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 Single : T 1 GLY N :NH3+ -118:sc= 0.151 (180deg=0) USER MOD Single : T 3 TYR OH : rot 180:sc= -0.0039 USER MOD Single : T 4 HIS : no HE2:sc= -7.86! C(o=-7.9!,f=-10!) USER MOD Single : T 9 SER OG : rot -165:sc= -0.827 USER MOD Single : T 11 LYS NZ :NH3+ -170:sc=-0.00747 (180deg=-0.0793) USER MOD Single : T 12 TYR OH : rot 180:sc= -0.512 USER MOD Single : T 13 LYS NZ :NH3+ -150:sc= -0.577 (180deg=-1.56!) USER MOD Single : T 15 THR OG1 : rot 180:sc= 0.0505 USER MOD Single : T 16 TYR OH : rot 180:sc= 0 USER MOD Single : T 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 29 HIS : no HD1:sc= -0.82 K(o=-0.82,f=-1.9) USER MOD Single : T 32 THR OG1 : rot 180:sc= -0.52 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 35 GLN : amide:sc= -1.76 K(o=-1.8,f=-4.9!) USER MOD Single : T 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 45 HIS : no HE2:sc= -6.41! C(o=-6.4!,f=-5.4!) USER MOD Single : T 52 MET CE :methyl 145:sc= -2.36! (180deg=-3.43!) USER MOD Single : T 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 59 TYR OH : rot 145:sc= 0.512 USER MOD Single : T 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 67 ASN : amide:sc= -1.23! K(o=-1.2!,f=-0.088) 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 X(o=0,f=0) USER MOD Single : T 85 SER OG : rot 180:sc= 0 USER MOD Single : T 91 TYR OH : rot 180:sc= -0.559 USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD Single : T 94 ASN : amide:sc= -1.58 K(o=-1.6,f=-8.1!) USER MOD Single : T 96 HIS : no HD1:sc= -0.0208 X(o=-0.021,f=0) USER MOD Single : T 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY T 1 -10.271 4.118 9.216 1.00 0.00 N ATOM 2 CA GLY T 1 -10.855 3.405 8.047 1.00 0.00 C ATOM 3 C GLY T 1 -9.890 3.314 6.882 1.00 0.00 C ATOM 4 O GLY T 1 -10.008 4.059 5.910 1.00 0.00 O ATOM 0 H1 GLY T 1 -10.226 3.472 10.030 1.00 0.00 H new ATOM 0 H2 GLY T 1 -9.312 4.445 8.980 1.00 0.00 H new ATOM 0 H3 GLY T 1 -10.866 4.936 9.456 1.00 0.00 H new ATOM 0 HA2 GLY T 1 -11.151 2.400 8.349 1.00 0.00 H new ATOM 0 HA3 GLY T 1 -11.760 3.921 7.726 1.00 0.00 H new ATOM 10 N VAL T 2 -8.935 2.399 6.982 1.00 0.00 N ATOM 11 CA VAL T 2 -7.942 2.210 5.932 1.00 0.00 C ATOM 12 C VAL T 2 -8.396 1.159 4.927 1.00 0.00 C ATOM 13 O VAL T 2 -9.100 0.212 5.277 1.00 0.00 O ATOM 14 CB VAL T 2 -6.583 1.786 6.517 1.00 0.00 C ATOM 15 CG1 VAL T 2 -6.771 0.772 7.633 1.00 0.00 C ATOM 16 CG2 VAL T 2 -5.676 1.231 5.430 1.00 0.00 C ATOM 0 H VAL T 2 -8.827 1.775 7.781 1.00 0.00 H new ATOM 0 HA VAL T 2 -7.831 3.169 5.426 1.00 0.00 H new ATOM 0 HB VAL T 2 -6.104 2.670 6.938 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -5.798 0.486 8.032 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -7.374 1.213 8.427 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -7.276 -0.111 7.241 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -4.721 0.938 5.867 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -6.147 0.362 4.972 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -5.508 1.995 4.671 1.00 0.00 H new ATOM 26 N TYR T 3 -7.977 1.328 3.677 1.00 0.00 N ATOM 27 CA TYR T 3 -8.334 0.385 2.623 1.00 0.00 C ATOM 28 C TYR T 3 -7.343 0.450 1.466 1.00 0.00 C ATOM 29 O TYR T 3 -6.411 1.252 1.477 1.00 0.00 O ATOM 30 CB TYR T 3 -9.754 0.646 2.113 1.00 0.00 C ATOM 31 CG TYR T 3 -9.978 2.052 1.602 1.00 0.00 C ATOM 32 CD1 TYR T 3 -10.106 3.120 2.481 1.00 0.00 C ATOM 33 CD2 TYR T 3 -10.067 2.308 0.240 1.00 0.00 C ATOM 34 CE1 TYR T 3 -10.316 4.405 2.015 1.00 0.00 C ATOM 35 CE2 TYR T 3 -10.276 3.590 -0.233 1.00 0.00 C ATOM 36 CZ TYR T 3 -10.401 4.634 0.659 1.00 0.00 C ATOM 37 OH TYR T 3 -10.610 5.912 0.193 1.00 0.00 O ATOM 0 H TYR T 3 -7.392 2.105 3.370 1.00 0.00 H new ATOM 0 HA TYR T 3 -8.296 -0.616 3.053 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -9.977 -0.060 1.313 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.460 0.447 2.919 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -10.041 2.944 3.545 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -9.971 1.492 -0.461 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -10.413 5.225 2.711 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -10.341 3.773 -1.295 1.00 0.00 H new ATOM 0 HH TYR T 3 -10.644 5.902 -0.786 1.00 0.00 H new ATOM 47 N HIS T 4 -7.551 -0.411 0.476 1.00 0.00 N ATOM 48 CA HIS T 4 -6.675 -0.466 -0.689 1.00 0.00 C ATOM 49 C HIS T 4 -7.256 0.320 -1.858 1.00 0.00 C ATOM 50 O HIS T 4 -8.457 0.590 -1.906 1.00 0.00 O ATOM 51 CB HIS T 4 -6.442 -1.919 -1.103 1.00 0.00 C ATOM 52 CG HIS T 4 -5.371 -2.085 -2.135 1.00 0.00 C ATOM 53 ND1 HIS T 4 -5.634 -2.441 -3.441 1.00 0.00 N ATOM 54 CD2 HIS T 4 -4.027 -1.944 -2.048 1.00 0.00 C ATOM 55 CE1 HIS T 4 -4.498 -2.513 -4.112 1.00 0.00 C ATOM 56 NE2 HIS T 4 -3.509 -2.216 -3.290 1.00 0.00 N ATOM 0 H HIS T 4 -8.320 -1.081 0.457 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.723 -0.011 -0.414 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -6.177 -2.501 -0.220 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -7.374 -2.332 -1.489 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -6.560 -2.621 -3.828 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.467 -1.669 -1.166 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -4.396 -2.771 -5.156 1.00 0.00 H new ATOM 65 N ARG T 5 -6.393 0.682 -2.801 1.00 0.00 N ATOM 66 CA ARG T 5 -6.808 1.438 -3.976 1.00 0.00 C ATOM 67 C ARG T 5 -5.822 1.243 -5.123 1.00 0.00 C ATOM 68 O ARG T 5 -4.623 1.080 -4.901 1.00 0.00 O ATOM 69 CB ARG T 5 -6.917 2.921 -3.629 1.00 0.00 C ATOM 70 CG ARG T 5 -7.329 3.799 -4.800 1.00 0.00 C ATOM 71 CD ARG T 5 -8.785 4.224 -4.694 1.00 0.00 C ATOM 72 NE ARG T 5 -9.545 3.358 -3.797 1.00 0.00 N ATOM 73 CZ ARG T 5 -10.656 2.722 -4.155 1.00 0.00 C ATOM 74 NH1 ARG T 5 -11.133 2.855 -5.385 1.00 0.00 N ATOM 75 NH2 ARG T 5 -11.289 1.950 -3.282 1.00 0.00 N ATOM 0 H ARG T 5 -5.397 0.463 -2.774 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.783 1.070 -4.295 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -7.641 3.043 -2.823 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -5.956 3.267 -3.249 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -6.693 4.683 -4.834 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -7.174 3.258 -5.734 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -8.837 5.252 -4.335 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -9.240 4.208 -5.684 1.00 0.00 H new ATOM 0 HE ARG T 5 -9.205 3.234 -2.843 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -10.647 3.446 -6.059 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -11.986 2.366 -5.657 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -10.923 1.844 -2.336 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -12.142 1.462 -3.557 1.00 0.00 H new ATOM 89 N GLU T 6 -6.335 1.266 -6.349 1.00 0.00 N ATOM 90 CA GLU T 6 -5.495 1.094 -7.530 1.00 0.00 C ATOM 91 C GLU T 6 -5.431 2.380 -8.345 1.00 0.00 C ATOM 92 O GLU T 6 -5.855 3.441 -7.887 1.00 0.00 O ATOM 93 CB GLU T 6 -6.018 -0.048 -8.404 1.00 0.00 C ATOM 94 CG GLU T 6 -7.227 0.331 -9.243 1.00 0.00 C ATOM 95 CD GLU T 6 -8.430 0.698 -8.398 1.00 0.00 C ATOM 96 OE1 GLU T 6 -8.925 -0.178 -7.658 1.00 0.00 O ATOM 97 OE2 GLU T 6 -8.877 1.861 -8.473 1.00 0.00 O ATOM 0 H GLU T 6 -7.326 1.402 -6.551 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.490 0.847 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -5.219 -0.384 -9.065 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -6.280 -0.892 -7.766 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -6.969 1.172 -9.886 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -7.487 -0.502 -9.896 1.00 0.00 H new ATOM 104 N ALA T 7 -4.896 2.274 -9.555 1.00 0.00 N ATOM 105 CA ALA T 7 -4.772 3.425 -10.440 1.00 0.00 C ATOM 106 C ALA T 7 -5.847 3.407 -11.520 1.00 0.00 C ATOM 107 O ALA T 7 -6.380 2.351 -11.863 1.00 0.00 O ATOM 108 CB ALA T 7 -3.389 3.457 -11.072 1.00 0.00 C ATOM 0 H ALA T 7 -4.541 1.402 -9.946 1.00 0.00 H new ATOM 0 HA ALA T 7 -4.909 4.327 -9.843 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -3.310 4.322 -11.731 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.633 3.526 -10.290 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -3.231 2.546 -11.649 1.00 0.00 H new ATOM 114 N ARG T 8 -6.159 4.583 -12.055 1.00 0.00 N ATOM 115 CA ARG T 8 -7.170 4.703 -13.101 1.00 0.00 C ATOM 116 C ARG T 8 -6.756 3.926 -14.345 1.00 0.00 C ATOM 117 O ARG T 8 -7.584 3.625 -15.205 1.00 0.00 O ATOM 118 CB ARG T 8 -7.396 6.174 -13.456 1.00 0.00 C ATOM 119 CG ARG T 8 -8.324 6.900 -12.495 1.00 0.00 C ATOM 120 CD ARG T 8 -7.609 7.296 -11.213 1.00 0.00 C ATOM 121 NE ARG T 8 -8.268 8.414 -10.544 1.00 0.00 N ATOM 122 CZ ARG T 8 -9.187 8.265 -9.594 1.00 0.00 C ATOM 123 NH1 ARG T 8 -9.551 7.051 -9.205 1.00 0.00 N ATOM 124 NH2 ARG T 8 -9.742 9.331 -9.034 1.00 0.00 N ATOM 0 H ARG T 8 -5.727 5.466 -11.782 1.00 0.00 H new ATOM 0 HA ARG T 8 -8.101 4.282 -12.723 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -6.434 6.686 -13.474 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -7.809 6.236 -14.463 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -8.724 7.791 -12.979 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -9.173 6.260 -12.255 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -7.572 6.440 -10.539 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -6.578 7.566 -11.441 1.00 0.00 H new ATOM 0 HE ARG T 8 -8.009 9.361 -10.820 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -9.126 6.229 -9.634 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -10.256 6.939 -8.476 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -9.464 10.266 -9.332 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -10.447 9.216 -8.306 1.00 0.00 H new ATOM 138 N SER T 9 -5.469 3.603 -14.432 1.00 0.00 N ATOM 139 CA SER T 9 -4.943 2.860 -15.571 1.00 0.00 C ATOM 140 C SER T 9 -4.814 1.376 -15.239 1.00 0.00 C ATOM 141 O SER T 9 -4.850 0.525 -16.128 1.00 0.00 O ATOM 142 CB SER T 9 -3.584 3.422 -15.989 1.00 0.00 C ATOM 143 OG SER T 9 -2.847 3.869 -14.864 1.00 0.00 O ATOM 0 H SER T 9 -4.772 3.844 -13.727 1.00 0.00 H new ATOM 0 HA SER T 9 -5.643 2.969 -16.400 1.00 0.00 H new ATOM 0 HB2 SER T 9 -3.017 2.655 -16.517 1.00 0.00 H new ATOM 0 HB3 SER T 9 -3.728 4.249 -16.685 1.00 0.00 H new ATOM 0 HG SER T 9 -2.102 4.431 -15.163 1.00 0.00 H new ATOM 149 N GLY T 10 -4.665 1.072 -13.953 1.00 0.00 N ATOM 150 CA GLY T 10 -4.535 -0.310 -13.529 1.00 0.00 C ATOM 151 C GLY T 10 -3.515 -0.483 -12.420 1.00 0.00 C ATOM 152 O GLY T 10 -2.734 0.426 -12.136 1.00 0.00 O ATOM 0 H GLY T 10 -4.632 1.757 -13.198 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -5.504 -0.675 -13.188 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -4.246 -0.923 -14.383 1.00 0.00 H new ATOM 156 N LYS T 11 -3.526 -1.654 -11.793 1.00 0.00 N ATOM 157 CA LYS T 11 -2.600 -1.956 -10.707 1.00 0.00 C ATOM 158 C LYS T 11 -1.152 -1.804 -11.163 1.00 0.00 C ATOM 159 O LYS T 11 -0.839 -1.978 -12.341 1.00 0.00 O ATOM 160 CB LYS T 11 -2.842 -3.376 -10.192 1.00 0.00 C ATOM 161 CG LYS T 11 -1.700 -3.919 -9.348 1.00 0.00 C ATOM 162 CD LYS T 11 -2.020 -5.302 -8.803 1.00 0.00 C ATOM 163 CE LYS T 11 -1.292 -6.390 -9.577 1.00 0.00 C ATOM 164 NZ LYS T 11 -1.600 -6.337 -11.033 1.00 0.00 N ATOM 0 H LYS T 11 -4.169 -2.413 -12.019 1.00 0.00 H new ATOM 0 HA LYS T 11 -2.778 -1.246 -9.900 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -3.758 -3.388 -9.601 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -3.002 -4.040 -11.042 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -0.792 -3.965 -9.949 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -1.501 -3.238 -8.521 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -1.740 -5.353 -7.751 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -3.095 -5.475 -8.855 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -0.217 -6.283 -9.429 1.00 0.00 H new ATOM 0 HE3 LYS T 11 -1.573 -7.366 -9.182 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -1.225 -7.188 -11.498 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -2.630 -6.294 -11.169 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -1.160 -5.492 -11.450 1.00 0.00 H new ATOM 178 N TYR T 12 -0.272 -1.482 -10.218 1.00 0.00 N ATOM 179 CA TYR T 12 1.145 -1.308 -10.515 1.00 0.00 C ATOM 180 C TYR T 12 1.363 -0.174 -11.511 1.00 0.00 C ATOM 181 O TYR T 12 1.967 -0.367 -12.565 1.00 0.00 O ATOM 182 CB TYR T 12 1.737 -2.610 -11.060 1.00 0.00 C ATOM 183 CG TYR T 12 1.807 -3.721 -10.036 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.527 -3.477 -8.697 1.00 0.00 C ATOM 185 CD2 TYR T 12 2.152 -5.014 -10.409 1.00 0.00 C ATOM 186 CE1 TYR T 12 1.590 -4.488 -7.759 1.00 0.00 C ATOM 187 CE2 TYR T 12 2.217 -6.031 -9.475 1.00 0.00 C ATOM 188 CZ TYR T 12 1.935 -5.763 -8.152 1.00 0.00 C ATOM 189 OH TYR T 12 1.999 -6.773 -7.220 1.00 0.00 O ATOM 0 H TYR T 12 -0.517 -1.336 -9.239 1.00 0.00 H new ATOM 0 HA TYR T 12 1.654 -1.047 -9.587 1.00 0.00 H new ATOM 0 HB2 TYR T 12 1.138 -2.945 -11.906 1.00 0.00 H new ATOM 0 HB3 TYR T 12 2.740 -2.413 -11.438 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.255 -2.479 -8.385 1.00 0.00 H new ATOM 0 HD2 TYR T 12 2.373 -5.228 -11.444 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.370 -4.281 -6.722 1.00 0.00 H new ATOM 0 HE2 TYR T 12 2.487 -7.031 -9.780 1.00 0.00 H new ATOM 0 HH TYR T 12 2.255 -7.610 -7.661 1.00 0.00 H new ATOM 199 N LYS T 13 0.871 1.009 -11.163 1.00 0.00 N ATOM 200 CA LYS T 13 1.010 2.182 -12.018 1.00 0.00 C ATOM 201 C LYS T 13 0.938 3.460 -11.190 1.00 0.00 C ATOM 202 O LYS T 13 0.870 4.563 -11.733 1.00 0.00 O ATOM 203 CB LYS T 13 -0.084 2.193 -13.088 1.00 0.00 C ATOM 204 CG LYS T 13 0.192 1.253 -14.251 1.00 0.00 C ATOM 205 CD LYS T 13 -0.472 1.737 -15.531 1.00 0.00 C ATOM 206 CE LYS T 13 -1.448 0.709 -16.077 1.00 0.00 C ATOM 207 NZ LYS T 13 -1.699 0.898 -17.533 1.00 0.00 N ATOM 0 H LYS T 13 0.370 1.182 -10.291 1.00 0.00 H new ATOM 0 HA LYS T 13 1.983 2.135 -12.506 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -1.033 1.919 -12.628 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.196 3.207 -13.470 1.00 0.00 H new ATOM 0 HG2 LYS T 13 1.268 1.172 -14.407 1.00 0.00 H new ATOM 0 HG3 LYS T 13 -0.171 0.255 -14.007 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -0.998 2.672 -15.338 1.00 0.00 H new ATOM 0 HD3 LYS T 13 0.291 1.949 -16.280 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -1.055 -0.293 -15.904 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -2.391 0.780 -15.534 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -2.662 0.579 -17.764 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 -1.601 1.905 -17.774 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 -1.010 0.342 -18.079 1.00 0.00 H new ATOM 221 N LEU T 14 0.945 3.301 -9.871 1.00 0.00 N ATOM 222 CA LEU T 14 0.873 4.435 -8.959 1.00 0.00 C ATOM 223 C LEU T 14 2.190 4.635 -8.220 1.00 0.00 C ATOM 224 O LEU T 14 2.761 3.689 -7.676 1.00 0.00 O ATOM 225 CB LEU T 14 -0.253 4.220 -7.949 1.00 0.00 C ATOM 226 CG LEU T 14 -1.633 4.696 -8.400 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.721 3.905 -7.694 1.00 0.00 C ATOM 228 CD2 LEU T 14 -1.793 6.186 -8.138 1.00 0.00 C ATOM 0 H LEU T 14 1.000 2.393 -9.409 1.00 0.00 H new ATOM 0 HA LEU T 14 0.672 5.329 -9.549 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.312 3.157 -7.716 1.00 0.00 H new ATOM 0 HB3 LEU T 14 0.007 4.735 -7.024 1.00 0.00 H new ATOM 0 HG LEU T 14 -1.727 4.527 -9.473 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.699 4.255 -8.025 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.615 2.847 -7.933 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.632 4.045 -6.617 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -2.781 6.509 -8.465 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.682 6.382 -7.072 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -1.031 6.736 -8.689 1.00 0.00 H new ATOM 240 N THR T 15 2.658 5.876 -8.194 1.00 0.00 N ATOM 241 CA THR T 15 3.896 6.213 -7.509 1.00 0.00 C ATOM 242 C THR T 15 3.592 6.887 -6.178 1.00 0.00 C ATOM 243 O THR T 15 2.601 7.603 -6.056 1.00 0.00 O ATOM 244 CB THR T 15 4.777 7.147 -8.361 1.00 0.00 C ATOM 245 OG1 THR T 15 4.360 8.507 -8.190 1.00 0.00 O ATOM 246 CG2 THR T 15 4.700 6.771 -9.833 1.00 0.00 C ATOM 0 H THR T 15 2.196 6.668 -8.642 1.00 0.00 H new ATOM 0 HA THR T 15 4.441 5.284 -7.339 1.00 0.00 H new ATOM 0 HB THR T 15 5.809 7.039 -8.027 1.00 0.00 H new ATOM 0 HG1 THR T 15 4.926 9.094 -8.734 1.00 0.00 H new ATOM 0 HG21 THR T 15 5.330 7.444 -10.414 1.00 0.00 H new ATOM 0 HG22 THR T 15 5.046 5.746 -9.965 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.669 6.853 -10.176 1.00 0.00 H new ATOM 254 N TYR T 16 4.437 6.653 -5.179 1.00 0.00 N ATOM 255 CA TYR T 16 4.233 7.244 -3.861 1.00 0.00 C ATOM 256 C TYR T 16 3.609 8.630 -3.975 1.00 0.00 C ATOM 257 O TYR T 16 2.736 8.997 -3.187 1.00 0.00 O ATOM 258 CB TYR T 16 5.555 7.338 -3.101 1.00 0.00 C ATOM 259 CG TYR T 16 5.451 8.113 -1.809 1.00 0.00 C ATOM 260 CD1 TYR T 16 4.864 7.549 -0.681 1.00 0.00 C ATOM 261 CD2 TYR T 16 5.936 9.411 -1.717 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.764 8.259 0.501 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.841 10.127 -0.538 1.00 0.00 C ATOM 264 CZ TYR T 16 5.255 9.546 0.567 1.00 0.00 C ATOM 265 OH TYR T 16 5.157 10.256 1.742 1.00 0.00 O ATOM 0 H TYR T 16 5.265 6.062 -5.256 1.00 0.00 H new ATOM 0 HA TYR T 16 3.551 6.596 -3.310 1.00 0.00 H new ATOM 0 HB2 TYR T 16 5.913 6.332 -2.884 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.300 7.811 -3.741 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.480 6.541 -0.729 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.395 9.869 -2.581 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.304 7.808 1.368 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.224 11.135 -0.483 1.00 0.00 H new ATOM 0 HH TYR T 16 5.551 11.145 1.621 1.00 0.00 H new ATOM 275 N ALA T 17 4.061 9.397 -4.961 1.00 0.00 N ATOM 276 CA ALA T 17 3.548 10.743 -5.180 1.00 0.00 C ATOM 277 C ALA T 17 2.106 10.712 -5.681 1.00 0.00 C ATOM 278 O ALA T 17 1.259 11.461 -5.196 1.00 0.00 O ATOM 279 CB ALA T 17 4.441 11.491 -6.159 1.00 0.00 C ATOM 0 H ALA T 17 4.783 9.109 -5.622 1.00 0.00 H new ATOM 0 HA ALA T 17 3.554 11.269 -4.225 1.00 0.00 H new ATOM 0 HB1 ALA T 17 4.048 12.496 -6.315 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.451 11.555 -5.754 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.464 10.959 -7.110 1.00 0.00 H new ATOM 285 N GLU T 18 1.831 9.838 -6.645 1.00 0.00 N ATOM 286 CA GLU T 18 0.490 9.711 -7.196 1.00 0.00 C ATOM 287 C GLU T 18 -0.425 9.002 -6.205 1.00 0.00 C ATOM 288 O GLU T 18 -1.519 9.478 -5.902 1.00 0.00 O ATOM 289 CB GLU T 18 0.539 8.936 -8.512 1.00 0.00 C ATOM 290 CG GLU T 18 1.399 9.601 -9.574 1.00 0.00 C ATOM 291 CD GLU T 18 1.543 8.756 -10.824 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.688 7.522 -10.692 1.00 0.00 O ATOM 293 OE2 GLU T 18 1.509 9.327 -11.934 1.00 0.00 O ATOM 0 H GLU T 18 2.519 9.209 -7.059 1.00 0.00 H new ATOM 0 HA GLU T 18 0.092 10.708 -7.385 1.00 0.00 H new ATOM 0 HB2 GLU T 18 0.922 7.934 -8.320 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.475 8.822 -8.896 1.00 0.00 H new ATOM 0 HG2 GLU T 18 0.962 10.563 -9.839 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.387 9.803 -9.161 1.00 0.00 H new ATOM 300 N ALA T 19 0.041 7.866 -5.700 1.00 0.00 N ATOM 301 CA ALA T 19 -0.717 7.083 -4.736 1.00 0.00 C ATOM 302 C ALA T 19 -1.246 7.966 -3.610 1.00 0.00 C ATOM 303 O ALA T 19 -2.384 7.812 -3.166 1.00 0.00 O ATOM 304 CB ALA T 19 0.158 5.974 -4.172 1.00 0.00 C ATOM 0 H ALA T 19 0.947 7.466 -5.945 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.573 6.640 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.414 5.390 -3.451 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.490 5.325 -4.982 1.00 0.00 H new ATOM 0 HB3 ALA T 19 1.026 6.411 -3.678 1.00 0.00 H new ATOM 310 N LYS T 20 -0.407 8.891 -3.155 1.00 0.00 N ATOM 311 CA LYS T 20 -0.779 9.804 -2.082 1.00 0.00 C ATOM 312 C LYS T 20 -1.755 10.861 -2.581 1.00 0.00 C ATOM 313 O LYS T 20 -2.796 11.094 -1.970 1.00 0.00 O ATOM 314 CB LYS T 20 0.471 10.477 -1.515 1.00 0.00 C ATOM 315 CG LYS T 20 0.288 11.016 -0.105 1.00 0.00 C ATOM 316 CD LYS T 20 0.373 12.533 -0.072 1.00 0.00 C ATOM 317 CE LYS T 20 1.689 13.005 0.524 1.00 0.00 C ATOM 318 NZ LYS T 20 2.385 13.979 -0.362 1.00 0.00 N ATOM 0 H LYS T 20 0.538 9.028 -3.514 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.269 9.228 -1.296 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.292 9.760 -1.517 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.762 11.296 -2.173 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.678 10.696 0.285 1.00 0.00 H new ATOM 0 HG3 LYS T 20 1.051 10.594 0.549 1.00 0.00 H new ATOM 0 HD2 LYS T 20 0.269 12.926 -1.083 1.00 0.00 H new ATOM 0 HD3 LYS T 20 -0.456 12.932 0.512 1.00 0.00 H new ATOM 0 HE2 LYS T 20 1.503 13.466 1.494 1.00 0.00 H new ATOM 0 HE3 LYS T 20 2.337 12.146 0.698 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 3.278 14.275 0.082 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 2.586 13.532 -1.279 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 1.778 14.811 -0.508 1.00 0.00 H new ATOM 332 N ALA T 21 -1.408 11.501 -3.690 1.00 0.00 N ATOM 333 CA ALA T 21 -2.254 12.539 -4.270 1.00 0.00 C ATOM 334 C ALA T 21 -3.703 12.077 -4.384 1.00 0.00 C ATOM 335 O ALA T 21 -4.630 12.840 -4.118 1.00 0.00 O ATOM 336 CB ALA T 21 -1.725 12.952 -5.635 1.00 0.00 C ATOM 0 H ALA T 21 -0.547 11.321 -4.207 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.228 13.401 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -2.367 13.727 -6.055 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -0.711 13.338 -5.531 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -1.718 12.088 -6.299 1.00 0.00 H new ATOM 342 N VAL T 22 -3.889 10.825 -4.785 1.00 0.00 N ATOM 343 CA VAL T 22 -5.226 10.260 -4.941 1.00 0.00 C ATOM 344 C VAL T 22 -5.901 10.045 -3.592 1.00 0.00 C ATOM 345 O VAL T 22 -7.011 10.520 -3.358 1.00 0.00 O ATOM 346 CB VAL T 22 -5.183 8.921 -5.702 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.439 8.108 -5.426 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.009 9.158 -7.194 1.00 0.00 C ATOM 0 H VAL T 22 -3.131 10.180 -5.008 1.00 0.00 H new ATOM 0 HA VAL T 22 -5.805 10.981 -5.518 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.324 8.351 -5.347 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.390 7.166 -5.972 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.513 7.905 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.315 8.670 -5.750 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -4.981 8.200 -7.714 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -5.844 9.750 -7.568 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.077 9.694 -7.371 1.00 0.00 H new ATOM 358 N CYS T 23 -5.224 9.321 -2.711 1.00 0.00 N ATOM 359 CA CYS T 23 -5.755 9.038 -1.386 1.00 0.00 C ATOM 360 C CYS T 23 -5.990 10.327 -0.607 1.00 0.00 C ATOM 361 O CYS T 23 -7.009 10.481 0.066 1.00 0.00 O ATOM 362 CB CYS T 23 -4.795 8.127 -0.623 1.00 0.00 C ATOM 363 SG CYS T 23 -4.795 6.401 -1.207 1.00 0.00 S ATOM 0 H CYS T 23 -4.304 8.919 -2.891 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.713 8.531 -1.500 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -3.785 8.529 -0.706 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -5.058 8.143 0.435 1.00 0.00 H new ATOM 368 N GLU T 24 -5.043 11.253 -0.709 1.00 0.00 N ATOM 369 CA GLU T 24 -5.145 12.533 -0.020 1.00 0.00 C ATOM 370 C GLU T 24 -6.021 13.503 -0.806 1.00 0.00 C ATOM 371 O GLU T 24 -6.388 14.568 -0.309 1.00 0.00 O ATOM 372 CB GLU T 24 -3.753 13.137 0.186 1.00 0.00 C ATOM 373 CG GLU T 24 -3.714 14.245 1.226 1.00 0.00 C ATOM 374 CD GLU T 24 -2.348 14.399 1.864 1.00 0.00 C ATOM 375 OE1 GLU T 24 -1.975 13.534 2.684 1.00 0.00 O ATOM 376 OE2 GLU T 24 -1.650 15.384 1.543 1.00 0.00 O ATOM 0 H GLU T 24 -4.194 11.140 -1.264 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.606 12.360 0.952 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.064 12.346 0.485 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.393 13.531 -0.765 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -4.001 15.187 0.759 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.451 14.037 2.001 1.00 0.00 H new ATOM 383 N PHE T 25 -6.353 13.123 -2.036 1.00 0.00 N ATOM 384 CA PHE T 25 -7.188 13.952 -2.898 1.00 0.00 C ATOM 385 C PHE T 25 -8.494 14.316 -2.206 1.00 0.00 C ATOM 386 O PHE T 25 -8.879 15.484 -2.153 1.00 0.00 O ATOM 387 CB PHE T 25 -7.483 13.221 -4.208 1.00 0.00 C ATOM 388 CG PHE T 25 -7.419 14.105 -5.419 1.00 0.00 C ATOM 389 CD1 PHE T 25 -6.197 14.526 -5.920 1.00 0.00 C ATOM 390 CD2 PHE T 25 -8.578 14.516 -6.055 1.00 0.00 C ATOM 391 CE1 PHE T 25 -6.134 15.338 -7.036 1.00 0.00 C ATOM 392 CE2 PHE T 25 -8.521 15.330 -7.171 1.00 0.00 C ATOM 393 CZ PHE T 25 -7.297 15.741 -7.662 1.00 0.00 C ATOM 0 H PHE T 25 -6.055 12.244 -2.459 1.00 0.00 H new ATOM 0 HA PHE T 25 -6.643 14.871 -3.113 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -6.771 12.405 -4.327 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.475 12.772 -4.148 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -5.284 14.216 -5.433 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -9.537 14.197 -5.675 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -5.176 15.657 -7.419 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -9.432 15.644 -7.658 1.00 0.00 H new ATOM 0 HZ PHE T 25 -7.250 16.376 -8.534 1.00 0.00 H new ATOM 403 N GLU T 26 -9.175 13.305 -1.682 1.00 0.00 N ATOM 404 CA GLU T 26 -10.445 13.510 -0.998 1.00 0.00 C ATOM 405 C GLU T 26 -10.251 13.598 0.511 1.00 0.00 C ATOM 406 O GLU T 26 -10.785 12.786 1.267 1.00 0.00 O ATOM 407 CB GLU T 26 -11.414 12.383 -1.343 1.00 0.00 C ATOM 408 CG GLU T 26 -11.514 12.118 -2.833 1.00 0.00 C ATOM 409 CD GLU T 26 -12.460 10.979 -3.162 1.00 0.00 C ATOM 410 OE1 GLU T 26 -13.682 11.224 -3.228 1.00 0.00 O ATOM 411 OE2 GLU T 26 -11.977 9.844 -3.355 1.00 0.00 O ATOM 0 H GLU T 26 -8.868 12.333 -1.718 1.00 0.00 H new ATOM 0 HA GLU T 26 -10.864 14.457 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.095 11.471 -0.839 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.403 12.631 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -11.852 13.023 -3.337 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.523 11.887 -3.224 1.00 0.00 H new ATOM 418 N GLY T 27 -9.488 14.596 0.935 1.00 0.00 N ATOM 419 CA GLY T 27 -9.232 14.794 2.351 1.00 0.00 C ATOM 420 C GLY T 27 -8.847 13.508 3.054 1.00 0.00 C ATOM 421 O GLY T 27 -9.126 13.333 4.240 1.00 0.00 O ATOM 0 H GLY T 27 -9.039 15.276 0.322 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -8.433 15.525 2.474 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -10.121 15.211 2.823 1.00 0.00 H new ATOM 425 N GLY T 28 -8.199 12.606 2.325 1.00 0.00 N ATOM 426 CA GLY T 28 -7.782 11.343 2.905 1.00 0.00 C ATOM 427 C GLY T 28 -6.273 11.257 3.023 1.00 0.00 C ATOM 428 O GLY T 28 -5.573 12.250 2.833 1.00 0.00 O ATOM 0 H GLY T 28 -7.955 12.727 1.342 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -8.232 11.228 3.891 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -8.147 10.521 2.290 1.00 0.00 H new ATOM 432 N HIS T 29 -5.768 10.067 3.334 1.00 0.00 N ATOM 433 CA HIS T 29 -4.333 9.861 3.472 1.00 0.00 C ATOM 434 C HIS T 29 -3.976 8.409 3.196 1.00 0.00 C ATOM 435 O HIS T 29 -4.647 7.497 3.677 1.00 0.00 O ATOM 436 CB HIS T 29 -3.868 10.253 4.876 1.00 0.00 C ATOM 437 CG HIS T 29 -4.977 10.733 5.761 1.00 0.00 C ATOM 438 ND1 HIS T 29 -5.408 12.043 5.782 1.00 0.00 N ATOM 439 CD2 HIS T 29 -5.745 10.071 6.658 1.00 0.00 C ATOM 440 CE1 HIS T 29 -6.394 12.166 6.654 1.00 0.00 C ATOM 441 NE2 HIS T 29 -6.617 10.984 7.198 1.00 0.00 N ATOM 0 H HIS T 29 -6.332 9.232 3.495 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.826 10.494 2.744 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.387 9.394 5.344 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.114 11.036 4.795 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -5.683 9.021 6.903 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -6.926 13.078 6.882 1.00 0.00 H new ATOM 0 HE2 HIS T 29 -7.323 10.782 7.906 1.00 0.00 H new ATOM 450 N LEU T 30 -2.920 8.194 2.421 1.00 0.00 N ATOM 451 CA LEU T 30 -2.497 6.842 2.098 1.00 0.00 C ATOM 452 C LEU T 30 -1.983 6.139 3.346 1.00 0.00 C ATOM 453 O LEU T 30 -1.105 6.646 4.045 1.00 0.00 O ATOM 454 CB LEU T 30 -1.434 6.853 0.995 1.00 0.00 C ATOM 455 CG LEU T 30 -0.048 6.360 1.408 1.00 0.00 C ATOM 456 CD1 LEU T 30 0.123 4.896 1.037 1.00 0.00 C ATOM 457 CD2 LEU T 30 1.038 7.208 0.760 1.00 0.00 C ATOM 0 H LEU T 30 -2.348 8.931 2.010 1.00 0.00 H new ATOM 0 HA LEU T 30 -3.358 6.289 1.723 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -1.788 6.237 0.168 1.00 0.00 H new ATOM 0 HB3 LEU T 30 -1.340 7.871 0.616 1.00 0.00 H new ATOM 0 HG LEU T 30 0.046 6.456 2.490 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.115 4.558 1.337 1.00 0.00 H new ATOM 0 HD12 LEU T 30 -0.633 4.300 1.548 1.00 0.00 H new ATOM 0 HD13 LEU T 30 0.010 4.778 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU T 30 2.018 6.841 1.067 1.00 0.00 H new ATOM 0 HD22 LEU T 30 0.950 7.145 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU T 30 0.925 8.246 1.074 1.00 0.00 H new ATOM 469 N ALA T 31 -2.558 4.979 3.631 1.00 0.00 N ATOM 470 CA ALA T 31 -2.186 4.205 4.808 1.00 0.00 C ATOM 471 C ALA T 31 -0.675 4.023 4.904 1.00 0.00 C ATOM 472 O ALA T 31 0.050 4.236 3.932 1.00 0.00 O ATOM 473 CB ALA T 31 -2.885 2.855 4.795 1.00 0.00 C ATOM 0 H ALA T 31 -3.287 4.551 3.060 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.508 4.761 5.688 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.597 2.288 5.680 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -3.965 3.004 4.795 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.595 2.304 3.901 1.00 0.00 H new ATOM 479 N THR T 32 -0.208 3.631 6.085 1.00 0.00 N ATOM 480 CA THR T 32 1.216 3.423 6.317 1.00 0.00 C ATOM 481 C THR T 32 1.538 1.950 6.521 1.00 0.00 C ATOM 482 O THR T 32 0.773 1.071 6.122 1.00 0.00 O ATOM 483 CB THR T 32 1.703 4.201 7.553 1.00 0.00 C ATOM 484 OG1 THR T 32 1.361 3.483 8.746 1.00 0.00 O ATOM 485 CG2 THR T 32 1.088 5.589 7.595 1.00 0.00 C ATOM 0 H THR T 32 -0.797 3.451 6.898 1.00 0.00 H new ATOM 0 HA THR T 32 1.729 3.789 5.428 1.00 0.00 H new ATOM 0 HB THR T 32 2.786 4.305 7.489 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.675 3.982 9.529 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.447 6.119 8.477 1.00 0.00 H new ATOM 0 HG22 THR T 32 1.373 6.140 6.699 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.002 5.505 7.639 1.00 0.00 H new ATOM 493 N TYR T 33 2.673 1.691 7.160 1.00 0.00 N ATOM 494 CA TYR T 33 3.105 0.328 7.439 1.00 0.00 C ATOM 495 C TYR T 33 2.372 -0.218 8.655 1.00 0.00 C ATOM 496 O TYR T 33 1.470 -1.046 8.535 1.00 0.00 O ATOM 497 CB TYR T 33 4.613 0.287 7.684 1.00 0.00 C ATOM 498 CG TYR T 33 5.103 -0.986 8.337 1.00 0.00 C ATOM 499 CD1 TYR T 33 5.055 -2.200 7.664 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.612 -0.973 9.631 1.00 0.00 C ATOM 501 CE1 TYR T 33 5.500 -3.365 8.261 1.00 0.00 C ATOM 502 CE2 TYR T 33 6.059 -2.132 10.233 1.00 0.00 C ATOM 503 CZ TYR T 33 6.001 -3.325 9.544 1.00 0.00 C ATOM 504 OH TYR T 33 6.445 -4.483 10.142 1.00 0.00 O ATOM 0 H TYR T 33 3.313 2.411 7.496 1.00 0.00 H new ATOM 0 HA TYR T 33 2.870 -0.292 6.573 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.128 0.414 6.732 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.890 1.134 8.312 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.664 -2.235 6.658 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.658 -0.041 10.174 1.00 0.00 H new ATOM 0 HE1 TYR T 33 5.455 -4.301 7.725 1.00 0.00 H new ATOM 0 HE2 TYR T 33 6.452 -2.105 11.239 1.00 0.00 H new ATOM 0 HH TYR T 33 6.768 -4.282 11.045 1.00 0.00 H new ATOM 514 N LYS T 34 2.768 0.262 9.826 1.00 0.00 N ATOM 515 CA LYS T 34 2.156 -0.163 11.076 1.00 0.00 C ATOM 516 C LYS T 34 0.636 -0.136 10.969 1.00 0.00 C ATOM 517 O LYS T 34 -0.050 -0.995 11.524 1.00 0.00 O ATOM 518 CB LYS T 34 2.613 0.735 12.227 1.00 0.00 C ATOM 519 CG LYS T 34 4.110 0.992 12.260 1.00 0.00 C ATOM 520 CD LYS T 34 4.478 2.017 13.319 1.00 0.00 C ATOM 521 CE LYS T 34 5.985 2.140 13.479 1.00 0.00 C ATOM 522 NZ LYS T 34 6.412 3.558 13.638 1.00 0.00 N ATOM 0 H LYS T 34 3.514 0.949 9.936 1.00 0.00 H new ATOM 0 HA LYS T 34 2.473 -1.186 11.278 1.00 0.00 H new ATOM 0 HB2 LYS T 34 2.093 1.690 12.156 1.00 0.00 H new ATOM 0 HB3 LYS T 34 2.313 0.278 13.170 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.636 0.058 12.458 1.00 0.00 H new ATOM 0 HG3 LYS T 34 4.441 1.343 11.283 1.00 0.00 H new ATOM 0 HD2 LYS T 34 4.060 2.987 13.049 1.00 0.00 H new ATOM 0 HD3 LYS T 34 4.032 1.732 14.272 1.00 0.00 H new ATOM 0 HE2 LYS T 34 6.306 1.564 14.347 1.00 0.00 H new ATOM 0 HE3 LYS T 34 6.479 1.707 12.609 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 7.446 3.599 13.744 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 6.128 4.102 12.798 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 5.961 3.964 14.483 1.00 0.00 H new ATOM 536 N GLN T 35 0.112 0.850 10.246 1.00 0.00 N ATOM 537 CA GLN T 35 -1.325 0.976 10.063 1.00 0.00 C ATOM 538 C GLN T 35 -1.860 -0.192 9.248 1.00 0.00 C ATOM 539 O GLN T 35 -2.779 -0.892 9.677 1.00 0.00 O ATOM 540 CB GLN T 35 -1.652 2.298 9.372 1.00 0.00 C ATOM 541 CG GLN T 35 -1.326 3.521 10.213 1.00 0.00 C ATOM 542 CD GLN T 35 -1.662 4.822 9.511 1.00 0.00 C ATOM 543 OE1 GLN T 35 -1.955 4.838 8.316 1.00 0.00 O ATOM 544 NE2 GLN T 35 -1.620 5.922 10.254 1.00 0.00 N ATOM 0 H GLN T 35 0.663 1.571 9.779 1.00 0.00 H new ATOM 0 HA GLN T 35 -1.805 0.963 11.042 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.099 2.355 8.434 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -2.712 2.314 9.119 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -1.876 3.468 11.153 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.265 3.512 10.464 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -1.372 5.861 11.241 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -1.836 6.828 9.837 1.00 0.00 H new ATOM 553 N LEU T 36 -1.271 -0.408 8.077 1.00 0.00 N ATOM 554 CA LEU T 36 -1.684 -1.506 7.215 1.00 0.00 C ATOM 555 C LEU T 36 -1.607 -2.821 7.977 1.00 0.00 C ATOM 556 O LEU T 36 -2.304 -3.784 7.654 1.00 0.00 O ATOM 557 CB LEU T 36 -0.807 -1.568 5.964 1.00 0.00 C ATOM 558 CG LEU T 36 -1.564 -1.694 4.640 1.00 0.00 C ATOM 559 CD1 LEU T 36 -2.037 -3.125 4.430 1.00 0.00 C ATOM 560 CD2 LEU T 36 -2.741 -0.731 4.604 1.00 0.00 C ATOM 0 H LEU T 36 -0.510 0.160 7.705 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.714 -1.335 6.903 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.191 -0.669 5.927 1.00 0.00 H new ATOM 0 HB3 LEU T 36 -0.128 -2.416 6.058 1.00 0.00 H new ATOM 0 HG LEU T 36 -0.884 -1.435 3.829 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -2.573 -3.196 3.484 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -1.176 -3.794 4.410 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -2.701 -3.412 5.246 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -3.267 -0.835 3.655 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.422 -0.959 5.424 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -2.378 0.292 4.707 1.00 0.00 H new ATOM 572 N GLU T 37 -0.760 -2.845 9.000 1.00 0.00 N ATOM 573 CA GLU T 37 -0.593 -4.031 9.828 1.00 0.00 C ATOM 574 C GLU T 37 -1.845 -4.277 10.654 1.00 0.00 C ATOM 575 O GLU T 37 -2.512 -5.299 10.505 1.00 0.00 O ATOM 576 CB GLU T 37 0.614 -3.865 10.752 1.00 0.00 C ATOM 577 CG GLU T 37 0.953 -5.122 11.534 1.00 0.00 C ATOM 578 CD GLU T 37 1.639 -4.822 12.853 1.00 0.00 C ATOM 579 OE1 GLU T 37 1.350 -3.761 13.445 1.00 0.00 O ATOM 580 OE2 GLU T 37 2.465 -5.649 13.292 1.00 0.00 O ATOM 0 H GLU T 37 -0.178 -2.054 9.275 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.425 -4.888 9.176 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.479 -3.571 10.158 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.417 -3.053 11.452 1.00 0.00 H new ATOM 0 HG2 GLU T 37 0.039 -5.685 11.724 1.00 0.00 H new ATOM 0 HG3 GLU T 37 1.599 -5.758 10.929 1.00 0.00 H new ATOM 587 N ALA T 38 -2.156 -3.325 11.524 1.00 0.00 N ATOM 588 CA ALA T 38 -3.328 -3.424 12.378 1.00 0.00 C ATOM 589 C ALA T 38 -4.599 -3.549 11.546 1.00 0.00 C ATOM 590 O ALA T 38 -5.666 -3.874 12.067 1.00 0.00 O ATOM 591 CB ALA T 38 -3.414 -2.221 13.305 1.00 0.00 C ATOM 0 H ALA T 38 -1.610 -2.474 11.656 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.231 -4.324 12.985 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.297 -2.311 13.937 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -2.522 -2.179 13.931 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -3.484 -1.309 12.712 1.00 0.00 H new ATOM 597 N ALA T 39 -4.473 -3.301 10.246 1.00 0.00 N ATOM 598 CA ALA T 39 -5.605 -3.400 9.335 1.00 0.00 C ATOM 599 C ALA T 39 -5.625 -4.771 8.684 1.00 0.00 C ATOM 600 O ALA T 39 -6.681 -5.303 8.346 1.00 0.00 O ATOM 601 CB ALA T 39 -5.530 -2.311 8.276 1.00 0.00 C ATOM 0 H ALA T 39 -3.596 -3.030 9.801 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.527 -3.265 9.901 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.383 -2.399 7.603 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -5.547 -1.333 8.758 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -4.606 -2.420 7.707 1.00 0.00 H new ATOM 607 N ARG T 40 -4.440 -5.340 8.526 1.00 0.00 N ATOM 608 CA ARG T 40 -4.286 -6.654 7.934 1.00 0.00 C ATOM 609 C ARG T 40 -4.743 -7.725 8.911 1.00 0.00 C ATOM 610 O ARG T 40 -5.280 -8.760 8.515 1.00 0.00 O ATOM 611 CB ARG T 40 -2.823 -6.876 7.569 1.00 0.00 C ATOM 612 CG ARG T 40 -2.493 -8.317 7.213 1.00 0.00 C ATOM 613 CD ARG T 40 -1.176 -8.761 7.828 1.00 0.00 C ATOM 614 NE ARG T 40 -1.333 -9.940 8.675 1.00 0.00 N ATOM 615 CZ ARG T 40 -0.428 -10.333 9.566 1.00 0.00 C ATOM 616 NH1 ARG T 40 0.694 -9.643 9.724 1.00 0.00 N ATOM 617 NH2 ARG T 40 -0.643 -11.415 10.300 1.00 0.00 N ATOM 0 H ARG T 40 -3.562 -4.903 8.805 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.899 -6.716 7.035 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.567 -6.235 6.725 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -2.198 -6.566 8.406 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -3.294 -8.970 7.559 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -2.442 -8.421 6.129 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -0.461 -8.978 7.034 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -0.759 -7.945 8.418 1.00 0.00 H new ATOM 0 HE ARG T 40 -2.185 -10.493 8.578 1.00 0.00 H new ATOM 0 HH11 ARG T 40 0.864 -8.809 9.161 1.00 0.00 H new ATOM 0 HH12 ARG T 40 1.387 -9.946 10.408 1.00 0.00 H new ATOM 0 HH21 ARG T 40 -1.504 -11.948 10.182 1.00 0.00 H new ATOM 0 HH22 ARG T 40 0.053 -11.715 10.983 1.00 0.00 H new ATOM 631 N LYS T 41 -4.519 -7.465 10.195 1.00 0.00 N ATOM 632 CA LYS T 41 -4.899 -8.403 11.239 1.00 0.00 C ATOM 633 C LYS T 41 -6.415 -8.481 11.391 1.00 0.00 C ATOM 634 O LYS T 41 -6.938 -9.425 11.983 1.00 0.00 O ATOM 635 CB LYS T 41 -4.260 -8.006 12.570 1.00 0.00 C ATOM 636 CG LYS T 41 -2.793 -7.632 12.450 1.00 0.00 C ATOM 637 CD LYS T 41 -2.064 -7.804 13.774 1.00 0.00 C ATOM 638 CE LYS T 41 -1.579 -6.470 14.318 1.00 0.00 C ATOM 639 NZ LYS T 41 -0.545 -6.646 15.375 1.00 0.00 N ATOM 0 H LYS T 41 -4.076 -6.612 10.535 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.536 -9.389 10.948 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -4.809 -7.163 12.990 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.360 -8.833 13.273 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.319 -8.252 11.689 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -2.706 -6.598 12.117 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -2.729 -8.274 14.499 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -1.215 -8.474 13.639 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -1.168 -5.873 13.504 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -2.424 -5.915 14.725 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 -0.240 -5.714 15.721 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 -0.944 -7.194 16.164 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 0.272 -7.153 14.980 1.00 0.00 H new ATOM 653 N ILE T 42 -7.117 -7.488 10.855 1.00 0.00 N ATOM 654 CA ILE T 42 -8.570 -7.457 10.937 1.00 0.00 C ATOM 655 C ILE T 42 -9.196 -8.210 9.769 1.00 0.00 C ATOM 656 O ILE T 42 -10.370 -8.578 9.811 1.00 0.00 O ATOM 657 CB ILE T 42 -9.093 -6.011 10.946 1.00 0.00 C ATOM 658 CG1 ILE T 42 -9.028 -5.422 9.538 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.287 -5.164 11.918 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.293 -4.704 9.120 1.00 0.00 C ATOM 0 H ILE T 42 -6.704 -6.697 10.361 1.00 0.00 H new ATOM 0 HA ILE T 42 -8.853 -7.943 11.871 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.132 -6.014 11.274 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.191 -4.726 9.483 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.824 -6.223 8.828 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -8.668 -4.143 11.914 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.374 -5.580 12.922 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.240 -5.161 11.616 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.172 -4.313 8.110 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -11.131 -5.401 9.142 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.488 -3.881 9.807 1.00 0.00 H new ATOM 672 N GLY T 43 -8.402 -8.433 8.727 1.00 0.00 N ATOM 673 CA GLY T 43 -8.890 -9.139 7.558 1.00 0.00 C ATOM 674 C GLY T 43 -8.485 -8.451 6.268 1.00 0.00 C ATOM 675 O GLY T 43 -8.985 -8.789 5.195 1.00 0.00 O ATOM 0 H GLY T 43 -7.428 -8.137 8.672 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -8.503 -10.158 7.562 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.977 -9.210 7.605 1.00 0.00 H new ATOM 679 N PHE T 44 -7.578 -7.485 6.371 1.00 0.00 N ATOM 680 CA PHE T 44 -7.111 -6.751 5.200 1.00 0.00 C ATOM 681 C PHE T 44 -6.016 -7.525 4.473 1.00 0.00 C ATOM 682 O PHE T 44 -5.000 -7.889 5.066 1.00 0.00 O ATOM 683 CB PHE T 44 -6.591 -5.372 5.613 1.00 0.00 C ATOM 684 CG PHE T 44 -6.574 -4.368 4.495 1.00 0.00 C ATOM 685 CD1 PHE T 44 -7.023 -4.706 3.229 1.00 0.00 C ATOM 686 CD2 PHE T 44 -6.107 -3.081 4.714 1.00 0.00 C ATOM 687 CE1 PHE T 44 -7.008 -3.782 2.203 1.00 0.00 C ATOM 688 CE2 PHE T 44 -6.089 -2.152 3.692 1.00 0.00 C ATOM 689 CZ PHE T 44 -6.541 -2.503 2.434 1.00 0.00 C ATOM 0 H PHE T 44 -7.153 -7.193 7.251 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.953 -6.626 4.519 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -7.211 -4.988 6.423 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -5.581 -5.479 6.008 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -7.389 -5.705 3.042 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -5.753 -2.802 5.695 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -7.361 -4.059 1.221 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -5.722 -1.153 3.876 1.00 0.00 H new ATOM 0 HZ PHE T 44 -6.529 -1.779 1.633 1.00 0.00 H new ATOM 699 N HIS T 45 -6.230 -7.774 3.185 1.00 0.00 N ATOM 700 CA HIS T 45 -5.264 -8.507 2.374 1.00 0.00 C ATOM 701 C HIS T 45 -5.301 -8.029 0.925 1.00 0.00 C ATOM 702 O HIS T 45 -6.360 -8.005 0.297 1.00 0.00 O ATOM 703 CB HIS T 45 -5.553 -10.010 2.438 1.00 0.00 C ATOM 704 CG HIS T 45 -4.577 -10.855 1.677 1.00 0.00 C ATOM 705 ND1 HIS T 45 -4.206 -12.120 2.079 1.00 0.00 N ATOM 706 CD2 HIS T 45 -3.898 -10.614 0.529 1.00 0.00 C ATOM 707 CE1 HIS T 45 -3.342 -12.620 1.215 1.00 0.00 C ATOM 708 NE2 HIS T 45 -3.140 -11.727 0.265 1.00 0.00 N ATOM 0 H HIS T 45 -7.065 -7.478 2.680 1.00 0.00 H new ATOM 0 HA HIS T 45 -4.268 -8.319 2.774 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.553 -10.325 3.482 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.555 -10.193 2.050 1.00 0.00 H new ATOM 0 HD1 HIS T 45 -4.546 -12.596 2.914 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -3.945 -9.714 -0.067 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -2.879 -13.594 1.276 1.00 0.00 H new ATOM 717 N VAL T 46 -4.139 -7.654 0.398 1.00 0.00 N ATOM 718 CA VAL T 46 -4.044 -7.182 -0.980 1.00 0.00 C ATOM 719 C VAL T 46 -2.709 -7.572 -1.607 1.00 0.00 C ATOM 720 O VAL T 46 -1.688 -6.927 -1.371 1.00 0.00 O ATOM 721 CB VAL T 46 -4.208 -5.652 -1.074 1.00 0.00 C ATOM 722 CG1 VAL T 46 -5.256 -5.293 -2.115 1.00 0.00 C ATOM 723 CG2 VAL T 46 -4.576 -5.059 0.278 1.00 0.00 C ATOM 0 H VAL T 46 -3.253 -7.668 0.902 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.857 -7.660 -1.526 1.00 0.00 H new ATOM 0 HB VAL T 46 -3.252 -5.227 -1.381 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -5.359 -4.209 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -4.949 -5.677 -3.088 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -6.212 -5.735 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -4.686 -3.979 0.184 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -5.516 -5.491 0.621 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -3.790 -5.282 0.999 1.00 0.00 H new ATOM 733 N CYS T 47 -2.727 -8.632 -2.410 1.00 0.00 N ATOM 734 CA CYS T 47 -1.519 -9.110 -3.076 1.00 0.00 C ATOM 735 C CYS T 47 -1.029 -8.098 -4.106 1.00 0.00 C ATOM 736 O CYS T 47 -1.281 -8.242 -5.302 1.00 0.00 O ATOM 737 CB CYS T 47 -1.786 -10.456 -3.753 1.00 0.00 C ATOM 738 SG CYS T 47 -0.284 -11.428 -4.094 1.00 0.00 S ATOM 0 H CYS T 47 -3.565 -9.176 -2.615 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.743 -9.237 -2.321 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -2.450 -11.044 -3.119 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -2.313 -10.281 -4.691 1.00 0.00 H new ATOM 743 N ALA T 48 -0.326 -7.073 -3.631 1.00 0.00 N ATOM 744 CA ALA T 48 0.204 -6.033 -4.506 1.00 0.00 C ATOM 745 C ALA T 48 0.881 -4.933 -3.695 1.00 0.00 C ATOM 746 O ALA T 48 0.285 -4.367 -2.780 1.00 0.00 O ATOM 747 CB ALA T 48 -0.907 -5.448 -5.366 1.00 0.00 C ATOM 0 H ALA T 48 -0.110 -6.941 -2.643 1.00 0.00 H new ATOM 0 HA ALA T 48 0.951 -6.485 -5.158 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.496 -4.673 -6.014 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -1.347 -6.236 -5.977 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.674 -5.015 -4.724 1.00 0.00 H new ATOM 753 N ALA T 49 2.131 -4.640 -4.037 1.00 0.00 N ATOM 754 CA ALA T 49 2.895 -3.611 -3.341 1.00 0.00 C ATOM 755 C ALA T 49 2.061 -2.352 -3.127 1.00 0.00 C ATOM 756 O ALA T 49 1.705 -1.661 -4.081 1.00 0.00 O ATOM 757 CB ALA T 49 4.160 -3.280 -4.118 1.00 0.00 C ATOM 0 H ALA T 49 2.637 -5.101 -4.793 1.00 0.00 H new ATOM 0 HA ALA T 49 3.171 -4.001 -2.361 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.722 -2.511 -3.588 1.00 0.00 H new ATOM 0 HB2 ALA T 49 4.773 -4.176 -4.213 1.00 0.00 H new ATOM 0 HB3 ALA T 49 3.893 -2.916 -5.110 1.00 0.00 H new ATOM 763 N GLY T 50 1.757 -2.057 -1.868 1.00 0.00 N ATOM 764 CA GLY T 50 0.972 -0.879 -1.552 1.00 0.00 C ATOM 765 C GLY T 50 1.778 0.181 -0.829 1.00 0.00 C ATOM 766 O GLY T 50 2.235 -0.035 0.294 1.00 0.00 O ATOM 0 H GLY T 50 2.040 -2.613 -1.061 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.568 -0.458 -2.473 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.122 -1.168 -0.934 1.00 0.00 H new ATOM 770 N TRP T 51 1.959 1.325 -1.479 1.00 0.00 N ATOM 771 CA TRP T 51 2.722 2.427 -0.904 1.00 0.00 C ATOM 772 C TRP T 51 2.283 2.734 0.525 1.00 0.00 C ATOM 773 O TRP T 51 1.253 2.249 0.992 1.00 0.00 O ATOM 774 CB TRP T 51 2.572 3.676 -1.769 1.00 0.00 C ATOM 775 CG TRP T 51 3.445 3.659 -2.982 1.00 0.00 C ATOM 776 CD1 TRP T 51 3.058 3.417 -4.268 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.857 3.889 -3.021 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.146 3.483 -5.106 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.262 3.772 -4.363 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.817 4.186 -2.049 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.587 3.939 -4.758 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.131 4.351 -2.442 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.506 4.227 -3.785 1.00 0.00 C ATOM 0 H TRP T 51 1.586 1.514 -2.409 1.00 0.00 H new ATOM 0 HA TRP T 51 3.768 2.123 -0.876 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.532 3.773 -2.079 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.809 4.556 -1.170 1.00 0.00 H new ATOM 0 HD1 TRP T 51 2.046 3.205 -4.581 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.126 3.340 -6.116 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.537 4.285 -1.011 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.879 3.845 -5.794 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.882 4.580 -1.700 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.542 4.361 -4.059 1.00 0.00 H new ATOM 794 N MET T 52 3.076 3.555 1.208 1.00 0.00 N ATOM 795 CA MET T 52 2.783 3.952 2.580 1.00 0.00 C ATOM 796 C MET T 52 3.571 5.204 2.954 1.00 0.00 C ATOM 797 O MET T 52 4.405 5.675 2.181 1.00 0.00 O ATOM 798 CB MET T 52 3.107 2.815 3.554 1.00 0.00 C ATOM 799 CG MET T 52 4.048 1.766 2.985 1.00 0.00 C ATOM 800 SD MET T 52 3.495 0.081 3.315 1.00 0.00 S ATOM 801 CE MET T 52 4.940 -0.595 4.127 1.00 0.00 C ATOM 0 H MET T 52 3.932 3.960 0.829 1.00 0.00 H new ATOM 0 HA MET T 52 1.718 4.174 2.649 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.552 3.237 4.455 1.00 0.00 H new ATOM 0 HB3 MET T 52 2.178 2.331 3.854 1.00 0.00 H new ATOM 0 HG2 MET T 52 4.138 1.910 1.908 1.00 0.00 H new ATOM 0 HG3 MET T 52 5.042 1.907 3.409 1.00 0.00 H new ATOM 0 HE1 MET T 52 4.628 -1.300 4.898 1.00 0.00 H new ATOM 0 HE2 MET T 52 5.562 -1.110 3.394 1.00 0.00 H new ATOM 0 HE3 MET T 52 5.512 0.213 4.584 1.00 0.00 H new ATOM 811 N ALA T 53 3.297 5.744 4.137 1.00 0.00 N ATOM 812 CA ALA T 53 3.977 6.947 4.605 1.00 0.00 C ATOM 813 C ALA T 53 5.494 6.804 4.514 1.00 0.00 C ATOM 814 O ALA T 53 6.014 5.705 4.322 1.00 0.00 O ATOM 815 CB ALA T 53 3.561 7.266 6.032 1.00 0.00 C ATOM 0 H ALA T 53 2.609 5.368 4.789 1.00 0.00 H new ATOM 0 HA ALA T 53 3.681 7.771 3.956 1.00 0.00 H new ATOM 0 HB1 ALA T 53 4.076 8.166 6.369 1.00 0.00 H new ATOM 0 HB2 ALA T 53 2.484 7.429 6.069 1.00 0.00 H new ATOM 0 HB3 ALA T 53 3.825 6.432 6.683 1.00 0.00 H new ATOM 821 N LYS T 54 6.195 7.928 4.658 1.00 0.00 N ATOM 822 CA LYS T 54 7.655 7.946 4.601 1.00 0.00 C ATOM 823 C LYS T 54 8.156 7.843 3.163 1.00 0.00 C ATOM 824 O LYS T 54 9.205 8.390 2.823 1.00 0.00 O ATOM 825 CB LYS T 54 8.239 6.808 5.439 1.00 0.00 C ATOM 826 CG LYS T 54 7.908 6.903 6.919 1.00 0.00 C ATOM 827 CD LYS T 54 8.937 7.728 7.675 1.00 0.00 C ATOM 828 CE LYS T 54 10.115 6.875 8.116 1.00 0.00 C ATOM 829 NZ LYS T 54 10.454 7.090 9.550 1.00 0.00 N ATOM 0 H LYS T 54 5.772 8.843 4.816 1.00 0.00 H new ATOM 0 HA LYS T 54 7.989 8.899 5.012 1.00 0.00 H new ATOM 0 HB2 LYS T 54 7.868 5.858 5.054 1.00 0.00 H new ATOM 0 HB3 LYS T 54 9.322 6.800 5.318 1.00 0.00 H new ATOM 0 HG2 LYS T 54 6.922 7.350 7.043 1.00 0.00 H new ATOM 0 HG3 LYS T 54 7.860 5.901 7.346 1.00 0.00 H new ATOM 0 HD2 LYS T 54 9.291 8.541 7.041 1.00 0.00 H new ATOM 0 HD3 LYS T 54 8.470 8.185 8.547 1.00 0.00 H new ATOM 0 HE2 LYS T 54 9.882 5.823 7.952 1.00 0.00 H new ATOM 0 HE3 LYS T 54 10.983 7.109 7.499 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 11.262 6.489 9.809 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 10.702 8.089 9.702 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 9.635 6.842 10.141 1.00 0.00 H new ATOM 843 N GLY T 55 7.404 7.141 2.322 1.00 0.00 N ATOM 844 CA GLY T 55 7.796 6.983 0.934 1.00 0.00 C ATOM 845 C GLY T 55 8.244 5.566 0.639 1.00 0.00 C ATOM 846 O GLY T 55 8.944 5.320 -0.342 1.00 0.00 O ATOM 0 H GLY T 55 6.531 6.679 2.577 1.00 0.00 H new ATOM 0 HA2 GLY T 55 6.958 7.243 0.287 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.604 7.677 0.702 1.00 0.00 H new ATOM 850 N ARG T 56 7.837 4.634 1.494 1.00 0.00 N ATOM 851 CA ARG T 56 8.196 3.233 1.326 1.00 0.00 C ATOM 852 C ARG T 56 6.981 2.415 0.907 1.00 0.00 C ATOM 853 O ARG T 56 5.841 2.806 1.157 1.00 0.00 O ATOM 854 CB ARG T 56 8.778 2.677 2.626 1.00 0.00 C ATOM 855 CG ARG T 56 7.734 2.430 3.703 1.00 0.00 C ATOM 856 CD ARG T 56 8.096 3.140 4.998 1.00 0.00 C ATOM 857 NE ARG T 56 8.963 2.327 5.846 1.00 0.00 N ATOM 858 CZ ARG T 56 8.778 2.170 7.153 1.00 0.00 C ATOM 859 NH1 ARG T 56 7.760 2.767 7.758 1.00 0.00 N ATOM 860 NH2 ARG T 56 9.611 1.415 7.857 1.00 0.00 N ATOM 0 H ARG T 56 7.257 4.825 2.311 1.00 0.00 H new ATOM 0 HA ARG T 56 8.950 3.163 0.542 1.00 0.00 H new ATOM 0 HB2 ARG T 56 9.295 1.742 2.412 1.00 0.00 H new ATOM 0 HB3 ARG T 56 9.524 3.374 3.008 1.00 0.00 H new ATOM 0 HG2 ARG T 56 6.761 2.777 3.355 1.00 0.00 H new ATOM 0 HG3 ARG T 56 7.644 1.359 3.886 1.00 0.00 H new ATOM 0 HD2 ARG T 56 8.594 4.082 4.768 1.00 0.00 H new ATOM 0 HD3 ARG T 56 7.185 3.387 5.543 1.00 0.00 H new ATOM 0 HE ARG T 56 9.755 1.853 5.411 1.00 0.00 H new ATOM 0 HH11 ARG T 56 7.117 3.348 7.220 1.00 0.00 H new ATOM 0 HH12 ARG T 56 7.620 2.645 8.761 1.00 0.00 H new ATOM 0 HH21 ARG T 56 10.395 0.954 7.396 1.00 0.00 H new ATOM 0 HH22 ARG T 56 9.467 1.296 8.860 1.00 0.00 H new ATOM 874 N VAL T 57 7.230 1.280 0.263 1.00 0.00 N ATOM 875 CA VAL T 57 6.155 0.410 -0.192 1.00 0.00 C ATOM 876 C VAL T 57 6.478 -1.053 0.090 1.00 0.00 C ATOM 877 O VAL T 57 7.583 -1.521 -0.190 1.00 0.00 O ATOM 878 CB VAL T 57 5.896 0.595 -1.699 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.173 1.007 -2.414 1.00 0.00 C ATOM 880 CG2 VAL T 57 5.316 -0.673 -2.310 1.00 0.00 C ATOM 0 H VAL T 57 8.167 0.942 0.045 1.00 0.00 H new ATOM 0 HA VAL T 57 5.257 0.688 0.360 1.00 0.00 H new ATOM 0 HB VAL T 57 5.163 1.392 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL T 57 6.970 1.133 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.535 1.948 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL T 57 7.931 0.236 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL T 57 5.142 -0.517 -3.375 1.00 0.00 H new ATOM 0 HG22 VAL T 57 6.017 -1.496 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL T 57 4.373 -0.915 -1.820 1.00 0.00 H new ATOM 890 N GLY T 58 5.508 -1.771 0.646 1.00 0.00 N ATOM 891 CA GLY T 58 5.708 -3.174 0.959 1.00 0.00 C ATOM 892 C GLY T 58 4.506 -4.022 0.594 1.00 0.00 C ATOM 893 O GLY T 58 3.563 -3.538 -0.030 1.00 0.00 O ATOM 0 H GLY T 58 4.586 -1.406 0.886 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.585 -3.542 0.426 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.915 -3.280 2.024 1.00 0.00 H new ATOM 897 N TYR T 59 4.541 -5.293 0.985 1.00 0.00 N ATOM 898 CA TYR T 59 3.444 -6.210 0.695 1.00 0.00 C ATOM 899 C TYR T 59 3.055 -7.004 1.939 1.00 0.00 C ATOM 900 O TYR T 59 3.736 -7.956 2.318 1.00 0.00 O ATOM 901 CB TYR T 59 3.834 -7.168 -0.434 1.00 0.00 C ATOM 902 CG TYR T 59 5.136 -6.802 -1.111 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.215 -5.705 -1.961 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.287 -7.553 -0.901 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.403 -5.368 -2.582 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.477 -7.222 -1.520 1.00 0.00 C ATOM 907 CZ TYR T 59 7.530 -6.130 -2.358 1.00 0.00 C ATOM 908 OH TYR T 59 8.714 -5.798 -2.975 1.00 0.00 O ATOM 0 H TYR T 59 5.315 -5.710 1.502 1.00 0.00 H new ATOM 0 HA TYR T 59 2.585 -5.619 0.379 1.00 0.00 H new ATOM 0 HB2 TYR T 59 3.914 -8.178 -0.032 1.00 0.00 H new ATOM 0 HB3 TYR T 59 3.038 -7.183 -1.178 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.334 -5.106 -2.139 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.250 -8.409 -0.243 1.00 0.00 H new ATOM 0 HE1 TYR T 59 6.448 -4.512 -3.239 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.362 -7.817 -1.348 1.00 0.00 H new ATOM 0 HH TYR T 59 9.462 -5.992 -2.373 1.00 0.00 H new ATOM 918 N PRO T 60 1.945 -6.617 2.590 1.00 0.00 N ATOM 919 CA PRO T 60 1.460 -7.295 3.799 1.00 0.00 C ATOM 920 C PRO T 60 1.136 -8.763 3.548 1.00 0.00 C ATOM 921 O PRO T 60 1.985 -9.635 3.734 1.00 0.00 O ATOM 922 CB PRO T 60 0.190 -6.519 4.172 1.00 0.00 C ATOM 923 CG PRO T 60 -0.192 -5.760 2.949 1.00 0.00 C ATOM 924 CD PRO T 60 1.079 -5.494 2.198 1.00 0.00 C ATOM 0 HA PRO T 60 2.212 -7.300 4.588 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.607 -7.197 4.477 1.00 0.00 H new ATOM 0 HB3 PRO T 60 0.374 -5.846 5.009 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -0.890 -6.333 2.339 1.00 0.00 H new ATOM 0 HG3 PRO T 60 -0.690 -4.827 3.212 1.00 0.00 H new ATOM 0 HD2 PRO T 60 0.913 -5.471 1.121 1.00 0.00 H new ATOM 0 HD3 PRO T 60 1.516 -4.534 2.473 1.00 0.00 H new ATOM 932 N ILE T 61 -0.098 -9.031 3.128 1.00 0.00 N ATOM 933 CA ILE T 61 -0.536 -10.395 2.853 1.00 0.00 C ATOM 934 C ILE T 61 -0.698 -11.188 4.143 1.00 0.00 C ATOM 935 O ILE T 61 0.285 -11.538 4.796 1.00 0.00 O ATOM 936 CB ILE T 61 0.457 -11.132 1.932 1.00 0.00 C ATOM 937 CG1 ILE T 61 0.799 -10.268 0.717 1.00 0.00 C ATOM 938 CG2 ILE T 61 -0.120 -12.468 1.492 1.00 0.00 C ATOM 939 CD1 ILE T 61 -0.404 -9.904 -0.124 1.00 0.00 C ATOM 0 H ILE T 61 -0.812 -8.320 2.971 1.00 0.00 H new ATOM 0 HA ILE T 61 -1.500 -10.322 2.349 1.00 0.00 H new ATOM 0 HB ILE T 61 1.374 -11.320 2.490 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.284 -9.353 1.057 1.00 0.00 H new ATOM 0 HG13 ILE T 61 1.520 -10.799 0.095 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.593 -12.976 0.842 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.317 -13.086 2.368 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -1.051 -12.301 0.949 1.00 0.00 H new ATOM 0 HD11 ILE T 61 -0.086 -9.291 -0.967 1.00 0.00 H new ATOM 0 HD12 ILE T 61 -0.878 -10.813 -0.494 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -1.116 -9.345 0.483 1.00 0.00 H new ATOM 951 N VAL T 62 -1.944 -11.469 4.507 1.00 0.00 N ATOM 952 CA VAL T 62 -2.233 -12.221 5.722 1.00 0.00 C ATOM 953 C VAL T 62 -1.603 -13.610 5.670 1.00 0.00 C ATOM 954 O VAL T 62 -0.643 -13.893 6.386 1.00 0.00 O ATOM 955 CB VAL T 62 -3.750 -12.367 5.949 1.00 0.00 C ATOM 956 CG1 VAL T 62 -4.031 -12.918 7.338 1.00 0.00 C ATOM 957 CG2 VAL T 62 -4.453 -11.034 5.742 1.00 0.00 C ATOM 0 H VAL T 62 -2.770 -11.188 3.978 1.00 0.00 H new ATOM 0 HA VAL T 62 -1.803 -11.658 6.551 1.00 0.00 H new ATOM 0 HB VAL T 62 -4.142 -13.074 5.217 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -5.107 -13.014 7.480 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -3.562 -13.896 7.443 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -3.625 -12.239 8.088 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -5.523 -11.158 5.907 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -4.060 -10.302 6.447 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -4.281 -10.686 4.724 1.00 0.00 H new ATOM 967 N LYS T 63 -2.151 -14.471 4.819 1.00 0.00 N ATOM 968 CA LYS T 63 -1.643 -15.830 4.673 1.00 0.00 C ATOM 969 C LYS T 63 -0.783 -15.958 3.419 1.00 0.00 C ATOM 970 O LYS T 63 -0.941 -15.195 2.466 1.00 0.00 O ATOM 971 CB LYS T 63 -2.802 -16.826 4.614 1.00 0.00 C ATOM 972 CG LYS T 63 -3.177 -17.411 5.966 1.00 0.00 C ATOM 973 CD LYS T 63 -3.862 -18.760 5.817 1.00 0.00 C ATOM 974 CE LYS T 63 -4.245 -19.352 7.164 1.00 0.00 C ATOM 975 NZ LYS T 63 -5.721 -19.449 7.336 1.00 0.00 N ATOM 0 H LYS T 63 -2.947 -14.252 4.220 1.00 0.00 H new ATOM 0 HA LYS T 63 -1.023 -16.055 5.541 1.00 0.00 H new ATOM 0 HB2 LYS T 63 -3.674 -16.330 4.189 1.00 0.00 H new ATOM 0 HB3 LYS T 63 -2.537 -17.639 3.938 1.00 0.00 H new ATOM 0 HG2 LYS T 63 -2.281 -17.522 6.577 1.00 0.00 H new ATOM 0 HG3 LYS T 63 -3.838 -16.722 6.491 1.00 0.00 H new ATOM 0 HD2 LYS T 63 -4.755 -18.648 5.202 1.00 0.00 H new ATOM 0 HD3 LYS T 63 -3.199 -19.448 5.293 1.00 0.00 H new ATOM 0 HE2 LYS T 63 -3.803 -20.344 7.262 1.00 0.00 H new ATOM 0 HE3 LYS T 63 -3.828 -18.737 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS T 63 -5.936 -19.858 8.268 1.00 0.00 H new ATOM 0 HZ2 LYS T 63 -6.141 -18.500 7.269 1.00 0.00 H new ATOM 0 HZ3 LYS T 63 -6.118 -20.057 6.591 1.00 0.00 H new ATOM 989 N PRO T 64 0.142 -16.930 3.406 1.00 0.00 N ATOM 990 CA PRO T 64 1.032 -17.160 2.263 1.00 0.00 C ATOM 991 C PRO T 64 0.268 -17.289 0.950 1.00 0.00 C ATOM 992 O PRO T 64 -0.832 -17.839 0.912 1.00 0.00 O ATOM 993 CB PRO T 64 1.726 -18.478 2.610 1.00 0.00 C ATOM 994 CG PRO T 64 1.657 -18.576 4.093 1.00 0.00 C ATOM 995 CD PRO T 64 0.388 -17.882 4.507 1.00 0.00 C ATOM 0 HA PRO T 64 1.721 -16.329 2.110 1.00 0.00 H new ATOM 0 HB2 PRO T 64 1.227 -19.323 2.136 1.00 0.00 H new ATOM 0 HB3 PRO T 64 2.759 -18.483 2.263 1.00 0.00 H new ATOM 0 HG2 PRO T 64 1.652 -19.618 4.413 1.00 0.00 H new ATOM 0 HG3 PRO T 64 2.525 -18.105 4.554 1.00 0.00 H new ATOM 0 HD2 PRO T 64 -0.436 -18.586 4.621 1.00 0.00 H new ATOM 0 HD3 PRO T 64 0.504 -17.370 5.462 1.00 0.00 H new ATOM 1003 N GLY T 65 0.859 -16.779 -0.125 1.00 0.00 N ATOM 1004 CA GLY T 65 0.220 -16.846 -1.427 1.00 0.00 C ATOM 1005 C GLY T 65 0.722 -18.011 -2.257 1.00 0.00 C ATOM 1006 O GLY T 65 1.914 -18.321 -2.242 1.00 0.00 O ATOM 0 H GLY T 65 1.770 -16.320 -0.118 1.00 0.00 H new ATOM 0 HA2 GLY T 65 -0.858 -16.935 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY T 65 0.400 -15.915 -1.965 1.00 0.00 H new ATOM 1010 N PRO T 66 -0.173 -18.682 -2.998 1.00 0.00 N ATOM 1011 CA PRO T 66 0.194 -19.825 -3.840 1.00 0.00 C ATOM 1012 C PRO T 66 1.049 -19.414 -5.035 1.00 0.00 C ATOM 1013 O PRO T 66 2.268 -19.586 -5.027 1.00 0.00 O ATOM 1014 CB PRO T 66 -1.158 -20.370 -4.310 1.00 0.00 C ATOM 1015 CG PRO T 66 -2.087 -19.209 -4.231 1.00 0.00 C ATOM 1016 CD PRO T 66 -1.614 -18.377 -3.072 1.00 0.00 C ATOM 0 HA PRO T 66 0.796 -20.554 -3.298 1.00 0.00 H new ATOM 0 HB2 PRO T 66 -1.096 -20.758 -5.327 1.00 0.00 H new ATOM 0 HB3 PRO T 66 -1.495 -21.190 -3.676 1.00 0.00 H new ATOM 0 HG2 PRO T 66 -2.071 -18.633 -5.156 1.00 0.00 H new ATOM 0 HG3 PRO T 66 -3.114 -19.541 -4.079 1.00 0.00 H new ATOM 0 HD2 PRO T 66 -1.792 -17.315 -3.241 1.00 0.00 H new ATOM 0 HD3 PRO T 66 -2.129 -18.644 -2.149 1.00 0.00 H new ATOM 1024 N ASN T 67 0.403 -18.869 -6.061 1.00 0.00 N ATOM 1025 CA ASN T 67 1.106 -18.434 -7.263 1.00 0.00 C ATOM 1026 C ASN T 67 1.335 -16.926 -7.243 1.00 0.00 C ATOM 1027 O ASN T 67 1.946 -16.370 -8.156 1.00 0.00 O ATOM 1028 CB ASN T 67 0.315 -18.825 -8.512 1.00 0.00 C ATOM 1029 CG ASN T 67 -1.155 -19.053 -8.221 1.00 0.00 C ATOM 1030 OD1 ASN T 67 -1.693 -20.129 -8.483 1.00 0.00 O ATOM 1031 ND2 ASN T 67 -1.815 -18.037 -7.677 1.00 0.00 N ATOM 0 H ASN T 67 -0.606 -18.718 -6.084 1.00 0.00 H new ATOM 0 HA ASN T 67 2.076 -18.931 -7.286 1.00 0.00 H new ATOM 0 HB2 ASN T 67 0.416 -18.041 -9.262 1.00 0.00 H new ATOM 0 HB3 ASN T 67 0.742 -19.732 -8.939 1.00 0.00 H new ATOM 0 HD21 ASN T 67 -2.807 -18.131 -7.460 1.00 0.00 H new ATOM 0 HD22 ASN T 67 -1.330 -17.163 -7.476 1.00 0.00 H new ATOM 1038 N CYS T 68 0.841 -16.271 -6.197 1.00 0.00 N ATOM 1039 CA CYS T 68 0.992 -14.827 -6.059 1.00 0.00 C ATOM 1040 C CYS T 68 2.462 -14.445 -5.915 1.00 0.00 C ATOM 1041 O CYS T 68 2.840 -13.295 -6.140 1.00 0.00 O ATOM 1042 CB CYS T 68 0.203 -14.325 -4.849 1.00 0.00 C ATOM 1043 SG CYS T 68 -0.955 -12.970 -5.229 1.00 0.00 S ATOM 0 H CYS T 68 0.333 -16.717 -5.433 1.00 0.00 H new ATOM 0 HA CYS T 68 0.600 -14.358 -6.961 1.00 0.00 H new ATOM 0 HB2 CYS T 68 -0.356 -15.158 -4.422 1.00 0.00 H new ATOM 0 HB3 CYS T 68 0.904 -13.987 -4.086 1.00 0.00 H new ATOM 1048 N GLY T 69 3.287 -15.417 -5.538 1.00 0.00 N ATOM 1049 CA GLY T 69 4.706 -15.162 -5.372 1.00 0.00 C ATOM 1050 C GLY T 69 5.120 -15.192 -3.914 1.00 0.00 C ATOM 1051 O GLY T 69 5.984 -14.423 -3.493 1.00 0.00 O ATOM 0 H GLY T 69 2.998 -16.376 -5.345 1.00 0.00 H new ATOM 0 HA2 GLY T 69 5.276 -15.908 -5.926 1.00 0.00 H new ATOM 0 HA3 GLY T 69 4.952 -14.190 -5.799 1.00 0.00 H new ATOM 1055 N PHE T 70 4.504 -16.081 -3.143 1.00 0.00 N ATOM 1056 CA PHE T 70 4.814 -16.209 -1.722 1.00 0.00 C ATOM 1057 C PHE T 70 4.576 -14.889 -0.994 1.00 0.00 C ATOM 1058 O PHE T 70 5.440 -14.013 -0.975 1.00 0.00 O ATOM 1059 CB PHE T 70 6.265 -16.656 -1.534 1.00 0.00 C ATOM 1060 CG PHE T 70 6.476 -18.132 -1.725 1.00 0.00 C ATOM 1061 CD1 PHE T 70 6.095 -19.032 -0.743 1.00 0.00 C ATOM 1062 CD2 PHE T 70 7.053 -18.618 -2.887 1.00 0.00 C ATOM 1063 CE1 PHE T 70 6.288 -20.389 -0.915 1.00 0.00 C ATOM 1064 CE2 PHE T 70 7.247 -19.974 -3.065 1.00 0.00 C ATOM 1065 CZ PHE T 70 6.863 -20.861 -2.078 1.00 0.00 C ATOM 0 H PHE T 70 3.787 -16.724 -3.477 1.00 0.00 H new ATOM 0 HA PHE T 70 4.152 -16.963 -1.296 1.00 0.00 H new ATOM 0 HB2 PHE T 70 6.896 -16.114 -2.238 1.00 0.00 H new ATOM 0 HB3 PHE T 70 6.594 -16.378 -0.533 1.00 0.00 H new ATOM 0 HD1 PHE T 70 5.642 -18.668 0.167 1.00 0.00 H new ATOM 0 HD2 PHE T 70 7.354 -17.929 -3.662 1.00 0.00 H new ATOM 0 HE1 PHE T 70 5.989 -21.080 -0.141 1.00 0.00 H new ATOM 0 HE2 PHE T 70 7.699 -20.340 -3.975 1.00 0.00 H new ATOM 0 HZ PHE T 70 7.012 -21.922 -2.216 1.00 0.00 H new ATOM 1075 N GLY T 71 3.396 -14.755 -0.396 1.00 0.00 N ATOM 1076 CA GLY T 71 3.062 -13.540 0.324 1.00 0.00 C ATOM 1077 C GLY T 71 3.779 -13.465 1.658 1.00 0.00 C ATOM 1078 O GLY T 71 3.555 -12.538 2.437 1.00 0.00 O ATOM 0 H GLY T 71 2.665 -15.467 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY T 71 3.328 -12.673 -0.281 1.00 0.00 H new ATOM 0 HA3 GLY T 71 1.985 -13.497 0.487 1.00 0.00 H new ATOM 1082 N LYS T 72 4.648 -14.439 1.918 1.00 0.00 N ATOM 1083 CA LYS T 72 5.409 -14.483 3.159 1.00 0.00 C ATOM 1084 C LYS T 72 4.548 -14.101 4.359 1.00 0.00 C ATOM 1085 O LYS T 72 3.320 -14.068 4.274 1.00 0.00 O ATOM 1086 CB LYS T 72 6.614 -13.553 3.059 1.00 0.00 C ATOM 1087 CG LYS T 72 7.940 -14.255 3.294 1.00 0.00 C ATOM 1088 CD LYS T 72 9.113 -13.306 3.109 1.00 0.00 C ATOM 1089 CE LYS T 72 9.295 -12.917 1.651 1.00 0.00 C ATOM 1090 NZ LYS T 72 10.348 -13.737 0.987 1.00 0.00 N ATOM 0 H LYS T 72 4.842 -15.211 1.280 1.00 0.00 H new ATOM 0 HA LYS T 72 5.751 -15.507 3.310 1.00 0.00 H new ATOM 0 HB2 LYS T 72 6.626 -13.091 2.072 1.00 0.00 H new ATOM 0 HB3 LYS T 72 6.504 -12.748 3.786 1.00 0.00 H new ATOM 0 HG2 LYS T 72 7.960 -14.668 4.302 1.00 0.00 H new ATOM 0 HG3 LYS T 72 8.036 -15.093 2.604 1.00 0.00 H new ATOM 0 HD2 LYS T 72 8.954 -12.409 3.708 1.00 0.00 H new ATOM 0 HD3 LYS T 72 10.024 -13.777 3.477 1.00 0.00 H new ATOM 0 HE2 LYS T 72 8.350 -13.040 1.121 1.00 0.00 H new ATOM 0 HE3 LYS T 72 9.561 -11.862 1.587 1.00 0.00 H new ATOM 0 HZ1 LYS T 72 10.443 -13.442 -0.006 1.00 0.00 H new ATOM 0 HZ2 LYS T 72 11.255 -13.600 1.477 1.00 0.00 H new ATOM 0 HZ3 LYS T 72 10.082 -14.742 1.026 1.00 0.00 H new ATOM 1104 N THR T 73 5.205 -13.819 5.476 1.00 0.00 N ATOM 1105 CA THR T 73 4.509 -13.443 6.700 1.00 0.00 C ATOM 1106 C THR T 73 4.797 -11.993 7.074 1.00 0.00 C ATOM 1107 O THR T 73 5.954 -11.574 7.133 1.00 0.00 O ATOM 1108 CB THR T 73 4.910 -14.353 7.875 1.00 0.00 C ATOM 1109 OG1 THR T 73 6.192 -14.942 7.626 1.00 0.00 O ATOM 1110 CG2 THR T 73 3.876 -15.449 8.087 1.00 0.00 C ATOM 0 H THR T 73 6.221 -13.843 5.560 1.00 0.00 H new ATOM 0 HA THR T 73 3.443 -13.560 6.506 1.00 0.00 H new ATOM 0 HB THR T 73 4.961 -13.742 8.777 1.00 0.00 H new ATOM 0 HG1 THR T 73 6.439 -15.518 8.379 1.00 0.00 H new ATOM 0 HG21 THR T 73 4.180 -16.080 8.922 1.00 0.00 H new ATOM 0 HG22 THR T 73 2.908 -14.998 8.306 1.00 0.00 H new ATOM 0 HG23 THR T 73 3.798 -16.055 7.184 1.00 0.00 H new ATOM 1118 N GLY T 74 3.738 -11.230 7.324 1.00 0.00 N ATOM 1119 CA GLY T 74 3.897 -9.833 7.688 1.00 0.00 C ATOM 1120 C GLY T 74 4.062 -8.947 6.469 1.00 0.00 C ATOM 1121 O GLY T 74 4.107 -9.438 5.341 1.00 0.00 O ATOM 0 H GLY T 74 2.772 -11.554 7.281 1.00 0.00 H new ATOM 0 HA2 GLY T 74 3.029 -9.506 8.260 1.00 0.00 H new ATOM 0 HA3 GLY T 74 4.766 -9.723 8.337 1.00 0.00 H new ATOM 1125 N ILE T 75 4.151 -7.640 6.693 1.00 0.00 N ATOM 1126 CA ILE T 75 4.311 -6.692 5.597 1.00 0.00 C ATOM 1127 C ILE T 75 5.741 -6.689 5.074 1.00 0.00 C ATOM 1128 O ILE T 75 6.659 -6.206 5.738 1.00 0.00 O ATOM 1129 CB ILE T 75 3.929 -5.262 6.019 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.496 -5.234 6.554 1.00 0.00 C ATOM 1131 CG2 ILE T 75 4.087 -4.306 4.843 1.00 0.00 C ATOM 1132 CD1 ILE T 75 1.802 -3.900 6.381 1.00 0.00 C ATOM 0 H ILE T 75 4.115 -7.215 7.619 1.00 0.00 H new ATOM 0 HA ILE T 75 3.637 -7.018 4.805 1.00 0.00 H new ATOM 0 HB ILE T 75 4.598 -4.938 6.816 1.00 0.00 H new ATOM 0 HG12 ILE T 75 1.914 -6.003 6.047 1.00 0.00 H new ATOM 0 HG13 ILE T 75 2.509 -5.491 7.613 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.814 -3.298 5.154 1.00 0.00 H new ATOM 0 HG22 ILE T 75 5.123 -4.313 4.505 1.00 0.00 H new ATOM 0 HG23 ILE T 75 3.437 -4.622 4.027 1.00 0.00 H new ATOM 0 HD11 ILE T 75 0.791 -3.961 6.785 1.00 0.00 H new ATOM 0 HD12 ILE T 75 2.359 -3.128 6.912 1.00 0.00 H new ATOM 0 HD13 ILE T 75 1.755 -3.649 5.321 1.00 0.00 H new ATOM 1144 N ILE T 76 5.919 -7.233 3.877 1.00 0.00 N ATOM 1145 CA ILE T 76 7.232 -7.299 3.251 1.00 0.00 C ATOM 1146 C ILE T 76 7.609 -5.959 2.632 1.00 0.00 C ATOM 1147 O ILE T 76 7.435 -5.746 1.431 1.00 0.00 O ATOM 1148 CB ILE T 76 7.277 -8.387 2.163 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.477 -9.614 2.608 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.715 -8.766 1.850 1.00 0.00 C ATOM 1151 CD1 ILE T 76 6.883 -10.145 3.966 1.00 0.00 C ATOM 0 H ILE T 76 5.167 -7.636 3.319 1.00 0.00 H new ATOM 0 HA ILE T 76 7.948 -7.549 4.034 1.00 0.00 H new ATOM 0 HB ILE T 76 6.824 -7.992 1.254 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.418 -9.358 2.630 1.00 0.00 H new ATOM 0 HG13 ILE T 76 6.599 -10.404 1.867 1.00 0.00 H new ATOM 0 HG21 ILE T 76 8.729 -9.536 1.079 1.00 0.00 H new ATOM 0 HG22 ILE T 76 9.254 -7.888 1.495 1.00 0.00 H new ATOM 0 HG23 ILE T 76 9.195 -9.146 2.751 1.00 0.00 H new ATOM 0 HD11 ILE T 76 6.273 -11.014 4.214 1.00 0.00 H new ATOM 0 HD12 ILE T 76 7.934 -10.433 3.945 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.735 -9.371 4.719 1.00 0.00 H new ATOM 1163 N ASP T 77 8.125 -5.057 3.459 1.00 0.00 N ATOM 1164 CA ASP T 77 8.526 -3.735 2.995 1.00 0.00 C ATOM 1165 C ASP T 77 10.043 -3.585 3.023 1.00 0.00 C ATOM 1166 O ASP T 77 10.673 -3.733 4.070 1.00 0.00 O ATOM 1167 CB ASP T 77 7.876 -2.653 3.861 1.00 0.00 C ATOM 1168 CG ASP T 77 8.609 -1.328 3.786 1.00 0.00 C ATOM 1169 OD1 ASP T 77 8.588 -0.698 2.708 1.00 0.00 O ATOM 1170 OD2 ASP T 77 9.205 -0.921 4.805 1.00 0.00 O ATOM 0 H ASP T 77 8.275 -5.218 4.455 1.00 0.00 H new ATOM 0 HA ASP T 77 8.189 -3.619 1.965 1.00 0.00 H new ATOM 0 HB2 ASP T 77 6.843 -2.511 3.544 1.00 0.00 H new ATOM 0 HB3 ASP T 77 7.848 -2.990 4.897 1.00 0.00 H new ATOM 1175 N TYR T 78 10.622 -3.293 1.864 1.00 0.00 N ATOM 1176 CA TYR T 78 12.066 -3.125 1.751 1.00 0.00 C ATOM 1177 C TYR T 78 12.481 -1.710 2.140 1.00 0.00 C ATOM 1178 O TYR T 78 13.618 -1.300 1.908 1.00 0.00 O ATOM 1179 CB TYR T 78 12.524 -3.433 0.324 1.00 0.00 C ATOM 1180 CG TYR T 78 12.257 -4.859 -0.104 1.00 0.00 C ATOM 1181 CD1 TYR T 78 10.968 -5.378 -0.092 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.293 -5.685 -0.520 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.720 -6.681 -0.480 1.00 0.00 C ATOM 1184 CE2 TYR T 78 13.053 -6.989 -0.912 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.765 -7.482 -0.890 1.00 0.00 C ATOM 1186 OH TYR T 78 11.522 -8.779 -1.278 1.00 0.00 O ATOM 0 H TYR T 78 10.113 -3.168 0.989 1.00 0.00 H new ATOM 0 HA TYR T 78 12.545 -3.824 2.437 1.00 0.00 H new ATOM 0 HB2 TYR T 78 12.019 -2.755 -0.365 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.592 -3.232 0.243 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.147 -4.753 0.226 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.303 -5.302 -0.538 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.713 -7.070 -0.462 1.00 0.00 H new ATOM 0 HE2 TYR T 78 13.870 -7.618 -1.234 1.00 0.00 H new ATOM 0 HH TYR T 78 12.365 -9.206 -1.538 1.00 0.00 H new ATOM 1196 N GLY T 79 11.551 -0.969 2.735 1.00 0.00 N ATOM 1197 CA GLY T 79 11.839 0.392 3.151 1.00 0.00 C ATOM 1198 C GLY T 79 12.006 1.307 1.954 1.00 0.00 C ATOM 1199 O GLY T 79 12.065 0.847 0.814 1.00 0.00 O ATOM 0 H GLY T 79 10.603 -1.287 2.937 1.00 0.00 H new ATOM 0 HA2 GLY T 79 11.032 0.760 3.784 1.00 0.00 H new ATOM 0 HA3 GLY T 79 12.748 0.407 3.753 1.00 0.00 H new ATOM 1203 N ILE T 80 12.083 2.608 2.215 1.00 0.00 N ATOM 1204 CA ILE T 80 12.245 3.593 1.152 1.00 0.00 C ATOM 1205 C ILE T 80 13.534 3.354 0.375 1.00 0.00 C ATOM 1206 O ILE T 80 14.630 3.444 0.928 1.00 0.00 O ATOM 1207 CB ILE T 80 12.257 5.028 1.713 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.085 5.232 2.675 1.00 0.00 C ATOM 1209 CG2 ILE T 80 12.202 6.041 0.579 1.00 0.00 C ATOM 1210 CD1 ILE T 80 11.343 6.283 3.734 1.00 0.00 C ATOM 0 H ILE T 80 12.036 3.005 3.154 1.00 0.00 H new ATOM 0 HA ILE T 80 11.392 3.479 0.482 1.00 0.00 H new ATOM 0 HB ILE T 80 13.185 5.180 2.264 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.202 5.515 2.103 1.00 0.00 H new ATOM 0 HG13 ILE T 80 10.858 4.284 3.164 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.211 7.050 0.992 1.00 0.00 H new ATOM 0 HG22 ILE T 80 13.067 5.907 -0.071 1.00 0.00 H new ATOM 0 HG23 ILE T 80 11.289 5.893 0.003 1.00 0.00 H new ATOM 0 HD11 ILE T 80 10.469 6.372 4.379 1.00 0.00 H new ATOM 0 HD12 ILE T 80 12.207 5.992 4.332 1.00 0.00 H new ATOM 0 HD13 ILE T 80 11.540 7.242 3.255 1.00 0.00 H new ATOM 1222 N ARG T 81 13.396 3.049 -0.911 1.00 0.00 N ATOM 1223 CA ARG T 81 14.552 2.797 -1.765 1.00 0.00 C ATOM 1224 C ARG T 81 14.852 4.007 -2.642 1.00 0.00 C ATOM 1225 O ARG T 81 15.535 3.893 -3.661 1.00 0.00 O ATOM 1226 CB ARG T 81 14.307 1.566 -2.640 1.00 0.00 C ATOM 1227 CG ARG T 81 14.447 0.250 -1.890 1.00 0.00 C ATOM 1228 CD ARG T 81 15.675 -0.522 -2.343 1.00 0.00 C ATOM 1229 NE ARG T 81 16.385 -1.127 -1.219 1.00 0.00 N ATOM 1230 CZ ARG T 81 17.057 -2.270 -1.302 1.00 0.00 C ATOM 1231 NH1 ARG T 81 17.109 -2.929 -2.451 1.00 0.00 N ATOM 1232 NH2 ARG T 81 17.677 -2.756 -0.236 1.00 0.00 N ATOM 0 H ARG T 81 12.496 2.970 -1.385 1.00 0.00 H new ATOM 0 HA ARG T 81 15.414 2.612 -1.124 1.00 0.00 H new ATOM 0 HB2 ARG T 81 13.306 1.627 -3.067 1.00 0.00 H new ATOM 0 HB3 ARG T 81 15.010 1.577 -3.473 1.00 0.00 H new ATOM 0 HG2 ARG T 81 14.513 0.445 -0.820 1.00 0.00 H new ATOM 0 HG3 ARG T 81 13.556 -0.357 -2.049 1.00 0.00 H new ATOM 0 HD2 ARG T 81 15.376 -1.301 -3.044 1.00 0.00 H new ATOM 0 HD3 ARG T 81 16.348 0.148 -2.879 1.00 0.00 H new ATOM 0 HE ARG T 81 16.364 -0.645 -0.320 1.00 0.00 H new ATOM 0 HH11 ARG T 81 16.633 -2.559 -3.273 1.00 0.00 H new ATOM 0 HH12 ARG T 81 17.625 -3.806 -2.513 1.00 0.00 H new ATOM 0 HH21 ARG T 81 17.639 -2.252 0.650 1.00 0.00 H new ATOM 0 HH22 ARG T 81 18.192 -3.634 -0.302 1.00 0.00 H new ATOM 1246 N LEU T 82 14.338 5.165 -2.241 1.00 0.00 N ATOM 1247 CA LEU T 82 14.549 6.397 -2.991 1.00 0.00 C ATOM 1248 C LEU T 82 14.137 6.223 -4.449 1.00 0.00 C ATOM 1249 O LEU T 82 14.754 6.788 -5.352 1.00 0.00 O ATOM 1250 CB LEU T 82 16.016 6.823 -2.910 1.00 0.00 C ATOM 1251 CG LEU T 82 16.260 8.320 -2.705 1.00 0.00 C ATOM 1252 CD1 LEU T 82 15.575 9.129 -3.796 1.00 0.00 C ATOM 1253 CD2 LEU T 82 15.774 8.758 -1.332 1.00 0.00 C ATOM 0 H LEU T 82 13.772 5.276 -1.400 1.00 0.00 H new ATOM 0 HA LEU T 82 13.927 7.175 -2.547 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.488 6.281 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.517 6.514 -3.828 1.00 0.00 H new ATOM 0 HG LEU T 82 17.333 8.503 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU T 82 15.760 10.191 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU T 82 15.971 8.837 -4.769 1.00 0.00 H new ATOM 0 HD13 LEU T 82 14.502 8.940 -3.770 1.00 0.00 H new ATOM 0 HD21 LEU T 82 15.956 9.825 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU T 82 14.706 8.559 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU T 82 16.311 8.204 -0.562 1.00 0.00 H new ATOM 1265 N ASN T 83 13.089 5.437 -4.672 1.00 0.00 N ATOM 1266 CA ASN T 83 12.594 5.189 -6.021 1.00 0.00 C ATOM 1267 C ASN T 83 11.089 5.420 -6.100 1.00 0.00 C ATOM 1268 O ASN T 83 10.340 4.554 -6.549 1.00 0.00 O ATOM 1269 CB ASN T 83 12.926 3.758 -6.453 1.00 0.00 C ATOM 1270 CG ASN T 83 13.776 3.719 -7.707 1.00 0.00 C ATOM 1271 OD1 ASN T 83 14.936 3.305 -7.672 1.00 0.00 O ATOM 1272 ND2 ASN T 83 13.204 4.152 -8.825 1.00 0.00 N ATOM 0 H ASN T 83 12.566 4.961 -3.937 1.00 0.00 H new ATOM 0 HA ASN T 83 13.086 5.889 -6.696 1.00 0.00 H new ATOM 0 HB2 ASN T 83 13.451 3.249 -5.645 1.00 0.00 H new ATOM 0 HB3 ASN T 83 12.000 3.209 -6.627 1.00 0.00 H new ATOM 0 HD21 ASN T 83 13.728 4.150 -9.700 1.00 0.00 H new ATOM 0 HD22 ASN T 83 12.241 4.486 -8.809 1.00 0.00 H new ATOM 1279 N ARG T 84 10.653 6.596 -5.659 1.00 0.00 N ATOM 1280 CA ARG T 84 9.241 6.946 -5.679 1.00 0.00 C ATOM 1281 C ARG T 84 8.697 6.939 -7.103 1.00 0.00 C ATOM 1282 O ARG T 84 7.498 7.109 -7.320 1.00 0.00 O ATOM 1283 CB ARG T 84 9.037 8.322 -5.048 1.00 0.00 C ATOM 1284 CG ARG T 84 9.687 8.467 -3.682 1.00 0.00 C ATOM 1285 CD ARG T 84 10.266 9.858 -3.481 1.00 0.00 C ATOM 1286 NE ARG T 84 10.762 10.053 -2.122 1.00 0.00 N ATOM 1287 CZ ARG T 84 11.105 11.238 -1.625 1.00 0.00 C ATOM 1288 NH1 ARG T 84 11.008 12.329 -2.375 1.00 0.00 N ATOM 1289 NH2 ARG T 84 11.546 11.336 -0.378 1.00 0.00 N ATOM 0 H ARG T 84 11.261 7.323 -5.283 1.00 0.00 H new ATOM 0 HA ARG T 84 8.695 6.200 -5.102 1.00 0.00 H new ATOM 0 HB2 ARG T 84 9.441 9.082 -5.716 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.968 8.515 -4.955 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.950 8.263 -2.905 1.00 0.00 H new ATOM 0 HG3 ARG T 84 10.478 7.724 -3.574 1.00 0.00 H new ATOM 0 HD2 ARG T 84 11.078 10.018 -4.190 1.00 0.00 H new ATOM 0 HD3 ARG T 84 9.501 10.604 -3.698 1.00 0.00 H new ATOM 0 HE ARG T 84 10.850 9.235 -1.520 1.00 0.00 H new ATOM 0 HH11 ARG T 84 10.670 12.260 -3.335 1.00 0.00 H new ATOM 0 HH12 ARG T 84 11.272 13.237 -1.991 1.00 0.00 H new ATOM 0 HH21 ARG T 84 11.623 10.501 0.203 1.00 0.00 H new ATOM 0 HH22 ARG T 84 11.808 12.246 0.000 1.00 0.00 H new ATOM 1303 N SER T 85 9.585 6.740 -8.071 1.00 0.00 N ATOM 1304 CA SER T 85 9.192 6.709 -9.475 1.00 0.00 C ATOM 1305 C SER T 85 8.846 5.289 -9.908 1.00 0.00 C ATOM 1306 O SER T 85 8.858 4.970 -11.097 1.00 0.00 O ATOM 1307 CB SER T 85 10.313 7.265 -10.355 1.00 0.00 C ATOM 1308 OG SER T 85 9.791 7.881 -11.519 1.00 0.00 O ATOM 0 H SER T 85 10.582 6.598 -7.909 1.00 0.00 H new ATOM 0 HA SER T 85 8.307 7.334 -9.593 1.00 0.00 H new ATOM 0 HB2 SER T 85 10.899 7.989 -9.789 1.00 0.00 H new ATOM 0 HB3 SER T 85 10.990 6.459 -10.639 1.00 0.00 H new ATOM 0 HG SER T 85 10.528 8.229 -12.063 1.00 0.00 H new ATOM 1314 N GLU T 86 8.536 4.439 -8.934 1.00 0.00 N ATOM 1315 CA GLU T 86 8.184 3.053 -9.210 1.00 0.00 C ATOM 1316 C GLU T 86 6.709 2.936 -9.577 1.00 0.00 C ATOM 1317 O GLU T 86 6.024 3.944 -9.752 1.00 0.00 O ATOM 1318 CB GLU T 86 8.493 2.176 -7.996 1.00 0.00 C ATOM 1319 CG GLU T 86 9.931 1.689 -7.949 1.00 0.00 C ATOM 1320 CD GLU T 86 10.092 0.287 -8.502 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.419 -0.037 -9.504 1.00 0.00 O ATOM 1322 OE2 GLU T 86 10.890 -0.487 -7.934 1.00 0.00 O ATOM 0 H GLU T 86 8.522 4.688 -7.945 1.00 0.00 H new ATOM 0 HA GLU T 86 8.780 2.710 -10.055 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.279 2.739 -7.087 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.826 1.314 -8.002 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.561 2.374 -8.517 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.284 1.711 -6.918 1.00 0.00 H new ATOM 1329 N ARG T 87 6.222 1.705 -9.693 1.00 0.00 N ATOM 1330 CA ARG T 87 4.825 1.476 -10.039 1.00 0.00 C ATOM 1331 C ARG T 87 4.217 0.360 -9.201 1.00 0.00 C ATOM 1332 O ARG T 87 4.597 -0.805 -9.319 1.00 0.00 O ATOM 1333 CB ARG T 87 4.685 1.139 -11.523 1.00 0.00 C ATOM 1334 CG ARG T 87 5.628 1.917 -12.426 1.00 0.00 C ATOM 1335 CD ARG T 87 6.148 1.059 -13.568 1.00 0.00 C ATOM 1336 NE ARG T 87 5.332 1.200 -14.770 1.00 0.00 N ATOM 1337 CZ ARG T 87 5.430 2.227 -15.608 1.00 0.00 C ATOM 1338 NH1 ARG T 87 6.303 3.197 -15.373 1.00 0.00 N ATOM 1339 NH2 ARG T 87 4.652 2.285 -16.682 1.00 0.00 N ATOM 0 H ARG T 87 6.770 0.856 -9.553 1.00 0.00 H new ATOM 0 HA ARG T 87 4.284 2.398 -9.827 1.00 0.00 H new ATOM 0 HB2 ARG T 87 4.864 0.073 -11.661 1.00 0.00 H new ATOM 0 HB3 ARG T 87 3.658 1.333 -11.834 1.00 0.00 H new ATOM 0 HG2 ARG T 87 5.110 2.786 -12.831 1.00 0.00 H new ATOM 0 HG3 ARG T 87 6.468 2.291 -11.840 1.00 0.00 H new ATOM 0 HD2 ARG T 87 7.177 1.339 -13.793 1.00 0.00 H new ATOM 0 HD3 ARG T 87 6.162 0.014 -13.259 1.00 0.00 H new ATOM 0 HE ARG T 87 4.650 0.471 -14.978 1.00 0.00 H new ATOM 0 HH11 ARG T 87 6.901 3.156 -14.548 1.00 0.00 H new ATOM 0 HH12 ARG T 87 6.376 3.984 -16.017 1.00 0.00 H new ATOM 0 HH21 ARG T 87 3.978 1.541 -16.865 1.00 0.00 H new ATOM 0 HH22 ARG T 87 4.728 3.073 -17.325 1.00 0.00 H new ATOM 1353 N TRP T 88 3.255 0.731 -8.366 1.00 0.00 N ATOM 1354 CA TRP T 88 2.561 -0.219 -7.502 1.00 0.00 C ATOM 1355 C TRP T 88 1.170 0.302 -7.168 1.00 0.00 C ATOM 1356 O TRP T 88 0.674 1.231 -7.806 1.00 0.00 O ATOM 1357 CB TRP T 88 3.334 -0.457 -6.201 1.00 0.00 C ATOM 1358 CG TRP T 88 4.822 -0.444 -6.361 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.665 0.591 -6.080 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.645 -1.519 -6.828 1.00 0.00 C ATOM 1361 NE1 TRP T 88 6.963 0.228 -6.349 1.00 0.00 N ATOM 1362 CE2 TRP T 88 6.976 -1.063 -6.809 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.385 -2.823 -7.261 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 8.043 -1.865 -7.206 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.445 -3.617 -7.656 1.00 0.00 C ATOM 1366 CH2 TRP T 88 7.760 -3.136 -7.625 1.00 0.00 C ATOM 0 H TRP T 88 2.934 1.694 -8.268 1.00 0.00 H new ATOM 0 HA TRP T 88 2.486 -1.164 -8.040 1.00 0.00 H new ATOM 0 HB2 TRP T 88 3.051 0.308 -5.478 1.00 0.00 H new ATOM 0 HB3 TRP T 88 3.033 -1.418 -5.783 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.357 1.555 -5.702 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.783 0.822 -6.226 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.374 -3.203 -7.286 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 9.058 -1.497 -7.184 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.256 -4.625 -7.994 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.567 -3.782 -7.938 1.00 0.00 H new ATOM 1377 N ASP T 89 0.551 -0.290 -6.156 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.772 0.121 -5.727 1.00 0.00 C ATOM 1379 C ASP T 89 -0.676 1.216 -4.672 1.00 0.00 C ATOM 1380 O ASP T 89 0.412 1.710 -4.372 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.535 -1.078 -5.174 1.00 0.00 C ATOM 1382 CG ASP T 89 -1.167 -2.365 -5.882 1.00 0.00 C ATOM 1383 OD1 ASP T 89 0.016 -2.762 -5.817 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -2.061 -2.976 -6.504 1.00 0.00 O ATOM 0 H ASP T 89 0.949 -1.059 -5.617 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.310 0.519 -6.587 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -1.327 -1.179 -4.109 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.606 -0.903 -5.275 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.817 1.589 -4.110 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.859 2.626 -3.089 1.00 0.00 C ATOM 1391 C ALA T 90 -2.916 2.311 -2.036 1.00 0.00 C ATOM 1392 O ALA T 90 -4.038 1.928 -2.367 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.140 3.979 -3.727 1.00 0.00 C ATOM 0 H ALA T 90 -2.726 1.189 -4.344 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.887 2.660 -2.597 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.169 4.747 -2.954 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.352 4.214 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.100 3.946 -4.242 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.557 2.480 -0.768 1.00 0.00 N ATOM 1400 CA TYR T 91 -3.483 2.217 0.323 1.00 0.00 C ATOM 1401 C TYR T 91 -4.144 3.513 0.779 1.00 0.00 C ATOM 1402 O TYR T 91 -3.486 4.389 1.335 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.749 1.564 1.494 1.00 0.00 C ATOM 1404 CG TYR T 91 -2.511 0.080 1.322 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -3.569 -0.824 1.340 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -1.227 -0.418 1.139 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -3.350 -2.180 1.183 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -1.002 -1.773 0.981 1.00 0.00 C ATOM 1409 CZ TYR T 91 -2.066 -2.649 1.005 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.846 -3.998 0.848 1.00 0.00 O ATOM 0 H TYR T 91 -1.634 2.797 -0.473 1.00 0.00 H new ATOM 0 HA TYR T 91 -4.255 1.535 -0.033 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.789 2.062 1.630 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -3.324 1.726 2.406 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -4.577 -0.461 1.479 1.00 0.00 H new ATOM 0 HD2 TYR T 91 -0.390 0.265 1.120 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -4.181 -2.869 1.200 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.003 -2.143 0.839 1.00 0.00 H new ATOM 0 HH TYR T 91 -0.887 -4.162 0.733 1.00 0.00 H new ATOM 1420 N CYS T 92 -5.443 3.632 0.533 1.00 0.00 N ATOM 1421 CA CYS T 92 -6.181 4.829 0.914 1.00 0.00 C ATOM 1422 C CYS T 92 -6.762 4.692 2.317 1.00 0.00 C ATOM 1423 O CYS T 92 -7.288 3.643 2.684 1.00 0.00 O ATOM 1424 CB CYS T 92 -7.297 5.100 -0.093 1.00 0.00 C ATOM 1425 SG CYS T 92 -6.754 6.016 -1.573 1.00 0.00 S ATOM 0 H CYS T 92 -6.005 2.916 0.073 1.00 0.00 H new ATOM 0 HA CYS T 92 -5.488 5.670 0.915 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -7.730 4.149 -0.405 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -8.089 5.664 0.400 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.653 5.761 3.100 1.00 0.00 N ATOM 1431 CA TYR T 93 -7.158 5.765 4.468 1.00 0.00 C ATOM 1432 C TYR T 93 -7.886 7.072 4.771 1.00 0.00 C ATOM 1433 O TYR T 93 -7.335 8.157 4.591 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.998 5.568 5.446 1.00 0.00 C ATOM 1435 CG TYR T 93 -6.410 5.604 6.905 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -7.077 6.701 7.439 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -6.127 4.536 7.748 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -7.449 6.732 8.769 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -6.498 4.560 9.079 1.00 0.00 C ATOM 1440 CZ TYR T 93 -7.158 5.659 9.584 1.00 0.00 C ATOM 1441 OH TYR T 93 -7.528 5.686 10.910 1.00 0.00 O ATOM 0 H TYR T 93 -6.219 6.637 2.809 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.868 4.945 4.582 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -5.519 4.611 5.238 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -5.252 6.343 5.270 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -7.308 7.543 6.803 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -5.609 3.673 7.357 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -7.965 7.593 9.168 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -6.272 3.721 9.720 1.00 0.00 H new ATOM 0 HH TYR T 93 -7.250 4.853 11.344 1.00 0.00 H new ATOM 1451 N ASN T 94 -9.124 6.958 5.238 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.927 8.128 5.572 1.00 0.00 C ATOM 1453 C ASN T 94 -10.593 7.951 6.934 1.00 0.00 C ATOM 1454 O ASN T 94 -10.883 6.830 7.350 1.00 0.00 O ATOM 1455 CB ASN T 94 -10.989 8.370 4.498 1.00 0.00 C ATOM 1456 CG ASN T 94 -10.410 8.949 3.223 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -9.285 8.631 2.837 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -11.178 9.805 2.560 1.00 0.00 N ATOM 0 H ASN T 94 -9.594 6.066 5.394 1.00 0.00 H new ATOM 0 HA ASN T 94 -9.267 8.994 5.616 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -11.490 7.429 4.270 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -11.747 9.049 4.889 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -10.842 10.227 1.695 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -12.104 10.040 2.916 1.00 0.00 H new ATOM 1465 N PRO T 95 -10.847 9.061 7.645 1.00 0.00 N ATOM 1466 CA PRO T 95 -11.485 9.022 8.963 1.00 0.00 C ATOM 1467 C PRO T 95 -12.729 8.142 8.967 1.00 0.00 C ATOM 1468 O PRO T 95 -13.039 7.488 9.963 1.00 0.00 O ATOM 1469 CB PRO T 95 -11.857 10.483 9.220 1.00 0.00 C ATOM 1470 CG PRO T 95 -10.863 11.266 8.432 1.00 0.00 C ATOM 1471 CD PRO T 95 -10.537 10.437 7.218 1.00 0.00 C ATOM 0 HA PRO T 95 -10.832 8.599 9.726 1.00 0.00 H new ATOM 0 HB2 PRO T 95 -12.876 10.696 8.897 1.00 0.00 H new ATOM 0 HB3 PRO T 95 -11.802 10.726 10.281 1.00 0.00 H new ATOM 0 HG2 PRO T 95 -11.272 12.234 8.143 1.00 0.00 H new ATOM 0 HG3 PRO T 95 -9.967 11.461 9.021 1.00 0.00 H new ATOM 0 HD2 PRO T 95 -11.136 10.734 6.357 1.00 0.00 H new ATOM 0 HD3 PRO T 95 -9.491 10.541 6.930 1.00 0.00 H new ATOM 1479 N HIS T 96 -13.433 8.128 7.840 1.00 0.00 N ATOM 1480 CA HIS T 96 -14.639 7.325 7.699 1.00 0.00 C ATOM 1481 C HIS T 96 -14.508 6.373 6.514 1.00 0.00 C ATOM 1482 O HIS T 96 -15.046 5.266 6.532 1.00 0.00 O ATOM 1483 CB HIS T 96 -15.859 8.229 7.511 1.00 0.00 C ATOM 1484 CG HIS T 96 -17.160 7.490 7.561 1.00 0.00 C ATOM 1485 ND1 HIS T 96 -18.327 7.984 7.018 1.00 0.00 N ATOM 1486 CD2 HIS T 96 -17.476 6.285 8.093 1.00 0.00 C ATOM 1487 CE1 HIS T 96 -19.304 7.116 7.216 1.00 0.00 C ATOM 1488 NE2 HIS T 96 -18.813 6.078 7.865 1.00 0.00 N ATOM 0 H HIS T 96 -13.187 8.666 7.009 1.00 0.00 H new ATOM 0 HA HIS T 96 -14.771 6.738 8.608 1.00 0.00 H new ATOM 0 HB2 HIS T 96 -15.856 8.997 8.285 1.00 0.00 H new ATOM 0 HB3 HIS T 96 -15.778 8.742 6.553 1.00 0.00 H new ATOM 0 HD2 HIS T 96 -16.801 5.613 8.602 1.00 0.00 H new ATOM 0 HE1 HIS T 96 -20.330 7.236 6.900 1.00 0.00 H new ATOM 0 HE2 HIS T 96 -19.342 5.254 8.151 1.00 0.00 H new ATOM 1497 N ALA T 97 -13.780 6.816 5.491 1.00 0.00 N ATOM 1498 CA ALA T 97 -13.562 6.014 4.292 1.00 0.00 C ATOM 1499 C ALA T 97 -14.756 5.109 4.005 1.00 0.00 C ATOM 1500 O ALA T 97 -14.663 3.886 4.118 1.00 0.00 O ATOM 1501 CB ALA T 97 -12.292 5.188 4.434 1.00 0.00 C ATOM 0 H ALA T 97 -13.330 7.731 5.470 1.00 0.00 H new ATOM 0 HA ALA T 97 -13.449 6.695 3.448 1.00 0.00 H new ATOM 0 HB1 ALA T 97 -12.141 4.594 3.532 1.00 0.00 H new ATOM 0 HB2 ALA T 97 -11.440 5.852 4.578 1.00 0.00 H new ATOM 0 HB3 ALA T 97 -12.384 4.525 5.294 1.00 0.00 H new ATOM 1507 N LYS T 98 -15.879 5.717 3.634 1.00 0.00 N ATOM 1508 CA LYS T 98 -17.091 4.966 3.330 1.00 0.00 C ATOM 1509 C LYS T 98 -17.172 4.641 1.842 1.00 0.00 C ATOM 1510 O LYS T 98 -16.607 5.411 1.037 1.00 0.00 O ATOM 1511 CB LYS T 98 -18.327 5.758 3.759 1.00 0.00 C ATOM 1512 CG LYS T 98 -19.470 4.881 4.246 1.00 0.00 C ATOM 1513 CD LYS T 98 -20.811 5.374 3.727 1.00 0.00 C ATOM 1514 CE LYS T 98 -21.952 4.945 4.636 1.00 0.00 C ATOM 1515 NZ LYS T 98 -23.217 5.662 4.315 1.00 0.00 N ATOM 1516 OXT LYS T 98 -17.799 3.619 1.494 1.00 0.00 O ATOM 0 H LYS T 98 -15.974 6.728 3.537 1.00 0.00 H new ATOM 0 HA LYS T 98 -17.057 4.029 3.886 1.00 0.00 H new ATOM 0 HB2 LYS T 98 -18.047 6.451 4.553 1.00 0.00 H new ATOM 0 HB3 LYS T 98 -18.673 6.359 2.918 1.00 0.00 H new ATOM 0 HG2 LYS T 98 -19.307 3.854 3.918 1.00 0.00 H new ATOM 0 HG3 LYS T 98 -19.482 4.870 5.336 1.00 0.00 H new ATOM 0 HD2 LYS T 98 -20.795 6.461 3.650 1.00 0.00 H new ATOM 0 HD3 LYS T 98 -20.979 4.985 2.723 1.00 0.00 H new ATOM 0 HE2 LYS T 98 -22.109 3.871 4.539 1.00 0.00 H new ATOM 0 HE3 LYS T 98 -21.680 5.135 5.674 1.00 0.00 H new ATOM 0 HZ1 LYS T 98 -23.970 5.341 4.957 1.00 0.00 H new ATOM 0 HZ2 LYS T 98 -23.075 6.686 4.432 1.00 0.00 H new ATOM 0 HZ3 LYS T 98 -23.491 5.460 3.332 1.00 0.00 H new TER 1530 LYS T 98