USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 843 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 SER OG : rot -70:sc= 0.215 USER MOD Set 1.2: A 97 THR OG1 : rot -171:sc= -0.0858 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0986 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 51:sc= 0.153 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 66:sc= 1.18 USER MOD Single : A 17 SER OG : rot 78:sc= 0.587 USER MOD Single : A 18 SER OG : rot 140:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -8.36! C(o=-8.4!,f=-13!) USER MOD Single : A 28 GLN :FLIP amide:sc= -1.61 F(o=-2.9,f=-1.6) USER MOD Single : A 37 ASN : amide:sc= 0.967 K(o=0.97,f=-0.47) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -170:sc= -0.829 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0146 K(o=-0.015,f=-1.6) USER MOD Single : A 54 GLN : amide:sc= -0.577 X(o=-0.58,f=-0.59) USER MOD Single : A 56 MET CE :methyl -168:sc= -3.55 (180deg=-4.79!) USER MOD Single : A 57 TYR OH : rot -57:sc= 0.0706 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -5.68! C(o=-5.7!,f=-5.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -160:sc=-0.00237 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 70 ASN : amide:sc= -2.35! C(o=-2.3!,f=-3.8!) USER MOD Single : A 75 GLN : amide:sc= -1.23 K(o=-1.2,f=-7.2!) USER MOD Single : A 78 ASN : amide:sc= -1.91 K(o=-1.9,f=-4.9!) USER MOD Single : A 82 TYR OH : rot 30:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= -0.902 USER MOD Single : A 86 TYR OH : rot -118:sc= 1.13 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 136:sc= -2.15 (180deg=-4.4!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.030 -9.679 7.734 1.00 0.00 N ATOM 2 CA GLY A 1 -24.532 -9.563 6.375 1.00 0.00 C ATOM 3 C GLY A 1 -24.784 -10.942 5.763 1.00 0.00 C ATOM 4 O GLY A 1 -24.733 -11.954 6.462 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.685 -9.204 8.388 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.953 -10.684 7.991 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.093 -9.232 7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.457 -8.986 6.373 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.814 -9.016 5.764 1.00 0.00 H new ATOM 8 N SER A 2 -25.051 -10.939 4.466 1.00 0.00 N ATOM 9 CA SER A 2 -25.311 -12.178 3.752 1.00 0.00 C ATOM 10 C SER A 2 -24.031 -12.672 3.076 1.00 0.00 C ATOM 11 O SER A 2 -23.553 -13.767 3.368 1.00 0.00 O ATOM 12 CB SER A 2 -26.422 -11.994 2.716 1.00 0.00 C ATOM 13 OG SER A 2 -26.792 -13.227 2.105 1.00 0.00 O ATOM 0 H SER A 2 -25.093 -10.098 3.890 1.00 0.00 H new ATOM 0 HA SER A 2 -25.644 -12.924 4.473 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.295 -11.551 3.195 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.090 -11.295 1.949 1.00 0.00 H new ATOM 0 HG SER A 2 -27.505 -13.067 1.451 1.00 0.00 H new ATOM 19 N SER A 3 -23.511 -11.840 2.185 1.00 0.00 N ATOM 20 CA SER A 3 -22.296 -12.178 1.465 1.00 0.00 C ATOM 21 C SER A 3 -21.141 -11.297 1.945 1.00 0.00 C ATOM 22 O SER A 3 -21.365 -10.233 2.521 1.00 0.00 O ATOM 23 CB SER A 3 -22.488 -12.023 -0.045 1.00 0.00 C ATOM 24 OG SER A 3 -21.833 -13.057 -0.775 1.00 0.00 O ATOM 0 H SER A 3 -23.910 -10.932 1.946 1.00 0.00 H new ATOM 0 HA SER A 3 -22.058 -13.222 1.669 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.553 -12.033 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.101 -11.054 -0.362 1.00 0.00 H new ATOM 0 HG SER A 3 -21.981 -12.924 -1.735 1.00 0.00 H new ATOM 30 N GLY A 4 -19.930 -11.772 1.691 1.00 0.00 N ATOM 31 CA GLY A 4 -18.740 -11.040 2.091 1.00 0.00 C ATOM 32 C GLY A 4 -17.661 -11.117 1.009 1.00 0.00 C ATOM 33 O GLY A 4 -16.978 -12.132 0.879 1.00 0.00 O ATOM 0 H GLY A 4 -19.747 -12.655 1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.996 -9.998 2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.354 -11.449 3.025 1.00 0.00 H new ATOM 37 N SER A 5 -17.541 -10.031 0.260 1.00 0.00 N ATOM 38 CA SER A 5 -16.556 -9.962 -0.807 1.00 0.00 C ATOM 39 C SER A 5 -16.093 -8.517 -0.999 1.00 0.00 C ATOM 40 O SER A 5 -16.585 -7.815 -1.881 1.00 0.00 O ATOM 41 CB SER A 5 -17.122 -10.516 -2.115 1.00 0.00 C ATOM 42 OG SER A 5 -18.405 -9.972 -2.415 1.00 0.00 O ATOM 0 H SER A 5 -18.109 -9.191 0.371 1.00 0.00 H new ATOM 0 HA SER A 5 -15.701 -10.576 -0.524 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.434 -10.293 -2.931 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.195 -11.601 -2.047 1.00 0.00 H new ATOM 0 HG SER A 5 -18.369 -8.995 -2.351 1.00 0.00 H new ATOM 48 N SER A 6 -15.151 -8.114 -0.158 1.00 0.00 N ATOM 49 CA SER A 6 -14.615 -6.765 -0.224 1.00 0.00 C ATOM 50 C SER A 6 -13.097 -6.813 -0.407 1.00 0.00 C ATOM 51 O SER A 6 -12.396 -7.473 0.360 1.00 0.00 O ATOM 52 CB SER A 6 -14.974 -5.968 1.032 1.00 0.00 C ATOM 53 OG SER A 6 -15.178 -4.587 0.747 1.00 0.00 O ATOM 0 H SER A 6 -14.745 -8.699 0.573 1.00 0.00 H new ATOM 0 HA SER A 6 -15.061 -6.261 -1.081 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.877 -6.383 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.177 -6.073 1.768 1.00 0.00 H new ATOM 0 HG SER A 6 -15.407 -4.113 1.574 1.00 0.00 H new ATOM 59 N GLY A 7 -12.633 -6.105 -1.426 1.00 0.00 N ATOM 60 CA GLY A 7 -11.210 -6.059 -1.719 1.00 0.00 C ATOM 61 C GLY A 7 -10.559 -4.829 -1.083 1.00 0.00 C ATOM 62 O GLY A 7 -11.208 -3.799 -0.909 1.00 0.00 O ATOM 0 H GLY A 7 -13.217 -5.559 -2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.729 -6.963 -1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.058 -6.039 -2.798 1.00 0.00 H new ATOM 66 N MET A 8 -9.285 -4.978 -0.753 1.00 0.00 N ATOM 67 CA MET A 8 -8.539 -3.892 -0.140 1.00 0.00 C ATOM 68 C MET A 8 -7.735 -3.119 -1.188 1.00 0.00 C ATOM 69 O MET A 8 -6.877 -3.688 -1.861 1.00 0.00 O ATOM 70 CB MET A 8 -7.589 -4.458 0.917 1.00 0.00 C ATOM 71 CG MET A 8 -8.362 -5.206 2.005 1.00 0.00 C ATOM 72 SD MET A 8 -7.335 -6.479 2.720 1.00 0.00 S ATOM 73 CE MET A 8 -7.638 -7.806 1.565 1.00 0.00 C ATOM 0 H MET A 8 -8.750 -5.834 -0.898 1.00 0.00 H new ATOM 0 HA MET A 8 -9.248 -3.207 0.325 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.874 -5.132 0.445 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.014 -3.648 1.366 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.683 -4.509 2.779 1.00 0.00 H new ATOM 0 HG3 MET A 8 -9.263 -5.650 1.582 1.00 0.00 H new ATOM 0 HE1 MET A 8 -7.069 -8.686 1.864 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.701 -8.047 1.558 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.329 -7.497 0.566 1.00 0.00 H new ATOM 83 N VAL A 9 -8.041 -1.834 -1.293 1.00 0.00 N ATOM 84 CA VAL A 9 -7.358 -0.978 -2.247 1.00 0.00 C ATOM 85 C VAL A 9 -6.057 -0.466 -1.626 1.00 0.00 C ATOM 86 O VAL A 9 -6.083 0.341 -0.699 1.00 0.00 O ATOM 87 CB VAL A 9 -8.289 0.149 -2.699 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.491 1.326 -3.265 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.312 -0.359 -3.716 1.00 0.00 C ATOM 0 H VAL A 9 -8.753 -1.365 -0.733 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.092 -1.540 -3.142 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.834 0.504 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.177 2.113 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.820 1.713 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.907 0.991 -4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.961 0.462 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.792 -0.754 -4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.913 -1.148 -3.264 1.00 0.00 H new ATOM 99 N ILE A 10 -4.949 -0.957 -2.162 1.00 0.00 N ATOM 100 CA ILE A 10 -3.640 -0.560 -1.672 1.00 0.00 C ATOM 101 C ILE A 10 -3.322 0.852 -2.169 1.00 0.00 C ATOM 102 O ILE A 10 -2.524 1.025 -3.089 1.00 0.00 O ATOM 103 CB ILE A 10 -2.586 -1.600 -2.057 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.916 -2.965 -1.451 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.183 -1.126 -1.673 1.00 0.00 C ATOM 106 CD1 ILE A 10 -3.257 -2.838 0.035 1.00 0.00 C ATOM 0 H ILE A 10 -4.931 -1.627 -2.931 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.635 -0.524 -0.583 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.601 -1.717 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.757 -3.410 -1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.067 -3.637 -1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.453 -1.883 -1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.959 -0.193 -2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.136 -0.963 -0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.488 -3.823 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.406 -2.416 0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.121 -2.185 0.155 1.00 0.00 H new ATOM 118 N ARG A 11 -3.962 1.825 -1.537 1.00 0.00 N ATOM 119 CA ARG A 11 -3.757 3.216 -1.903 1.00 0.00 C ATOM 120 C ARG A 11 -2.270 3.569 -1.835 1.00 0.00 C ATOM 121 O ARG A 11 -1.716 3.732 -0.749 1.00 0.00 O ATOM 122 CB ARG A 11 -4.539 4.150 -0.978 1.00 0.00 C ATOM 123 CG ARG A 11 -6.037 3.846 -1.030 1.00 0.00 C ATOM 124 CD ARG A 11 -6.819 4.783 -0.107 1.00 0.00 C ATOM 125 NE ARG A 11 -8.240 4.371 -0.054 1.00 0.00 N ATOM 126 CZ ARG A 11 -9.126 4.844 0.832 1.00 0.00 C ATOM 127 NH1 ARG A 11 -8.745 5.749 1.744 1.00 0.00 N ATOM 128 NH2 ARG A 11 -10.395 4.413 0.807 1.00 0.00 N ATOM 0 H ARG A 11 -4.623 1.677 -0.774 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.119 3.347 -2.923 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.178 4.041 0.045 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.364 5.186 -1.269 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.398 3.953 -2.053 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.212 2.811 -0.736 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.388 4.763 0.894 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.742 5.809 -0.467 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.564 3.684 -0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.780 6.078 1.764 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.420 6.109 2.418 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.686 3.725 0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.069 4.773 1.482 1.00 0.00 H new ATOM 142 N VAL A 12 -1.665 3.677 -3.009 1.00 0.00 N ATOM 143 CA VAL A 12 -0.253 4.008 -3.097 1.00 0.00 C ATOM 144 C VAL A 12 -0.101 5.499 -3.404 1.00 0.00 C ATOM 145 O VAL A 12 -0.542 5.968 -4.452 1.00 0.00 O ATOM 146 CB VAL A 12 0.431 3.111 -4.131 1.00 0.00 C ATOM 147 CG1 VAL A 12 1.827 3.636 -4.473 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.495 1.662 -3.643 1.00 0.00 C ATOM 0 H VAL A 12 -2.128 3.541 -3.908 1.00 0.00 H new ATOM 0 HA VAL A 12 0.244 3.821 -2.145 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.168 3.132 -5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.292 2.981 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.747 4.643 -4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.438 3.659 -3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.986 1.046 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.060 1.616 -2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.515 1.291 -3.472 1.00 0.00 H new ATOM 158 N PHE A 13 0.525 6.202 -2.472 1.00 0.00 N ATOM 159 CA PHE A 13 0.741 7.630 -2.630 1.00 0.00 C ATOM 160 C PHE A 13 1.954 7.906 -3.521 1.00 0.00 C ATOM 161 O PHE A 13 3.023 7.334 -3.314 1.00 0.00 O ATOM 162 CB PHE A 13 1.008 8.199 -1.236 1.00 0.00 C ATOM 163 CG PHE A 13 -0.258 8.443 -0.411 1.00 0.00 C ATOM 164 CD1 PHE A 13 -1.379 7.713 -0.653 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.261 9.390 0.566 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.553 7.939 0.113 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.435 9.616 1.332 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.556 8.885 1.089 1.00 0.00 C ATOM 0 H PHE A 13 0.890 5.809 -1.604 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.131 8.088 -3.097 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.657 7.512 -0.692 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.551 9.139 -1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.377 6.961 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.630 9.970 0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.444 7.359 -0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.438 10.368 2.107 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.449 9.056 1.672 1.00 0.00 H new ATOM 178 N ILE A 14 1.746 8.781 -4.494 1.00 0.00 N ATOM 179 CA ILE A 14 2.809 9.140 -5.417 1.00 0.00 C ATOM 180 C ILE A 14 2.803 10.654 -5.633 1.00 0.00 C ATOM 181 O ILE A 14 1.742 11.275 -5.667 1.00 0.00 O ATOM 182 CB ILE A 14 2.689 8.334 -6.712 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.358 8.617 -7.412 1.00 0.00 C ATOM 184 CG2 ILE A 14 2.892 6.840 -6.450 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.586 9.180 -8.817 1.00 0.00 C ATOM 0 H ILE A 14 0.857 9.252 -4.663 1.00 0.00 H new ATOM 0 HA ILE A 14 3.781 8.882 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 14 3.483 8.653 -7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.774 7.699 -7.475 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.776 9.326 -6.822 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.801 6.291 -7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.883 6.676 -6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.136 6.488 -5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.624 9.372 -9.292 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.150 10.110 -8.749 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.147 8.459 -9.411 1.00 0.00 H new ATOM 197 N ALA A 15 4.000 11.205 -5.773 1.00 0.00 N ATOM 198 CA ALA A 15 4.145 12.636 -5.984 1.00 0.00 C ATOM 199 C ALA A 15 4.776 12.883 -7.356 1.00 0.00 C ATOM 200 O ALA A 15 5.998 12.938 -7.480 1.00 0.00 O ATOM 201 CB ALA A 15 4.970 13.239 -4.845 1.00 0.00 C ATOM 0 H ALA A 15 4.878 10.687 -5.745 1.00 0.00 H new ATOM 0 HA ALA A 15 3.171 13.126 -5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.079 14.312 -5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.464 13.061 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.955 12.774 -4.824 1.00 0.00 H new ATOM 207 N SER A 16 3.913 13.024 -8.351 1.00 0.00 N ATOM 208 CA SER A 16 4.370 13.264 -9.709 1.00 0.00 C ATOM 209 C SER A 16 4.985 14.661 -9.815 1.00 0.00 C ATOM 210 O SER A 16 4.469 15.517 -10.532 1.00 0.00 O ATOM 211 CB SER A 16 3.225 13.111 -10.712 1.00 0.00 C ATOM 212 OG SER A 16 2.373 14.253 -10.728 1.00 0.00 O ATOM 0 H SER A 16 2.900 12.977 -8.244 1.00 0.00 H new ATOM 0 HA SER A 16 5.129 12.520 -9.950 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.635 12.951 -11.709 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.640 12.226 -10.462 1.00 0.00 H new ATOM 0 HG SER A 16 2.869 15.027 -11.068 1.00 0.00 H new ATOM 218 N SER A 17 6.079 14.848 -9.092 1.00 0.00 N ATOM 219 CA SER A 17 6.770 16.126 -9.095 1.00 0.00 C ATOM 220 C SER A 17 7.655 16.246 -7.853 1.00 0.00 C ATOM 221 O SER A 17 7.373 17.045 -6.961 1.00 0.00 O ATOM 222 CB SER A 17 5.777 17.289 -9.154 1.00 0.00 C ATOM 223 OG SER A 17 5.701 17.861 -10.457 1.00 0.00 O ATOM 0 H SER A 17 6.504 14.135 -8.499 1.00 0.00 H new ATOM 0 HA SER A 17 7.397 16.173 -9.985 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.790 16.938 -8.854 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.074 18.056 -8.438 1.00 0.00 H new ATOM 0 HG SER A 17 5.151 17.290 -11.033 1.00 0.00 H new ATOM 229 N SER A 18 8.707 15.441 -7.835 1.00 0.00 N ATOM 230 CA SER A 18 9.634 15.447 -6.717 1.00 0.00 C ATOM 231 C SER A 18 11.055 15.720 -7.217 1.00 0.00 C ATOM 232 O SER A 18 11.728 16.622 -6.721 1.00 0.00 O ATOM 233 CB SER A 18 9.586 14.122 -5.953 1.00 0.00 C ATOM 234 OG SER A 18 10.763 13.908 -5.179 1.00 0.00 O ATOM 0 H SER A 18 8.938 14.780 -8.577 1.00 0.00 H new ATOM 0 HA SER A 18 9.337 16.241 -6.032 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.715 14.113 -5.298 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.462 13.301 -6.659 1.00 0.00 H new ATOM 0 HG SER A 18 10.519 13.517 -4.314 1.00 0.00 H new ATOM 240 N GLY A 19 11.468 14.923 -8.192 1.00 0.00 N ATOM 241 CA GLY A 19 12.795 15.068 -8.764 1.00 0.00 C ATOM 242 C GLY A 19 13.615 13.789 -8.578 1.00 0.00 C ATOM 243 O GLY A 19 14.148 13.244 -9.542 1.00 0.00 O ATOM 0 H GLY A 19 10.907 14.175 -8.600 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.714 15.301 -9.826 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.309 15.906 -8.292 1.00 0.00 H new ATOM 247 N PHE A 20 13.688 13.348 -7.331 1.00 0.00 N ATOM 248 CA PHE A 20 14.433 12.143 -7.006 1.00 0.00 C ATOM 249 C PHE A 20 13.883 10.936 -7.767 1.00 0.00 C ATOM 250 O PHE A 20 13.037 10.206 -7.253 1.00 0.00 O ATOM 251 CB PHE A 20 14.264 11.905 -5.504 1.00 0.00 C ATOM 252 CG PHE A 20 14.853 13.012 -4.627 1.00 0.00 C ATOM 253 CD1 PHE A 20 15.986 13.656 -5.016 1.00 0.00 C ATOM 254 CD2 PHE A 20 14.243 13.352 -3.461 1.00 0.00 C ATOM 255 CE1 PHE A 20 16.532 14.684 -4.202 1.00 0.00 C ATOM 256 CE2 PHE A 20 14.789 14.380 -2.647 1.00 0.00 C ATOM 257 CZ PHE A 20 15.922 15.024 -3.035 1.00 0.00 C ATOM 0 H PHE A 20 13.244 13.803 -6.534 1.00 0.00 H new ATOM 0 HA PHE A 20 15.480 12.266 -7.283 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.202 11.805 -5.280 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.736 10.958 -5.241 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.470 13.386 -5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.343 12.840 -3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.432 15.196 -4.510 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.304 14.650 -1.720 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.338 15.806 -2.416 1.00 0.00 H new ATOM 267 N VAL A 21 14.386 10.762 -8.980 1.00 0.00 N ATOM 268 CA VAL A 21 13.955 9.656 -9.818 1.00 0.00 C ATOM 269 C VAL A 21 13.865 8.385 -8.970 1.00 0.00 C ATOM 270 O VAL A 21 12.997 7.544 -9.197 1.00 0.00 O ATOM 271 CB VAL A 21 14.896 9.510 -11.016 1.00 0.00 C ATOM 272 CG1 VAL A 21 16.120 8.667 -10.653 1.00 0.00 C ATOM 273 CG2 VAL A 21 14.161 8.918 -12.221 1.00 0.00 C ATOM 0 H VAL A 21 15.088 11.369 -9.403 1.00 0.00 H new ATOM 0 HA VAL A 21 12.962 9.848 -10.223 1.00 0.00 H new ATOM 0 HB VAL A 21 15.245 10.505 -11.291 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.772 8.579 -11.522 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.663 9.146 -9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.798 7.674 -10.339 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.852 8.825 -13.059 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.770 7.934 -11.961 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.336 9.573 -12.502 1.00 0.00 H new ATOM 283 N ALA A 22 14.774 8.286 -8.011 1.00 0.00 N ATOM 284 CA ALA A 22 14.808 7.133 -7.129 1.00 0.00 C ATOM 285 C ALA A 22 13.404 6.874 -6.580 1.00 0.00 C ATOM 286 O ALA A 22 12.924 5.742 -6.601 1.00 0.00 O ATOM 287 CB ALA A 22 15.834 7.369 -6.018 1.00 0.00 C ATOM 0 H ALA A 22 15.492 8.986 -7.826 1.00 0.00 H new ATOM 0 HA ALA A 22 15.118 6.242 -7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.859 6.503 -5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.820 7.518 -6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.555 8.254 -5.447 1.00 0.00 H new ATOM 293 N ILE A 23 12.785 7.943 -6.100 1.00 0.00 N ATOM 294 CA ILE A 23 11.445 7.846 -5.546 1.00 0.00 C ATOM 295 C ILE A 23 10.484 7.354 -6.630 1.00 0.00 C ATOM 296 O ILE A 23 9.658 6.478 -6.381 1.00 0.00 O ATOM 297 CB ILE A 23 11.029 9.176 -4.914 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.933 9.526 -3.730 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.551 9.158 -4.521 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.569 10.894 -3.148 1.00 0.00 C ATOM 0 H ILE A 23 13.187 8.880 -6.083 1.00 0.00 H new ATOM 0 HA ILE A 23 11.419 7.114 -4.739 1.00 0.00 H new ATOM 0 HB ILE A 23 11.154 9.962 -5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.840 8.762 -2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.975 9.529 -4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.282 10.115 -4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.941 8.987 -5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.376 8.359 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.226 11.119 -2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.687 11.659 -3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.534 10.880 -2.805 1.00 0.00 H new ATOM 312 N LYS A 24 10.624 7.939 -7.811 1.00 0.00 N ATOM 313 CA LYS A 24 9.779 7.570 -8.934 1.00 0.00 C ATOM 314 C LYS A 24 9.849 6.056 -9.144 1.00 0.00 C ATOM 315 O LYS A 24 8.829 5.372 -9.097 1.00 0.00 O ATOM 316 CB LYS A 24 10.154 8.382 -10.175 1.00 0.00 C ATOM 317 CG LYS A 24 8.976 9.236 -10.648 1.00 0.00 C ATOM 318 CD LYS A 24 8.989 9.394 -12.170 1.00 0.00 C ATOM 319 CE LYS A 24 9.127 10.865 -12.567 1.00 0.00 C ATOM 320 NZ LYS A 24 7.874 11.355 -13.183 1.00 0.00 N ATOM 0 H LYS A 24 11.310 8.666 -8.014 1.00 0.00 H new ATOM 0 HA LYS A 24 8.738 7.814 -8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.006 9.024 -9.950 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.464 7.709 -10.974 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.039 8.775 -10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.022 10.218 -10.177 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.815 8.821 -12.592 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.070 8.985 -12.590 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.366 11.464 -11.688 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.954 10.983 -13.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.985 12.355 -13.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.663 10.794 -14.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.093 11.261 -12.503 1.00 0.00 H new ATOM 334 N LYS A 25 11.064 5.579 -9.372 1.00 0.00 N ATOM 335 CA LYS A 25 11.280 4.158 -9.590 1.00 0.00 C ATOM 336 C LYS A 25 10.499 3.361 -8.544 1.00 0.00 C ATOM 337 O LYS A 25 9.699 2.493 -8.889 1.00 0.00 O ATOM 338 CB LYS A 25 12.777 3.842 -9.613 1.00 0.00 C ATOM 339 CG LYS A 25 13.380 4.141 -10.988 1.00 0.00 C ATOM 340 CD LYS A 25 14.575 5.088 -10.868 1.00 0.00 C ATOM 341 CE LYS A 25 15.895 4.323 -10.987 1.00 0.00 C ATOM 342 NZ LYS A 25 16.144 3.526 -9.764 1.00 0.00 N ATOM 0 H LYS A 25 11.908 6.150 -9.411 1.00 0.00 H new ATOM 0 HA LYS A 25 10.899 3.860 -10.567 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.288 4.431 -8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.935 2.793 -9.363 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.695 3.211 -11.461 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.622 4.586 -11.633 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.520 5.849 -11.646 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.537 5.608 -9.911 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.864 3.666 -11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.715 5.023 -11.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.043 3.013 -9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.194 4.160 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.370 2.845 -9.630 1.00 0.00 H new ATOM 356 N LYS A 26 10.759 3.684 -7.285 1.00 0.00 N ATOM 357 CA LYS A 26 10.090 3.009 -6.186 1.00 0.00 C ATOM 358 C LYS A 26 8.585 2.965 -6.460 1.00 0.00 C ATOM 359 O LYS A 26 7.978 1.896 -6.441 1.00 0.00 O ATOM 360 CB LYS A 26 10.453 3.666 -4.853 1.00 0.00 C ATOM 361 CG LYS A 26 11.934 3.462 -4.527 1.00 0.00 C ATOM 362 CD LYS A 26 12.382 4.397 -3.402 1.00 0.00 C ATOM 363 CE LYS A 26 13.860 4.185 -3.068 1.00 0.00 C ATOM 364 NZ LYS A 26 14.479 5.455 -2.628 1.00 0.00 N ATOM 0 H LYS A 26 11.424 4.404 -7.002 1.00 0.00 H new ATOM 0 HA LYS A 26 10.431 1.977 -6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.230 4.732 -4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.840 3.244 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.106 2.426 -4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.535 3.645 -5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.218 5.433 -3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.776 4.219 -2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.958 3.435 -2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.385 3.801 -3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.482 5.293 -2.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.402 6.160 -3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.988 5.805 -1.781 1.00 0.00 H new ATOM 378 N GLN A 27 8.027 4.141 -6.708 1.00 0.00 N ATOM 379 CA GLN A 27 6.605 4.250 -6.986 1.00 0.00 C ATOM 380 C GLN A 27 6.184 3.204 -8.019 1.00 0.00 C ATOM 381 O GLN A 27 5.094 2.641 -7.930 1.00 0.00 O ATOM 382 CB GLN A 27 6.245 5.661 -7.455 1.00 0.00 C ATOM 383 CG GLN A 27 6.478 6.685 -6.343 1.00 0.00 C ATOM 384 CD GLN A 27 6.920 8.031 -6.922 1.00 0.00 C ATOM 385 OE1 GLN A 27 7.922 8.606 -6.528 1.00 0.00 O ATOM 386 NE2 GLN A 27 6.119 8.500 -7.875 1.00 0.00 N ATOM 0 H GLN A 27 8.534 5.026 -6.722 1.00 0.00 H new ATOM 0 HA GLN A 27 6.058 4.059 -6.062 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.845 5.922 -8.326 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.201 5.689 -7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.562 6.816 -5.766 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.238 6.314 -5.655 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.296 7.968 -8.157 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.328 9.392 -8.323 1.00 0.00 H new ATOM 395 N GLN A 28 7.070 2.975 -8.977 1.00 0.00 N ATOM 396 CA GLN A 28 6.804 2.006 -10.027 1.00 0.00 C ATOM 397 C GLN A 28 6.856 0.584 -9.463 1.00 0.00 C ATOM 398 O GLN A 28 5.847 -0.118 -9.448 1.00 0.00 O ATOM 399 CB GLN A 28 7.787 2.172 -11.188 1.00 0.00 C ATOM 400 CG GLN A 28 7.676 3.567 -11.805 1.00 0.00 C ATOM 401 CD GLN A 28 9.044 4.073 -12.266 1.00 0.00 C ATOM 402 OE1 GLN A 28 9.313 5.321 -11.893 1.00 0.00 O flip ATOM 403 NE2 GLN A 28 9.806 3.377 -12.916 1.00 0.00 N flip ATOM 0 H GLN A 28 7.973 3.444 -9.048 1.00 0.00 H new ATOM 0 HA GLN A 28 5.801 2.185 -10.415 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.805 2.007 -10.834 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.588 1.417 -11.949 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.990 3.541 -12.652 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.255 4.259 -11.075 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.538 2.426 -13.169 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.712 3.746 -13.206 1.00 0.00 H new ATOM 412 N ASP A 29 8.043 0.204 -9.014 1.00 0.00 N ATOM 413 CA ASP A 29 8.240 -1.121 -8.450 1.00 0.00 C ATOM 414 C ASP A 29 7.008 -1.510 -7.630 1.00 0.00 C ATOM 415 O ASP A 29 6.661 -2.687 -7.544 1.00 0.00 O ATOM 416 CB ASP A 29 9.455 -1.150 -7.522 1.00 0.00 C ATOM 417 CG ASP A 29 10.679 -1.879 -8.080 1.00 0.00 C ATOM 418 OD1 ASP A 29 11.027 -1.591 -9.246 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.239 -2.706 -7.329 1.00 0.00 O ATOM 0 H ASP A 29 8.878 0.790 -9.029 1.00 0.00 H new ATOM 0 HA ASP A 29 8.399 -1.817 -9.273 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.738 -0.124 -7.287 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.165 -1.624 -6.584 1.00 0.00 H new ATOM 424 N VAL A 30 6.382 -0.498 -7.047 1.00 0.00 N ATOM 425 CA VAL A 30 5.197 -0.720 -6.236 1.00 0.00 C ATOM 426 C VAL A 30 4.044 -1.169 -7.136 1.00 0.00 C ATOM 427 O VAL A 30 3.845 -2.364 -7.346 1.00 0.00 O ATOM 428 CB VAL A 30 4.871 0.540 -5.431 1.00 0.00 C ATOM 429 CG1 VAL A 30 3.542 0.387 -4.688 1.00 0.00 C ATOM 430 CG2 VAL A 30 6.005 0.881 -4.463 1.00 0.00 C ATOM 0 H VAL A 30 6.673 0.477 -7.120 1.00 0.00 H new ATOM 0 HA VAL A 30 5.373 -1.516 -5.513 1.00 0.00 H new ATOM 0 HB VAL A 30 4.769 1.369 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.334 1.296 -4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.741 0.215 -5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.603 -0.459 -4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.748 1.780 -3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.153 0.053 -3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.923 1.053 -5.024 1.00 0.00 H new ATOM 440 N VAL A 31 3.316 -0.186 -7.645 1.00 0.00 N ATOM 441 CA VAL A 31 2.188 -0.465 -8.518 1.00 0.00 C ATOM 442 C VAL A 31 2.553 -1.610 -9.465 1.00 0.00 C ATOM 443 O VAL A 31 1.829 -2.600 -9.555 1.00 0.00 O ATOM 444 CB VAL A 31 1.769 0.809 -9.255 1.00 0.00 C ATOM 445 CG1 VAL A 31 2.955 1.761 -9.422 1.00 0.00 C ATOM 446 CG2 VAL A 31 1.138 0.477 -10.609 1.00 0.00 C ATOM 0 H VAL A 31 3.485 0.805 -7.470 1.00 0.00 H new ATOM 0 HA VAL A 31 1.325 -0.787 -7.936 1.00 0.00 H new ATOM 0 HB VAL A 31 1.016 1.314 -8.649 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.630 2.658 -9.949 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.342 2.036 -8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.740 1.268 -9.996 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.849 1.400 -11.112 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.859 -0.061 -11.224 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.256 -0.144 -10.457 1.00 0.00 H new ATOM 456 N ARG A 32 3.676 -1.437 -10.147 1.00 0.00 N ATOM 457 CA ARG A 32 4.146 -2.444 -11.083 1.00 0.00 C ATOM 458 C ARG A 32 3.880 -3.846 -10.532 1.00 0.00 C ATOM 459 O ARG A 32 3.145 -4.626 -11.137 1.00 0.00 O ATOM 460 CB ARG A 32 5.643 -2.286 -11.356 1.00 0.00 C ATOM 461 CG ARG A 32 5.927 -0.993 -12.122 1.00 0.00 C ATOM 462 CD ARG A 32 6.205 -1.280 -13.599 1.00 0.00 C ATOM 463 NE ARG A 32 6.304 -0.010 -14.352 1.00 0.00 N ATOM 464 CZ ARG A 32 5.248 0.723 -14.731 1.00 0.00 C ATOM 465 NH1 ARG A 32 4.007 0.316 -14.429 1.00 0.00 N ATOM 466 NH2 ARG A 32 5.432 1.862 -15.411 1.00 0.00 N ATOM 0 H ARG A 32 4.274 -0.614 -10.070 1.00 0.00 H new ATOM 0 HA ARG A 32 3.602 -2.308 -12.017 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.190 -2.282 -10.413 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.004 -3.140 -11.930 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.075 -0.319 -12.033 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.783 -0.485 -11.679 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.132 -1.845 -13.700 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.408 -1.897 -14.014 1.00 0.00 H new ATOM 0 HE ARG A 32 7.234 0.329 -14.598 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.867 -0.551 -13.911 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.203 0.874 -14.717 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.376 2.172 -15.641 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.628 2.419 -15.699 1.00 0.00 H new ATOM 480 N PHE A 33 4.492 -4.125 -9.390 1.00 0.00 N ATOM 481 CA PHE A 33 4.330 -5.420 -8.751 1.00 0.00 C ATOM 482 C PHE A 33 2.850 -5.771 -8.591 1.00 0.00 C ATOM 483 O PHE A 33 2.454 -6.917 -8.800 1.00 0.00 O ATOM 484 CB PHE A 33 4.971 -5.317 -7.365 1.00 0.00 C ATOM 485 CG PHE A 33 5.043 -6.648 -6.614 1.00 0.00 C ATOM 486 CD1 PHE A 33 3.927 -7.160 -6.029 1.00 0.00 C ATOM 487 CD2 PHE A 33 6.223 -7.318 -6.530 1.00 0.00 C ATOM 488 CE1 PHE A 33 3.994 -8.395 -5.331 1.00 0.00 C ATOM 489 CE2 PHE A 33 6.291 -8.553 -5.832 1.00 0.00 C ATOM 490 CZ PHE A 33 5.175 -9.065 -5.247 1.00 0.00 C ATOM 0 H PHE A 33 5.101 -3.476 -8.891 1.00 0.00 H new ATOM 0 HA PHE A 33 4.796 -6.196 -9.358 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.979 -4.916 -7.471 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.405 -4.603 -6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.990 -6.627 -6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.109 -6.911 -6.994 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.108 -8.802 -4.867 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.228 -9.085 -5.766 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.226 -10.004 -4.716 1.00 0.00 H new ATOM 500 N LEU A 34 2.072 -4.764 -8.222 1.00 0.00 N ATOM 501 CA LEU A 34 0.644 -4.953 -8.031 1.00 0.00 C ATOM 502 C LEU A 34 -0.010 -5.259 -9.380 1.00 0.00 C ATOM 503 O LEU A 34 -0.689 -6.274 -9.528 1.00 0.00 O ATOM 504 CB LEU A 34 0.035 -3.747 -7.313 1.00 0.00 C ATOM 505 CG LEU A 34 0.771 -3.272 -6.058 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.460 -1.803 -5.763 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.459 -4.176 -4.864 1.00 0.00 C ATOM 0 H LEU A 34 2.403 -3.815 -8.050 1.00 0.00 H new ATOM 0 HA LEU A 34 0.457 -5.809 -7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.014 -2.917 -8.017 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.991 -3.993 -7.038 1.00 0.00 H new ATOM 0 HG LEU A 34 1.843 -3.343 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.995 -1.491 -4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.775 -1.188 -6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.612 -1.682 -5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.995 -3.816 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.613 -4.161 -4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.773 -5.196 -5.088 1.00 0.00 H new ATOM 519 N GLU A 35 0.217 -4.363 -10.329 1.00 0.00 N ATOM 520 CA GLU A 35 -0.341 -4.525 -11.661 1.00 0.00 C ATOM 521 C GLU A 35 0.014 -5.904 -12.221 1.00 0.00 C ATOM 522 O GLU A 35 -0.866 -6.652 -12.642 1.00 0.00 O ATOM 523 CB GLU A 35 0.138 -3.413 -12.596 1.00 0.00 C ATOM 524 CG GLU A 35 -0.605 -2.105 -12.317 1.00 0.00 C ATOM 525 CD GLU A 35 -2.065 -2.197 -12.765 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.275 -2.560 -13.943 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.938 -1.904 -11.920 1.00 0.00 O ATOM 0 H GLU A 35 0.780 -3.522 -10.202 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.426 -4.452 -11.590 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.210 -3.261 -12.468 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.020 -3.711 -13.632 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.561 -1.878 -11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.112 -1.284 -12.838 1.00 0.00 H new ATOM 534 N ALA A 36 1.306 -6.197 -12.209 1.00 0.00 N ATOM 535 CA ALA A 36 1.789 -7.473 -12.711 1.00 0.00 C ATOM 536 C ALA A 36 1.070 -8.608 -11.980 1.00 0.00 C ATOM 537 O ALA A 36 0.912 -9.700 -12.525 1.00 0.00 O ATOM 538 CB ALA A 36 3.308 -7.544 -12.547 1.00 0.00 C ATOM 0 H ALA A 36 2.033 -5.573 -11.860 1.00 0.00 H new ATOM 0 HA ALA A 36 1.571 -7.575 -13.774 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.670 -8.501 -12.923 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.773 -6.734 -13.109 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.565 -7.448 -11.492 1.00 0.00 H new ATOM 544 N ASN A 37 0.653 -8.312 -10.758 1.00 0.00 N ATOM 545 CA ASN A 37 -0.046 -9.295 -9.947 1.00 0.00 C ATOM 546 C ASN A 37 -1.523 -8.910 -9.847 1.00 0.00 C ATOM 547 O ASN A 37 -2.222 -9.347 -8.933 1.00 0.00 O ATOM 548 CB ASN A 37 0.527 -9.346 -8.529 1.00 0.00 C ATOM 549 CG ASN A 37 1.814 -10.172 -8.487 1.00 0.00 C ATOM 550 OD1 ASN A 37 1.801 -11.383 -8.334 1.00 0.00 O ATOM 551 ND2 ASN A 37 2.923 -9.453 -8.631 1.00 0.00 N ATOM 0 H ASN A 37 0.786 -7.406 -10.309 1.00 0.00 H new ATOM 0 HA ASN A 37 0.074 -10.270 -10.420 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.729 -8.334 -8.178 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.209 -9.778 -7.851 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.834 -9.912 -8.617 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.863 -8.442 -8.755 1.00 0.00 H new ATOM 558 N LYS A 38 -1.956 -8.096 -10.798 1.00 0.00 N ATOM 559 CA LYS A 38 -3.337 -7.647 -10.829 1.00 0.00 C ATOM 560 C LYS A 38 -3.847 -7.484 -9.396 1.00 0.00 C ATOM 561 O LYS A 38 -4.905 -8.005 -9.046 1.00 0.00 O ATOM 562 CB LYS A 38 -4.188 -8.591 -11.681 1.00 0.00 C ATOM 563 CG LYS A 38 -4.109 -10.026 -11.155 1.00 0.00 C ATOM 564 CD LYS A 38 -3.019 -10.816 -11.881 1.00 0.00 C ATOM 565 CE LYS A 38 -3.207 -12.321 -11.680 1.00 0.00 C ATOM 566 NZ LYS A 38 -2.754 -12.725 -10.330 1.00 0.00 N ATOM 0 H LYS A 38 -1.374 -7.735 -11.554 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.410 -6.670 -11.307 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.225 -8.255 -11.677 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.847 -8.560 -12.716 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.903 -10.014 -10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.071 -10.520 -11.289 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.043 -10.582 -12.945 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.039 -10.516 -11.510 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.257 -12.583 -11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.645 -12.868 -12.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.889 -13.749 -10.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.746 -12.493 -10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.308 -12.217 -9.611 1.00 0.00 H new ATOM 580 N ILE A 39 -3.071 -6.757 -8.605 1.00 0.00 N ATOM 581 CA ILE A 39 -3.431 -6.519 -7.217 1.00 0.00 C ATOM 582 C ILE A 39 -4.228 -5.216 -7.119 1.00 0.00 C ATOM 583 O ILE A 39 -4.063 -4.319 -7.944 1.00 0.00 O ATOM 584 CB ILE A 39 -2.187 -6.547 -6.328 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.683 -7.978 -6.135 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.450 -5.846 -4.994 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.431 -8.005 -5.255 1.00 0.00 C ATOM 0 H ILE A 39 -2.195 -6.325 -8.899 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.075 -7.317 -6.848 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.395 -5.993 -6.831 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.465 -8.584 -5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.460 -8.423 -7.105 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.549 -5.880 -4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.725 -4.807 -5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.263 -6.350 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.094 -9.034 -5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.357 -7.418 -5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.664 -7.582 -4.278 1.00 0.00 H new ATOM 599 N GLU A 40 -5.076 -5.154 -6.103 1.00 0.00 N ATOM 600 CA GLU A 40 -5.899 -3.977 -5.886 1.00 0.00 C ATOM 601 C GLU A 40 -5.061 -2.847 -5.284 1.00 0.00 C ATOM 602 O GLU A 40 -4.319 -3.061 -4.327 1.00 0.00 O ATOM 603 CB GLU A 40 -7.099 -4.303 -4.994 1.00 0.00 C ATOM 604 CG GLU A 40 -8.413 -3.928 -5.684 1.00 0.00 C ATOM 605 CD GLU A 40 -9.442 -3.427 -4.668 1.00 0.00 C ATOM 606 OE1 GLU A 40 -9.293 -3.793 -3.482 1.00 0.00 O ATOM 607 OE2 GLU A 40 -10.353 -2.690 -5.101 1.00 0.00 O ATOM 0 H GLU A 40 -5.211 -5.900 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.284 -3.645 -6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.100 -5.366 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.013 -3.764 -4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.228 -3.156 -6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.811 -4.794 -6.213 1.00 0.00 H new ATOM 614 N PHE A 41 -5.208 -1.668 -5.871 1.00 0.00 N ATOM 615 CA PHE A 41 -4.473 -0.504 -5.405 1.00 0.00 C ATOM 616 C PHE A 41 -4.828 0.735 -6.231 1.00 0.00 C ATOM 617 O PHE A 41 -5.607 0.651 -7.179 1.00 0.00 O ATOM 618 CB PHE A 41 -2.986 -0.813 -5.584 1.00 0.00 C ATOM 619 CG PHE A 41 -2.475 -0.612 -7.012 1.00 0.00 C ATOM 620 CD1 PHE A 41 -2.086 0.622 -7.428 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.412 -1.669 -7.866 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.612 0.808 -8.754 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.938 -1.483 -9.192 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.548 -0.248 -9.608 1.00 0.00 C ATOM 0 H PHE A 41 -5.825 -1.494 -6.665 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.723 -0.298 -4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.410 -0.178 -4.911 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.802 -1.845 -5.285 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.137 1.461 -6.750 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.722 -2.649 -7.536 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.302 1.789 -9.084 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.887 -2.322 -9.870 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.188 -0.106 -10.616 1.00 0.00 H new ATOM 634 N GLU A 42 -4.238 1.855 -5.841 1.00 0.00 N ATOM 635 CA GLU A 42 -4.482 3.109 -6.534 1.00 0.00 C ATOM 636 C GLU A 42 -3.311 4.071 -6.318 1.00 0.00 C ATOM 637 O GLU A 42 -2.659 4.036 -5.275 1.00 0.00 O ATOM 638 CB GLU A 42 -5.800 3.739 -6.080 1.00 0.00 C ATOM 639 CG GLU A 42 -5.709 4.216 -4.629 1.00 0.00 C ATOM 640 CD GLU A 42 -6.681 5.368 -4.368 1.00 0.00 C ATOM 641 OE1 GLU A 42 -6.559 6.386 -5.083 1.00 0.00 O ATOM 642 OE2 GLU A 42 -7.524 5.205 -3.460 1.00 0.00 O ATOM 0 H GLU A 42 -3.592 1.921 -5.054 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.565 2.902 -7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.047 4.580 -6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.607 3.013 -6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.932 3.388 -3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.691 4.538 -4.412 1.00 0.00 H new ATOM 649 N GLU A 43 -3.081 4.906 -7.320 1.00 0.00 N ATOM 650 CA GLU A 43 -2.001 5.876 -7.252 1.00 0.00 C ATOM 651 C GLU A 43 -2.524 7.219 -6.739 1.00 0.00 C ATOM 652 O GLU A 43 -2.921 8.076 -7.526 1.00 0.00 O ATOM 653 CB GLU A 43 -1.323 6.036 -8.614 1.00 0.00 C ATOM 654 CG GLU A 43 -0.355 4.882 -8.885 1.00 0.00 C ATOM 655 CD GLU A 43 -0.255 4.590 -10.383 1.00 0.00 C ATOM 656 OE1 GLU A 43 -1.222 4.002 -10.912 1.00 0.00 O ATOM 657 OE2 GLU A 43 0.787 4.962 -10.966 1.00 0.00 O ATOM 0 H GLU A 43 -3.624 4.931 -8.183 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.252 5.509 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.079 6.073 -9.398 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.784 6.983 -8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.631 5.130 -8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.692 3.989 -8.359 1.00 0.00 H new ATOM 664 N VAL A 44 -2.507 7.359 -5.421 1.00 0.00 N ATOM 665 CA VAL A 44 -2.975 8.583 -4.793 1.00 0.00 C ATOM 666 C VAL A 44 -1.947 9.693 -5.022 1.00 0.00 C ATOM 667 O VAL A 44 -1.039 9.879 -4.213 1.00 0.00 O ATOM 668 CB VAL A 44 -3.266 8.333 -3.312 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.671 9.629 -2.607 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.338 7.256 -3.138 1.00 0.00 C ATOM 0 H VAL A 44 -2.177 6.645 -4.771 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.912 8.910 -5.243 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.349 7.971 -2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.872 9.424 -1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.862 10.355 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.568 10.033 -3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.526 7.098 -2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.259 7.577 -3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.995 6.325 -3.588 1.00 0.00 H new ATOM 680 N ASP A 45 -2.125 10.403 -6.127 1.00 0.00 N ATOM 681 CA ASP A 45 -1.225 11.490 -6.472 1.00 0.00 C ATOM 682 C ASP A 45 -1.234 12.529 -5.349 1.00 0.00 C ATOM 683 O ASP A 45 -2.127 13.374 -5.288 1.00 0.00 O ATOM 684 CB ASP A 45 -1.667 12.183 -7.762 1.00 0.00 C ATOM 685 CG ASP A 45 -0.629 13.123 -8.379 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.182 13.664 -7.597 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.671 13.278 -9.619 1.00 0.00 O ATOM 0 H ASP A 45 -2.880 10.246 -6.795 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.228 11.071 -6.612 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.926 11.420 -8.496 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.575 12.751 -7.559 1.00 0.00 H new ATOM 692 N ILE A 46 -0.231 12.434 -4.489 1.00 0.00 N ATOM 693 CA ILE A 46 -0.112 13.356 -3.373 1.00 0.00 C ATOM 694 C ILE A 46 0.356 14.718 -3.889 1.00 0.00 C ATOM 695 O ILE A 46 0.072 15.748 -3.279 1.00 0.00 O ATOM 696 CB ILE A 46 0.789 12.768 -2.286 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.219 12.583 -2.799 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.205 11.466 -1.734 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.151 12.129 -1.675 1.00 0.00 C ATOM 0 H ILE A 46 0.507 11.732 -4.543 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.083 13.510 -2.902 1.00 0.00 H new ATOM 0 HB ILE A 46 0.833 13.477 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.228 11.847 -3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.582 13.520 -3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.865 11.069 -0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.778 11.661 -1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.111 10.739 -2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.160 12.005 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.158 12.878 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.799 11.179 -1.272 1.00 0.00 H new ATOM 711 N THR A 47 1.064 14.680 -5.008 1.00 0.00 N ATOM 712 CA THR A 47 1.574 15.899 -5.613 1.00 0.00 C ATOM 713 C THR A 47 0.421 16.835 -5.978 1.00 0.00 C ATOM 714 O THR A 47 0.456 18.023 -5.659 1.00 0.00 O ATOM 715 CB THR A 47 2.440 15.505 -6.811 1.00 0.00 C ATOM 716 OG1 THR A 47 3.776 15.624 -6.328 1.00 0.00 O ATOM 717 CG2 THR A 47 2.364 16.525 -7.949 1.00 0.00 C ATOM 0 H THR A 47 1.297 13.824 -5.512 1.00 0.00 H new ATOM 0 HA THR A 47 2.196 16.458 -4.914 1.00 0.00 H new ATOM 0 HB THR A 47 2.128 14.527 -7.178 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.403 15.542 -7.077 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.997 16.197 -8.774 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.333 16.610 -8.293 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.708 17.496 -7.591 1.00 0.00 H new ATOM 725 N MET A 48 -0.574 16.266 -6.643 1.00 0.00 N ATOM 726 CA MET A 48 -1.736 17.035 -7.055 1.00 0.00 C ATOM 727 C MET A 48 -2.698 17.245 -5.885 1.00 0.00 C ATOM 728 O MET A 48 -3.230 18.339 -5.702 1.00 0.00 O ATOM 729 CB MET A 48 -2.459 16.301 -8.186 1.00 0.00 C ATOM 730 CG MET A 48 -1.575 16.201 -9.430 1.00 0.00 C ATOM 731 SD MET A 48 -1.814 17.636 -10.465 1.00 0.00 S ATOM 732 CE MET A 48 -0.486 17.399 -11.634 1.00 0.00 C ATOM 0 H MET A 48 -0.599 15.281 -6.907 1.00 0.00 H new ATOM 0 HA MET A 48 -1.398 18.011 -7.402 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.740 15.301 -7.854 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.382 16.826 -8.433 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.528 16.124 -9.137 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.818 15.296 -9.987 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.490 18.213 -12.359 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.467 17.388 -11.105 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.623 16.451 -12.153 1.00 0.00 H new ATOM 742 N SER A 49 -2.892 16.180 -5.121 1.00 0.00 N ATOM 743 CA SER A 49 -3.781 16.234 -3.973 1.00 0.00 C ATOM 744 C SER A 49 -2.977 16.510 -2.701 1.00 0.00 C ATOM 745 O SER A 49 -2.568 15.581 -2.007 1.00 0.00 O ATOM 746 CB SER A 49 -4.573 14.934 -3.828 1.00 0.00 C ATOM 747 OG SER A 49 -5.343 14.645 -4.992 1.00 0.00 O ATOM 0 H SER A 49 -2.449 15.274 -5.275 1.00 0.00 H new ATOM 0 HA SER A 49 -4.492 17.045 -4.129 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.886 14.110 -3.634 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.234 15.007 -2.965 1.00 0.00 H new ATOM 0 HG SER A 49 -5.833 13.806 -4.860 1.00 0.00 H new ATOM 753 N GLU A 50 -2.773 17.792 -2.434 1.00 0.00 N ATOM 754 CA GLU A 50 -2.025 18.202 -1.258 1.00 0.00 C ATOM 755 C GLU A 50 -2.573 17.506 -0.011 1.00 0.00 C ATOM 756 O GLU A 50 -1.822 16.884 0.738 1.00 0.00 O ATOM 757 CB GLU A 50 -2.052 19.723 -1.094 1.00 0.00 C ATOM 758 CG GLU A 50 -1.192 20.162 0.093 1.00 0.00 C ATOM 759 CD GLU A 50 -0.438 21.455 -0.225 1.00 0.00 C ATOM 760 OE1 GLU A 50 -1.075 22.525 -0.110 1.00 0.00 O ATOM 761 OE2 GLU A 50 0.756 21.345 -0.575 1.00 0.00 O ATOM 0 H GLU A 50 -3.113 18.560 -3.012 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.985 17.902 -1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.689 20.197 -2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.079 20.058 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.824 20.311 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.481 19.374 0.343 1.00 0.00 H new ATOM 768 N GLU A 51 -3.879 17.635 0.174 1.00 0.00 N ATOM 769 CA GLU A 51 -4.537 17.026 1.317 1.00 0.00 C ATOM 770 C GLU A 51 -4.022 15.600 1.528 1.00 0.00 C ATOM 771 O GLU A 51 -3.618 15.240 2.633 1.00 0.00 O ATOM 772 CB GLU A 51 -6.057 17.041 1.147 1.00 0.00 C ATOM 773 CG GLU A 51 -6.761 16.905 2.499 1.00 0.00 C ATOM 774 CD GLU A 51 -8.203 16.425 2.321 1.00 0.00 C ATOM 775 OE1 GLU A 51 -8.370 15.342 1.719 1.00 0.00 O ATOM 776 OE2 GLU A 51 -9.105 17.152 2.790 1.00 0.00 O ATOM 0 H GLU A 51 -4.499 18.153 -0.449 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.298 17.613 2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.364 17.969 0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.361 16.226 0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.215 16.202 3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.755 17.865 3.014 1.00 0.00 H new ATOM 783 N GLN A 52 -4.054 14.828 0.452 1.00 0.00 N ATOM 784 CA GLN A 52 -3.597 13.450 0.506 1.00 0.00 C ATOM 785 C GLN A 52 -2.168 13.387 1.049 1.00 0.00 C ATOM 786 O GLN A 52 -1.854 12.538 1.883 1.00 0.00 O ATOM 787 CB GLN A 52 -3.690 12.788 -0.870 1.00 0.00 C ATOM 788 CG GLN A 52 -5.139 12.738 -1.358 1.00 0.00 C ATOM 789 CD GLN A 52 -5.849 11.486 -0.841 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.465 10.887 0.150 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.904 11.124 -1.565 1.00 0.00 N ATOM 0 H GLN A 52 -4.389 15.131 -0.463 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.248 12.897 1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.081 13.341 -1.585 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.285 11.777 -0.819 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.671 13.627 -1.020 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.160 12.748 -2.448 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.172 11.670 -2.384 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.445 10.301 -1.301 1.00 0.00 H new ATOM 800 N ARG A 53 -1.340 14.295 0.556 1.00 0.00 N ATOM 801 CA ARG A 53 0.048 14.353 0.981 1.00 0.00 C ATOM 802 C ARG A 53 0.132 14.640 2.482 1.00 0.00 C ATOM 803 O ARG A 53 0.612 13.809 3.251 1.00 0.00 O ATOM 804 CB ARG A 53 0.814 15.435 0.218 1.00 0.00 C ATOM 805 CG ARG A 53 2.324 15.196 0.294 1.00 0.00 C ATOM 806 CD ARG A 53 3.058 15.978 -0.796 1.00 0.00 C ATOM 807 NE ARG A 53 3.085 17.418 -0.455 1.00 0.00 N ATOM 808 CZ ARG A 53 3.362 18.393 -1.332 1.00 0.00 C ATOM 809 NH1 ARG A 53 3.637 18.088 -2.608 1.00 0.00 N ATOM 810 NH2 ARG A 53 3.364 19.672 -0.934 1.00 0.00 N ATOM 0 H ARG A 53 -1.604 14.998 -0.135 1.00 0.00 H new ATOM 0 HA ARG A 53 0.501 13.385 0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.496 15.444 -0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.576 16.415 0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.694 15.496 1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.533 14.132 0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.076 15.602 -0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.562 15.832 -1.756 1.00 0.00 H new ATOM 0 HE ARG A 53 2.880 17.685 0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.635 17.114 -2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.848 18.830 -3.276 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.155 19.904 0.037 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.575 20.414 -1.602 1.00 0.00 H new ATOM 824 N GLN A 54 -0.344 15.820 2.853 1.00 0.00 N ATOM 825 CA GLN A 54 -0.329 16.228 4.248 1.00 0.00 C ATOM 826 C GLN A 54 -0.763 15.067 5.145 1.00 0.00 C ATOM 827 O GLN A 54 -0.113 14.776 6.148 1.00 0.00 O ATOM 828 CB GLN A 54 -1.216 17.454 4.470 1.00 0.00 C ATOM 829 CG GLN A 54 -0.732 18.640 3.634 1.00 0.00 C ATOM 830 CD GLN A 54 0.777 18.842 3.790 1.00 0.00 C ATOM 831 OE1 GLN A 54 1.321 18.826 4.882 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.419 19.033 2.642 1.00 0.00 N ATOM 0 H GLN A 54 -0.742 16.506 2.212 1.00 0.00 H new ATOM 0 HA GLN A 54 0.691 16.506 4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.246 17.215 4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.212 17.723 5.526 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.973 18.472 2.584 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.257 19.544 3.941 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.902 19.035 1.763 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.429 19.178 2.640 1.00 0.00 H new ATOM 841 N TRP A 55 -1.859 14.435 4.751 1.00 0.00 N ATOM 842 CA TRP A 55 -2.388 13.312 5.507 1.00 0.00 C ATOM 843 C TRP A 55 -1.241 12.332 5.763 1.00 0.00 C ATOM 844 O TRP A 55 -0.966 11.979 6.908 1.00 0.00 O ATOM 845 CB TRP A 55 -3.572 12.671 4.780 1.00 0.00 C ATOM 846 CG TRP A 55 -4.294 11.597 5.595 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.359 11.745 6.395 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.960 10.194 5.658 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.734 10.546 6.966 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.856 9.573 6.503 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.934 9.474 5.020 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.817 8.203 6.790 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.908 8.106 5.317 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.803 7.466 6.166 1.00 0.00 C ATOM 0 H TRP A 55 -2.395 14.679 3.918 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.782 13.645 6.467 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.286 13.450 4.512 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.217 12.229 3.849 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.861 12.685 6.571 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.512 10.401 7.609 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.223 9.939 4.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.530 7.740 7.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.139 7.506 4.854 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.717 6.404 6.344 1.00 0.00 H new ATOM 865 N MET A 56 -0.603 11.921 4.677 1.00 0.00 N ATOM 866 CA MET A 56 0.507 10.989 4.769 1.00 0.00 C ATOM 867 C MET A 56 1.518 11.443 5.824 1.00 0.00 C ATOM 868 O MET A 56 1.880 10.675 6.714 1.00 0.00 O ATOM 869 CB MET A 56 1.201 10.884 3.409 1.00 0.00 C ATOM 870 CG MET A 56 2.317 9.838 3.442 1.00 0.00 C ATOM 871 SD MET A 56 3.897 10.638 3.666 1.00 0.00 S ATOM 872 CE MET A 56 4.021 11.516 2.117 1.00 0.00 C ATOM 0 H MET A 56 -0.834 12.217 3.729 1.00 0.00 H new ATOM 0 HA MET A 56 0.115 10.015 5.063 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.471 10.618 2.644 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.615 11.854 3.132 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.140 9.131 4.252 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.318 9.266 2.514 1.00 0.00 H new ATOM 0 HE1 MET A 56 5.035 11.897 1.995 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.786 10.839 1.295 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.318 12.349 2.114 1.00 0.00 H new ATOM 882 N TYR A 57 1.946 12.690 5.689 1.00 0.00 N ATOM 883 CA TYR A 57 2.908 13.256 6.619 1.00 0.00 C ATOM 884 C TYR A 57 2.408 13.143 8.061 1.00 0.00 C ATOM 885 O TYR A 57 3.185 13.284 9.004 1.00 0.00 O ATOM 886 CB TYR A 57 3.032 14.735 6.250 1.00 0.00 C ATOM 887 CG TYR A 57 3.981 15.007 5.080 1.00 0.00 C ATOM 888 CD1 TYR A 57 3.983 14.168 3.984 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.834 16.091 5.121 1.00 0.00 C ATOM 890 CE1 TYR A 57 4.876 14.424 2.884 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.727 16.346 4.021 1.00 0.00 C ATOM 892 CZ TYR A 57 5.704 15.500 2.956 1.00 0.00 C ATOM 893 OH TYR A 57 6.547 15.742 1.917 1.00 0.00 O ATOM 0 H TYR A 57 1.644 13.324 4.949 1.00 0.00 H new ATOM 0 HA TYR A 57 3.860 12.728 6.555 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.044 15.121 6.000 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.379 15.289 7.122 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.315 13.320 3.952 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.832 16.748 5.978 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.888 13.775 2.020 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.400 17.190 4.041 1.00 0.00 H new ATOM 0 HH TYR A 57 7.118 14.959 1.770 1.00 0.00 H new ATOM 903 N LYS A 58 1.114 12.890 8.187 1.00 0.00 N ATOM 904 CA LYS A 58 0.501 12.756 9.498 1.00 0.00 C ATOM 905 C LYS A 58 0.444 11.276 9.881 1.00 0.00 C ATOM 906 O LYS A 58 0.226 10.941 11.044 1.00 0.00 O ATOM 907 CB LYS A 58 -0.861 13.452 9.526 1.00 0.00 C ATOM 908 CG LYS A 58 -0.733 14.926 9.134 1.00 0.00 C ATOM 909 CD LYS A 58 -1.482 15.823 10.121 1.00 0.00 C ATOM 910 CE LYS A 58 -1.794 17.184 9.497 1.00 0.00 C ATOM 911 NZ LYS A 58 -0.958 18.240 10.111 1.00 0.00 N ATOM 0 H LYS A 58 0.472 12.774 7.403 1.00 0.00 H new ATOM 0 HA LYS A 58 1.105 13.258 10.254 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.545 12.948 8.842 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.293 13.374 10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.319 15.209 9.107 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.129 15.075 8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.409 15.338 10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.882 15.960 11.021 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.614 17.148 8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.849 17.421 9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.183 19.157 9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.150 18.285 11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.047 18.021 9.957 1.00 0.00 H new ATOM 925 N ASN A 59 0.643 10.431 8.880 1.00 0.00 N ATOM 926 CA ASN A 59 0.617 8.994 9.098 1.00 0.00 C ATOM 927 C ASN A 59 1.993 8.409 8.778 1.00 0.00 C ATOM 928 O ASN A 59 2.093 7.357 8.149 1.00 0.00 O ATOM 929 CB ASN A 59 -0.409 8.318 8.186 1.00 0.00 C ATOM 930 CG ASN A 59 -1.821 8.833 8.471 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.748 8.078 8.713 1.00 0.00 O ATOM 932 ND2 ASN A 59 -1.932 10.158 8.428 1.00 0.00 N ATOM 0 H ASN A 59 0.823 10.713 7.916 1.00 0.00 H new ATOM 0 HA ASN A 59 0.348 8.815 10.139 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.153 8.506 7.143 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.376 7.238 8.333 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.834 10.600 8.604 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.115 10.732 8.219 1.00 0.00 H new ATOM 939 N VAL A 60 3.020 9.117 9.225 1.00 0.00 N ATOM 940 CA VAL A 60 4.387 8.680 8.994 1.00 0.00 C ATOM 941 C VAL A 60 5.279 9.191 10.127 1.00 0.00 C ATOM 942 O VAL A 60 5.431 10.398 10.306 1.00 0.00 O ATOM 943 CB VAL A 60 4.856 9.138 7.611 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.343 8.840 7.410 1.00 0.00 C ATOM 945 CG2 VAL A 60 4.014 8.496 6.507 1.00 0.00 C ATOM 0 H VAL A 60 2.933 9.990 9.746 1.00 0.00 H new ATOM 0 HA VAL A 60 4.446 7.592 8.999 1.00 0.00 H new ATOM 0 HB VAL A 60 4.720 10.218 7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.651 9.175 6.420 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.925 9.365 8.168 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.514 7.767 7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.368 8.838 5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.104 7.411 6.565 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.970 8.781 6.634 1.00 0.00 H new ATOM 955 N PRO A 61 5.861 8.221 10.882 1.00 0.00 N ATOM 956 CA PRO A 61 6.734 8.560 11.993 1.00 0.00 C ATOM 957 C PRO A 61 8.099 9.037 11.492 1.00 0.00 C ATOM 958 O PRO A 61 8.408 8.911 10.308 1.00 0.00 O ATOM 959 CB PRO A 61 6.818 7.293 12.829 1.00 0.00 C ATOM 960 CG PRO A 61 6.370 6.162 11.917 1.00 0.00 C ATOM 961 CD PRO A 61 5.704 6.781 10.699 1.00 0.00 C ATOM 0 HA PRO A 61 6.353 9.390 12.589 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.834 7.127 13.186 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.178 7.362 13.709 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.223 5.553 11.617 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.675 5.504 12.439 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.177 6.445 9.776 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.652 6.502 10.638 1.00 0.00 H new ATOM 969 N PRO A 62 8.900 9.589 12.443 1.00 0.00 N ATOM 970 CA PRO A 62 10.224 10.085 12.110 1.00 0.00 C ATOM 971 C PRO A 62 11.206 8.930 11.904 1.00 0.00 C ATOM 972 O PRO A 62 12.173 9.059 11.153 1.00 0.00 O ATOM 973 CB PRO A 62 10.607 10.991 13.268 1.00 0.00 C ATOM 974 CG PRO A 62 9.691 10.607 14.419 1.00 0.00 C ATOM 975 CD PRO A 62 8.566 9.755 13.854 1.00 0.00 C ATOM 0 HA PRO A 62 10.243 10.634 11.169 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.654 10.856 13.540 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.480 12.040 13.001 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.244 10.055 15.179 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.290 11.498 14.901 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.504 8.793 14.362 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.599 10.243 13.977 1.00 0.00 H new ATOM 983 N GLU A 63 10.926 7.828 12.583 1.00 0.00 N ATOM 984 CA GLU A 63 11.772 6.652 12.484 1.00 0.00 C ATOM 985 C GLU A 63 11.616 6.000 11.109 1.00 0.00 C ATOM 986 O GLU A 63 12.467 5.218 10.689 1.00 0.00 O ATOM 987 CB GLU A 63 11.459 5.655 13.602 1.00 0.00 C ATOM 988 CG GLU A 63 10.368 4.673 13.172 1.00 0.00 C ATOM 989 CD GLU A 63 9.798 3.923 14.378 1.00 0.00 C ATOM 990 OE1 GLU A 63 9.480 4.609 15.373 1.00 0.00 O ATOM 991 OE2 GLU A 63 9.694 2.682 14.277 1.00 0.00 O ATOM 0 H GLU A 63 10.124 7.725 13.205 1.00 0.00 H new ATOM 0 HA GLU A 63 12.810 6.965 12.601 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.362 5.106 13.868 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.138 6.193 14.494 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.569 5.212 12.664 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.777 3.960 12.456 1.00 0.00 H new ATOM 998 N LYS A 64 10.522 6.345 10.446 1.00 0.00 N ATOM 999 CA LYS A 64 10.244 5.803 9.127 1.00 0.00 C ATOM 1000 C LYS A 64 10.649 6.827 8.064 1.00 0.00 C ATOM 1001 O LYS A 64 11.072 6.456 6.970 1.00 0.00 O ATOM 1002 CB LYS A 64 8.783 5.359 9.028 1.00 0.00 C ATOM 1003 CG LYS A 64 8.499 4.194 9.978 1.00 0.00 C ATOM 1004 CD LYS A 64 9.041 2.880 9.412 1.00 0.00 C ATOM 1005 CE LYS A 64 7.963 1.794 9.418 1.00 0.00 C ATOM 1006 NZ LYS A 64 8.560 0.470 9.137 1.00 0.00 N ATOM 0 H LYS A 64 9.818 6.993 10.798 1.00 0.00 H new ATOM 0 HA LYS A 64 10.839 4.907 8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.128 6.196 9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.558 5.061 8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.955 4.392 10.948 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.425 4.108 10.142 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.397 3.038 8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.897 2.551 10.002 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.462 1.776 10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.203 2.023 8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.815 -0.255 9.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.017 0.487 8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.268 0.247 9.865 1.00 0.00 H new ATOM 1020 N LYS A 65 10.504 8.094 8.423 1.00 0.00 N ATOM 1021 CA LYS A 65 10.850 9.173 7.514 1.00 0.00 C ATOM 1022 C LYS A 65 12.140 8.817 6.773 1.00 0.00 C ATOM 1023 O LYS A 65 13.185 8.627 7.394 1.00 0.00 O ATOM 1024 CB LYS A 65 10.920 10.504 8.265 1.00 0.00 C ATOM 1025 CG LYS A 65 9.539 11.159 8.350 1.00 0.00 C ATOM 1026 CD LYS A 65 9.605 12.477 9.123 1.00 0.00 C ATOM 1027 CE LYS A 65 8.289 12.749 9.856 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.401 13.969 10.687 1.00 0.00 N ATOM 0 H LYS A 65 10.152 8.397 9.331 1.00 0.00 H new ATOM 0 HA LYS A 65 10.073 9.299 6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.311 10.339 9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.614 11.175 7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.156 11.341 7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.840 10.481 8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.425 12.441 9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.819 13.296 8.436 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.481 12.867 9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.033 11.896 10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.500 14.139 11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.158 13.843 11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.624 14.783 10.080 1.00 0.00 H new ATOM 1042 N PRO A 66 12.022 8.734 5.420 1.00 0.00 N ATOM 1043 CA PRO A 66 13.166 8.404 4.588 1.00 0.00 C ATOM 1044 C PRO A 66 14.118 9.595 4.467 1.00 0.00 C ATOM 1045 O PRO A 66 14.065 10.522 5.274 1.00 0.00 O ATOM 1046 CB PRO A 66 12.573 7.979 3.254 1.00 0.00 C ATOM 1047 CG PRO A 66 11.156 8.529 3.235 1.00 0.00 C ATOM 1048 CD PRO A 66 10.801 8.952 4.651 1.00 0.00 C ATOM 0 HA PRO A 66 13.776 7.605 5.010 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.157 8.375 2.423 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.572 6.894 3.155 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.085 9.377 2.554 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.458 7.773 2.876 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.492 9.997 4.686 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.974 8.361 5.045 1.00 0.00 H new ATOM 1056 N THR A 67 14.968 9.532 3.452 1.00 0.00 N ATOM 1057 CA THR A 67 15.931 10.594 3.215 1.00 0.00 C ATOM 1058 C THR A 67 16.532 11.073 4.537 1.00 0.00 C ATOM 1059 O THR A 67 17.478 10.474 5.046 1.00 0.00 O ATOM 1060 CB THR A 67 15.227 11.703 2.430 1.00 0.00 C ATOM 1061 OG1 THR A 67 14.935 11.105 1.170 1.00 0.00 O ATOM 1062 CG2 THR A 67 16.166 12.861 2.084 1.00 0.00 C ATOM 0 H THR A 67 15.010 8.762 2.784 1.00 0.00 H new ATOM 0 HA THR A 67 16.773 10.240 2.621 1.00 0.00 H new ATOM 0 HB THR A 67 14.384 12.079 3.010 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.778 11.806 0.504 1.00 0.00 H new ATOM 0 HG21 THR A 67 15.617 13.621 1.527 1.00 0.00 H new ATOM 0 HG22 THR A 67 16.559 13.297 3.002 1.00 0.00 H new ATOM 0 HG23 THR A 67 16.991 12.491 1.476 1.00 0.00 H new ATOM 1070 N GLN A 68 15.959 12.150 5.056 1.00 0.00 N ATOM 1071 CA GLN A 68 16.427 12.716 6.309 1.00 0.00 C ATOM 1072 C GLN A 68 15.282 13.429 7.030 1.00 0.00 C ATOM 1073 O GLN A 68 15.046 13.194 8.214 1.00 0.00 O ATOM 1074 CB GLN A 68 17.604 13.666 6.076 1.00 0.00 C ATOM 1075 CG GLN A 68 17.176 14.874 5.241 1.00 0.00 C ATOM 1076 CD GLN A 68 18.393 15.670 4.764 1.00 0.00 C ATOM 1077 OE1 GLN A 68 19.319 15.944 5.510 1.00 0.00 O ATOM 1078 NE2 GLN A 68 18.340 16.024 3.483 1.00 0.00 N ATOM 0 H GLN A 68 15.175 12.645 4.631 1.00 0.00 H new ATOM 0 HA GLN A 68 16.779 11.902 6.943 1.00 0.00 H new ATOM 0 HB2 GLN A 68 17.999 14.003 7.034 1.00 0.00 H new ATOM 0 HB3 GLN A 68 18.409 13.135 5.568 1.00 0.00 H new ATOM 0 HG2 GLN A 68 16.596 14.539 4.381 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.525 15.518 5.833 1.00 0.00 H new ATOM 0 HE21 GLN A 68 17.535 15.762 2.914 1.00 0.00 H new ATOM 0 HE22 GLN A 68 19.105 16.558 3.069 1.00 0.00 H new ATOM 1087 N GLY A 69 14.599 14.287 6.286 1.00 0.00 N ATOM 1088 CA GLY A 69 13.484 15.036 6.839 1.00 0.00 C ATOM 1089 C GLY A 69 12.270 14.980 5.909 1.00 0.00 C ATOM 1090 O GLY A 69 12.419 14.839 4.696 1.00 0.00 O ATOM 0 H GLY A 69 14.797 14.480 5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.218 14.631 7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.780 16.074 6.995 1.00 0.00 H new ATOM 1094 N ASN A 70 11.096 15.093 6.512 1.00 0.00 N ATOM 1095 CA ASN A 70 9.858 15.056 5.753 1.00 0.00 C ATOM 1096 C ASN A 70 9.730 13.699 5.059 1.00 0.00 C ATOM 1097 O ASN A 70 10.685 13.215 4.454 1.00 0.00 O ATOM 1098 CB ASN A 70 9.841 16.142 4.675 1.00 0.00 C ATOM 1099 CG ASN A 70 10.624 17.376 5.127 1.00 0.00 C ATOM 1100 OD1 ASN A 70 11.842 17.424 5.075 1.00 0.00 O ATOM 1101 ND2 ASN A 70 9.859 18.369 5.573 1.00 0.00 N ATOM 0 H ASN A 70 10.976 15.210 7.518 1.00 0.00 H new ATOM 0 HA ASN A 70 9.033 15.222 6.446 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.272 15.751 3.753 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.811 16.422 4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.287 19.236 5.898 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.845 18.263 5.590 1.00 0.00 H new ATOM 1108 N PRO A 71 8.511 13.108 5.174 1.00 0.00 N ATOM 1109 CA PRO A 71 8.245 11.815 4.565 1.00 0.00 C ATOM 1110 C PRO A 71 8.077 11.948 3.050 1.00 0.00 C ATOM 1111 O PRO A 71 7.429 12.878 2.572 1.00 0.00 O ATOM 1112 CB PRO A 71 6.994 11.303 5.259 1.00 0.00 C ATOM 1113 CG PRO A 71 6.342 12.520 5.895 1.00 0.00 C ATOM 1114 CD PRO A 71 7.356 13.651 5.884 1.00 0.00 C ATOM 0 HA PRO A 71 9.069 11.113 4.691 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.320 10.826 4.547 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.243 10.555 6.012 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.446 12.805 5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.030 12.297 6.915 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.960 14.533 5.380 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.621 13.955 6.897 1.00 0.00 H new ATOM 1122 N LEU A 72 8.672 11.003 2.336 1.00 0.00 N ATOM 1123 CA LEU A 72 8.597 11.002 0.885 1.00 0.00 C ATOM 1124 C LEU A 72 8.022 9.667 0.409 1.00 0.00 C ATOM 1125 O LEU A 72 8.072 8.673 1.132 1.00 0.00 O ATOM 1126 CB LEU A 72 9.961 11.336 0.277 1.00 0.00 C ATOM 1127 CG LEU A 72 10.538 12.707 0.637 1.00 0.00 C ATOM 1128 CD1 LEU A 72 12.024 12.785 0.283 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.732 13.831 -0.017 1.00 0.00 C ATOM 0 H LEU A 72 9.208 10.233 2.736 1.00 0.00 H new ATOM 0 HA LEU A 72 7.920 11.783 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.673 10.571 0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.879 11.272 -0.808 1.00 0.00 H new ATOM 0 HG LEU A 72 10.456 12.840 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.410 13.769 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.570 12.020 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.152 12.622 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.164 14.794 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.759 13.715 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.699 13.786 0.328 1.00 0.00 H new ATOM 1141 N PRO A 73 7.474 9.687 -0.836 1.00 0.00 N ATOM 1142 CA PRO A 73 6.890 8.490 -1.416 1.00 0.00 C ATOM 1143 C PRO A 73 7.978 7.516 -1.873 1.00 0.00 C ATOM 1144 O PRO A 73 9.155 7.870 -1.917 1.00 0.00 O ATOM 1145 CB PRO A 73 6.023 8.991 -2.560 1.00 0.00 C ATOM 1146 CG PRO A 73 6.513 10.395 -2.871 1.00 0.00 C ATOM 1147 CD PRO A 73 7.397 10.847 -1.720 1.00 0.00 C ATOM 0 HA PRO A 73 6.294 7.923 -0.701 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.115 8.343 -3.432 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.970 8.998 -2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.071 10.406 -3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.670 11.075 -2.994 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.385 11.143 -2.072 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.970 11.709 -1.207 1.00 0.00 H new ATOM 1155 N PRO A 74 7.534 6.276 -2.211 1.00 0.00 N ATOM 1156 CA PRO A 74 6.122 5.939 -2.132 1.00 0.00 C ATOM 1157 C PRO A 74 5.689 5.736 -0.678 1.00 0.00 C ATOM 1158 O PRO A 74 6.527 5.565 0.205 1.00 0.00 O ATOM 1159 CB PRO A 74 5.968 4.686 -2.978 1.00 0.00 C ATOM 1160 CG PRO A 74 7.366 4.104 -3.119 1.00 0.00 C ATOM 1161 CD PRO A 74 8.360 5.166 -2.677 1.00 0.00 C ATOM 0 HA PRO A 74 5.477 6.735 -2.504 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.294 3.973 -2.502 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.543 4.923 -3.953 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.469 3.207 -2.509 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.555 3.810 -4.152 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.009 4.795 -1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.006 5.471 -3.500 1.00 0.00 H new ATOM 1169 N GLN A 75 4.379 5.762 -0.476 1.00 0.00 N ATOM 1170 CA GLN A 75 3.824 5.583 0.854 1.00 0.00 C ATOM 1171 C GLN A 75 2.551 4.736 0.789 1.00 0.00 C ATOM 1172 O GLN A 75 1.444 5.266 0.876 1.00 0.00 O ATOM 1173 CB GLN A 75 3.551 6.932 1.521 1.00 0.00 C ATOM 1174 CG GLN A 75 4.855 7.690 1.780 1.00 0.00 C ATOM 1175 CD GLN A 75 5.343 7.469 3.213 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.576 7.189 4.120 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.656 7.609 3.365 1.00 0.00 N ATOM 0 H GLN A 75 3.687 5.904 -1.212 1.00 0.00 H new ATOM 0 HA GLN A 75 4.557 5.055 1.464 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.898 7.531 0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.024 6.776 2.462 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.619 7.358 1.077 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.702 8.755 1.604 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.240 7.844 2.563 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.080 7.481 4.284 1.00 0.00 H new ATOM 1186 N ILE A 76 2.751 3.435 0.636 1.00 0.00 N ATOM 1187 CA ILE A 76 1.633 2.511 0.558 1.00 0.00 C ATOM 1188 C ILE A 76 0.736 2.697 1.783 1.00 0.00 C ATOM 1189 O ILE A 76 1.229 2.870 2.897 1.00 0.00 O ATOM 1190 CB ILE A 76 2.135 1.077 0.375 1.00 0.00 C ATOM 1191 CG1 ILE A 76 2.956 0.943 -0.909 1.00 0.00 C ATOM 1192 CG2 ILE A 76 0.976 0.080 0.421 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.439 0.736 -0.593 1.00 0.00 C ATOM 0 H ILE A 76 3.670 2.999 0.564 1.00 0.00 H new ATOM 0 HA ILE A 76 1.023 2.725 -0.319 1.00 0.00 H new ATOM 0 HB ILE A 76 2.798 0.839 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.585 0.103 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.832 1.838 -1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.361 -0.931 0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.471 0.153 1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.269 0.307 -0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.000 0.644 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.813 1.589 -0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.562 -0.173 -0.004 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.565 2.654 1.537 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.535 2.815 2.606 1.00 0.00 C ATOM 1207 C PHE A 77 -2.805 2.010 2.321 1.00 0.00 C ATOM 1208 O PHE A 77 -3.615 2.399 1.481 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.891 4.302 2.667 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.915 5.143 3.492 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.796 4.928 4.830 1.00 0.00 C ATOM 1212 CD2 PHE A 77 -0.166 6.104 2.889 1.00 0.00 C ATOM 1213 CE1 PHE A 77 0.110 5.708 5.596 1.00 0.00 C ATOM 1214 CE2 PHE A 77 0.740 6.884 3.655 1.00 0.00 C ATOM 1215 CZ PHE A 77 0.859 6.670 4.993 1.00 0.00 C ATOM 0 H PHE A 77 -0.970 2.510 0.612 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.114 2.458 3.546 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.928 4.698 1.652 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.891 4.409 3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.390 4.164 5.309 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.260 6.274 1.827 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.204 5.537 6.658 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.335 7.647 3.175 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.548 7.263 5.576 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.938 0.903 3.037 1.00 0.00 N ATOM 1226 CA ASN A 78 -4.096 0.041 2.872 1.00 0.00 C ATOM 1227 C ASN A 78 -5.295 0.660 3.592 1.00 0.00 C ATOM 1228 O ASN A 78 -5.482 0.449 4.789 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.843 -1.342 3.477 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.939 -2.328 3.068 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -6.123 -2.076 3.216 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.479 -3.462 2.548 1.00 0.00 N ATOM 0 H ASN A 78 -2.263 0.583 3.732 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.290 -0.062 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.873 -1.715 3.149 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.804 -1.266 4.564 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.131 -4.185 2.245 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.474 -3.609 2.452 1.00 0.00 H new ATOM 1239 N GLY A 79 -6.078 1.412 2.831 1.00 0.00 N ATOM 1240 CA GLY A 79 -7.254 2.063 3.382 1.00 0.00 C ATOM 1241 C GLY A 79 -6.863 3.275 4.230 1.00 0.00 C ATOM 1242 O GLY A 79 -6.769 4.390 3.719 1.00 0.00 O ATOM 0 H GLY A 79 -5.921 1.584 1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.912 2.378 2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.815 1.354 3.991 1.00 0.00 H new ATOM 1246 N ASP A 80 -6.647 3.016 5.511 1.00 0.00 N ATOM 1247 CA ASP A 80 -6.268 4.072 6.434 1.00 0.00 C ATOM 1248 C ASP A 80 -5.207 3.543 7.401 1.00 0.00 C ATOM 1249 O ASP A 80 -4.942 4.155 8.434 1.00 0.00 O ATOM 1250 CB ASP A 80 -7.469 4.538 7.260 1.00 0.00 C ATOM 1251 CG ASP A 80 -8.141 3.447 8.097 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -7.398 2.572 8.590 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -9.382 3.514 8.225 1.00 0.00 O ATOM 0 H ASP A 80 -6.727 2.090 5.932 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.884 4.908 5.850 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.145 5.338 7.926 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.211 4.966 6.586 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.628 2.410 7.031 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.601 1.791 7.852 1.00 0.00 C ATOM 1260 C ARG A 81 -2.228 1.951 7.196 1.00 0.00 C ATOM 1261 O ARG A 81 -2.033 1.547 6.051 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.887 0.303 8.063 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.897 -0.048 9.552 1.00 0.00 C ATOM 1264 CD ARG A 81 -4.233 -1.526 9.765 1.00 0.00 C ATOM 1265 NE ARG A 81 -5.188 -1.671 10.885 1.00 0.00 N ATOM 1266 CZ ARG A 81 -5.735 -2.836 11.260 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -5.425 -3.963 10.605 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -6.593 -2.873 12.289 1.00 0.00 N ATOM 0 H ARG A 81 -4.851 1.904 6.174 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.605 2.291 8.820 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.849 0.048 7.619 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.131 -0.292 7.550 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.923 0.174 9.988 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.627 0.573 10.071 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.661 -1.945 8.854 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.323 -2.087 9.977 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.447 -0.832 11.405 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.773 -3.934 9.821 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.841 -4.850 10.890 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.830 -2.015 12.787 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.009 -3.759 12.574 1.00 0.00 H new ATOM 1282 N TYR A 82 -1.313 2.542 7.949 1.00 0.00 N ATOM 1283 CA TYR A 82 0.036 2.761 7.455 1.00 0.00 C ATOM 1284 C TYR A 82 0.743 1.432 7.186 1.00 0.00 C ATOM 1285 O TYR A 82 1.069 0.698 8.118 1.00 0.00 O ATOM 1286 CB TYR A 82 0.778 3.503 8.569 1.00 0.00 C ATOM 1287 CG TYR A 82 2.205 3.913 8.200 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.558 4.067 6.875 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.139 4.127 9.193 1.00 0.00 C ATOM 1290 CE1 TYR A 82 3.901 4.453 6.528 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.483 4.513 8.846 1.00 0.00 C ATOM 1292 CZ TYR A 82 4.797 4.657 7.531 1.00 0.00 C ATOM 1293 OH TYR A 82 6.066 5.021 7.203 1.00 0.00 O ATOM 0 H TYR A 82 -1.479 2.876 8.898 1.00 0.00 H new ATOM 0 HA TYR A 82 0.016 3.322 6.520 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.212 4.395 8.837 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.811 2.869 9.455 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.827 3.898 6.098 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.863 4.005 10.230 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.190 4.578 5.495 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.224 4.684 9.613 1.00 0.00 H new ATOM 0 HH TYR A 82 6.054 5.532 6.367 1.00 0.00 H new ATOM 1303 N CYS A 83 0.961 1.162 5.907 1.00 0.00 N ATOM 1304 CA CYS A 83 1.624 -0.066 5.503 1.00 0.00 C ATOM 1305 C CYS A 83 3.129 0.110 5.711 1.00 0.00 C ATOM 1306 O CYS A 83 3.698 -0.443 6.652 1.00 0.00 O ATOM 1307 CB CYS A 83 1.288 -0.441 4.058 1.00 0.00 C ATOM 1308 SG CYS A 83 -0.408 -1.123 3.967 1.00 0.00 S ATOM 0 H CYS A 83 0.690 1.773 5.137 1.00 0.00 H new ATOM 0 HA CYS A 83 1.268 -0.893 6.116 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.371 0.437 3.417 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.004 -1.175 3.688 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.684 -1.436 2.736 1.00 0.00 H new ATOM 1314 N GLY A 84 3.732 0.882 4.819 1.00 0.00 N ATOM 1315 CA GLY A 84 5.160 1.138 4.893 1.00 0.00 C ATOM 1316 C GLY A 84 5.690 1.678 3.564 1.00 0.00 C ATOM 1317 O GLY A 84 5.137 1.384 2.505 1.00 0.00 O ATOM 0 H GLY A 84 3.257 1.339 4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.364 1.855 5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.685 0.218 5.151 1.00 0.00 H new ATOM 1321 N ASP A 85 6.757 2.457 3.661 1.00 0.00 N ATOM 1322 CA ASP A 85 7.369 3.041 2.480 1.00 0.00 C ATOM 1323 C ASP A 85 8.002 1.932 1.638 1.00 0.00 C ATOM 1324 O ASP A 85 7.989 0.766 2.030 1.00 0.00 O ATOM 1325 CB ASP A 85 8.470 4.032 2.861 1.00 0.00 C ATOM 1326 CG ASP A 85 9.640 3.430 3.641 1.00 0.00 C ATOM 1327 OD1 ASP A 85 9.415 2.380 4.282 1.00 0.00 O ATOM 1328 OD2 ASP A 85 10.734 4.032 3.579 1.00 0.00 O ATOM 0 H ASP A 85 7.214 2.698 4.541 1.00 0.00 H new ATOM 0 HA ASP A 85 6.592 3.564 1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.857 4.490 1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.029 4.831 3.457 1.00 0.00 H new ATOM 1333 N TYR A 86 8.541 2.334 0.496 1.00 0.00 N ATOM 1334 CA TYR A 86 9.178 1.388 -0.405 1.00 0.00 C ATOM 1335 C TYR A 86 10.095 0.433 0.362 1.00 0.00 C ATOM 1336 O TYR A 86 10.087 -0.772 0.116 1.00 0.00 O ATOM 1337 CB TYR A 86 10.024 2.226 -1.366 1.00 0.00 C ATOM 1338 CG TYR A 86 11.044 1.414 -2.167 1.00 0.00 C ATOM 1339 CD1 TYR A 86 10.666 0.798 -3.343 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.342 1.296 -1.713 1.00 0.00 C ATOM 1341 CE1 TYR A 86 11.625 0.034 -4.097 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.302 0.532 -2.467 1.00 0.00 C ATOM 1343 CZ TYR A 86 12.896 -0.062 -3.622 1.00 0.00 C ATOM 1344 OH TYR A 86 13.802 -0.784 -4.333 1.00 0.00 O ATOM 0 H TYR A 86 8.550 3.302 0.174 1.00 0.00 H new ATOM 0 HA TYR A 86 8.430 0.786 -0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.362 2.744 -2.060 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.551 2.992 -0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.650 0.889 -3.698 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.638 1.777 -0.792 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.342 -0.452 -5.019 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.321 0.433 -2.124 1.00 0.00 H new ATOM 0 HH TYR A 86 14.113 -1.541 -3.794 1.00 0.00 H new ATOM 1354 N ASP A 87 10.863 1.007 1.277 1.00 0.00 N ATOM 1355 CA ASP A 87 11.783 0.222 2.081 1.00 0.00 C ATOM 1356 C ASP A 87 11.082 -1.054 2.552 1.00 0.00 C ATOM 1357 O ASP A 87 11.567 -2.158 2.312 1.00 0.00 O ATOM 1358 CB ASP A 87 12.233 0.998 3.320 1.00 0.00 C ATOM 1359 CG ASP A 87 13.313 2.052 3.066 1.00 0.00 C ATOM 1360 OD1 ASP A 87 14.188 1.774 2.219 1.00 0.00 O ATOM 1361 OD2 ASP A 87 13.238 3.111 3.726 1.00 0.00 O ATOM 0 H ASP A 87 10.866 2.007 1.479 1.00 0.00 H new ATOM 0 HA ASP A 87 12.652 -0.011 1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.364 1.488 3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.605 0.289 4.059 1.00 0.00 H new ATOM 1366 N SER A 88 9.950 -0.859 3.214 1.00 0.00 N ATOM 1367 CA SER A 88 9.177 -1.981 3.720 1.00 0.00 C ATOM 1368 C SER A 88 8.825 -2.933 2.576 1.00 0.00 C ATOM 1369 O SER A 88 9.181 -4.109 2.610 1.00 0.00 O ATOM 1370 CB SER A 88 7.905 -1.500 4.422 1.00 0.00 C ATOM 1371 OG SER A 88 8.119 -1.262 5.811 1.00 0.00 O ATOM 0 H SER A 88 9.550 0.058 3.411 1.00 0.00 H new ATOM 0 HA SER A 88 9.785 -2.513 4.452 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.553 -0.584 3.947 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.119 -2.245 4.299 1.00 0.00 H new ATOM 0 HG SER A 88 7.284 -0.955 6.223 1.00 0.00 H new ATOM 1377 N PHE A 89 8.129 -2.388 1.588 1.00 0.00 N ATOM 1378 CA PHE A 89 7.724 -3.174 0.435 1.00 0.00 C ATOM 1379 C PHE A 89 8.849 -4.110 -0.012 1.00 0.00 C ATOM 1380 O PHE A 89 8.652 -5.320 -0.110 1.00 0.00 O ATOM 1381 CB PHE A 89 7.418 -2.188 -0.693 1.00 0.00 C ATOM 1382 CG PHE A 89 6.998 -2.854 -2.005 1.00 0.00 C ATOM 1383 CD1 PHE A 89 5.709 -3.249 -2.185 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.914 -3.051 -2.991 1.00 0.00 C ATOM 1385 CE1 PHE A 89 5.319 -3.868 -3.402 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.524 -3.670 -4.209 1.00 0.00 C ATOM 1387 CZ PHE A 89 6.235 -4.065 -4.389 1.00 0.00 C ATOM 0 H PHE A 89 7.836 -1.411 1.563 1.00 0.00 H new ATOM 0 HA PHE A 89 6.857 -3.785 0.687 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.624 -1.516 -0.368 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.301 -1.575 -0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.982 -3.092 -1.402 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.937 -2.737 -2.848 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.296 -4.182 -3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.251 -3.827 -4.992 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.938 -4.535 -5.315 1.00 0.00 H new ATOM 1397 N PHE A 90 10.003 -3.514 -0.272 1.00 0.00 N ATOM 1398 CA PHE A 90 11.159 -4.279 -0.707 1.00 0.00 C ATOM 1399 C PHE A 90 11.603 -5.265 0.376 1.00 0.00 C ATOM 1400 O PHE A 90 11.909 -6.420 0.081 1.00 0.00 O ATOM 1401 CB PHE A 90 12.288 -3.278 -0.962 1.00 0.00 C ATOM 1402 CG PHE A 90 13.482 -3.866 -1.716 1.00 0.00 C ATOM 1403 CD1 PHE A 90 14.304 -4.757 -1.100 1.00 0.00 C ATOM 1404 CD2 PHE A 90 13.722 -3.498 -3.003 1.00 0.00 C ATOM 1405 CE1 PHE A 90 15.413 -5.303 -1.800 1.00 0.00 C ATOM 1406 CE2 PHE A 90 14.830 -4.043 -3.703 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.652 -4.935 -3.087 1.00 0.00 C ATOM 0 H PHE A 90 10.162 -2.510 -0.190 1.00 0.00 H new ATOM 0 HA PHE A 90 10.912 -4.850 -1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.892 -2.436 -1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.633 -2.884 -0.006 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.114 -5.050 -0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 90 13.069 -2.791 -3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 90 16.066 -6.010 -1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 90 15.021 -3.750 -4.725 1.00 0.00 H new ATOM 0 HZ PHE A 90 16.494 -5.351 -3.620 1.00 0.00 H new ATOM 1417 N GLU A 91 11.623 -4.774 1.606 1.00 0.00 N ATOM 1418 CA GLU A 91 12.024 -5.598 2.734 1.00 0.00 C ATOM 1419 C GLU A 91 11.156 -6.856 2.808 1.00 0.00 C ATOM 1420 O GLU A 91 11.522 -7.829 3.465 1.00 0.00 O ATOM 1421 CB GLU A 91 11.955 -4.807 4.042 1.00 0.00 C ATOM 1422 CG GLU A 91 13.353 -4.583 4.621 1.00 0.00 C ATOM 1423 CD GLU A 91 13.303 -4.463 6.146 1.00 0.00 C ATOM 1424 OE1 GLU A 91 12.428 -5.130 6.739 1.00 0.00 O ATOM 1425 OE2 GLU A 91 14.140 -3.707 6.684 1.00 0.00 O ATOM 0 H GLU A 91 11.368 -3.816 1.847 1.00 0.00 H new ATOM 0 HA GLU A 91 13.060 -5.903 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.472 -3.846 3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.340 -5.344 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.004 -5.411 4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.786 -3.678 4.196 1.00 0.00 H new ATOM 1432 N SER A 92 10.023 -6.795 2.125 1.00 0.00 N ATOM 1433 CA SER A 92 9.100 -7.917 2.104 1.00 0.00 C ATOM 1434 C SER A 92 9.288 -8.727 0.820 1.00 0.00 C ATOM 1435 O SER A 92 9.310 -9.956 0.854 1.00 0.00 O ATOM 1436 CB SER A 92 7.651 -7.441 2.224 1.00 0.00 C ATOM 1437 OG SER A 92 7.172 -7.521 3.564 1.00 0.00 O ATOM 0 H SER A 92 9.723 -5.986 1.582 1.00 0.00 H new ATOM 0 HA SER A 92 9.317 -8.553 2.962 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.577 -6.412 1.874 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.016 -8.045 1.575 1.00 0.00 H new ATOM 0 HG SER A 92 7.055 -8.461 3.814 1.00 0.00 H new ATOM 1443 N LYS A 93 9.420 -8.004 -0.283 1.00 0.00 N ATOM 1444 CA LYS A 93 9.606 -8.639 -1.576 1.00 0.00 C ATOM 1445 C LYS A 93 10.649 -9.751 -1.449 1.00 0.00 C ATOM 1446 O LYS A 93 10.441 -10.862 -1.934 1.00 0.00 O ATOM 1447 CB LYS A 93 9.946 -7.596 -2.642 1.00 0.00 C ATOM 1448 CG LYS A 93 8.677 -6.951 -3.203 1.00 0.00 C ATOM 1449 CD LYS A 93 8.933 -6.350 -4.587 1.00 0.00 C ATOM 1450 CE LYS A 93 10.105 -5.366 -4.548 1.00 0.00 C ATOM 1451 NZ LYS A 93 11.393 -6.093 -4.588 1.00 0.00 N ATOM 0 H LYS A 93 9.402 -6.984 -0.307 1.00 0.00 H new ATOM 0 HA LYS A 93 8.679 -9.108 -1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.589 -6.828 -2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.507 -8.066 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.884 -7.696 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.329 -6.173 -2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.146 -7.147 -5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.036 -5.839 -4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.041 -4.681 -5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.050 -4.761 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.039 -5.619 -5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.817 -6.101 -3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.230 -7.071 -4.903 1.00 0.00 H new ATOM 1465 N GLU A 94 11.750 -9.413 -0.792 1.00 0.00 N ATOM 1466 CA GLU A 94 12.826 -10.368 -0.594 1.00 0.00 C ATOM 1467 C GLU A 94 12.257 -11.741 -0.228 1.00 0.00 C ATOM 1468 O GLU A 94 12.671 -12.757 -0.784 1.00 0.00 O ATOM 1469 CB GLU A 94 13.805 -9.878 0.474 1.00 0.00 C ATOM 1470 CG GLU A 94 14.650 -8.714 -0.049 1.00 0.00 C ATOM 1471 CD GLU A 94 15.898 -8.512 0.812 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.785 -9.390 0.742 1.00 0.00 O ATOM 1473 OE2 GLU A 94 15.937 -7.484 1.522 1.00 0.00 O ATOM 0 H GLU A 94 11.919 -8.491 -0.390 1.00 0.00 H new ATOM 0 HA GLU A 94 13.378 -10.463 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.254 -9.563 1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.457 -10.697 0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.943 -8.908 -1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.055 -7.801 -0.053 1.00 0.00 H new ATOM 1480 N SER A 95 11.317 -11.726 0.705 1.00 0.00 N ATOM 1481 CA SER A 95 10.687 -12.957 1.152 1.00 0.00 C ATOM 1482 C SER A 95 9.401 -13.204 0.361 1.00 0.00 C ATOM 1483 O SER A 95 8.892 -14.323 0.331 1.00 0.00 O ATOM 1484 CB SER A 95 10.387 -12.909 2.652 1.00 0.00 C ATOM 1485 OG SER A 95 10.954 -14.016 3.346 1.00 0.00 O ATOM 0 H SER A 95 10.976 -10.881 1.164 1.00 0.00 H new ATOM 0 HA SER A 95 11.379 -13.780 0.974 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.777 -11.981 3.070 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.308 -12.899 2.806 1.00 0.00 H new ATOM 0 HG SER A 95 10.742 -13.947 4.300 1.00 0.00 H new ATOM 1491 N ASN A 96 8.913 -12.140 -0.260 1.00 0.00 N ATOM 1492 CA ASN A 96 7.696 -12.228 -1.050 1.00 0.00 C ATOM 1493 C ASN A 96 6.483 -12.139 -0.121 1.00 0.00 C ATOM 1494 O ASN A 96 5.596 -12.989 -0.170 1.00 0.00 O ATOM 1495 CB ASN A 96 7.621 -13.559 -1.800 1.00 0.00 C ATOM 1496 CG ASN A 96 7.032 -13.368 -3.199 1.00 0.00 C ATOM 1497 OD1 ASN A 96 6.146 -12.560 -3.423 1.00 0.00 O ATOM 1498 ND2 ASN A 96 7.573 -14.154 -4.125 1.00 0.00 N ATOM 0 H ASN A 96 9.338 -11.213 -0.232 1.00 0.00 H new ATOM 0 HA ASN A 96 7.701 -11.409 -1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.618 -13.993 -1.877 1.00 0.00 H new ATOM 0 HB3 ASN A 96 7.009 -14.264 -1.237 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.249 -14.102 -5.091 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.312 -14.809 -3.870 1.00 0.00 H new ATOM 1505 N THR A 97 6.485 -11.102 0.704 1.00 0.00 N ATOM 1506 CA THR A 97 5.396 -10.891 1.642 1.00 0.00 C ATOM 1507 C THR A 97 4.612 -9.630 1.274 1.00 0.00 C ATOM 1508 O THR A 97 3.709 -9.221 2.003 1.00 0.00 O ATOM 1509 CB THR A 97 5.988 -10.848 3.052 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.240 -10.190 2.883 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.364 -12.238 3.571 1.00 0.00 C ATOM 0 H THR A 97 7.223 -10.399 0.742 1.00 0.00 H new ATOM 0 HA THR A 97 4.675 -11.708 1.601 1.00 0.00 H new ATOM 0 HB THR A 97 5.272 -10.388 3.733 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.753 -10.245 3.716 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.779 -12.151 4.575 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.475 -12.869 3.599 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.106 -12.685 2.909 1.00 0.00 H new ATOM 1519 N VAL A 98 4.985 -9.048 0.144 1.00 0.00 N ATOM 1520 CA VAL A 98 4.328 -7.842 -0.330 1.00 0.00 C ATOM 1521 C VAL A 98 2.831 -7.929 -0.027 1.00 0.00 C ATOM 1522 O VAL A 98 2.275 -7.051 0.632 1.00 0.00 O ATOM 1523 CB VAL A 98 4.626 -7.632 -1.816 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.424 -7.017 -2.534 1.00 0.00 C ATOM 1525 CG2 VAL A 98 5.878 -6.775 -2.008 1.00 0.00 C ATOM 0 H VAL A 98 5.735 -9.390 -0.458 1.00 0.00 H new ATOM 0 HA VAL A 98 4.715 -6.967 0.192 1.00 0.00 H new ATOM 0 HB VAL A 98 4.818 -8.608 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.662 -6.878 -3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.565 -7.682 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.187 -6.052 -2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.067 -6.641 -3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.728 -5.802 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.732 -7.271 -1.547 1.00 0.00 H new ATOM 1535 N PHE A 99 2.221 -8.995 -0.522 1.00 0.00 N ATOM 1536 CA PHE A 99 0.799 -9.209 -0.313 1.00 0.00 C ATOM 1537 C PHE A 99 0.418 -8.969 1.150 1.00 0.00 C ATOM 1538 O PHE A 99 -0.482 -8.182 1.440 1.00 0.00 O ATOM 1539 CB PHE A 99 0.508 -10.667 -0.671 1.00 0.00 C ATOM 1540 CG PHE A 99 0.603 -10.971 -2.168 1.00 0.00 C ATOM 1541 CD1 PHE A 99 -0.452 -10.704 -2.984 1.00 0.00 C ATOM 1542 CD2 PHE A 99 1.741 -11.509 -2.681 1.00 0.00 C ATOM 1543 CE1 PHE A 99 -0.363 -10.986 -4.373 1.00 0.00 C ATOM 1544 CE2 PHE A 99 1.830 -11.791 -4.070 1.00 0.00 C ATOM 1545 CZ PHE A 99 0.775 -11.524 -4.887 1.00 0.00 C ATOM 0 H PHE A 99 2.686 -9.721 -1.068 1.00 0.00 H new ATOM 0 HA PHE A 99 0.224 -8.517 -0.929 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.208 -11.309 -0.135 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.492 -10.924 -0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.357 -10.278 -2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.578 -11.722 -2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.200 -10.773 -5.022 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.735 -12.217 -4.478 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.842 -11.739 -5.943 1.00 0.00 H new ATOM 1555 N SER A 100 1.122 -9.663 2.032 1.00 0.00 N ATOM 1556 CA SER A 100 0.869 -9.536 3.457 1.00 0.00 C ATOM 1557 C SER A 100 1.262 -8.137 3.936 1.00 0.00 C ATOM 1558 O SER A 100 0.508 -7.491 4.662 1.00 0.00 O ATOM 1559 CB SER A 100 1.630 -10.601 4.249 1.00 0.00 C ATOM 1560 OG SER A 100 0.885 -11.066 5.371 1.00 0.00 O ATOM 0 H SER A 100 1.867 -10.315 1.787 1.00 0.00 H new ATOM 0 HA SER A 100 -0.197 -9.686 3.629 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.863 -11.441 3.595 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.580 -10.189 4.590 1.00 0.00 H new ATOM 0 HG SER A 100 1.404 -11.746 5.849 1.00 0.00 H new ATOM 1566 N PHE A 101 2.442 -7.711 3.510 1.00 0.00 N ATOM 1567 CA PHE A 101 2.945 -6.400 3.886 1.00 0.00 C ATOM 1568 C PHE A 101 1.870 -5.327 3.701 1.00 0.00 C ATOM 1569 O PHE A 101 1.814 -4.362 4.462 1.00 0.00 O ATOM 1570 CB PHE A 101 4.123 -6.090 2.960 1.00 0.00 C ATOM 1571 CG PHE A 101 4.413 -4.597 2.801 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.510 -3.801 3.900 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.573 -4.064 1.560 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.779 -2.415 3.752 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.842 -2.677 1.412 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.939 -1.882 2.511 1.00 0.00 C ATOM 0 H PHE A 101 3.064 -8.250 2.908 1.00 0.00 H new ATOM 0 HA PHE A 101 3.242 -6.402 4.935 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.015 -6.584 3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.922 -6.517 1.978 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.382 -4.224 4.886 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.496 -4.695 0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.857 -1.784 4.625 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.969 -2.254 0.427 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.143 -0.827 2.398 1.00 0.00 H new ATOM 1586 N LEU A 102 1.044 -5.531 2.686 1.00 0.00 N ATOM 1587 CA LEU A 102 -0.026 -4.593 2.391 1.00 0.00 C ATOM 1588 C LEU A 102 -1.305 -5.047 3.099 1.00 0.00 C ATOM 1589 O LEU A 102 -2.176 -4.231 3.397 1.00 0.00 O ATOM 1590 CB LEU A 102 -0.187 -4.422 0.880 1.00 0.00 C ATOM 1591 CG LEU A 102 1.110 -4.332 0.073 1.00 0.00 C ATOM 1592 CD1 LEU A 102 0.938 -4.957 -1.313 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.607 -2.888 -0.007 1.00 0.00 C ATOM 0 H LEU A 102 1.094 -6.332 2.057 1.00 0.00 H new ATOM 0 HA LEU A 102 0.218 -3.603 2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.771 -5.260 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.769 -3.519 0.697 1.00 0.00 H new ATOM 0 HG LEU A 102 1.876 -4.907 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.874 -4.880 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.665 -6.007 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.152 -4.430 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.530 -2.852 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.851 -2.269 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.795 -2.512 0.999 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.377 -6.346 3.346 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.535 -6.918 4.012 1.00 0.00 C ATOM 1607 C GLY A 103 -3.481 -7.573 3.003 1.00 0.00 C ATOM 1608 O GLY A 103 -4.699 -7.438 3.110 1.00 0.00 O ATOM 0 H GLY A 103 -0.652 -7.019 3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.210 -7.658 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.065 -6.139 4.560 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.884 -8.269 2.047 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.657 -8.945 1.019 1.00 0.00 C ATOM 1614 C LEU A 104 -3.633 -10.453 1.279 1.00 0.00 C ATOM 1615 O LEU A 104 -3.242 -11.230 0.409 1.00 0.00 O ATOM 1616 CB LEU A 104 -3.159 -8.553 -0.373 1.00 0.00 C ATOM 1617 CG LEU A 104 -2.929 -7.058 -0.606 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.085 -6.822 -1.860 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.258 -6.301 -0.658 1.00 0.00 C ATOM 0 H LEU A 104 -1.874 -8.380 1.963 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.700 -8.630 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.223 -9.079 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.880 -8.909 -1.109 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.366 -6.663 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.936 -5.752 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.117 -7.310 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.599 -7.236 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.067 -5.241 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.868 -6.692 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.787 -6.430 0.286 1.00 0.00 H new ATOM 1631 N LYS A 105 -4.056 -10.822 2.479 1.00 0.00 N ATOM 1632 CA LYS A 105 -4.087 -12.223 2.864 1.00 0.00 C ATOM 1633 C LYS A 105 -4.967 -12.387 4.105 1.00 0.00 C ATOM 1634 O LYS A 105 -5.182 -11.430 4.848 1.00 0.00 O ATOM 1635 CB LYS A 105 -2.667 -12.762 3.041 1.00 0.00 C ATOM 1636 CG LYS A 105 -2.557 -14.198 2.525 1.00 0.00 C ATOM 1637 CD LYS A 105 -2.531 -14.231 0.996 1.00 0.00 C ATOM 1638 CE LYS A 105 -2.153 -15.622 0.484 1.00 0.00 C ATOM 1639 NZ LYS A 105 -2.303 -15.692 -0.987 1.00 0.00 N ATOM 0 H LYS A 105 -4.380 -10.175 3.198 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.535 -12.825 2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -1.963 -12.125 2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.390 -12.728 4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.652 -14.661 2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.399 -14.785 2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.509 -13.949 0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.816 -13.496 0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.124 -15.851 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.785 -16.374 0.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.042 -16.643 -1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.291 -15.494 -1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.681 -14.988 -1.433 1.00 0.00 H new ATOM 1653 N SER A 106 -5.451 -13.606 4.291 1.00 0.00 N ATOM 1654 CA SER A 106 -6.302 -13.907 5.429 1.00 0.00 C ATOM 1655 C SER A 106 -7.571 -13.055 5.374 1.00 0.00 C ATOM 1656 O SER A 106 -7.617 -11.965 5.943 1.00 0.00 O ATOM 1657 CB SER A 106 -5.562 -13.673 6.748 1.00 0.00 C ATOM 1658 OG SER A 106 -4.509 -14.612 6.943 1.00 0.00 O ATOM 0 H SER A 106 -5.270 -14.397 3.673 1.00 0.00 H new ATOM 0 HA SER A 106 -6.577 -14.961 5.380 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.153 -12.663 6.760 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.267 -13.742 7.576 1.00 0.00 H new ATOM 0 HG SER A 106 -4.060 -14.428 7.795 1.00 0.00 H new ATOM 1664 N GLY A 107 -8.571 -13.583 4.684 1.00 0.00 N ATOM 1665 CA GLY A 107 -9.838 -12.884 4.547 1.00 0.00 C ATOM 1666 C GLY A 107 -10.473 -13.162 3.183 1.00 0.00 C ATOM 1667 O GLY A 107 -10.088 -14.107 2.496 1.00 0.00 O ATOM 0 H GLY A 107 -8.530 -14.487 4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.518 -13.197 5.339 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.681 -11.812 4.667 1.00 0.00 H new ATOM 1671 N PRO A 108 -11.461 -12.300 2.822 1.00 0.00 N ATOM 1672 CA PRO A 108 -12.153 -12.443 1.553 1.00 0.00 C ATOM 1673 C PRO A 108 -11.273 -11.975 0.392 1.00 0.00 C ATOM 1674 O PRO A 108 -11.270 -10.794 0.048 1.00 0.00 O ATOM 1675 CB PRO A 108 -13.424 -11.624 1.703 1.00 0.00 C ATOM 1676 CG PRO A 108 -13.176 -10.680 2.869 1.00 0.00 C ATOM 1677 CD PRO A 108 -11.943 -11.170 3.611 1.00 0.00 C ATOM 0 HA PRO A 108 -12.390 -13.481 1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -13.641 -11.069 0.790 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -14.283 -12.267 1.897 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -13.026 -9.662 2.511 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -14.039 -10.660 3.534 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -11.188 -10.387 3.684 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -12.188 -11.473 4.629 1.00 0.00 H new ATOM 1685 N SER A 109 -10.548 -12.925 -0.179 1.00 0.00 N ATOM 1686 CA SER A 109 -9.666 -12.624 -1.294 1.00 0.00 C ATOM 1687 C SER A 109 -10.141 -13.357 -2.550 1.00 0.00 C ATOM 1688 O SER A 109 -10.938 -14.290 -2.464 1.00 0.00 O ATOM 1689 CB SER A 109 -8.220 -13.008 -0.971 1.00 0.00 C ATOM 1690 OG SER A 109 -8.106 -14.370 -0.569 1.00 0.00 O ATOM 0 H SER A 109 -10.553 -13.903 0.109 1.00 0.00 H new ATOM 0 HA SER A 109 -9.697 -11.549 -1.474 1.00 0.00 H new ATOM 0 HB2 SER A 109 -7.595 -12.835 -1.847 1.00 0.00 H new ATOM 0 HB3 SER A 109 -7.842 -12.363 -0.178 1.00 0.00 H new ATOM 0 HG SER A 109 -7.168 -14.576 -0.374 1.00 0.00 H new ATOM 1696 N SER A 110 -9.634 -12.905 -3.688 1.00 0.00 N ATOM 1697 CA SER A 110 -9.997 -13.506 -4.960 1.00 0.00 C ATOM 1698 C SER A 110 -8.754 -14.082 -5.641 1.00 0.00 C ATOM 1699 O SER A 110 -7.934 -13.337 -6.176 1.00 0.00 O ATOM 1700 CB SER A 110 -10.680 -12.488 -5.875 1.00 0.00 C ATOM 1701 OG SER A 110 -11.661 -13.095 -6.711 1.00 0.00 O ATOM 0 H SER A 110 -8.975 -12.130 -3.755 1.00 0.00 H new ATOM 0 HA SER A 110 -10.704 -14.313 -4.767 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.150 -11.713 -5.269 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.930 -11.997 -6.494 1.00 0.00 H new ATOM 0 HG SER A 110 -12.075 -12.412 -7.279 1.00 0.00 H new ATOM 1707 N GLY A 111 -8.653 -15.402 -5.598 1.00 0.00 N ATOM 1708 CA GLY A 111 -7.523 -16.086 -6.205 1.00 0.00 C ATOM 1709 C GLY A 111 -6.253 -15.889 -5.375 1.00 0.00 C ATOM 1710 O GLY A 111 -5.954 -16.690 -4.490 1.00 0.00 O ATOM 0 H GLY A 111 -9.335 -16.016 -5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.742 -17.150 -6.294 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.364 -15.708 -7.215 1.00 0.00 H new TER 1714 GLY A 111