0.00 C ATOM 67 C ARG T 5 -5.872 1.144 -5.222 1.00 0.00 C ATOM 68 O ARG T 5 -4.700 1.032 -4.864 1.00 0.00 O ATOM 69 CB ARG T 5 -7.586 2.520 -4.035 1.00 0.00 C ATOM 70 CG ARG T 5 -9.094 2.586 -4.212 1.00 0.00 C ATOM 71 CD ARG T 5 -9.474 3.332 -5.480 1.00 0.00 C ATOM 72 NE ARG T 5 -10.839 3.846 -5.427 1.00 0.00 N ATOM 73 CZ ARG T 5 -11.631 3.945 -6.489 1.00 0.00 C ATOM 74 NH1 ARG T 5 -11.196 3.561 -7.681 1.00 0.00 N ATOM 75 NH2 ARG T 5 -12.860 4.425 -6.360 1.00 0.00 N ATOM 0 H ARG T 5 -5.523 0.617 -2.807 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.780 0.444 -4.566 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -7.329 2.895 -3.044 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -7.115 3.185 -4.759 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -9.502 1.576 -4.247 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -9.541 3.081 -3.350 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -8.781 4.159 -5.635 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -9.371 2.666 -6.337 1.00 0.00 H new ATOM 0 HE ARG T 5 -11.206 4.146 -4.524 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -10.252 3.189 -7.784 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -11.805 3.638 -8.495 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -13.199 4.719 -5.444 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -13.466 4.500 -7.177 1.00 0.00 H new ATOM 89 N GLU T 6 -6.229 1.297 -6.494 1.00 0.00 N ATOM 90 CA GLU T 6 -5.239 1.343 -7.565 1.00 0.00 C ATOM 91 C GLU T 6 -5.363 2.632 -8.367 1.00 0.00 C ATOM 92 O GLU T 6 -6.044 3.570 -7.956 1.00 0.00 O ATOM 93 CB GLU T 6 -5.394 0.136 -8.495 1.00 0.00 C ATOM 94 CG GLU T 6 -4.113 -0.661 -8.674 1.00 0.00 C ATOM 95 CD GLU T 6 -3.715 -1.415 -7.420 1.00 0.00 C ATOM 96 OE1 GLU T 6 -4.231 -1.076 -6.335 1.00 0.00 O ATOM 97 OE2 GLU T 6 -2.887 -2.345 -7.523 1.00 0.00 O ATOM 0 H GLU T 6 -7.195 1.391 -6.808 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.251 1.312 -7.106 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -6.168 -0.521 -8.099 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -5.737 0.481 -9.470 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -4.241 -1.368 -9.493 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -3.306 0.014 -8.959 1.00 0.00 H new ATOM 104 N ALA T 7 -4.695 2.667 -9.513 1.00 0.00 N ATOM 105 CA ALA T 7 -4.721 3.837 -10.381 1.00 0.00 C ATOM 106 C ALA T 7 -6.134 4.124 -10.877 1.00 0.00 C ATOM 107 O ALA T 7 -7.100 3.520 -10.410 1.00 0.00 O ATOM 108 CB ALA T 7 -3.777 3.642 -11.557 1.00 0.00 C ATOM 0 H ALA T 7 -4.127 1.896 -9.864 1.00 0.00 H new ATOM 0 HA ALA T 7 -4.388 4.696 -9.799 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -3.806 4.524 -12.197 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.762 3.495 -11.188 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -4.085 2.767 -12.130 1.00 0.00 H new ATOM 114 N ARG T 8 -6.248 5.049 -11.825 1.00 0.00 N ATOM 115 CA ARG T 8 -7.545 5.416 -12.385 1.00 0.00 C ATOM 116 C ARG T 8 -8.384 4.174 -12.669 1.00 0.00 C ATOM 117 O ARG T 8 -9.607 4.197 -12.537 1.00 0.00 O ATOM 118 CB ARG T 8 -7.359 6.225 -13.670 1.00 0.00 C ATOM 119 CG ARG T 8 -7.462 7.728 -13.467 1.00 0.00 C ATOM 120 CD ARG T 8 -8.897 8.166 -13.218 1.00 0.00 C ATOM 121 NE ARG T 8 -9.179 9.473 -13.805 1.00 0.00 N ATOM 122 CZ ARG T 8 -10.122 10.294 -13.356 1.00 0.00 C ATOM 123 NH1 ARG T 8 -10.871 9.944 -12.318 1.00 0.00 N ATOM 124 NH2 ARG T 8 -10.319 11.466 -13.943 1.00 0.00 N ATOM 0 H ARG T 8 -5.458 5.558 -12.222 1.00 0.00 H new ATOM 0 HA ARG T 8 -8.070 6.028 -11.652 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -6.384 5.991 -14.098 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -8.109 5.913 -14.397 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -6.840 8.024 -12.623 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -7.072 8.241 -14.346 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -9.580 7.426 -13.636 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -9.084 8.202 -12.145 1.00 0.00 H new ATOM 0 HE ARG T 8 -8.621 9.772 -14.604 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -10.723 9.043 -11.863 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -11.594 10.576 -11.975 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -9.746 11.739 -14.741 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -11.044 12.095 -13.596 1.00 0.00 H new ATOM 138 N SER T 9 -7.715 3.094 -13.060 1.00 0.00 N ATOM 139 CA SER T 9 -8.398 1.841 -13.362 1.00 0.00 C ATOM 140 C SER T 9 -7.396 0.747 -13.721 1.00 0.00 C ATOM 141 O SER T 9 -7.755 -0.258 -14.335 1.00 0.00 O ATOM 142 CB SER T 9 -9.387 2.038 -14.513 1.00 0.00 C ATOM 143 OG SER T 9 -10.203 0.893 -14.687 1.00 0.00 O ATOM 0 H SER T 9 -6.702 3.061 -13.175 1.00 0.00 H new ATOM 0 HA SER T 9 -8.944 1.532 -12.471 1.00 0.00 H new ATOM 0 HB2 SER T 9 -10.013 2.908 -14.313 1.00 0.00 H new ATOM 0 HB3 SER T 9 -8.841 2.243 -15.434 1.00 0.00 H new ATOM 0 HG SER T 9 -9.650 0.086 -14.629 1.00 0.00 H new ATOM 149 N GLY T 10 -6.138 0.946 -13.335 1.00 0.00 N ATOM 150 CA GLY T 10 -5.112 -0.037 -13.629 1.00 0.00 C ATOM 151 C GLY T 10 -4.293 -0.403 -12.410 1.00 0.00 C ATOM 152 O GLY T 10 -4.271 0.328 -11.420 1.00 0.00 O ATOM 0 H GLY T 10 -5.813 1.768 -12.826 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -5.579 -0.936 -14.032 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -4.451 0.353 -14.403 1.00 0.00 H new ATOM 156 N LYS T 11 -3.625 -1.546 -12.487 1.00 0.00 N ATOM 157 CA LYS T 11 -2.800 -2.035 -11.392 1.00 0.00 C ATOM 158 C LYS T 11 -1.326 -1.708 -11.613 1.00 0.00 C ATOM 159 O LYS T 11 -0.890 -1.483 -12.743 1.00 0.00 O ATOM 160 CB LYS T 11 -2.972 -3.545 -11.250 1.00 0.00 C ATOM 161 CG LYS T 11 -2.204 -4.135 -10.077 1.00 0.00 C ATOM 162 CD LYS T 11 -3.110 -4.951 -9.171 1.00 0.00 C ATOM 163 CE LYS T 11 -2.372 -6.132 -8.564 1.00 0.00 C ATOM 164 NZ LYS T 11 -3.138 -7.401 -8.707 1.00 0.00 N ATOM 0 H LYS T 11 -3.639 -2.156 -13.304 1.00 0.00 H new ATOM 0 HA LYS T 11 -3.125 -1.536 -10.479 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -4.031 -3.773 -11.132 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -2.643 -4.028 -12.170 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -1.397 -4.766 -10.450 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -1.742 -3.332 -9.503 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -3.499 -4.315 -8.375 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -3.968 -5.310 -9.740 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -1.400 -6.239 -9.046 1.00 0.00 H new ATOM 0 HE3 LYS T 11 -2.185 -5.939 -7.508 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -2.600 -8.182 -8.280 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -4.055 -7.309 -8.225 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -3.295 -7.600 -9.716 1.00 0.00 H new ATOM 178 N TYR T 12 -0.565 -1.698 -10.523 1.00 0.00 N ATOM 179 CA TYR T 12 0.865 -1.415 -10.580 1.00 0.00 C ATOM 180 C TYR T 12 1.168 -0.255 -11.523 1.00 0.00 C ATOM 181 O TYR T 12 1.900 -0.411 -12.501 1.00 0.00 O ATOM 182 CB TYR T 12 1.629 -2.664 -11.019 1.00 0.00 C ATOM 183 CG TYR T 12 1.531 -3.808 -10.037 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.663 -3.587 -8.672 1.00 0.00 C ATOM 185 CD2 TYR T 12 1.310 -5.108 -10.472 1.00 0.00 C ATOM 186 CE1 TYR T 12 1.579 -4.628 -7.769 1.00 0.00 C ATOM 187 CE2 TYR T 12 1.224 -6.156 -9.575 1.00 0.00 C ATOM 188 CZ TYR T 12 1.359 -5.911 -8.224 1.00 0.00 C ATOM 189 OH TYR T 12 1.274 -6.951 -7.328 1.00 0.00 O ATOM 0 H TYR T 12 -0.918 -1.884 -9.584 1.00 0.00 H new ATOM 0 HA TYR T 12 1.190 -1.126 -9.581 1.00 0.00 H new ATOM 0 HB2 TYR T 12 1.248 -2.992 -11.986 1.00 0.00 H new ATOM 0 HB3 TYR T 12 2.679 -2.407 -11.161 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.834 -2.584 -8.311 1.00 0.00 H new ATOM 0 HD2 TYR T 12 1.204 -5.303 -11.529 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.685 -4.438 -6.711 1.00 0.00 H new ATOM 0 HE2 TYR T 12 1.052 -7.161 -9.930 1.00 0.00 H new ATOM 0 HH TYR T 12 2.158 -7.122 -6.940 1.00 0.00 H new ATOM 199 N LYS T 13 0.605 0.908 -11.216 1.00 0.00 N ATOM 200 CA LYS T 13 0.815 2.101 -12.027 1.00 0.00 C ATOM 201 C LYS T 13 0.740 3.354 -11.162 1.00 0.00 C ATOM 202 O LYS T 13 0.694 4.474 -11.673 1.00 0.00 O ATOM 203 CB LYS T 13 -0.227 2.178 -13.144 1.00 0.00 C ATOM 204 CG LYS T 13 -0.109 1.062 -14.169 1.00 0.00 C ATOM 205 CD LYS T 13 0.465 1.567 -15.482 1.00 0.00 C ATOM 206 CE LYS T 13 -0.428 1.202 -16.657 1.00 0.00 C ATOM 207 NZ LYS T 13 -0.018 -0.082 -17.290 1.00 0.00 N ATOM 0 H LYS T 13 -0.002 1.050 -10.409 1.00 0.00 H new ATOM 0 HA LYS T 13 1.807 2.040 -12.474 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -1.223 2.149 -12.702 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.131 3.137 -13.652 1.00 0.00 H new ATOM 0 HG2 LYS T 13 0.527 0.270 -13.774 1.00 0.00 H new ATOM 0 HG3 LYS T 13 -1.091 0.624 -14.345 1.00 0.00 H new ATOM 0 HD2 LYS T 13 0.583 2.650 -15.436 1.00 0.00 H new ATOM 0 HD3 LYS T 13 1.458 1.144 -15.633 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -1.461 1.126 -16.318 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -0.395 1.999 -17.399 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -0.652 -0.294 -18.087 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 0.959 -0.001 -17.637 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 -0.074 -0.848 -16.589 1.00 0.00 H new ATOM 221 N LEU T 14 0.715 3.154 -9.848 1.00 0.00 N ATOM 222 CA LEU T 14 0.632 4.260 -8.906 1.00 0.00 C ATOM 223 C LEU T 14 1.963 4.499 -8.204 1.00 0.00 C ATOM 224 O LEU T 14 2.524 3.594 -7.586 1.00 0.00 O ATOM 225 CB LEU T 14 -0.448 3.970 -7.865 1.00 0.00 C ATOM 226 CG LEU T 14 -1.879 4.269 -8.309 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.852 3.995 -7.174 1.00 0.00 C ATOM 228 CD2 LEU T 14 -2.002 5.707 -8.788 1.00 0.00 C ATOM 0 H LEU T 14 0.751 2.232 -9.412 1.00 0.00 H new ATOM 0 HA LEU T 14 0.378 5.159 -9.467 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.385 2.919 -7.583 1.00 0.00 H new ATOM 0 HB3 LEU T 14 -0.233 4.554 -6.970 1.00 0.00 H new ATOM 0 HG LEU T 14 -2.128 3.612 -9.142 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.868 4.212 -7.505 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.783 2.948 -6.880 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.605 4.628 -6.322 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -3.028 5.900 -9.100 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.736 6.385 -7.977 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -1.330 5.868 -9.631 1.00 0.00 H new ATOM 240 N THR T 15 2.451 5.731 -8.288 1.00 0.00 N ATOM 241 CA THR T 15 3.702 6.104 -7.646 1.00 0.00 C ATOM 242 C THR T 15 3.420 6.819 -6.331 1.00 0.00 C ATOM 243 O THR T 15 2.433 7.542 -6.218 1.00 0.00 O ATOM 244 CB THR T 15 4.552 7.020 -8.547 1.00 0.00 C ATOM 245 OG1 THR T 15 4.240 8.393 -8.284 1.00 0.00 O ATOM 246 CG2 THR T 15 4.307 6.712 -10.017 1.00 0.00 C ATOM 0 H THR T 15 1.996 6.489 -8.796 1.00 0.00 H new ATOM 0 HA THR T 15 4.262 5.187 -7.461 1.00 0.00 H new ATOM 0 HB THR T 15 5.603 6.837 -8.324 1.00 0.00 H new ATOM 0 HG1 THR T 15 4.786 8.969 -8.860 1.00 0.00 H new ATOM 0 HG21 THR T 15 4.918 7.371 -10.634 1.00 0.00 H new ATOM 0 HG22 THR T 15 4.573 5.675 -10.221 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.254 6.869 -10.251 1.00 0.00 H new ATOM 254 N TYR T 16 4.277 6.611 -5.338 1.00 0.00 N ATOM 255 CA TYR T 16 4.092 7.241 -4.035 1.00 0.00 C ATOM 256 C TYR T 16 3.462 8.622 -4.183 1.00 0.00 C ATOM 257 O TYR T 16 2.583 9.001 -3.410 1.00 0.00 O ATOM 258 CB TYR T 16 5.424 7.358 -3.298 1.00 0.00 C ATOM 259 CG TYR T 16 5.337 8.169 -2.025 1.00 0.00 C ATOM 260 CD1 TYR T 16 4.761 7.637 -0.877 1.00 0.00 C ATOM 261 CD2 TYR T 16 5.826 9.467 -1.975 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.678 8.378 0.286 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.746 10.214 -0.814 1.00 0.00 C ATOM 264 CZ TYR T 16 5.171 9.666 0.312 1.00 0.00 C ATOM 265 OH TYR T 16 5.090 10.406 1.468 1.00 0.00 O ATOM 0 H TYR T 16 5.102 6.015 -5.408 1.00 0.00 H new ATOM 0 HA TYR T 16 3.420 6.610 -3.453 1.00 0.00 H new ATOM 0 HB2 TYR T 16 5.788 6.359 -3.059 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.159 7.814 -3.961 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.373 6.629 -0.895 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.276 9.900 -2.856 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.229 7.951 1.171 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.132 11.222 -0.790 1.00 0.00 H new ATOM 0 HH TYR T 16 5.956 10.393 1.926 1.00 0.00 H new ATOM 275 N ALA T 17 3.917 9.370 -5.184 1.00 0.00 N ATOM 276 CA ALA T 17 3.398 10.709 -5.434 1.00 0.00 C ATOM 277 C ALA T 17 1.953 10.658 -5.923 1.00 0.00 C ATOM 278 O ALA T 17 1.101 11.405 -5.443 1.00 0.00 O ATOM 279 CB ALA T 17 4.279 11.432 -6.441 1.00 0.00 C ATOM 0 H ALA T 17 4.644 9.071 -5.834 1.00 0.00 H new ATOM 0 HA ALA T 17 3.411 11.261 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.882 12.431 -6.620 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.293 11.509 -6.048 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.294 10.874 -7.377 1.00 0.00 H new ATOM 285 N GLU T 18 1.679 9.767 -6.874 1.00 0.00 N ATOM 286 CA GLU T 18 0.337 9.618 -7.415 1.00 0.00 C ATOM 287 C GLU T 18 -0.567 8.932 -6.398 1.00 0.00 C ATOM 288 O GLU T 18 -1.644 9.430 -6.069 1.00 0.00 O ATOM 289 CB GLU T 18 0.383 8.806 -8.708 1.00 0.00 C ATOM 290 CG GLU T 18 1.247 9.436 -9.788 1.00 0.00 C ATOM 291 CD GLU T 18 1.409 8.541 -11.001 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.391 7.304 -10.833 1.00 0.00 O ATOM 293 OE2 GLU T 18 1.553 9.079 -12.119 1.00 0.00 O ATOM 0 H GLU T 18 2.371 9.139 -7.283 1.00 0.00 H new ATOM 0 HA GLU T 18 -0.067 10.607 -7.632 1.00 0.00 H new ATOM 0 HB2 GLU T 18 0.761 7.808 -8.488 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.631 8.686 -9.089 1.00 0.00 H new ATOM 0 HG2 GLU T 18 0.804 10.383 -10.096 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.230 9.664 -9.375 1.00 0.00 H new ATOM 300 N ALA T 19 -0.109 7.789 -5.901 1.00 0.00 N ATOM 301 CA ALA T 19 -0.855 7.023 -4.913 1.00 0.00 C ATOM 302 C ALA T 19 -1.389 7.930 -3.811 1.00 0.00 C ATOM 303 O ALA T 19 -2.570 7.880 -3.468 1.00 0.00 O ATOM 304 CB ALA T 19 0.038 5.942 -4.323 1.00 0.00 C ATOM 0 H ALA T 19 0.782 7.371 -6.169 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.708 6.555 -5.405 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.523 5.370 -3.584 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.376 5.276 -5.117 1.00 0.00 H new ATOM 0 HB3 ALA T 19 0.902 6.404 -3.845 1.00 0.00 H new ATOM 310 N LYS T 20 -0.507 8.759 -3.263 1.00 0.00 N ATOM 311 CA LYS T 20 -0.881 9.682 -2.200 1.00 0.00 C ATOM 312 C LYS T 20 -1.866 10.729 -2.710 1.00 0.00 C ATOM 313 O LYS T 20 -2.963 10.873 -2.174 1.00 0.00 O ATOM 314 CB LYS T 20 0.364 10.370 -1.638 1.00 0.00 C ATOM 315 CG LYS T 20 0.145 11.013 -0.278 1.00 0.00 C ATOM 316 CD LYS T 20 1.321 11.890 0.119 1.00 0.00 C ATOM 317 CE LYS T 20 1.046 12.643 1.411 1.00 0.00 C ATOM 318 NZ LYS T 20 2.193 12.565 2.357 1.00 0.00 N ATOM 0 H LYS T 20 0.474 8.810 -3.539 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.364 9.110 -1.408 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.168 9.638 -1.559 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.696 11.133 -2.342 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.766 11.612 -0.300 1.00 0.00 H new ATOM 0 HG3 LYS T 20 -0.002 10.237 0.473 1.00 0.00 H new ATOM 0 HD2 LYS T 20 2.212 11.273 0.239 1.00 0.00 H new ATOM 0 HD3 LYS T 20 1.531 12.601 -0.680 1.00 0.00 H new ATOM 0 HE2 LYS T 20 0.834 13.688 1.184 1.00 0.00 H new ATOM 0 HE3 LYS T 20 0.155 12.233 1.887 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 1.964 13.091 3.224 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 2.380 11.570 2.595 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 3.038 12.979 1.914 1.00 0.00 H new ATOM 332 N ALA T 21 -1.464 11.457 -3.745 1.00 0.00 N ATOM 333 CA ALA T 21 -2.308 12.494 -4.327 1.00 0.00 C ATOM 334 C ALA T 21 -3.763 12.044 -4.415 1.00 0.00 C ATOM 335 O ALA T 21 -4.678 12.811 -4.119 1.00 0.00 O ATOM 336 CB ALA T 21 -1.794 12.885 -5.704 1.00 0.00 C ATOM 0 H ALA T 21 -0.557 11.348 -4.199 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.265 13.364 -3.672 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -2.435 13.660 -6.125 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -0.775 13.263 -5.618 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -1.803 12.012 -6.357 1.00 0.00 H new ATOM 342 N VAL T 22 -3.968 10.799 -4.827 1.00 0.00 N ATOM 343 CA VAL T 22 -5.313 10.246 -4.959 1.00 0.00 C ATOM 344 C VAL T 22 -5.979 10.071 -3.599 1.00 0.00 C ATOM 345 O VAL T 22 -7.111 10.504 -3.391 1.00 0.00 O ATOM 346 CB VAL T 22 -5.290 8.889 -5.689 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.504 8.056 -5.311 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.221 9.095 -7.195 1.00 0.00 C ATOM 0 H VAL T 22 -3.220 10.152 -5.076 1.00 0.00 H new ATOM 0 HA VAL T 22 -5.890 10.959 -5.547 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.398 8.345 -5.378 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.469 7.102 -5.837 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.502 7.878 -4.236 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.413 8.590 -5.589 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -5.206 8.126 -7.694 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -6.093 9.660 -7.525 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.315 9.647 -7.446 1.00 0.00 H new ATOM 358 N CYS T 23 -5.271 9.431 -2.680 1.00 0.00 N ATOM 359 CA CYS T 23 -5.791 9.196 -1.341 1.00 0.00 C ATOM 360 C CYS T 23 -6.021 10.514 -0.610 1.00 0.00 C ATOM 361 O CYS T 23 -7.083 10.736 -0.028 1.00 0.00 O ATOM 362 CB CYS T 23 -4.824 8.315 -0.553 1.00 0.00 C ATOM 363 SG CYS T 23 -4.820 6.571 -1.077 1.00 0.00 S ATOM 0 H CYS T 23 -4.332 9.064 -2.838 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.749 8.684 -1.427 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -3.816 8.717 -0.655 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -5.082 8.366 0.505 1.00 0.00 H new ATOM 368 N GLU T 24 -5.021 11.387 -0.651 1.00 0.00 N ATOM 369 CA GLU T 24 -5.114 12.688 0.001 1.00 0.00 C ATOM 370 C GLU T 24 -6.006 13.630 -0.799 1.00 0.00 C ATOM 371 O GLU T 24 -6.367 14.710 -0.331 1.00 0.00 O ATOM 372 CB GLU T 24 -3.722 13.300 0.167 1.00 0.00 C ATOM 373 CG GLU T 24 -3.676 14.457 1.151 1.00 0.00 C ATOM 374 CD GLU T 24 -2.287 14.692 1.713 1.00 0.00 C ATOM 375 OE1 GLU T 24 -1.387 15.064 0.933 1.00 0.00 O ATOM 376 OE2 GLU T 24 -2.102 14.504 2.934 1.00 0.00 O ATOM 0 H GLU T 24 -4.136 11.217 -1.129 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.557 12.544 0.986 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.031 12.525 0.499 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.369 13.647 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -4.021 15.364 0.655 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.367 14.259 1.971 1.00 0.00 H new ATOM 383 N PHE T 25 -6.360 13.210 -2.010 1.00 0.00 N ATOM 384 CA PHE T 25 -7.211 14.011 -2.882 1.00 0.00 C ATOM 385 C PHE T 25 -8.520 14.365 -2.188 1.00 0.00 C ATOM 386 O PHE T 25 -8.915 15.529 -2.135 1.00 0.00 O ATOM 387 CB PHE T 25 -7.502 13.254 -4.178 1.00 0.00 C ATOM 388 CG PHE T 25 -7.445 14.117 -5.405 1.00 0.00 C ATOM 389 CD1 PHE T 25 -6.229 14.538 -5.915 1.00 0.00 C ATOM 390 CD2 PHE T 25 -8.610 14.505 -6.048 1.00 0.00 C ATOM 391 CE1 PHE T 25 -6.171 15.331 -7.044 1.00 0.00 C ATOM 392 CE2 PHE T 25 -8.559 15.299 -7.179 1.00 0.00 C ATOM 393 CZ PHE T 25 -7.339 15.712 -7.678 1.00 0.00 C ATOM 0 H PHE T 25 -6.070 12.318 -2.410 1.00 0.00 H new ATOM 0 HA PHE T 25 -6.681 14.934 -3.116 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -6.784 12.441 -4.283 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.490 12.800 -4.109 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -5.314 14.242 -5.424 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -9.566 14.184 -5.662 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -5.215 15.653 -7.431 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -9.473 15.596 -7.672 1.00 0.00 H new ATOM 0 HZ PHE T 25 -7.298 16.331 -8.562 1.00 0.00 H new ATOM 403 N GLU T 26 -9.188 13.347 -1.661 1.00 0.00 N ATOM 404 CA GLU T 26 -10.459 13.540 -0.971 1.00 0.00 C ATOM 405 C GLU T 26 -10.257 13.639 0.536 1.00 0.00 C ATOM 406 O GLU T 26 -10.822 12.862 1.305 1.00 0.00 O ATOM 407 CB GLU T 26 -11.412 12.395 -1.302 1.00 0.00 C ATOM 408 CG GLU T 26 -11.544 12.139 -2.792 1.00 0.00 C ATOM 409 CD GLU T 26 -12.519 11.022 -3.110 1.00 0.00 C ATOM 410 OE1 GLU T 26 -12.190 9.850 -2.832 1.00 0.00 O ATOM 411 OE2 GLU T 26 -13.612 11.320 -3.636 1.00 0.00 O ATOM 0 H GLU T 26 -8.871 12.378 -1.698 1.00 0.00 H new ATOM 0 HA GLU T 26 -10.894 14.478 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.061 11.486 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.396 12.619 -0.890 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -11.872 13.054 -3.286 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.565 11.889 -3.202 1.00 0.00 H new ATOM 418 N GLY T 27 -9.451 14.611 0.946 1.00 0.00 N ATOM 419 CA GLY T 27 -9.182 14.817 2.355 1.00 0.00 C ATOM 420 C GLY T 27 -8.779 13.537 3.063 1.00 0.00 C ATOM 421 O GLY T 27 -8.994 13.393 4.266 1.00 0.00 O ATOM 0 H GLY T 27 -8.976 15.264 0.322 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -8.388 15.555 2.466 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -10.070 15.230 2.835 1.00 0.00 H new ATOM 425 N GLY T 28 -8.190 12.609 2.318 1.00 0.00 N ATOM 426 CA GLY T 28 -7.762 11.351 2.902 1.00 0.00 C ATOM 427 C GLY T 28 -6.252 11.277 3.018 1.00 0.00 C ATOM 428 O GLY T 28 -5.561 12.276 2.814 1.00 0.00 O ATOM 0 H GLY T 28 -8.001 12.705 1.320 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -8.210 11.236 3.889 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -8.122 10.524 2.290 1.00 0.00 H new ATOM 432 N HIS T 29 -5.736 10.097 3.344 1.00 0.00 N ATOM 433 CA HIS T 29 -4.298 9.908 3.481 1.00 0.00 C ATOM 434 C HIS T 29 -3.928 8.452 3.240 1.00 0.00 C ATOM 435 O HIS T 29 -4.564 7.546 3.777 1.00 0.00 O ATOM 436 CB HIS T 29 -3.825 10.341 4.869 1.00 0.00 C ATOM 437 CG HIS T 29 -4.925 10.858 5.743 1.00 0.00 C ATOM 438 ND1 HIS T 29 -5.306 12.183 5.772 1.00 0.00 N ATOM 439 CD2 HIS T 29 -5.732 10.218 6.624 1.00 0.00 C ATOM 440 CE1 HIS T 29 -6.296 12.336 6.633 1.00 0.00 C ATOM 441 NE2 HIS T 29 -6.573 11.159 7.162 1.00 0.00 N ATOM 0 H HIS T 29 -6.291 9.259 3.518 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.803 10.528 2.734 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.349 9.494 5.362 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.065 11.115 4.760 1.00 0.00 H new ATOM 0 HD1 HIS T 29 -4.888 12.929 5.215 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -5.716 9.164 6.859 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -6.794 13.266 6.865 1.00 0.00 H new ATOM 450 N LEU T 30 -2.898 8.230 2.434 1.00 0.00 N ATOM 451 CA LEU T 30 -2.462 6.875 2.139 1.00 0.00 C ATOM 452 C LEU T 30 -1.961 6.192 3.404 1.00 0.00 C ATOM 453 O LEU T 30 -1.068 6.693 4.088 1.00 0.00 O ATOM 454 CB LEU T 30 -1.385 6.870 1.049 1.00 0.00 C ATOM 455 CG LEU T 30 0.020 6.471 1.506 1.00 0.00 C ATOM 456 CD1 LEU T 30 0.278 5.004 1.207 1.00 0.00 C ATOM 457 CD2 LEU T 30 1.069 7.348 0.835 1.00 0.00 C ATOM 0 H LEU T 30 -2.355 8.963 1.978 1.00 0.00 H new ATOM 0 HA LEU T 30 -3.317 6.314 1.762 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -1.697 6.188 0.258 1.00 0.00 H new ATOM 0 HB3 LEU T 30 -1.335 7.866 0.609 1.00 0.00 H new ATOM 0 HG LEU T 30 0.089 6.620 2.584 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.281 4.736 1.538 1.00 0.00 H new ATOM 0 HD12 LEU T 30 -0.454 4.391 1.734 1.00 0.00 H new ATOM 0 HD13 LEU T 30 0.192 4.831 0.134 1.00 0.00 H new ATOM 0 HD21 LEU T 30 2.062 7.050 1.172 1.00 0.00 H new ATOM 0 HD22 LEU T 30 1.003 7.232 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU T 30 0.894 8.391 1.099 1.00 0.00 H new ATOM 469 N ALA T 31 -2.562 5.051 3.718 1.00 0.00 N ATOM 470 CA ALA T 31 -2.201 4.295 4.909 1.00 0.00 C ATOM 471 C ALA T 31 -0.695 4.066 4.986 1.00 0.00 C ATOM 472 O ALA T 31 0.015 4.207 3.992 1.00 0.00 O ATOM 473 CB ALA T 31 -2.942 2.967 4.935 1.00 0.00 C ATOM 0 H ALA T 31 -3.305 4.628 3.161 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.494 4.880 5.780 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.663 2.412 5.831 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -4.017 3.150 4.942 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.678 2.386 4.051 1.00 0.00 H new ATOM 479 N THR T 32 -0.214 3.711 6.174 1.00 0.00 N ATOM 480 CA THR T 32 1.208 3.464 6.377 1.00 0.00 C ATOM 481 C THR T 32 1.490 1.981 6.573 1.00 0.00 C ATOM 482 O THR T 32 0.650 1.132 6.278 1.00 0.00 O ATOM 483 CB THR T 32 1.745 4.224 7.604 1.00 0.00 C ATOM 484 OG1 THR T 32 1.258 3.616 8.807 1.00 0.00 O ATOM 485 CG2 THR T 32 1.329 5.685 7.560 1.00 0.00 C ATOM 0 H THR T 32 -0.788 3.588 7.008 1.00 0.00 H new ATOM 0 HA THR T 32 1.713 3.820 5.479 1.00 0.00 H new ATOM 0 HB THR T 32 2.834 4.175 7.589 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.726 3.998 9.579 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.720 6.201 8.437 1.00 0.00 H new ATOM 0 HG22 THR T 32 1.727 6.150 6.658 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.241 5.754 7.554 1.00 0.00 H new ATOM 493 N TYR T 33 2.679 1.682 7.084 1.00 0.00 N ATOM 494 CA TYR T 33 3.079 0.305 7.337 1.00 0.00 C ATOM 495 C TYR T 33 2.371 -0.228 8.573 1.00 0.00 C ATOM 496 O TYR T 33 1.458 -1.047 8.479 1.00 0.00 O ATOM 497 CB TYR T 33 4.594 0.221 7.534 1.00 0.00 C ATOM 498 CG TYR T 33 5.064 -1.033 8.239 1.00 0.00 C ATOM 499 CD1 TYR T 33 4.970 -2.279 7.627 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.605 -0.971 9.518 1.00 0.00 C ATOM 501 CE1 TYR T 33 5.399 -3.423 8.271 1.00 0.00 C ATOM 502 CE2 TYR T 33 6.036 -2.111 10.167 1.00 0.00 C ATOM 503 CZ TYR T 33 5.931 -3.334 9.540 1.00 0.00 C ATOM 504 OH TYR T 33 6.359 -4.472 10.184 1.00 0.00 O ATOM 0 H TYR T 33 3.383 2.377 7.331 1.00 0.00 H new ATOM 0 HA TYR T 33 2.799 -0.301 6.476 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.079 0.279 6.559 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.923 1.089 8.105 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.555 -2.353 6.633 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.690 -0.015 10.013 1.00 0.00 H new ATOM 0 HE1 TYR T 33 5.318 -4.383 7.783 1.00 0.00 H new ATOM 0 HE2 TYR T 33 6.453 -2.045 11.161 1.00 0.00 H new ATOM 0 HH TYR T 33 6.708 -4.236 11.069 1.00 0.00 H new ATOM 514 N LYS T 34 2.806 0.250 9.729 1.00 0.00 N ATOM 515 CA LYS T 34 2.226 -0.163 10.999 1.00 0.00 C ATOM 516 C LYS T 34 0.703 -0.098 10.947 1.00 0.00 C ATOM 517 O LYS T 34 0.018 -0.952 11.510 1.00 0.00 O ATOM 518 CB LYS T 34 2.745 0.721 12.134 1.00 0.00 C ATOM 519 CG LYS T 34 4.108 0.311 12.669 1.00 0.00 C ATOM 520 CD LYS T 34 4.241 0.617 14.152 1.00 0.00 C ATOM 521 CE LYS T 34 5.696 0.762 14.565 1.00 0.00 C ATOM 522 NZ LYS T 34 6.010 -0.037 15.781 1.00 0.00 N ATOM 0 H LYS T 34 3.563 0.928 9.814 1.00 0.00 H new ATOM 0 HA LYS T 34 2.524 -1.195 11.186 1.00 0.00 H new ATOM 0 HB2 LYS T 34 2.800 1.751 11.781 1.00 0.00 H new ATOM 0 HB3 LYS T 34 2.025 0.702 12.952 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.260 -0.755 12.502 1.00 0.00 H new ATOM 0 HG3 LYS T 34 4.889 0.834 12.117 1.00 0.00 H new ATOM 0 HD2 LYS T 34 3.703 1.536 14.384 1.00 0.00 H new ATOM 0 HD3 LYS T 34 3.775 -0.180 14.732 1.00 0.00 H new ATOM 0 HE2 LYS T 34 6.340 0.443 13.745 1.00 0.00 H new ATOM 0 HE3 LYS T 34 5.917 1.813 14.754 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 7.012 0.089 16.030 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 5.414 0.284 16.571 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 5.824 -1.043 15.593 1.00 0.00 H new ATOM 536 N GLN T 35 0.177 0.917 10.269 1.00 0.00 N ATOM 537 CA GLN T 35 -1.262 1.083 10.148 1.00 0.00 C ATOM 538 C GLN T 35 -1.859 -0.040 9.313 1.00 0.00 C ATOM 539 O GLN T 35 -2.762 -0.747 9.762 1.00 0.00 O ATOM 540 CB GLN T 35 -1.584 2.437 9.520 1.00 0.00 C ATOM 541 CG GLN T 35 -1.168 3.619 10.380 1.00 0.00 C ATOM 542 CD GLN T 35 -1.458 4.953 9.721 1.00 0.00 C ATOM 543 OE1 GLN T 35 -1.731 5.019 8.522 1.00 0.00 O ATOM 544 NE2 GLN T 35 -1.396 6.024 10.502 1.00 0.00 N ATOM 0 H GLN T 35 0.727 1.634 9.797 1.00 0.00 H new ATOM 0 HA GLN T 35 -1.702 1.044 11.145 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.085 2.508 8.553 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -2.656 2.495 9.331 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -1.690 3.569 11.336 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.102 3.549 10.595 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -1.166 5.922 11.490 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -1.578 6.949 10.114 1.00 0.00 H new ATOM 553 N LEU T 36 -1.341 -0.213 8.103 1.00 0.00 N ATOM 554 CA LEU T 36 -1.821 -1.267 7.222 1.00 0.00 C ATOM 555 C LEU T 36 -1.661 -2.619 7.904 1.00 0.00 C ATOM 556 O LEU T 36 -2.356 -3.581 7.577 1.00 0.00 O ATOM 557 CB LEU T 36 -1.064 -1.250 5.893 1.00 0.00 C ATOM 558 CG LEU T 36 -1.744 -1.992 4.737 1.00 0.00 C ATOM 559 CD1 LEU T 36 -1.373 -3.466 4.761 1.00 0.00 C ATOM 560 CD2 LEU T 36 -3.256 -1.819 4.800 1.00 0.00 C ATOM 0 H LEU T 36 -0.593 0.360 7.712 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.877 -1.094 7.013 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.910 -0.213 5.596 1.00 0.00 H new ATOM 0 HB3 LEU T 36 -0.077 -1.686 6.051 1.00 0.00 H new ATOM 0 HG LEU T 36 -1.392 -1.562 3.799 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -1.864 -3.978 3.934 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -0.293 -3.571 4.663 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -1.696 -3.907 5.704 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -3.718 -2.354 3.970 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.629 -2.219 5.743 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -3.504 -0.760 4.732 1.00 0.00 H new ATOM 572 N GLU T 37 -0.747 -2.673 8.868 1.00 0.00 N ATOM 573 CA GLU T 37 -0.495 -3.894 9.620 1.00 0.00 C ATOM 574 C GLU T 37 -1.670 -4.201 10.533 1.00 0.00 C ATOM 575 O GLU T 37 -2.326 -5.235 10.398 1.00 0.00 O ATOM 576 CB GLU T 37 0.780 -3.751 10.449 1.00 0.00 C ATOM 577 CG GLU T 37 1.201 -5.038 11.133 1.00 0.00 C ATOM 578 CD GLU T 37 2.024 -4.795 12.383 1.00 0.00 C ATOM 579 OE1 GLU T 37 1.423 -4.559 13.453 1.00 0.00 O ATOM 580 OE2 GLU T 37 3.269 -4.839 12.292 1.00 0.00 O ATOM 0 H GLU T 37 -0.167 -1.881 9.146 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.369 -4.715 8.915 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.589 -3.410 9.802 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.629 -2.979 11.204 1.00 0.00 H new ATOM 0 HG2 GLU T 37 0.313 -5.613 11.394 1.00 0.00 H new ATOM 0 HG3 GLU T 37 1.779 -5.643 10.435 1.00 0.00 H new ATOM 587 N ALA T 38 -1.933 -3.289 11.458 1.00 0.00 N ATOM 588 CA ALA T 38 -3.033 -3.447 12.395 1.00 0.00 C ATOM 589 C ALA T 38 -4.359 -3.557 11.655 1.00 0.00 C ATOM 590 O ALA T 38 -5.374 -3.953 12.229 1.00 0.00 O ATOM 591 CB ALA T 38 -3.065 -2.288 13.380 1.00 0.00 C ATOM 0 H ALA T 38 -1.397 -2.430 11.579 1.00 0.00 H new ATOM 0 HA ALA T 38 -2.877 -4.370 12.954 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -3.895 -2.423 14.074 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -2.128 -2.257 13.936 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -3.195 -1.352 12.837 1.00 0.00 H new ATOM 597 N ALA T 39 -4.335 -3.218 10.372 1.00 0.00 N ATOM 598 CA ALA T 39 -5.523 -3.292 9.535 1.00 0.00 C ATOM 599 C ALA T 39 -5.561 -4.627 8.817 1.00 0.00 C ATOM 600 O ALA T 39 -6.624 -5.155 8.500 1.00 0.00 O ATOM 601 CB ALA T 39 -5.535 -2.150 8.532 1.00 0.00 C ATOM 0 H ALA T 39 -3.500 -2.888 9.888 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.408 -3.204 10.165 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.430 -2.219 7.913 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -5.534 -1.199 9.064 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -4.650 -2.213 7.899 1.00 0.00 H new ATOM 607 N ARG T 40 -4.378 -5.171 8.580 1.00 0.00 N ATOM 608 CA ARG T 40 -4.237 -6.453 7.918 1.00 0.00 C ATOM 609 C ARG T 40 -4.726 -7.562 8.832 1.00 0.00 C ATOM 610 O ARG T 40 -5.255 -8.577 8.378 1.00 0.00 O ATOM 611 CB ARG T 40 -2.772 -6.684 7.564 1.00 0.00 C ATOM 612 CG ARG T 40 -2.460 -8.114 7.151 1.00 0.00 C ATOM 613 CD ARG T 40 -1.625 -8.832 8.198 1.00 0.00 C ATOM 614 NE ARG T 40 -0.343 -8.172 8.427 1.00 0.00 N ATOM 615 CZ ARG T 40 0.554 -8.594 9.312 1.00 0.00 C ATOM 616 NH1 ARG T 40 0.309 -9.671 10.046 1.00 0.00 N ATOM 617 NH2 ARG T 40 1.698 -7.940 9.463 1.00 0.00 N ATOM 0 H ARG T 40 -3.493 -4.736 8.841 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.834 -6.455 7.006 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.493 -6.012 6.752 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -2.154 -6.420 8.422 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -3.391 -8.658 6.992 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -1.927 -8.110 6.200 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -2.181 -8.878 9.135 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -1.451 -9.860 7.880 1.00 0.00 H new ATOM 0 HE ARG T 40 -0.124 -7.341 7.877 1.00 0.00 H new ATOM 0 HH11 ARG T 40 -0.569 -10.177 9.932 1.00 0.00 H new ATOM 0 HH12 ARG T 40 0.999 -9.993 10.725 1.00 0.00 H new ATOM 0 HH21 ARG T 40 1.890 -7.112 8.899 1.00 0.00 H new ATOM 0 HH22 ARG T 40 2.385 -8.265 10.143 1.00 0.00 H new ATOM 631 N LYS T 41 -4.535 -7.357 10.129 1.00 0.00 N ATOM 632 CA LYS T 41 -4.945 -8.335 11.123 1.00 0.00 C ATOM 633 C LYS T 41 -6.465 -8.434 11.209 1.00 0.00 C ATOM 634 O LYS T 41 -7.001 -9.387 11.776 1.00 0.00 O ATOM 635 CB LYS T 41 -4.367 -7.975 12.493 1.00 0.00 C ATOM 636 CG LYS T 41 -2.924 -7.501 12.440 1.00 0.00 C ATOM 637 CD LYS T 41 -2.263 -7.570 13.807 1.00 0.00 C ATOM 638 CE LYS T 41 -0.957 -8.348 13.756 1.00 0.00 C ATOM 639 NZ LYS T 41 -1.012 -9.581 14.588 1.00 0.00 N ATOM 0 H LYS T 41 -4.098 -6.520 10.516 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.558 -9.306 10.814 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -4.981 -7.195 12.943 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.431 -8.846 13.145 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.365 -8.114 11.733 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -2.890 -6.476 12.070 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -2.072 -6.561 14.172 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -2.942 -8.042 14.517 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -0.735 -8.617 12.723 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -0.142 -7.712 14.103 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 -0.103 -10.082 14.526 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 -1.199 -9.324 15.578 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -1.773 -10.200 14.242 1.00 0.00 H new ATOM 653 N ILE T 42 -7.157 -7.450 10.644 1.00 0.00 N ATOM 654 CA ILE T 42 -8.613 -7.437 10.662 1.00 0.00 C ATOM 655 C ILE T 42 -9.175 -8.077 9.399 1.00 0.00 C ATOM 656 O ILE T 42 -10.348 -8.449 9.345 1.00 0.00 O ATOM 657 CB ILE T 42 -9.150 -6.002 10.780 1.00 0.00 C ATOM 658 CG1 ILE T 42 -9.046 -5.293 9.431 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.382 -5.237 11.848 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.293 -4.526 9.048 1.00 0.00 C ATOM 0 H ILE T 42 -6.733 -6.653 10.169 1.00 0.00 H new ATOM 0 HA ILE T 42 -8.933 -8.011 11.532 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.199 -6.040 11.074 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.201 -4.605 9.456 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.833 -6.031 8.658 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -8.773 -4.222 11.921 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.496 -5.740 12.808 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.326 -5.201 11.581 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.144 -4.050 8.079 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -11.138 -5.212 8.989 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.496 -3.763 9.800 1.00 0.00 H new ATOM 672 N GLY T 43 -8.328 -8.198 8.381 1.00 0.00 N ATOM 673 CA GLY T 43 -8.753 -8.789 7.127 1.00 0.00 C ATOM 674 C GLY T 43 -8.262 -7.994 5.933 1.00 0.00 C ATOM 675 O GLY T 43 -8.707 -8.215 4.807 1.00 0.00 O ATOM 0 H GLY T 43 -7.354 -7.896 8.403 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -8.379 -9.811 7.062 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.841 -8.846 7.103 1.00 0.00 H new ATOM 679 N PHE T 44 -7.342 -7.066 6.179 1.00 0.00 N ATOM 680 CA PHE T 44 -6.789 -6.236 5.118 1.00 0.00 C ATOM 681 C PHE T 44 -5.722 -7.000 4.339 1.00 0.00 C ATOM 682 O PHE T 44 -4.584 -7.127 4.789 1.00 0.00 O ATOM 683 CB PHE T 44 -6.195 -4.964 5.718 1.00 0.00 C ATOM 684 CG PHE T 44 -6.222 -3.780 4.796 1.00 0.00 C ATOM 685 CD1 PHE T 44 -5.852 -3.903 3.467 1.00 0.00 C ATOM 686 CD2 PHE T 44 -6.620 -2.538 5.263 1.00 0.00 C ATOM 687 CE1 PHE T 44 -5.880 -2.811 2.621 1.00 0.00 C ATOM 688 CE2 PHE T 44 -6.649 -1.443 4.423 1.00 0.00 C ATOM 689 CZ PHE T 44 -6.279 -1.579 3.100 1.00 0.00 C ATOM 0 H PHE T 44 -6.964 -6.871 7.106 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.589 -5.968 4.428 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -6.741 -4.715 6.628 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -5.163 -5.160 6.010 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -5.538 -4.864 3.087 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -6.911 -2.425 6.297 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -5.590 -2.921 1.586 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -6.961 -0.480 4.801 1.00 0.00 H new ATOM 0 HZ PHE T 44 -6.302 -0.724 2.441 1.00 0.00 H new ATOM 699 N HIS T 45 -6.099 -7.513 3.171 1.00 0.00 N ATOM 700 CA HIS T 45 -5.175 -8.271 2.334 1.00 0.00 C ATOM 701 C HIS T 45 -5.181 -7.754 0.899 1.00 0.00 C ATOM 702 O HIS T 45 -6.240 -7.577 0.296 1.00 0.00 O ATOM 703 CB HIS T 45 -5.548 -9.756 2.354 1.00 0.00 C ATOM 704 CG HIS T 45 -4.568 -10.644 1.651 1.00 0.00 C ATOM 705 ND1 HIS T 45 -4.211 -11.890 2.122 1.00 0.00 N ATOM 706 CD2 HIS T 45 -3.873 -10.465 0.502 1.00 0.00 C ATOM 707 CE1 HIS T 45 -3.338 -12.438 1.295 1.00 0.00 C ATOM 708 NE2 HIS T 45 -3.118 -11.594 0.304 1.00 0.00 N ATOM 0 H HIS T 45 -7.038 -7.417 2.783 1.00 0.00 H new ATOM 0 HA HIS T 45 -4.171 -8.144 2.738 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.639 -10.082 3.390 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.528 -9.879 1.894 1.00 0.00 H new ATOM 0 HD1 HIS T 45 -4.566 -12.321 2.976 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -3.907 -9.596 -0.139 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -2.882 -13.410 1.410 1.00 0.00 H new ATOM 717 N VAL T 46 -3.989 -7.522 0.354 1.00 0.00 N ATOM 718 CA VAL T 46 -3.855 -7.035 -1.014 1.00 0.00 C ATOM 719 C VAL T 46 -2.535 -7.486 -1.632 1.00 0.00 C ATOM 720 O VAL T 46 -1.493 -6.872 -1.407 1.00 0.00 O ATOM 721 CB VAL T 46 -3.937 -5.496 -1.088 1.00 0.00 C ATOM 722 CG1 VAL T 46 -4.902 -5.068 -2.180 1.00 0.00 C ATOM 723 CG2 VAL T 46 -4.352 -4.901 0.249 1.00 0.00 C ATOM 0 H VAL T 46 -3.103 -7.664 0.840 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.687 -7.460 -1.575 1.00 0.00 H new ATOM 0 HB VAL T 46 -2.943 -5.119 -1.330 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -4.948 -3.980 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -4.558 -5.451 -3.141 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -5.894 -5.466 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -4.401 -3.815 0.165 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -5.331 -5.287 0.531 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -3.622 -5.173 1.011 1.00 0.00 H new ATOM 733 N CYS T 47 -2.588 -8.562 -2.414 1.00 0.00 N ATOM 734 CA CYS T 47 -1.394 -9.093 -3.065 1.00 0.00 C ATOM 735 C CYS T 47 -0.836 -8.097 -4.076 1.00 0.00 C ATOM 736 O CYS T 47 -1.085 -8.210 -5.277 1.00 0.00 O ATOM 737 CB CYS T 47 -1.708 -10.418 -3.760 1.00 0.00 C ATOM 738 SG CYS T 47 -0.394 -11.670 -3.598 1.00 0.00 S ATOM 0 H CYS T 47 -3.443 -9.082 -2.612 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.641 -9.265 -2.296 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -2.633 -10.822 -3.349 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -1.886 -10.228 -4.818 1.00 0.00 H new ATOM 743 N ALA T 48 -0.082 -7.121 -3.579 1.00 0.00 N ATOM 744 CA ALA T 48 0.515 -6.100 -4.430 1.00 0.00 C ATOM 745 C ALA T 48 1.210 -5.035 -3.591 1.00 0.00 C ATOM 746 O ALA T 48 0.686 -4.602 -2.564 1.00 0.00 O ATOM 747 CB ALA T 48 -0.546 -5.464 -5.316 1.00 0.00 C ATOM 0 H ALA T 48 0.130 -7.017 -2.587 1.00 0.00 H new ATOM 0 HA ALA T 48 1.262 -6.578 -5.064 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.085 -4.703 -5.946 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -1.001 -6.229 -5.945 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.312 -5.003 -4.693 1.00 0.00 H new ATOM 753 N ALA T 49 2.390 -4.616 -4.032 1.00 0.00 N ATOM 754 CA ALA T 49 3.152 -3.599 -3.317 1.00 0.00 C ATOM 755 C ALA T 49 2.313 -2.345 -3.104 1.00 0.00 C ATOM 756 O ALA T 49 2.084 -1.575 -4.034 1.00 0.00 O ATOM 757 CB ALA T 49 4.426 -3.263 -4.077 1.00 0.00 C ATOM 0 H ALA T 49 2.839 -4.964 -4.879 1.00 0.00 H new ATOM 0 HA ALA T 49 3.423 -3.997 -2.339 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.985 -2.502 -3.532 1.00 0.00 H new ATOM 0 HB2 ALA T 49 5.037 -4.160 -4.178 1.00 0.00 H new ATOM 0 HB3 ALA T 49 4.170 -2.885 -5.067 1.00 0.00 H new ATOM 763 N GLY T 50 1.855 -2.146 -1.873 1.00 0.00 N ATOM 764 CA GLY T 50 1.045 -0.981 -1.567 1.00 0.00 C ATOM 765 C GLY T 50 1.823 0.096 -0.840 1.00 0.00 C ATOM 766 O GLY T 50 2.299 -0.116 0.274 1.00 0.00 O ATOM 0 H GLY T 50 2.029 -2.768 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.642 -0.570 -2.493 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.195 -1.285 -0.956 1.00 0.00 H new ATOM 770 N TRP T 51 1.956 1.255 -1.477 1.00 0.00 N ATOM 771 CA TRP T 51 2.686 2.371 -0.889 1.00 0.00 C ATOM 772 C TRP T 51 2.251 2.622 0.550 1.00 0.00 C ATOM 773 O TRP T 51 1.139 2.277 0.946 1.00 0.00 O ATOM 774 CB TRP T 51 2.483 3.634 -1.723 1.00 0.00 C ATOM 775 CG TRP T 51 3.350 3.675 -2.940 1.00 0.00 C ATOM 776 CD1 TRP T 51 2.965 3.446 -4.229 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.752 3.952 -2.978 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.048 3.562 -5.069 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.157 3.874 -4.324 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.707 4.259 -2.004 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.474 4.093 -4.718 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.013 4.477 -2.395 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.387 4.393 -3.743 1.00 0.00 C ATOM 0 H TRP T 51 1.567 1.445 -2.401 1.00 0.00 H new ATOM 0 HA TRP T 51 3.744 2.111 -0.883 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.438 3.699 -2.026 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.691 4.508 -1.106 1.00 0.00 H new ATOM 0 HD1 TRP T 51 1.959 3.209 -4.543 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.030 3.436 -6.081 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.428 4.325 -0.963 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.765 4.029 -5.756 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.758 4.716 -1.650 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.416 4.569 -4.018 1.00 0.00 H new ATOM 794 N MET T 52 3.144 3.229 1.326 1.00 0.00 N ATOM 795 CA MET T 52 2.868 3.536 2.723 1.00 0.00 C ATOM 796 C MET T 52 3.975 4.405 3.310 1.00 0.00 C ATOM 797 O MET T 52 4.934 4.753 2.621 1.00 0.00 O ATOM 798 CB MET T 52 2.729 2.248 3.541 1.00 0.00 C ATOM 799 CG MET T 52 3.395 1.039 2.903 1.00 0.00 C ATOM 800 SD MET T 52 3.502 -0.369 4.024 1.00 0.00 S ATOM 801 CE MET T 52 2.069 -1.316 3.516 1.00 0.00 C ATOM 0 H MET T 52 4.069 3.519 1.008 1.00 0.00 H new ATOM 0 HA MET T 52 1.928 4.085 2.769 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.160 2.409 4.529 1.00 0.00 H new ATOM 0 HB3 MET T 52 1.670 2.033 3.686 1.00 0.00 H new ATOM 0 HG2 MET T 52 2.836 0.748 2.014 1.00 0.00 H new ATOM 0 HG3 MET T 52 4.397 1.313 2.574 1.00 0.00 H new ATOM 0 HE1 MET T 52 1.556 -1.701 4.397 1.00 0.00 H new ATOM 0 HE2 MET T 52 1.391 -0.675 2.953 1.00 0.00 H new ATOM 0 HE3 MET T 52 2.387 -2.148 2.888 1.00 0.00 H new ATOM 811 N ALA T 53 3.839 4.746 4.587 1.00 0.00 N ATOM 812 CA ALA T 53 4.831 5.568 5.267 1.00 0.00 C ATOM 813 C ALA T 53 5.165 6.820 4.463 1.00 0.00 C ATOM 814 O ALA T 53 4.449 7.188 3.533 1.00 0.00 O ATOM 815 CB ALA T 53 6.087 4.755 5.530 1.00 0.00 C ATOM 0 H ALA T 53 3.051 4.465 5.171 1.00 0.00 H new ATOM 0 HA ALA T 53 4.408 5.891 6.218 1.00 0.00 H new ATOM 0 HB1 ALA T 53 6.823 5.377 6.039 1.00 0.00 H new ATOM 0 HB2 ALA T 53 5.841 3.898 6.157 1.00 0.00 H new ATOM 0 HB3 ALA T 53 6.499 4.406 4.583 1.00 0.00 H new ATOM 821 N LYS T 54 6.257 7.473 4.840 1.00 0.00 N ATOM 822 CA LYS T 54 6.699 8.691 4.169 1.00 0.00 C ATOM 823 C LYS T 54 7.184 8.403 2.751 1.00 0.00 C ATOM 824 O LYS T 54 7.605 9.312 2.035 1.00 0.00 O ATOM 825 CB LYS T 54 7.819 9.356 4.970 1.00 0.00 C ATOM 826 CG LYS T 54 7.491 10.765 5.435 1.00 0.00 C ATOM 827 CD LYS T 54 8.739 11.621 5.567 1.00 0.00 C ATOM 828 CE LYS T 54 8.716 12.790 4.595 1.00 0.00 C ATOM 829 NZ LYS T 54 9.845 12.733 3.627 1.00 0.00 N ATOM 0 H LYS T 54 6.856 7.178 5.611 1.00 0.00 H new ATOM 0 HA LYS T 54 5.844 9.364 4.107 1.00 0.00 H new ATOM 0 HB2 LYS T 54 8.045 8.740 5.840 1.00 0.00 H new ATOM 0 HB3 LYS T 54 8.721 9.386 4.359 1.00 0.00 H new ATOM 0 HG2 LYS T 54 6.804 11.230 4.728 1.00 0.00 H new ATOM 0 HG3 LYS T 54 6.978 10.720 6.396 1.00 0.00 H new ATOM 0 HD2 LYS T 54 8.818 11.996 6.587 1.00 0.00 H new ATOM 0 HD3 LYS T 54 9.622 11.010 5.382 1.00 0.00 H new ATOM 0 HE2 LYS T 54 7.772 12.790 4.051 1.00 0.00 H new ATOM 0 HE3 LYS T 54 8.763 13.726 5.152 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 9.792 13.548 2.983 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 10.747 12.759 4.144 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 9.786 11.852 3.077 1.00 0.00 H new ATOM 843 N GLY T 55 7.127 7.137 2.351 1.00 0.00 N ATOM 844 CA GLY T 55 7.567 6.762 1.021 1.00 0.00 C ATOM 845 C GLY T 55 7.983 5.307 0.959 1.00 0.00 C ATOM 846 O GLY T 55 8.632 4.880 0.003 1.00 0.00 O ATOM 0 H GLY T 55 6.784 6.365 2.923 1.00 0.00 H new ATOM 0 HA2 GLY T 55 6.763 6.941 0.307 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.404 7.393 0.723 1.00 0.00 H new ATOM 850 N ARG T 56 7.613 4.545 1.981 1.00 0.00 N ATOM 851 CA ARG T 56 7.954 3.130 2.041 1.00 0.00 C ATOM 852 C ARG T 56 6.834 2.273 1.461 1.00 0.00 C ATOM 853 O ARG T 56 5.658 2.496 1.743 1.00 0.00 O ATOM 854 CB ARG T 56 8.236 2.713 3.483 1.00 0.00 C ATOM 855 CG ARG T 56 9.709 2.765 3.849 1.00 0.00 C ATOM 856 CD ARG T 56 9.957 3.701 5.022 1.00 0.00 C ATOM 857 NE ARG T 56 9.992 2.988 6.295 1.00 0.00 N ATOM 858 CZ ARG T 56 11.023 3.031 7.134 1.00 0.00 C ATOM 859 NH1 ARG T 56 12.096 3.749 6.833 1.00 0.00 N ATOM 860 NH2 ARG T 56 10.980 2.356 8.274 1.00 0.00 N ATOM 0 H ARG T 56 7.077 4.884 2.780 1.00 0.00 H new ATOM 0 HA ARG T 56 8.852 2.974 1.443 1.00 0.00 H new ATOM 0 HB2 ARG T 56 7.679 3.363 4.157 1.00 0.00 H new ATOM 0 HB3 ARG T 56 7.866 1.700 3.639 1.00 0.00 H new ATOM 0 HG2 ARG T 56 10.058 1.764 4.100 1.00 0.00 H new ATOM 0 HG3 ARG T 56 10.288 3.098 2.987 1.00 0.00 H new ATOM 0 HD2 ARG T 56 10.901 4.225 4.874 1.00 0.00 H new ATOM 0 HD3 ARG T 56 9.174 4.459 5.053 1.00 0.00 H new ATOM 0 HE ARG T 56 9.182 2.426 6.555 1.00 0.00 H new ATOM 0 HH11 ARG T 56 12.132 4.270 5.957 1.00 0.00 H new ATOM 0 HH12 ARG T 56 12.886 3.781 7.478 1.00 0.00 H new ATOM 0 HH21 ARG T 56 10.156 1.803 8.508 1.00 0.00 H new ATOM 0 HH22 ARG T 56 11.771 2.390 8.917 1.00 0.00 H new ATOM 874 N VAL T 57 7.211 1.290 0.652 1.00 0.00 N ATOM 875 CA VAL T 57 6.243 0.393 0.033 1.00 0.00 C ATOM 876 C VAL T 57 6.567 -1.061 0.360 1.00 0.00 C ATOM 877 O VAL T 57 7.719 -1.484 0.272 1.00 0.00 O ATOM 878 CB VAL T 57 6.205 0.578 -1.498 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.517 1.165 -1.996 1.00 0.00 C ATOM 880 CG2 VAL T 57 5.901 -0.740 -2.196 1.00 0.00 C ATOM 0 H VAL T 57 8.182 1.094 0.409 1.00 0.00 H new ATOM 0 HA VAL T 57 5.263 0.644 0.439 1.00 0.00 H new ATOM 0 HB VAL T 57 5.404 1.277 -1.739 1.00 0.00 H new ATOM 0 HG11 VAL T 57 7.473 1.289 -3.078 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.683 2.134 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL T 57 8.336 0.493 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL T 57 5.879 -0.584 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL T 57 6.674 -1.469 -1.950 1.00 0.00 H new ATOM 0 HG23 VAL T 57 4.932 -1.113 -1.864 1.00 0.00 H new ATOM 890 N GLY T 58 5.545 -1.822 0.739 1.00 0.00 N ATOM 891 CA GLY T 58 5.748 -3.218 1.075 1.00 0.00 C ATOM 892 C GLY T 58 4.575 -4.088 0.669 1.00 0.00 C ATOM 893 O GLY T 58 3.635 -3.616 0.031 1.00 0.00 O ATOM 0 H GLY T 58 4.582 -1.497 0.819 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.652 -3.579 0.584 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.910 -3.310 2.149 1.00 0.00 H new ATOM 897 N TYR T 59 4.633 -5.363 1.041 1.00 0.00 N ATOM 898 CA TYR T 59 3.568 -6.304 0.710 1.00 0.00 C ATOM 899 C TYR T 59 3.137 -7.094 1.943 1.00 0.00 C ATOM 900 O TYR T 59 3.816 -8.031 2.361 1.00 0.00 O ATOM 901 CB TYR T 59 4.027 -7.265 -0.390 1.00 0.00 C ATOM 902 CG TYR T 59 5.349 -6.877 -1.016 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.460 -5.739 -1.807 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.486 -7.650 -0.820 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.666 -5.383 -2.383 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.695 -7.302 -1.392 1.00 0.00 C ATOM 907 CZ TYR T 59 7.779 -6.167 -2.172 1.00 0.00 C ATOM 908 OH TYR T 59 8.982 -5.818 -2.743 1.00 0.00 O ATOM 0 H TYR T 59 5.405 -5.768 1.571 1.00 0.00 H new ATOM 0 HA TYR T 59 2.714 -5.732 0.349 1.00 0.00 H new ATOM 0 HB2 TYR T 59 4.112 -8.268 0.027 1.00 0.00 H new ATOM 0 HB3 TYR T 59 3.264 -7.306 -1.167 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.589 -5.122 -1.975 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.424 -8.539 -0.210 1.00 0.00 H new ATOM 0 HE1 TYR T 59 6.735 -4.496 -2.995 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.569 -7.915 -1.229 1.00 0.00 H new ATOM 0 HH TYR T 59 9.710 -6.009 -2.115 1.00 0.00 H new ATOM 918 N PRO T 60 1.994 -6.721 2.541 1.00 0.00 N ATOM 919 CA PRO T 60 1.466 -7.396 3.734 1.00 0.00 C ATOM 920 C PRO T 60 1.143 -8.864 3.473 1.00 0.00 C ATOM 921 O PRO T 60 1.995 -9.736 3.648 1.00 0.00 O ATOM 922 CB PRO T 60 0.186 -6.616 4.060 1.00 0.00 C ATOM 923 CG PRO T 60 -0.166 -5.887 2.809 1.00 0.00 C ATOM 924 CD PRO T 60 1.127 -5.615 2.100 1.00 0.00 C ATOM 0 HA PRO T 60 2.191 -7.402 4.548 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.617 -7.288 4.361 1.00 0.00 H new ATOM 0 HB3 PRO T 60 0.348 -5.923 4.886 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -0.832 -6.484 2.186 1.00 0.00 H new ATOM 0 HG3 PRO T 60 -0.688 -4.957 3.035 1.00 0.00 H new ATOM 0 HD2 PRO T 60 0.999 -5.611 1.018 1.00 0.00 H new ATOM 0 HD3 PRO T 60 1.541 -4.645 2.376 1.00 0.00 H new ATOM 932 N ILE T 61 -0.092 -9.130 3.055 1.00 0.00 N ATOM 933 CA ILE T 61 -0.530 -10.491 2.769 1.00 0.00 C ATOM 934 C ILE T 61 -0.749 -11.276 4.057 1.00 0.00 C ATOM 935 O ILE T 61 0.206 -11.681 4.719 1.00 0.00 O ATOM 936 CB ILE T 61 0.488 -11.243 1.889 1.00 0.00 C ATOM 937 CG1 ILE T 61 0.904 -10.375 0.700 1.00 0.00 C ATOM 938 CG2 ILE T 61 -0.098 -12.561 1.407 1.00 0.00 C ATOM 939 CD1 ILE T 61 -0.259 -9.925 -0.157 1.00 0.00 C ATOM 0 H ILE T 61 -0.808 -8.418 2.907 1.00 0.00 H new ATOM 0 HA ILE T 61 -1.472 -10.411 2.227 1.00 0.00 H new ATOM 0 HB ILE T 61 1.373 -11.459 2.488 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.434 -9.497 1.069 1.00 0.00 H new ATOM 0 HG13 ILE T 61 1.606 -10.934 0.081 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.633 -13.079 0.787 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.351 -13.182 2.266 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -0.997 -12.367 0.822 1.00 0.00 H new ATOM 0 HD11 ILE T 61 0.111 -9.314 -0.980 1.00 0.00 H new ATOM 0 HD12 ILE T 61 -0.776 -10.798 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -0.951 -9.339 0.448 1.00 0.00 H new ATOM 951 N VAL T 62 -2.014 -11.486 4.407 1.00 0.00 N ATOM 952 CA VAL T 62 -2.356 -12.219 5.618 1.00 0.00 C ATOM 953 C VAL T 62 -2.286 -13.725 5.384 1.00 0.00 C ATOM 954 O VAL T 62 -1.998 -14.493 6.303 1.00 0.00 O ATOM 955 CB VAL T 62 -3.766 -11.855 6.123 1.00 0.00 C ATOM 956 CG1 VAL T 62 -3.775 -11.735 7.639 1.00 0.00 C ATOM 957 CG2 VAL T 62 -4.255 -10.569 5.475 1.00 0.00 C ATOM 0 H VAL T 62 -2.817 -11.159 3.870 1.00 0.00 H new ATOM 0 HA VAL T 62 -1.626 -11.934 6.375 1.00 0.00 H new ATOM 0 HB VAL T 62 -4.449 -12.656 5.840 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -4.779 -11.478 7.978 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -3.476 -12.685 8.081 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -3.077 -10.956 7.946 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -5.252 -10.331 5.846 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -3.573 -9.755 5.721 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -4.291 -10.698 4.393 1.00 0.00 H new ATOM 967 N LYS T 63 -2.550 -14.140 4.149 1.00 0.00 N ATOM 968 CA LYS T 63 -2.516 -15.554 3.792 1.00 0.00 C ATOM 969 C LYS T 63 -1.434 -15.828 2.753 1.00 0.00 C ATOM 970 O LYS T 63 -1.704 -15.849 1.552 1.00 0.00 O ATOM 971 CB LYS T 63 -3.877 -15.999 3.255 1.00 0.00 C ATOM 972 CG LYS T 63 -4.753 -16.681 4.293 1.00 0.00 C ATOM 973 CD LYS T 63 -5.515 -17.851 3.692 1.00 0.00 C ATOM 974 CE LYS T 63 -5.790 -18.936 4.721 1.00 0.00 C ATOM 975 NZ LYS T 63 -6.953 -18.606 5.590 1.00 0.00 N ATOM 0 H LYS T 63 -2.790 -13.517 3.378 1.00 0.00 H new ATOM 0 HA LYS T 63 -2.283 -16.124 4.692 1.00 0.00 H new ATOM 0 HB2 LYS T 63 -4.404 -15.129 2.863 1.00 0.00 H new ATOM 0 HB3 LYS T 63 -3.722 -16.681 2.419 1.00 0.00 H new ATOM 0 HG2 LYS T 63 -4.135 -17.033 5.119 1.00 0.00 H new ATOM 0 HG3 LYS T 63 -5.458 -15.960 4.707 1.00 0.00 H new ATOM 0 HD2 LYS T 63 -6.459 -17.496 3.278 1.00 0.00 H new ATOM 0 HD3 LYS T 63 -4.942 -18.271 2.865 1.00 0.00 H new ATOM 0 HE2 LYS T 63 -5.977 -19.880 4.210 1.00 0.00 H new ATOM 0 HE3 LYS T 63 -4.905 -19.079 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS T 63 -7.103 -19.374 6.276 1.00 0.00 H new ATOM 0 HZ2 LYS T 63 -6.765 -17.719 6.099 1.00 0.00 H new ATOM 0 HZ3 LYS T 63 -7.804 -18.495 5.003 1.00 0.00 H new ATOM 989 N PRO T 64 -0.190 -16.042 3.205 1.00 0.00 N ATOM 990 CA PRO T 64 0.941 -16.317 2.311 1.00 0.00 C ATOM 991 C PRO T 64 0.695 -17.534 1.425 1.00 0.00 C ATOM 992 O PRO T 64 -0.081 -18.422 1.776 1.00 0.00 O ATOM 993 CB PRO T 64 2.105 -16.583 3.270 1.00 0.00 C ATOM 994 CG PRO T 64 1.708 -15.952 4.558 1.00 0.00 C ATOM 995 CD PRO T 64 0.210 -16.033 4.624 1.00 0.00 C ATOM 0 HA PRO T 64 1.122 -15.492 1.622 1.00 0.00 H new ATOM 0 HB2 PRO T 64 2.276 -17.652 3.393 1.00 0.00 H new ATOM 0 HB3 PRO T 64 3.032 -16.153 2.891 1.00 0.00 H new ATOM 0 HG2 PRO T 64 2.163 -16.471 5.402 1.00 0.00 H new ATOM 0 HG3 PRO T 64 2.044 -14.916 4.603 1.00 0.00 H new ATOM 0 HD2 PRO T 64 -0.122 -16.933 5.142 1.00 0.00 H new ATOM 0 HD3 PRO T 64 -0.216 -15.183 5.157 1.00 0.00 H new ATOM 1003 N GLY T 65 1.361 -17.566 0.275 1.00 0.00 N ATOM 1004 CA GLY T 65 1.201 -18.677 -0.644 1.00 0.00 C ATOM 1005 C GLY T 65 2.449 -18.930 -1.468 1.00 0.00 C ATOM 1006 O GLY T 65 3.563 -18.849 -0.953 1.00 0.00 O ATOM 0 H GLY T 65 2.009 -16.842 -0.036 1.00 0.00 H new ATOM 0 HA2 GLY T 65 0.951 -19.577 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY T 65 0.363 -18.475 -1.311 1.00 0.00 H new ATOM 1010 N PRO T 66 2.290 -19.240 -2.765 1.00 0.00 N ATOM 1011 CA PRO T 66 3.416 -19.503 -3.656 1.00 0.00 C ATOM 1012 C PRO T 66 4.077 -18.221 -4.152 1.00 0.00 C ATOM 1013 O PRO T 66 5.169 -17.864 -3.709 1.00 0.00 O ATOM 1014 CB PRO T 66 2.769 -20.259 -4.812 1.00 0.00 C ATOM 1015 CG PRO T 66 1.357 -19.772 -4.855 1.00 0.00 C ATOM 1016 CD PRO T 66 0.993 -19.357 -3.457 1.00 0.00 C ATOM 0 HA PRO T 66 4.215 -20.054 -3.160 1.00 0.00 H new ATOM 0 HB2 PRO T 66 3.284 -20.058 -5.751 1.00 0.00 H new ATOM 0 HB3 PRO T 66 2.810 -21.336 -4.650 1.00 0.00 H new ATOM 0 HG2 PRO T 66 1.259 -18.933 -5.544 1.00 0.00 H new ATOM 0 HG3 PRO T 66 0.689 -20.556 -5.211 1.00 0.00 H new ATOM 0 HD2 PRO T 66 0.451 -18.411 -3.451 1.00 0.00 H new ATOM 0 HD3 PRO T 66 0.351 -20.095 -2.977 1.00 0.00 H new ATOM 1024 N ASN T 67 3.411 -17.532 -5.073 1.00 0.00 N ATOM 1025 CA ASN T 67 3.937 -16.290 -5.627 1.00 0.00 C ATOM 1026 C ASN T 67 3.220 -15.082 -5.032 1.00 0.00 C ATOM 1027 O ASN T 67 3.655 -13.944 -5.202 1.00 0.00 O ATOM 1028 CB ASN T 67 3.795 -16.284 -7.150 1.00 0.00 C ATOM 1029 CG ASN T 67 2.650 -17.155 -7.630 1.00 0.00 C ATOM 1030 OD1 ASN T 67 2.880 -18.462 -7.675 1.00 0.00 O flip ATOM 1031 ND2 ASN T 67 1.572 -16.659 -7.955 1.00 0.00 N flip ATOM 0 H ASN T 67 2.506 -17.813 -5.451 1.00 0.00 H new ATOM 0 HA ASN T 67 4.994 -16.226 -5.369 1.00 0.00 H new ATOM 0 HB2 ASN T 67 3.638 -15.261 -7.493 1.00 0.00 H new ATOM 0 HB3 ASN T 67 4.725 -16.632 -7.600 1.00 0.00 H new ATOM 0 HD21 ASN T 67 1.439 -15.649 -7.905 1.00 0.00 H new ATOM 0 HD22 ASN T 67 0.811 -17.258 -8.275 1.00 0.00 H new ATOM 1038 N CYS T 68 2.119 -15.339 -4.333 1.00 0.00 N ATOM 1039 CA CYS T 68 1.341 -14.273 -3.711 1.00 0.00 C ATOM 1040 C CYS T 68 1.908 -13.916 -2.341 1.00 0.00 C ATOM 1041 O CYS T 68 1.163 -13.720 -1.381 1.00 0.00 O ATOM 1042 CB CYS T 68 -0.124 -14.692 -3.578 1.00 0.00 C ATOM 1043 SG CYS T 68 -1.314 -13.411 -4.091 1.00 0.00 S ATOM 0 H CYS T 68 1.745 -16.276 -4.183 1.00 0.00 H new ATOM 0 HA CYS T 68 1.401 -13.392 -4.350 1.00 0.00 H new ATOM 0 HB2 CYS T 68 -0.290 -15.588 -4.177 1.00 0.00 H new ATOM 0 HB3 CYS T 68 -0.321 -14.961 -2.540 1.00 0.00 H new ATOM 1048 N GLY T 69 3.232 -13.833 -2.258 1.00 0.00 N ATOM 1049 CA GLY T 69 3.878 -13.500 -1.001 1.00 0.00 C ATOM 1050 C GLY T 69 5.192 -14.235 -0.828 1.00 0.00 C ATOM 1051 O GLY T 69 5.961 -13.939 0.087 1.00 0.00 O ATOM 0 H GLY T 69 3.869 -13.990 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY T 69 4.055 -12.425 -0.957 1.00 0.00 H new ATOM 0 HA3 GLY T 69 3.212 -13.747 -0.174 1.00 0.00 H new ATOM 1055 N PHE T 70 5.451 -15.195 -1.710 1.00 0.00 N ATOM 1056 CA PHE T 70 6.680 -15.978 -1.655 1.00 0.00 C ATOM 1057 C PHE T 70 6.786 -16.738 -0.335 1.00 0.00 C ATOM 1058 O PHE T 70 7.884 -17.015 0.147 1.00 0.00 O ATOM 1059 CB PHE T 70 7.899 -15.070 -1.834 1.00 0.00 C ATOM 1060 CG PHE T 70 9.040 -15.721 -2.563 1.00 0.00 C ATOM 1061 CD1 PHE T 70 8.906 -16.099 -3.890 1.00 0.00 C ATOM 1062 CD2 PHE T 70 10.244 -15.956 -1.920 1.00 0.00 C ATOM 1063 CE1 PHE T 70 9.954 -16.698 -4.562 1.00 0.00 C ATOM 1064 CE2 PHE T 70 11.296 -16.556 -2.588 1.00 0.00 C ATOM 1065 CZ PHE T 70 11.151 -16.927 -3.911 1.00 0.00 C ATOM 0 H PHE T 70 4.824 -15.450 -2.473 1.00 0.00 H new ATOM 0 HA PHE T 70 6.654 -16.703 -2.469 1.00 0.00 H new ATOM 0 HB2 PHE T 70 7.597 -14.175 -2.378 1.00 0.00 H new ATOM 0 HB3 PHE T 70 8.245 -14.745 -0.853 1.00 0.00 H new ATOM 0 HD1 PHE T 70 7.972 -15.923 -4.404 1.00 0.00 H new ATOM 0 HD2 PHE T 70 10.363 -15.668 -0.886 1.00 0.00 H new ATOM 0 HE1 PHE T 70 9.838 -16.987 -5.596 1.00 0.00 H new ATOM 0 HE2 PHE T 70 12.230 -16.734 -2.076 1.00 0.00 H new ATOM 0 HZ PHE T 70 11.971 -17.395 -4.435 1.00 0.00 H new ATOM 1075 N GLY T 71 5.637 -17.073 0.242 1.00 0.00 N ATOM 1076 CA GLY T 71 5.621 -17.799 1.499 1.00 0.00 C ATOM 1077 C GLY T 71 6.114 -16.943 2.650 1.00 0.00 C ATOM 1078 O GLY T 71 6.439 -17.459 3.719 1.00 0.00 O ATOM 0 H GLY T 71 4.716 -16.855 -0.138 1.00 0.00 H new ATOM 0 HA2 GLY T 71 4.607 -18.141 1.708 1.00 0.00 H new ATOM 0 HA3 GLY T 71 6.246 -18.688 1.413 1.00 0.00 H new ATOM 1082 N LYS T 72 6.167 -15.633 2.432 1.00 0.00 N ATOM 1083 CA LYS T 72 6.623 -14.707 3.463 1.00 0.00 C ATOM 1084 C LYS T 72 5.491 -14.367 4.426 1.00 0.00 C ATOM 1085 O LYS T 72 4.316 -14.507 4.091 1.00 0.00 O ATOM 1086 CB LYS T 72 7.170 -13.428 2.826 1.00 0.00 C ATOM 1087 CG LYS T 72 8.618 -13.549 2.378 1.00 0.00 C ATOM 1088 CD LYS T 72 9.062 -12.326 1.593 1.00 0.00 C ATOM 1089 CE LYS T 72 10.531 -12.015 1.827 1.00 0.00 C ATOM 1090 NZ LYS T 72 11.382 -12.480 0.697 1.00 0.00 N ATOM 0 H LYS T 72 5.901 -15.189 1.553 1.00 0.00 H new ATOM 0 HA LYS T 72 7.421 -15.192 4.025 1.00 0.00 H new ATOM 0 HB2 LYS T 72 6.552 -13.166 1.967 1.00 0.00 H new ATOM 0 HB3 LYS T 72 7.086 -12.610 3.541 1.00 0.00 H new ATOM 0 HG2 LYS T 72 9.260 -13.676 3.250 1.00 0.00 H new ATOM 0 HG3 LYS T 72 8.736 -14.441 1.762 1.00 0.00 H new ATOM 0 HD2 LYS T 72 8.890 -12.493 0.530 1.00 0.00 H new ATOM 0 HD3 LYS T 72 8.457 -11.467 1.883 1.00 0.00 H new ATOM 0 HE2 LYS T 72 10.658 -10.941 1.960 1.00 0.00 H new ATOM 0 HE3 LYS T 72 10.861 -12.491 2.750 1.00 0.00 H new ATOM 0 HZ1 LYS T 72 12.377 -12.250 0.894 1.00 0.00 H new ATOM 0 HZ2 LYS T 72 11.280 -13.509 0.586 1.00 0.00 H new ATOM 0 HZ3 LYS T 72 11.084 -12.006 -0.180 1.00 0.00 H new ATOM 1104 N THR T 73 5.855 -13.923 5.626 1.00 0.00 N ATOM 1105 CA THR T 73 4.871 -13.566 6.638 1.00 0.00 C ATOM 1106 C THR T 73 5.031 -12.115 7.077 1.00 0.00 C ATOM 1107 O THR T 73 6.139 -11.662 7.367 1.00 0.00 O ATOM 1108 CB THR T 73 4.983 -14.477 7.872 1.00 0.00 C ATOM 1109 OG1 THR T 73 6.282 -15.079 7.921 1.00 0.00 O ATOM 1110 CG2 THR T 73 3.917 -15.562 7.842 1.00 0.00 C ATOM 0 H THR T 73 6.824 -13.803 5.919 1.00 0.00 H new ATOM 0 HA THR T 73 3.889 -13.697 6.183 1.00 0.00 H new ATOM 0 HB THR T 73 4.832 -13.866 8.762 1.00 0.00 H new ATOM 0 HG1 THR T 73 6.346 -15.656 8.711 1.00 0.00 H new ATOM 0 HG21 THR T 73 4.016 -16.194 8.725 1.00 0.00 H new ATOM 0 HG22 THR T 73 2.929 -15.101 7.834 1.00 0.00 H new ATOM 0 HG23 THR T 73 4.041 -16.169 6.945 1.00 0.00 H new ATOM 1118 N GLY T 74 3.918 -11.390 7.123 1.00 0.00 N ATOM 1119 CA GLY T 74 3.954 -9.998 7.527 1.00 0.00 C ATOM 1120 C GLY T 74 4.208 -9.075 6.353 1.00 0.00 C ATOM 1121 O GLY T 74 4.489 -9.533 5.246 1.00 0.00 O ATOM 0 H GLY T 74 2.991 -11.743 6.887 1.00 0.00 H new ATOM 0 HA2 GLY T 74 3.008 -9.733 7.999 1.00 0.00 H new ATOM 0 HA3 GLY T 74 4.734 -9.857 8.275 1.00 0.00 H new ATOM 1125 N ILE T 75 4.109 -7.771 6.591 1.00 0.00 N ATOM 1126 CA ILE T 75 4.332 -6.788 5.538 1.00 0.00 C ATOM 1127 C ILE T 75 5.789 -6.783 5.095 1.00 0.00 C ATOM 1128 O ILE T 75 6.662 -6.272 5.795 1.00 0.00 O ATOM 1129 CB ILE T 75 3.935 -5.370 5.991 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.492 -5.365 6.503 1.00 0.00 C ATOM 1131 CG2 ILE T 75 4.108 -4.383 4.845 1.00 0.00 C ATOM 1132 CD1 ILE T 75 1.757 -4.068 6.251 1.00 0.00 C ATOM 0 H ILE T 75 3.877 -7.372 7.501 1.00 0.00 H new ATOM 0 HA ILE T 75 3.700 -7.077 4.698 1.00 0.00 H new ATOM 0 HB ILE T 75 4.589 -5.062 6.807 1.00 0.00 H new ATOM 0 HG12 ILE T 75 1.945 -6.179 6.027 1.00 0.00 H new ATOM 0 HG13 ILE T 75 2.496 -5.567 7.574 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.824 -3.385 5.178 1.00 0.00 H new ATOM 0 HG22 ILE T 75 5.150 -4.376 4.525 1.00 0.00 H new ATOM 0 HG23 ILE T 75 3.474 -4.681 4.010 1.00 0.00 H new ATOM 0 HD11 ILE T 75 0.742 -4.143 6.642 1.00 0.00 H new ATOM 0 HD12 ILE T 75 2.279 -3.251 6.750 1.00 0.00 H new ATOM 0 HD13 ILE T 75 1.719 -3.873 5.179 1.00 0.00 H new ATOM 1144 N ILE T 76 6.040 -7.360 3.927 1.00 0.00 N ATOM 1145 CA ILE T 76 7.389 -7.433 3.381 1.00 0.00 C ATOM 1146 C ILE T 76 7.788 -6.117 2.722 1.00 0.00 C ATOM 1147 O ILE T 76 7.645 -5.949 1.511 1.00 0.00 O ATOM 1148 CB ILE T 76 7.517 -8.573 2.352 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.980 -9.883 2.935 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.964 -8.735 1.915 1.00 0.00 C ATOM 1151 CD1 ILE T 76 7.397 -10.126 4.369 1.00 0.00 C ATOM 0 H ILE T 76 5.324 -7.786 3.338 1.00 0.00 H new ATOM 0 HA ILE T 76 8.059 -7.633 4.217 1.00 0.00 H new ATOM 0 HB ILE T 76 6.921 -8.317 1.476 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.891 -9.876 2.878 1.00 0.00 H new ATOM 0 HG13 ILE T 76 7.326 -10.713 2.319 1.00 0.00 H new ATOM 0 HG21 ILE T 76 9.036 -9.544 1.188 1.00 0.00 H new ATOM 0 HG22 ILE T 76 9.313 -7.808 1.461 1.00 0.00 H new ATOM 0 HG23 ILE T 76 9.582 -8.970 2.782 1.00 0.00 H new ATOM 0 HD11 ILE T 76 6.980 -11.072 4.714 1.00 0.00 H new ATOM 0 HD12 ILE T 76 8.485 -10.166 4.430 1.00 0.00 H new ATOM 0 HD13 ILE T 76 7.028 -9.316 4.998 1.00 0.00 H new ATOM 1163 N ASP T 77 8.290 -5.188 3.528 1.00 0.00 N ATOM 1164 CA ASP T 77 8.713 -3.885 3.025 1.00 0.00 C ATOM 1165 C ASP T 77 10.234 -3.778 3.014 1.00 0.00 C ATOM 1166 O ASP T 77 10.897 -4.112 3.996 1.00 0.00 O ATOM 1167 CB ASP T 77 8.114 -2.767 3.880 1.00 0.00 C ATOM 1168 CG ASP T 77 8.926 -1.489 3.820 1.00 0.00 C ATOM 1169 OD1 ASP T 77 8.695 -0.681 2.897 1.00 0.00 O ATOM 1170 OD2 ASP T 77 9.794 -1.296 4.697 1.00 0.00 O ATOM 0 H ASP T 77 8.414 -5.312 4.533 1.00 0.00 H new ATOM 0 HA ASP T 77 8.352 -3.780 2.002 1.00 0.00 H new ATOM 0 HB2 ASP T 77 7.097 -2.563 3.544 1.00 0.00 H new ATOM 0 HB3 ASP T 77 8.047 -3.102 4.915 1.00 0.00 H new ATOM 1175 N TYR T 78 10.782 -3.314 1.895 1.00 0.00 N ATOM 1176 CA TYR T 78 12.226 -3.166 1.755 1.00 0.00 C ATOM 1177 C TYR T 78 12.656 -1.728 2.021 1.00 0.00 C ATOM 1178 O TYR T 78 13.828 -1.382 1.871 1.00 0.00 O ATOM 1179 CB TYR T 78 12.668 -3.593 0.354 1.00 0.00 C ATOM 1180 CG TYR T 78 12.396 -5.049 0.050 1.00 0.00 C ATOM 1181 CD1 TYR T 78 11.102 -5.555 0.075 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.434 -5.919 -0.263 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.850 -6.884 -0.201 1.00 0.00 C ATOM 1184 CE2 TYR T 78 13.189 -7.250 -0.541 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.896 -7.728 -0.509 1.00 0.00 C ATOM 1186 OH TYR T 78 11.649 -9.053 -0.785 1.00 0.00 O ATOM 0 H TYR T 78 10.248 -3.034 1.072 1.00 0.00 H new ATOM 0 HA TYR T 78 12.705 -3.809 2.493 1.00 0.00 H new ATOM 0 HB2 TYR T 78 12.156 -2.975 -0.383 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.735 -3.401 0.245 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.279 -4.897 0.314 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.448 -5.549 -0.289 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.838 -7.261 -0.176 1.00 0.00 H new ATOM 0 HE2 TYR T 78 14.007 -7.913 -0.782 1.00 0.00 H new ATOM 0 HH TYR T 78 12.494 -9.509 -0.983 1.00 0.00 H new ATOM 1196 N GLY T 79 11.701 -0.892 2.418 1.00 0.00 N ATOM 1197 CA GLY T 79 12.003 0.499 2.699 1.00 0.00 C ATOM 1198 C GLY T 79 12.061 1.315 1.423 1.00 0.00 C ATOM 1199 O GLY T 79 11.983 0.768 0.324 1.00 0.00 O ATOM 0 H GLY T 79 10.724 -1.154 2.550 1.00 0.00 H new ATOM 0 HA2 GLY T 79 11.244 0.912 3.364 1.00 0.00 H new ATOM 0 HA3 GLY T 79 12.957 0.568 3.222 1.00 0.00 H new ATOM 1203 N ILE T 80 12.199 2.630 1.570 1.00 0.00 N ATOM 1204 CA ILE T 80 12.267 3.523 0.420 1.00 0.00 C ATOM 1205 C ILE T 80 13.443 3.166 -0.483 1.00 0.00 C ATOM 1206 O ILE T 80 14.601 3.266 -0.079 1.00 0.00 O ATOM 1207 CB ILE T 80 12.399 4.994 0.858 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.336 5.337 1.902 1.00 0.00 C ATOM 1209 CG2 ILE T 80 12.286 5.918 -0.346 1.00 0.00 C ATOM 1210 CD1 ILE T 80 11.721 6.485 2.809 1.00 0.00 C ATOM 0 H ILE T 80 12.266 3.099 2.473 1.00 0.00 H new ATOM 0 HA ILE T 80 11.336 3.399 -0.133 1.00 0.00 H new ATOM 0 HB ILE T 80 13.381 5.136 1.309 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.405 5.585 1.392 1.00 0.00 H new ATOM 0 HG13 ILE T 80 11.140 4.455 2.511 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.381 6.954 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE T 80 13.079 5.687 -1.057 1.00 0.00 H new ATOM 0 HG23 ILE T 80 11.317 5.776 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE T 80 10.918 6.670 3.523 1.00 0.00 H new ATOM 0 HD12 ILE T 80 12.634 6.233 3.348 1.00 0.00 H new ATOM 0 HD13 ILE T 80 11.888 7.381 2.211 1.00 0.00 H new ATOM 1222 N ARG T 81 13.137 2.748 -1.707 1.00 0.00 N ATOM 1223 CA ARG T 81 14.168 2.375 -2.668 1.00 0.00 C ATOM 1224 C ARG T 81 14.637 3.589 -3.464 1.00 0.00 C ATOM 1225 O ARG T 81 15.190 3.451 -4.555 1.00 0.00 O ATOM 1226 CB ARG T 81 13.642 1.299 -3.620 1.00 0.00 C ATOM 1227 CG ARG T 81 12.828 0.220 -2.926 1.00 0.00 C ATOM 1228 CD ARG T 81 13.551 -1.117 -2.934 1.00 0.00 C ATOM 1229 NE ARG T 81 13.980 -1.498 -4.277 1.00 0.00 N ATOM 1230 CZ ARG T 81 13.192 -2.113 -5.153 1.00 0.00 C ATOM 1231 NH1 ARG T 81 11.942 -2.413 -4.829 1.00 0.00 N ATOM 1232 NH2 ARG T 81 13.655 -2.427 -6.356 1.00 0.00 N ATOM 0 H ARG T 81 12.183 2.659 -2.057 1.00 0.00 H new ATOM 0 HA ARG T 81 15.018 1.977 -2.114 1.00 0.00 H new ATOM 0 HB2 ARG T 81 13.026 1.772 -4.385 1.00 0.00 H new ATOM 0 HB3 ARG T 81 14.485 0.834 -4.132 1.00 0.00 H new ATOM 0 HG2 ARG T 81 12.627 0.520 -1.897 1.00 0.00 H new ATOM 0 HG3 ARG T 81 11.863 0.116 -3.422 1.00 0.00 H new ATOM 0 HD2 ARG T 81 14.419 -1.064 -2.277 1.00 0.00 H new ATOM 0 HD3 ARG T 81 12.893 -1.887 -2.531 1.00 0.00 H new ATOM 0 HE ARG T 81 14.936 -1.280 -4.558 1.00 0.00 H new ATOM 0 HH11 ARG T 81 11.583 -2.172 -3.905 1.00 0.00 H new ATOM 0 HH12 ARG T 81 11.340 -2.885 -5.503 1.00 0.00 H new ATOM 0 HH21 ARG T 81 14.616 -2.196 -6.609 1.00 0.00 H new ATOM 0 HH22 ARG T 81 13.050 -2.899 -7.028 1.00 0.00 H new ATOM 1246 N LEU T 82 14.412 4.776 -2.910 1.00 0.00 N ATOM 1247 CA LEU T 82 14.813 6.014 -3.569 1.00 0.00 C ATOM 1248 C LEU T 82 14.249 6.081 -4.985 1.00 0.00 C ATOM 1249 O LEU T 82 14.905 6.575 -5.902 1.00 0.00 O ATOM 1250 CB LEU T 82 16.337 6.128 -3.606 1.00 0.00 C ATOM 1251 CG LEU T 82 16.908 7.507 -3.272 1.00 0.00 C ATOM 1252 CD1 LEU T 82 16.403 8.549 -4.258 1.00 0.00 C ATOM 1253 CD2 LEU T 82 16.547 7.903 -1.847 1.00 0.00 C ATOM 0 H LEU T 82 13.955 4.907 -2.008 1.00 0.00 H new ATOM 0 HA LEU T 82 14.410 6.849 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.754 5.403 -2.907 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.680 5.844 -4.601 1.00 0.00 H new ATOM 0 HG LEU T 82 17.994 7.457 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU T 82 16.820 9.523 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU T 82 16.711 8.275 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU T 82 15.315 8.597 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU T 82 16.961 8.887 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU T 82 15.463 7.934 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU T 82 16.958 7.172 -1.151 1.00 0.00 H new ATOM 1265 N ASN T 83 13.030 5.580 -5.155 1.00 0.00 N ATOM 1266 CA ASN T 83 12.378 5.582 -6.458 1.00 0.00 C ATOM 1267 C ASN T 83 10.868 5.731 -6.314 1.00 0.00 C ATOM 1268 O ASN T 83 10.111 4.805 -6.607 1.00 0.00 O ATOM 1269 CB ASN T 83 12.704 4.293 -7.216 1.00 0.00 C ATOM 1270 CG ASN T 83 12.940 4.537 -8.693 1.00 0.00 C ATOM 1271 OD1 ASN T 83 12.447 3.795 -9.543 1.00 0.00 O ATOM 1272 ND2 ASN T 83 13.698 5.581 -9.007 1.00 0.00 N ATOM 0 H ASN T 83 12.474 5.167 -4.406 1.00 0.00 H new ATOM 0 HA ASN T 83 12.756 6.435 -7.022 1.00 0.00 H new ATOM 0 HB2 ASN T 83 13.591 3.832 -6.780 1.00 0.00 H new ATOM 0 HB3 ASN T 83 11.884 3.585 -7.094 1.00 0.00 H new ATOM 0 HD21 ASN T 83 13.892 5.795 -9.985 1.00 0.00 H new ATOM 0 HD22 ASN T 83 14.086 6.169 -8.270 1.00 0.00 H new ATOM 1279 N ARG T 84 10.434 6.903 -5.861 1.00 0.00 N ATOM 1280 CA ARG T 84 9.014 7.174 -5.680 1.00 0.00 C ATOM 1281 C ARG T 84 8.284 7.173 -7.020 1.00 0.00 C ATOM 1282 O ARG T 84 7.061 7.300 -7.071 1.00 0.00 O ATOM 1283 CB ARG T 84 8.816 8.520 -4.981 1.00 0.00 C ATOM 1284 CG ARG T 84 8.860 8.429 -3.465 1.00 0.00 C ATOM 1285 CD ARG T 84 10.241 8.759 -2.923 1.00 0.00 C ATOM 1286 NE ARG T 84 10.177 9.446 -1.636 1.00 0.00 N ATOM 1287 CZ ARG T 84 10.616 10.685 -1.440 1.00 0.00 C ATOM 1288 NH1 ARG T 84 11.147 11.371 -2.444 1.00 0.00 N ATOM 1289 NH2 ARG T 84 10.524 11.241 -0.240 1.00 0.00 N ATOM 0 H ARG T 84 11.046 7.680 -5.613 1.00 0.00 H new ATOM 0 HA ARG T 84 8.595 6.383 -5.058 1.00 0.00 H new ATOM 0 HB2 ARG T 84 9.588 9.212 -5.318 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.857 8.940 -5.284 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.128 9.114 -3.038 1.00 0.00 H new ATOM 0 HG3 ARG T 84 8.577 7.424 -3.152 1.00 0.00 H new ATOM 0 HD2 ARG T 84 10.816 7.840 -2.814 1.00 0.00 H new ATOM 0 HD3 ARG T 84 10.772 9.384 -3.641 1.00 0.00 H new ATOM 0 HE ARG T 84 9.773 8.947 -0.843 1.00 0.00 H new ATOM 0 HH11 ARG T 84 11.219 10.948 -3.369 1.00 0.00 H new ATOM 0 HH12 ARG T 84 11.483 12.322 -2.291 1.00 0.00 H new ATOM 0 HH21 ARG T 84 10.116 10.718 0.535 1.00 0.00 H new ATOM 0 HH22 ARG T 84 10.861 12.192 -0.091 1.00 0.00 H new ATOM 1303 N SER T 85 9.044 7.029 -8.102 1.00 0.00 N ATOM 1304 CA SER T 85 8.470 7.012 -9.442 1.00 0.00 C ATOM 1305 C SER T 85 8.139 5.587 -9.876 1.00 0.00 C ATOM 1306 O SER T 85 7.867 5.333 -11.049 1.00 0.00 O ATOM 1307 CB SER T 85 9.436 7.650 -10.441 1.00 0.00 C ATOM 1308 OG SER T 85 8.765 8.029 -11.630 1.00 0.00 O ATOM 0 H SER T 85 10.058 6.923 -8.076 1.00 0.00 H new ATOM 0 HA SER T 85 7.546 7.589 -9.421 1.00 0.00 H new ATOM 0 HB2 SER T 85 9.905 8.525 -9.990 1.00 0.00 H new ATOM 0 HB3 SER T 85 10.234 6.947 -10.679 1.00 0.00 H new ATOM 0 HG SER T 85 8.179 7.299 -11.922 1.00 0.00 H new ATOM 1314 N GLU T 86 8.163 4.662 -8.922 1.00 0.00 N ATOM 1315 CA GLU T 86 7.863 3.264 -9.207 1.00 0.00 C ATOM 1316 C GLU T 86 6.391 3.090 -9.564 1.00 0.00 C ATOM 1317 O GLU T 86 5.649 4.066 -9.666 1.00 0.00 O ATOM 1318 CB GLU T 86 8.216 2.391 -8.002 1.00 0.00 C ATOM 1319 CG GLU T 86 9.676 1.972 -7.963 1.00 0.00 C ATOM 1320 CD GLU T 86 9.886 0.546 -8.434 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.390 0.203 -9.527 1.00 0.00 O ATOM 1322 OE2 GLU T 86 10.547 -0.228 -7.710 1.00 0.00 O ATOM 0 H GLU T 86 8.387 4.855 -7.946 1.00 0.00 H new ATOM 0 HA GLU T 86 8.465 2.952 -10.060 1.00 0.00 H new ATOM 0 HB2 GLU T 86 7.978 2.934 -7.088 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.590 1.498 -8.014 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.261 2.647 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.052 2.074 -6.945 1.00 0.00 H new ATOM 1329 N ARG T 87 5.972 1.842 -9.753 1.00 0.00 N ATOM 1330 CA ARG T 87 4.585 1.551 -10.099 1.00 0.00 C ATOM 1331 C ARG T 87 4.050 0.381 -9.283 1.00 0.00 C ATOM 1332 O ARG T 87 4.511 -0.751 -9.420 1.00 0.00 O ATOM 1333 CB ARG T 87 4.452 1.243 -11.588 1.00 0.00 C ATOM 1334 CG ARG T 87 5.306 2.127 -12.483 1.00 0.00 C ATOM 1335 CD ARG T 87 5.758 1.390 -13.734 1.00 0.00 C ATOM 1336 NE ARG T 87 6.820 2.106 -14.435 1.00 0.00 N ATOM 1337 CZ ARG T 87 7.037 2.004 -15.743 1.00 0.00 C ATOM 1338 NH1 ARG T 87 6.264 1.223 -16.486 1.00 0.00 N ATOM 1339 NH2 ARG T 87 8.024 2.685 -16.307 1.00 0.00 N ATOM 0 H ARG T 87 6.570 1.020 -9.673 1.00 0.00 H new ATOM 0 HA ARG T 87 3.995 2.437 -9.866 1.00 0.00 H new ATOM 0 HB2 ARG T 87 4.724 0.201 -11.758 1.00 0.00 H new ATOM 0 HB3 ARG T 87 3.407 1.351 -11.879 1.00 0.00 H new ATOM 0 HG2 ARG T 87 4.739 3.013 -12.768 1.00 0.00 H new ATOM 0 HG3 ARG T 87 6.179 2.472 -11.928 1.00 0.00 H new ATOM 0 HD2 ARG T 87 6.110 0.395 -13.462 1.00 0.00 H new ATOM 0 HD3 ARG T 87 4.908 1.256 -14.403 1.00 0.00 H new ATOM 0 HE ARG T 87 7.429 2.718 -13.892 1.00 0.00 H new ATOM 0 HH11 ARG T 87 5.502 0.700 -16.054 1.00 0.00 H new ATOM 0 HH12 ARG T 87 6.431 1.146 -17.489 1.00 0.00 H new ATOM 0 HH21 ARG T 87 8.618 3.288 -15.738 1.00 0.00 H new ATOM 0 HH22 ARG T 87 8.190 2.606 -17.310 1.00 0.00 H new ATOM 1353 N TRP T 88 3.065 0.670 -8.442 1.00 0.00 N ATOM 1354 CA TRP T 88 2.444 -0.345 -7.598 1.00 0.00 C ATOM 1355 C TRP T 88 0.999 0.036 -7.291 1.00 0.00 C ATOM 1356 O TRP T 88 0.244 0.417 -8.185 1.00 0.00 O ATOM 1357 CB TRP T 88 3.221 -0.509 -6.288 1.00 0.00 C ATOM 1358 CG TRP T 88 4.708 -0.506 -6.457 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.563 0.516 -6.164 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.519 -1.580 -6.949 1.00 0.00 C ATOM 1361 NE1 TRP T 88 6.855 0.147 -6.448 1.00 0.00 N ATOM 1362 CE2 TRP T 88 6.855 -1.135 -6.933 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.244 -2.872 -7.406 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 7.911 -1.939 -7.353 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.295 -3.669 -7.823 1.00 0.00 C ATOM 1366 CH2 TRP T 88 7.614 -3.200 -7.793 1.00 0.00 C ATOM 0 H TRP T 88 2.676 1.606 -8.325 1.00 0.00 H new ATOM 0 HA TRP T 88 2.460 -1.292 -8.138 1.00 0.00 H new ATOM 0 HB2 TRP T 88 2.941 0.296 -5.609 1.00 0.00 H new ATOM 0 HB3 TRP T 88 2.921 -1.444 -5.815 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.267 1.476 -5.767 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.681 0.732 -6.319 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.229 -3.241 -7.433 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 8.929 -1.580 -7.332 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.095 -4.669 -8.177 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.413 -3.847 -8.124 1.00 0.00 H new ATOM 1377 N ASP T 89 0.627 -0.059 -6.020 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.720 0.289 -5.589 1.00 0.00 C ATOM 1379 C ASP T 89 -0.672 1.399 -4.547 1.00 0.00 C ATOM 1380 O ASP T 89 0.387 1.965 -4.277 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.436 -0.934 -5.014 1.00 0.00 C ATOM 1382 CG ASP T 89 -0.584 -2.185 -5.088 1.00 0.00 C ATOM 1383 OD1 ASP T 89 -0.178 -2.561 -6.207 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -0.323 -2.787 -4.027 1.00 0.00 O ATOM 0 H ASP T 89 1.241 -0.375 -5.269 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.275 0.641 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -1.704 -0.740 -3.975 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.366 -1.097 -5.558 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.823 1.708 -3.965 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.906 2.753 -2.956 1.00 0.00 C ATOM 1391 C ALA T 90 -2.938 2.409 -1.891 1.00 0.00 C ATOM 1392 O ALA T 90 -4.047 1.976 -2.205 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.248 4.083 -3.608 1.00 0.00 C ATOM 0 H ALA T 90 -2.710 1.250 -4.174 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.934 2.833 -2.470 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.308 4.858 -2.844 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.474 4.344 -4.330 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.208 4.002 -4.118 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.574 2.612 -0.628 1.00 0.00 N ATOM 1400 CA TYR T 91 -3.476 2.332 0.477 1.00 0.00 C ATOM 1401 C TYR T 91 -4.159 3.615 0.932 1.00 0.00 C ATOM 1402 O TYR T 91 -3.530 4.476 1.538 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.706 1.709 1.641 1.00 0.00 C ATOM 1404 CG TYR T 91 -2.391 0.242 1.453 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -3.401 -0.714 1.447 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -1.082 -0.187 1.277 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -3.113 -2.054 1.270 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -0.787 -1.526 1.100 1.00 0.00 C ATOM 1409 CZ TYR T 91 -1.805 -2.454 1.098 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.515 -3.788 0.922 1.00 0.00 O ATOM 0 H TYR T 91 -1.661 2.969 -0.348 1.00 0.00 H new ATOM 0 HA TYR T 91 -4.236 1.627 0.140 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.773 2.256 1.781 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -3.287 1.831 2.555 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -4.427 -0.404 1.583 1.00 0.00 H new ATOM 0 HD2 TYR T 91 -0.281 0.537 1.278 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -3.909 -2.784 1.266 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.236 -1.843 0.964 1.00 0.00 H new ATOM 0 HH TYR T 91 -0.548 -3.901 0.814 1.00 0.00 H new ATOM 1420 N CYS T 92 -5.443 3.745 0.626 1.00 0.00 N ATOM 1421 CA CYS T 92 -6.195 4.934 1.002 1.00 0.00 C ATOM 1422 C CYS T 92 -6.779 4.793 2.403 1.00 0.00 C ATOM 1423 O CYS T 92 -7.293 3.738 2.770 1.00 0.00 O ATOM 1424 CB CYS T 92 -7.307 5.199 -0.012 1.00 0.00 C ATOM 1425 SG CYS T 92 -6.776 6.176 -1.455 1.00 0.00 S ATOM 0 H CYS T 92 -5.984 3.044 0.120 1.00 0.00 H new ATOM 0 HA CYS T 92 -5.510 5.782 1.005 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -7.704 4.245 -0.358 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -8.123 5.721 0.487 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.685 5.864 3.184 1.00 0.00 N ATOM 1431 CA TYR T 93 -7.192 5.869 4.549 1.00 0.00 C ATOM 1432 C TYR T 93 -7.846 7.207 4.877 1.00 0.00 C ATOM 1433 O TYR T 93 -7.305 8.266 4.561 1.00 0.00 O ATOM 1434 CB TYR T 93 -6.043 5.592 5.518 1.00 0.00 C ATOM 1435 CG TYR T 93 -6.447 5.620 6.976 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -6.961 6.771 7.559 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -6.307 4.490 7.771 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -7.326 6.795 8.892 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -6.669 4.506 9.105 1.00 0.00 C ATOM 1440 CZ TYR T 93 -7.178 5.660 9.661 1.00 0.00 C ATOM 1441 OH TYR T 93 -7.539 5.680 10.988 1.00 0.00 O ATOM 0 H TYR T 93 -6.260 6.744 2.892 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.947 5.089 4.648 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -5.615 4.616 5.289 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -5.258 6.330 5.355 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -7.078 7.663 6.961 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -5.909 3.583 7.340 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -7.725 7.698 9.329 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -6.554 3.618 9.709 1.00 0.00 H new ATOM 0 HH TYR T 93 -7.372 4.800 11.386 1.00 0.00 H new ATOM 1451 N ASN T 94 -9.009 7.153 5.514 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.733 8.364 5.886 1.00 0.00 C ATOM 1453 C ASN T 94 -10.200 8.292 7.337 1.00 0.00 C ATOM 1454 O ASN T 94 -10.410 7.206 7.876 1.00 0.00 O ATOM 1455 CB ASN T 94 -10.934 8.570 4.962 1.00 0.00 C ATOM 1456 CG ASN T 94 -10.535 9.083 3.592 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -9.433 8.817 3.113 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -11.434 9.824 2.954 1.00 0.00 N ATOM 0 H ASN T 94 -9.471 6.285 5.784 1.00 0.00 H new ATOM 0 HA ASN T 94 -9.054 9.211 5.781 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -11.468 7.626 4.851 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -11.625 9.276 5.423 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -11.223 10.198 2.029 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -12.335 10.019 3.389 1.00 0.00 H new ATOM 1465 N PRO T 95 -10.373 9.454 7.986 1.00 0.00 N ATOM 1466 CA PRO T 95 -10.824 9.518 9.379 1.00 0.00 C ATOM 1467 C PRO T 95 -12.021 8.611 9.628 1.00 0.00 C ATOM 1468 O PRO T 95 -12.178 8.048 10.711 1.00 0.00 O ATOM 1469 CB PRO T 95 -11.214 10.986 9.553 1.00 0.00 C ATOM 1470 CG PRO T 95 -10.349 11.718 8.585 1.00 0.00 C ATOM 1471 CD PRO T 95 -10.150 10.794 7.413 1.00 0.00 C ATOM 0 HA PRO T 95 -10.059 9.184 10.080 1.00 0.00 H new ATOM 0 HB2 PRO T 95 -12.271 11.144 9.339 1.00 0.00 H new ATOM 0 HB3 PRO T 95 -11.041 11.324 10.575 1.00 0.00 H new ATOM 0 HG2 PRO T 95 -10.820 12.649 8.270 1.00 0.00 H new ATOM 0 HG3 PRO T 95 -9.394 11.981 9.039 1.00 0.00 H new ATOM 0 HD2 PRO T 95 -10.854 11.009 6.609 1.00 0.00 H new ATOM 0 HD3 PRO T 95 -9.149 10.889 6.993 1.00 0.00 H new ATOM 1479 N HIS T 96 -12.858 8.467 8.606 1.00 0.00 N ATOM 1480 CA HIS T 96 -14.041 7.622 8.692 1.00 0.00 C ATOM 1481 C HIS T 96 -13.995 6.537 7.623 1.00 0.00 C ATOM 1482 O HIS T 96 -14.490 5.428 7.826 1.00 0.00 O ATOM 1483 CB HIS T 96 -15.309 8.462 8.534 1.00 0.00 C ATOM 1484 CG HIS T 96 -15.822 9.015 9.827 1.00 0.00 C ATOM 1485 ND1 HIS T 96 -16.884 8.466 10.512 1.00 0.00 N ATOM 1486 CD2 HIS T 96 -15.411 10.077 10.561 1.00 0.00 C ATOM 1487 CE1 HIS T 96 -17.106 9.165 11.612 1.00 0.00 C ATOM 1488 NE2 HIS T 96 -16.225 10.147 11.665 1.00 0.00 N ATOM 0 H HIS T 96 -12.737 8.928 7.704 1.00 0.00 H new ATOM 0 HA HIS T 96 -14.056 7.148 9.673 1.00 0.00 H new ATOM 0 HB2 HIS T 96 -15.107 9.286 7.850 1.00 0.00 H new ATOM 0 HB3 HIS T 96 -16.086 7.850 8.075 1.00 0.00 H new ATOM 0 HD2 HIS T 96 -14.596 10.744 10.323 1.00 0.00 H new ATOM 0 HE1 HIS T 96 -17.876 8.967 12.342 1.00 0.00 H new ATOM 0 HE2 HIS T 96 -16.160 10.845 12.406 1.00 0.00 H new ATOM 1497 N ALA T 97 -13.391 6.870 6.484 1.00 0.00 N ATOM 1498 CA ALA T 97 -13.266 5.934 5.372 1.00 0.00 C ATOM 1499 C ALA T 97 -14.454 4.979 5.313 1.00 0.00 C ATOM 1500 O ALA T 97 -14.298 3.766 5.454 1.00 0.00 O ATOM 1501 CB ALA T 97 -11.963 5.155 5.483 1.00 0.00 C ATOM 0 H ALA T 97 -12.979 7.786 6.308 1.00 0.00 H new ATOM 0 HA ALA T 97 -13.256 6.510 4.447 1.00 0.00 H new ATOM 0 HB1 ALA T 97 -11.882 4.460 4.647 1.00 0.00 H new ATOM 0 HB2 ALA T 97 -11.122 5.848 5.461 1.00 0.00 H new ATOM 0 HB3 ALA T 97 -11.951 4.598 6.420 1.00 0.00 H new ATOM 1507 N LYS T 98 -15.644 5.536 5.104 1.00 0.00 N ATOM 1508 CA LYS T 98 -16.860 4.734 5.026 1.00 0.00 C ATOM 1509 C LYS T 98 -17.401 4.705 3.601 1.00 0.00 C ATOM 1510 O LYS T 98 -17.362 5.758 2.932 1.00 0.00 O ATOM 1511 CB LYS T 98 -17.923 5.290 5.977 1.00 0.00 C ATOM 1512 CG LYS T 98 -19.076 4.331 6.223 1.00 0.00 C ATOM 1513 CD LYS T 98 -20.020 4.858 7.293 1.00 0.00 C ATOM 1514 CE LYS T 98 -21.379 4.181 7.219 1.00 0.00 C ATOM 1515 NZ LYS T 98 -21.353 2.817 7.815 1.00 0.00 N ATOM 1516 OXT LYS T 98 -17.862 3.628 3.166 1.00 0.00 O ATOM 0 H LYS T 98 -15.791 6.538 4.986 1.00 0.00 H new ATOM 0 HA LYS T 98 -16.614 3.714 5.323 1.00 0.00 H new ATOM 0 HB2 LYS T 98 -17.454 5.535 6.930 1.00 0.00 H new ATOM 0 HB3 LYS T 98 -18.316 6.220 5.567 1.00 0.00 H new ATOM 0 HG2 LYS T 98 -19.626 4.176 5.295 1.00 0.00 H new ATOM 0 HG3 LYS T 98 -18.685 3.360 6.527 1.00 0.00 H new ATOM 0 HD2 LYS T 98 -19.583 4.693 8.278 1.00 0.00 H new ATOM 0 HD3 LYS T 98 -20.142 5.935 7.174 1.00 0.00 H new ATOM 0 HE2 LYS T 98 -22.117 4.791 7.740 1.00 0.00 H new ATOM 0 HE3 LYS T 98 -21.696 4.116 6.178 1.00 0.00 H new ATOM 0 HZ1 LYS T 98 -22.298 2.389 7.745 1.00 0.00 H new ATOM 0 HZ2 LYS T 98 -20.667 2.227 7.302 1.00 0.00 H new ATOM 0 HZ3 LYS T 98 -21.075 2.880 8.815 1.00 0.00 H new TER 1530 LYS T 98