USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 798 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 69 MET CE :methyl -155:sc= -0.964 (180deg=-2.81!) USER MOD Set 1.2: A 73 ASN : amide:sc= -8.93! C(o=-9.9!,f=-14!) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.132 (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 68:sc= 0.015 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.222 K(o=-0.22,f=-3.1!) USER MOD Single : A 15 ASN : amide:sc= -0.0786 K(o=-0.079,f=-2.4!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0665 USER MOD Single : A 20 GLN : amide:sc= -4.65! C(o=-4.7!,f=-5.3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 38 LYS NZ :NH3+ 138:sc= 0.9 (180deg=0.129) USER MOD Single : A 41 GLN : amide:sc=-0.000947 X(o=-0.00095,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -2.38 K(o=-2.4,f=-7.6!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.309 USER MOD Single : A 57 GLN : amide:sc= -0.721 K(o=-0.72,f=-3.4!) USER MOD Single : A 61 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-2.7!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 169:sc= -0.943 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 3:sc= 0.81 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.431 -17.994 -3.070 1.00 0.00 N ATOM 2 CA GLY A 1 13.370 -18.809 -3.636 1.00 0.00 C ATOM 3 C GLY A 1 12.031 -18.070 -3.597 1.00 0.00 C ATOM 4 O GLY A 1 11.943 -16.964 -3.064 1.00 0.00 O ATOM 0 H1 GLY A 1 15.148 -17.803 -3.799 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.034 -17.095 -2.730 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.871 -18.500 -2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.616 -19.069 -4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.290 -19.744 -3.082 1.00 0.00 H new ATOM 8 N SER A 2 11.021 -18.711 -4.167 1.00 0.00 N ATOM 9 CA SER A 2 9.690 -18.128 -4.204 1.00 0.00 C ATOM 10 C SER A 2 8.685 -19.152 -4.734 1.00 0.00 C ATOM 11 O SER A 2 9.048 -20.044 -5.500 1.00 0.00 O ATOM 12 CB SER A 2 9.666 -16.865 -5.066 1.00 0.00 C ATOM 13 OG SER A 2 9.912 -17.151 -6.440 1.00 0.00 O ATOM 0 H SER A 2 11.097 -19.628 -4.607 1.00 0.00 H new ATOM 0 HA SER A 2 9.411 -17.847 -3.188 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.697 -16.376 -4.965 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.416 -16.163 -4.702 1.00 0.00 H new ATOM 0 HG SER A 2 9.887 -16.319 -6.957 1.00 0.00 H new ATOM 19 N SER A 3 7.442 -18.990 -4.306 1.00 0.00 N ATOM 20 CA SER A 3 6.382 -19.890 -4.728 1.00 0.00 C ATOM 21 C SER A 3 5.024 -19.343 -4.284 1.00 0.00 C ATOM 22 O SER A 3 4.958 -18.398 -3.499 1.00 0.00 O ATOM 23 CB SER A 3 6.597 -21.297 -4.167 1.00 0.00 C ATOM 24 OG SER A 3 6.154 -21.406 -2.817 1.00 0.00 O ATOM 0 H SER A 3 7.145 -18.249 -3.671 1.00 0.00 H new ATOM 0 HA SER A 3 6.402 -19.956 -5.816 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.062 -22.019 -4.784 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.655 -21.552 -4.223 1.00 0.00 H new ATOM 0 HG SER A 3 6.307 -22.319 -2.495 1.00 0.00 H new ATOM 30 N GLY A 4 3.974 -19.960 -4.806 1.00 0.00 N ATOM 31 CA GLY A 4 2.621 -19.547 -4.473 1.00 0.00 C ATOM 32 C GLY A 4 1.592 -20.518 -5.056 1.00 0.00 C ATOM 33 O GLY A 4 1.956 -21.499 -5.702 1.00 0.00 O ATOM 0 H GLY A 4 4.033 -20.743 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.508 -19.499 -3.390 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.438 -18.544 -4.858 1.00 0.00 H new ATOM 37 N SER A 5 0.328 -20.211 -4.806 1.00 0.00 N ATOM 38 CA SER A 5 -0.756 -21.044 -5.298 1.00 0.00 C ATOM 39 C SER A 5 -2.101 -20.482 -4.832 1.00 0.00 C ATOM 40 O SER A 5 -2.152 -19.670 -3.910 1.00 0.00 O ATOM 41 CB SER A 5 -0.595 -22.491 -4.829 1.00 0.00 C ATOM 42 OG SER A 5 -0.382 -23.384 -5.919 1.00 0.00 O ATOM 0 H SER A 5 0.030 -19.397 -4.269 1.00 0.00 H new ATOM 0 HA SER A 5 -0.724 -21.038 -6.388 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.245 -22.557 -4.137 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.486 -22.795 -4.279 1.00 0.00 H new ATOM 0 HG SER A 5 0.496 -23.210 -6.318 1.00 0.00 H new ATOM 48 N SER A 6 -3.156 -20.936 -5.492 1.00 0.00 N ATOM 49 CA SER A 6 -4.498 -20.489 -5.157 1.00 0.00 C ATOM 50 C SER A 6 -5.420 -21.695 -4.968 1.00 0.00 C ATOM 51 O SER A 6 -5.117 -22.792 -5.436 1.00 0.00 O ATOM 52 CB SER A 6 -5.054 -19.559 -6.237 1.00 0.00 C ATOM 53 OG SER A 6 -4.852 -20.082 -7.547 1.00 0.00 O ATOM 0 H SER A 6 -3.109 -21.609 -6.257 1.00 0.00 H new ATOM 0 HA SER A 6 -4.449 -19.929 -4.223 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.120 -19.404 -6.069 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.574 -18.584 -6.158 1.00 0.00 H new ATOM 0 HG SER A 6 -5.222 -19.460 -8.208 1.00 0.00 H new ATOM 59 N GLY A 7 -6.526 -21.452 -4.281 1.00 0.00 N ATOM 60 CA GLY A 7 -7.495 -22.504 -4.025 1.00 0.00 C ATOM 61 C GLY A 7 -8.324 -22.194 -2.778 1.00 0.00 C ATOM 62 O GLY A 7 -8.438 -21.037 -2.375 1.00 0.00 O ATOM 0 H GLY A 7 -6.773 -20.541 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.154 -22.614 -4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.979 -23.455 -3.896 1.00 0.00 H new ATOM 66 N ASP A 8 -8.883 -23.247 -2.201 1.00 0.00 N ATOM 67 CA ASP A 8 -9.700 -23.102 -1.007 1.00 0.00 C ATOM 68 C ASP A 8 -8.793 -22.843 0.197 1.00 0.00 C ATOM 69 O ASP A 8 -8.401 -23.777 0.896 1.00 0.00 O ATOM 70 CB ASP A 8 -10.502 -24.375 -0.730 1.00 0.00 C ATOM 71 CG ASP A 8 -11.708 -24.592 -1.647 1.00 0.00 C ATOM 72 OD1 ASP A 8 -11.721 -23.960 -2.725 1.00 0.00 O ATOM 73 OD2 ASP A 8 -12.588 -25.384 -1.248 1.00 0.00 O ATOM 0 H ASP A 8 -8.787 -24.205 -2.538 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.387 -22.271 -1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.836 -25.233 -0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.850 -24.350 0.303 1.00 0.00 H new ATOM 78 N GLN A 9 -8.484 -21.571 0.403 1.00 0.00 N ATOM 79 CA GLN A 9 -7.630 -21.178 1.511 1.00 0.00 C ATOM 80 C GLN A 9 -8.312 -20.093 2.348 1.00 0.00 C ATOM 81 O GLN A 9 -9.301 -19.501 1.916 1.00 0.00 O ATOM 82 CB GLN A 9 -6.264 -20.705 1.010 1.00 0.00 C ATOM 83 CG GLN A 9 -5.505 -21.846 0.330 1.00 0.00 C ATOM 84 CD GLN A 9 -4.787 -22.718 1.361 1.00 0.00 C ATOM 85 OE1 GLN A 9 -5.232 -22.891 2.484 1.00 0.00 O ATOM 86 NE2 GLN A 9 -3.654 -23.257 0.920 1.00 0.00 N ATOM 0 H GLN A 9 -8.810 -20.799 -0.179 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.466 -22.050 2.144 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -6.395 -19.881 0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.679 -20.321 1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -6.200 -22.456 -0.247 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.780 -21.437 -0.373 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.338 -23.072 -0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.101 -23.856 1.534 1.00 0.00 H new ATOM 95 N GLU A 10 -7.758 -19.866 3.529 1.00 0.00 N ATOM 96 CA GLU A 10 -8.300 -18.864 4.430 1.00 0.00 C ATOM 97 C GLU A 10 -7.176 -17.990 4.991 1.00 0.00 C ATOM 98 O GLU A 10 -6.037 -18.438 5.108 1.00 0.00 O ATOM 99 CB GLU A 10 -9.102 -19.516 5.558 1.00 0.00 C ATOM 100 CG GLU A 10 -10.037 -20.597 5.012 1.00 0.00 C ATOM 101 CD GLU A 10 -11.325 -20.674 5.834 1.00 0.00 C ATOM 102 OE1 GLU A 10 -12.111 -19.705 5.748 1.00 0.00 O ATOM 103 OE2 GLU A 10 -11.496 -21.699 6.528 1.00 0.00 O ATOM 0 H GLU A 10 -6.938 -20.359 3.883 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.981 -18.228 3.865 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.421 -19.954 6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.684 -18.757 6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.278 -20.382 3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.532 -21.563 5.030 1.00 0.00 H new ATOM 110 N VAL A 11 -7.536 -16.759 5.322 1.00 0.00 N ATOM 111 CA VAL A 11 -6.572 -15.818 5.868 1.00 0.00 C ATOM 112 C VAL A 11 -5.960 -16.404 7.141 1.00 0.00 C ATOM 113 O VAL A 11 -6.471 -17.380 7.689 1.00 0.00 O ATOM 114 CB VAL A 11 -7.238 -14.459 6.094 1.00 0.00 C ATOM 115 CG1 VAL A 11 -7.732 -13.864 4.774 1.00 0.00 C ATOM 116 CG2 VAL A 11 -8.378 -14.569 7.108 1.00 0.00 C ATOM 0 H VAL A 11 -8.482 -16.391 5.223 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.758 -15.652 5.163 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.489 -13.783 6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.201 -12.898 4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.889 -13.731 4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.459 -14.538 4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.834 -13.589 7.250 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.128 -15.268 6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.985 -14.928 8.059 1.00 0.00 H new ATOM 126 N ARG A 12 -4.873 -15.783 7.577 1.00 0.00 N ATOM 127 CA ARG A 12 -4.185 -16.230 8.776 1.00 0.00 C ATOM 128 C ARG A 12 -3.833 -17.715 8.663 1.00 0.00 C ATOM 129 O ARG A 12 -4.692 -18.576 8.843 1.00 0.00 O ATOM 130 CB ARG A 12 -5.049 -16.011 10.020 1.00 0.00 C ATOM 131 CG ARG A 12 -5.137 -14.525 10.371 1.00 0.00 C ATOM 132 CD ARG A 12 -6.573 -14.129 10.724 1.00 0.00 C ATOM 133 NE ARG A 12 -6.703 -13.952 12.188 1.00 0.00 N ATOM 134 CZ ARG A 12 -7.870 -13.975 12.846 1.00 0.00 C ATOM 135 NH1 ARG A 12 -9.014 -14.169 12.175 1.00 0.00 N ATOM 136 NH2 ARG A 12 -7.893 -13.805 14.175 1.00 0.00 N ATOM 0 H ARG A 12 -4.452 -14.974 7.121 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.272 -15.643 8.873 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.049 -16.407 9.847 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.629 -16.563 10.861 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.479 -14.307 11.212 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.788 -13.927 9.529 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.840 -13.205 10.212 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.266 -14.896 10.379 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.851 -13.803 12.729 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.996 -14.299 11.163 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.902 -14.187 12.676 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.022 -13.658 14.686 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.781 -13.822 14.676 1.00 0.00 H new ATOM 150 N LEU A 13 -2.567 -17.968 8.366 1.00 0.00 N ATOM 151 CA LEU A 13 -2.090 -19.334 8.227 1.00 0.00 C ATOM 152 C LEU A 13 -0.639 -19.414 8.707 1.00 0.00 C ATOM 153 O LEU A 13 -0.340 -20.109 9.677 1.00 0.00 O ATOM 154 CB LEU A 13 -2.291 -19.829 6.793 1.00 0.00 C ATOM 155 CG LEU A 13 -2.910 -21.220 6.645 1.00 0.00 C ATOM 156 CD1 LEU A 13 -4.408 -21.126 6.348 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.167 -22.040 5.588 1.00 0.00 C ATOM 0 H LEU A 13 -1.857 -17.251 8.218 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.673 -20.007 8.856 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.924 -19.114 6.268 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.324 -19.828 6.290 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.803 -21.744 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.823 -22.129 6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.909 -20.606 7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.561 -20.576 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.627 -23.025 5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.221 -21.529 4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.123 -22.151 5.881 1.00 0.00 H new ATOM 169 N GLU A 14 0.224 -18.694 8.005 1.00 0.00 N ATOM 170 CA GLU A 14 1.636 -18.675 8.348 1.00 0.00 C ATOM 171 C GLU A 14 2.417 -17.841 7.330 1.00 0.00 C ATOM 172 O GLU A 14 1.839 -17.305 6.386 1.00 0.00 O ATOM 173 CB GLU A 14 2.196 -20.095 8.440 1.00 0.00 C ATOM 174 CG GLU A 14 3.065 -20.261 9.688 1.00 0.00 C ATOM 175 CD GLU A 14 3.143 -21.730 10.110 1.00 0.00 C ATOM 176 OE1 GLU A 14 2.103 -22.242 10.579 1.00 0.00 O ATOM 177 OE2 GLU A 14 4.240 -22.308 9.954 1.00 0.00 O ATOM 0 H GLU A 14 -0.027 -18.120 7.200 1.00 0.00 H new ATOM 0 HA GLU A 14 1.747 -18.212 9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.376 -20.812 8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.785 -20.316 7.550 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.068 -19.882 9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.654 -19.666 10.504 1.00 0.00 H new ATOM 184 N ASN A 15 3.720 -17.759 7.556 1.00 0.00 N ATOM 185 CA ASN A 15 4.587 -17.000 6.671 1.00 0.00 C ATOM 186 C ASN A 15 4.143 -15.536 6.661 1.00 0.00 C ATOM 187 O ASN A 15 2.994 -15.230 6.975 1.00 0.00 O ATOM 188 CB ASN A 15 4.507 -17.527 5.237 1.00 0.00 C ATOM 189 CG ASN A 15 5.103 -18.933 5.135 1.00 0.00 C ATOM 190 OD1 ASN A 15 5.242 -19.649 6.114 1.00 0.00 O ATOM 191 ND2 ASN A 15 5.446 -19.287 3.900 1.00 0.00 N ATOM 0 H ASN A 15 4.196 -18.206 8.339 1.00 0.00 H new ATOM 0 HA ASN A 15 5.610 -17.098 7.035 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.467 -17.544 4.910 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.041 -16.852 4.568 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.853 -20.206 3.727 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.302 -18.639 3.125 1.00 0.00 H new ATOM 198 N ARG A 16 5.078 -14.670 6.298 1.00 0.00 N ATOM 199 CA ARG A 16 4.798 -13.245 6.244 1.00 0.00 C ATOM 200 C ARG A 16 5.737 -12.557 5.251 1.00 0.00 C ATOM 201 O ARG A 16 6.956 -12.690 5.349 1.00 0.00 O ATOM 202 CB ARG A 16 4.961 -12.599 7.621 1.00 0.00 C ATOM 203 CG ARG A 16 3.714 -12.817 8.480 1.00 0.00 C ATOM 204 CD ARG A 16 3.953 -13.908 9.526 1.00 0.00 C ATOM 205 NE ARG A 16 3.682 -13.378 10.881 1.00 0.00 N ATOM 206 CZ ARG A 16 3.627 -14.134 11.986 1.00 0.00 C ATOM 207 NH1 ARG A 16 3.824 -15.457 11.903 1.00 0.00 N ATOM 208 NH2 ARG A 16 3.375 -13.567 13.174 1.00 0.00 N ATOM 0 H ARG A 16 6.030 -14.928 6.038 1.00 0.00 H new ATOM 0 HA ARG A 16 3.765 -13.122 5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.831 -13.021 8.124 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.146 -11.531 7.506 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.443 -11.885 8.976 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.874 -13.096 7.844 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.308 -14.763 9.325 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.982 -14.263 9.464 1.00 0.00 H new ATOM 0 HE ARG A 16 3.527 -12.375 10.980 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.016 -15.888 10.999 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.782 -16.033 12.744 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.225 -12.560 13.237 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.333 -14.142 14.015 1.00 0.00 H new ATOM 222 N ILE A 17 5.133 -11.837 4.317 1.00 0.00 N ATOM 223 CA ILE A 17 5.900 -11.128 3.307 1.00 0.00 C ATOM 224 C ILE A 17 5.866 -9.628 3.606 1.00 0.00 C ATOM 225 O ILE A 17 4.915 -9.133 4.210 1.00 0.00 O ATOM 226 CB ILE A 17 5.401 -11.486 1.905 1.00 0.00 C ATOM 227 CG1 ILE A 17 3.981 -10.963 1.678 1.00 0.00 C ATOM 228 CG2 ILE A 17 5.504 -12.992 1.655 1.00 0.00 C ATOM 229 CD1 ILE A 17 3.988 -9.456 1.415 1.00 0.00 C ATOM 0 H ILE A 17 4.122 -11.729 4.239 1.00 0.00 H new ATOM 0 HA ILE A 17 6.945 -11.436 3.337 1.00 0.00 H new ATOM 0 HB ILE A 17 6.045 -10.994 1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.529 -11.481 0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.365 -11.181 2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.143 -13.220 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.544 -13.306 1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.898 -13.525 2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.967 -9.110 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.418 -8.939 2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.584 -9.244 0.528 1.00 0.00 H new ATOM 241 N THR A 18 6.916 -8.946 3.171 1.00 0.00 N ATOM 242 CA THR A 18 7.018 -7.512 3.386 1.00 0.00 C ATOM 243 C THR A 18 7.409 -6.805 2.086 1.00 0.00 C ATOM 244 O THR A 18 8.008 -7.413 1.201 1.00 0.00 O ATOM 245 CB THR A 18 8.007 -7.275 4.528 1.00 0.00 C ATOM 246 OG1 THR A 18 7.657 -8.255 5.501 1.00 0.00 O ATOM 247 CG2 THR A 18 7.770 -5.942 5.241 1.00 0.00 C ATOM 0 H THR A 18 7.703 -9.360 2.671 1.00 0.00 H new ATOM 0 HA THR A 18 6.058 -7.085 3.675 1.00 0.00 H new ATOM 0 HB THR A 18 9.024 -7.302 4.137 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.251 -8.173 6.276 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.499 -5.824 6.043 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.878 -5.124 4.529 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.764 -5.927 5.660 1.00 0.00 H new ATOM 255 N PHE A 19 7.054 -5.531 2.014 1.00 0.00 N ATOM 256 CA PHE A 19 7.360 -4.735 0.837 1.00 0.00 C ATOM 257 C PHE A 19 7.463 -3.250 1.192 1.00 0.00 C ATOM 258 O PHE A 19 7.002 -2.828 2.251 1.00 0.00 O ATOM 259 CB PHE A 19 6.207 -4.933 -0.149 1.00 0.00 C ATOM 260 CG PHE A 19 4.835 -4.561 0.415 1.00 0.00 C ATOM 261 CD1 PHE A 19 4.373 -3.287 0.296 1.00 0.00 C ATOM 262 CD2 PHE A 19 4.076 -5.504 1.035 1.00 0.00 C ATOM 263 CE1 PHE A 19 3.099 -2.942 0.819 1.00 0.00 C ATOM 264 CE2 PHE A 19 2.802 -5.159 1.559 1.00 0.00 C ATOM 265 CZ PHE A 19 2.341 -3.885 1.440 1.00 0.00 C ATOM 0 H PHE A 19 6.558 -5.030 2.751 1.00 0.00 H new ATOM 0 HA PHE A 19 8.315 -5.047 0.414 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.397 -4.334 -1.039 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.188 -5.976 -0.465 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.975 -2.538 -0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.442 -6.516 1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.732 -1.931 0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.200 -5.908 2.052 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.372 -3.622 1.839 1.00 0.00 H new ATOM 275 N GLN A 20 8.070 -2.499 0.285 1.00 0.00 N ATOM 276 CA GLN A 20 8.240 -1.070 0.489 1.00 0.00 C ATOM 277 C GLN A 20 7.197 -0.292 -0.316 1.00 0.00 C ATOM 278 O GLN A 20 6.657 -0.802 -1.296 1.00 0.00 O ATOM 279 CB GLN A 20 9.658 -0.628 0.122 1.00 0.00 C ATOM 280 CG GLN A 20 10.674 -1.143 1.143 1.00 0.00 C ATOM 281 CD GLN A 20 11.788 -0.119 1.371 1.00 0.00 C ATOM 282 OE1 GLN A 20 11.847 0.558 2.384 1.00 0.00 O ATOM 283 NE2 GLN A 20 12.666 -0.043 0.374 1.00 0.00 N ATOM 0 H GLN A 20 8.450 -2.853 -0.593 1.00 0.00 H new ATOM 0 HA GLN A 20 8.090 -0.853 1.547 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.913 -1.000 -0.870 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.703 0.460 0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.171 -1.355 2.087 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.104 -2.081 0.793 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.558 -0.639 -0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.447 0.611 0.431 1.00 0.00 H new ATOM 292 N LEU A 21 6.945 0.930 0.129 1.00 0.00 N ATOM 293 CA LEU A 21 5.976 1.784 -0.538 1.00 0.00 C ATOM 294 C LEU A 21 6.593 3.165 -0.768 1.00 0.00 C ATOM 295 O LEU A 21 7.252 3.710 0.116 1.00 0.00 O ATOM 296 CB LEU A 21 4.663 1.820 0.247 1.00 0.00 C ATOM 297 CG LEU A 21 3.395 1.515 -0.552 1.00 0.00 C ATOM 298 CD1 LEU A 21 2.145 1.951 0.215 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.460 2.143 -1.945 1.00 0.00 C ATOM 0 H LEU A 21 7.395 1.349 0.943 1.00 0.00 H new ATOM 0 HA LEU A 21 5.723 1.380 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.733 1.105 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.557 2.808 0.695 1.00 0.00 H new ATOM 0 HG LEU A 21 3.329 0.436 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.258 1.723 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.096 1.418 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.189 3.024 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.546 1.911 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.563 3.224 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.318 1.742 -2.485 1.00 0.00 H new ATOM 311 N GLU A 22 6.357 3.691 -1.961 1.00 0.00 N ATOM 312 CA GLU A 22 6.882 4.999 -2.319 1.00 0.00 C ATOM 313 C GLU A 22 5.815 6.075 -2.108 1.00 0.00 C ATOM 314 O GLU A 22 4.843 6.146 -2.858 1.00 0.00 O ATOM 315 CB GLU A 22 7.392 5.008 -3.761 1.00 0.00 C ATOM 316 CG GLU A 22 8.771 5.666 -3.851 1.00 0.00 C ATOM 317 CD GLU A 22 9.693 4.882 -4.787 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.142 3.796 -4.362 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.928 5.387 -5.906 1.00 0.00 O ATOM 0 H GLU A 22 5.810 3.236 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 22 7.727 5.221 -1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.447 3.987 -4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.687 5.544 -4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.667 6.690 -4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.217 5.721 -2.858 1.00 0.00 H new ATOM 326 N LEU A 23 6.032 6.885 -1.082 1.00 0.00 N ATOM 327 CA LEU A 23 5.101 7.954 -0.763 1.00 0.00 C ATOM 328 C LEU A 23 5.365 9.146 -1.684 1.00 0.00 C ATOM 329 O LEU A 23 5.838 10.190 -1.236 1.00 0.00 O ATOM 330 CB LEU A 23 5.173 8.300 0.726 1.00 0.00 C ATOM 331 CG LEU A 23 4.241 7.507 1.644 1.00 0.00 C ATOM 332 CD1 LEU A 23 4.710 7.582 3.099 1.00 0.00 C ATOM 333 CD2 LEU A 23 2.791 7.969 1.485 1.00 0.00 C ATOM 0 H LEU A 23 6.839 6.822 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 23 4.075 7.632 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.198 8.150 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.951 9.361 0.844 1.00 0.00 H new ATOM 0 HG LEU A 23 4.280 6.459 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.030 7.010 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.715 7.168 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.719 8.622 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.150 7.389 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.716 9.026 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.473 7.821 0.453 1.00 0.00 H new ATOM 345 N VAL A 24 5.048 8.952 -2.956 1.00 0.00 N ATOM 346 CA VAL A 24 5.244 9.999 -3.945 1.00 0.00 C ATOM 347 C VAL A 24 4.846 11.347 -3.340 1.00 0.00 C ATOM 348 O VAL A 24 3.692 11.546 -2.966 1.00 0.00 O ATOM 349 CB VAL A 24 4.471 9.664 -5.222 1.00 0.00 C ATOM 350 CG1 VAL A 24 4.560 10.810 -6.232 1.00 0.00 C ATOM 351 CG2 VAL A 24 4.965 8.352 -5.834 1.00 0.00 C ATOM 0 H VAL A 24 4.657 8.085 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 24 6.295 10.067 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 24 3.422 9.534 -4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.002 10.547 -7.131 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.137 11.714 -5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.604 10.986 -6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.399 8.137 -6.740 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.023 8.441 -6.080 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.825 7.542 -5.119 1.00 0.00 H new ATOM 361 N GLY A 25 5.824 12.237 -3.264 1.00 0.00 N ATOM 362 CA GLY A 25 5.591 13.560 -2.711 1.00 0.00 C ATOM 363 C GLY A 25 6.296 13.724 -1.363 1.00 0.00 C ATOM 364 O GLY A 25 6.987 14.716 -1.137 1.00 0.00 O ATOM 0 H GLY A 25 6.780 12.068 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.950 14.317 -3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.520 13.723 -2.587 1.00 0.00 H new ATOM 368 N LEU A 26 6.097 12.736 -0.503 1.00 0.00 N ATOM 369 CA LEU A 26 6.705 12.758 0.816 1.00 0.00 C ATOM 370 C LEU A 26 8.177 12.358 0.701 1.00 0.00 C ATOM 371 O LEU A 26 8.926 12.445 1.673 1.00 0.00 O ATOM 372 CB LEU A 26 5.906 11.890 1.789 1.00 0.00 C ATOM 373 CG LEU A 26 5.692 12.472 3.188 1.00 0.00 C ATOM 374 CD1 LEU A 26 4.846 11.533 4.050 1.00 0.00 C ATOM 375 CD2 LEU A 26 7.029 12.810 3.851 1.00 0.00 C ATOM 0 H LEU A 26 5.523 11.915 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 26 6.680 13.766 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.930 11.689 1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.414 10.931 1.890 1.00 0.00 H new ATOM 0 HG LEU A 26 5.136 13.405 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.709 11.971 5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.873 11.386 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.352 10.572 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.849 13.222 4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.631 11.906 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.561 13.544 3.245 1.00 0.00 H new ATOM 387 N GLU A 27 8.549 11.927 -0.496 1.00 0.00 N ATOM 388 CA GLU A 27 9.918 11.512 -0.751 1.00 0.00 C ATOM 389 C GLU A 27 10.441 10.665 0.411 1.00 0.00 C ATOM 390 O GLU A 27 11.449 11.005 1.028 1.00 0.00 O ATOM 391 CB GLU A 27 10.820 12.723 -0.996 1.00 0.00 C ATOM 392 CG GLU A 27 10.728 13.719 0.161 1.00 0.00 C ATOM 393 CD GLU A 27 11.738 14.855 -0.011 1.00 0.00 C ATOM 394 OE1 GLU A 27 11.604 15.586 -1.016 1.00 0.00 O ATOM 395 OE2 GLU A 27 12.622 14.967 0.866 1.00 0.00 O ATOM 0 H GLU A 27 7.925 11.856 -1.300 1.00 0.00 H new ATOM 0 HA GLU A 27 9.930 10.902 -1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.852 12.394 -1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.532 13.213 -1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.719 14.129 0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.912 13.204 1.104 1.00 0.00 H new ATOM 402 N ARG A 28 9.731 9.577 0.674 1.00 0.00 N ATOM 403 CA ARG A 28 10.111 8.678 1.751 1.00 0.00 C ATOM 404 C ARG A 28 9.605 7.263 1.464 1.00 0.00 C ATOM 405 O ARG A 28 8.439 7.075 1.123 1.00 0.00 O ATOM 406 CB ARG A 28 9.546 9.154 3.091 1.00 0.00 C ATOM 407 CG ARG A 28 8.060 8.810 3.211 1.00 0.00 C ATOM 408 CD ARG A 28 7.468 9.379 4.502 1.00 0.00 C ATOM 409 NE ARG A 28 7.386 8.319 5.531 1.00 0.00 N ATOM 410 CZ ARG A 28 6.853 8.493 6.748 1.00 0.00 C ATOM 411 NH1 ARG A 28 6.352 9.686 7.096 1.00 0.00 N ATOM 412 NH2 ARG A 28 6.821 7.474 7.618 1.00 0.00 N ATOM 0 H ARG A 28 8.895 9.298 0.160 1.00 0.00 H new ATOM 0 HA ARG A 28 11.199 8.673 1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.098 8.690 3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.683 10.231 3.186 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.520 9.209 2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.931 7.728 3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.085 10.201 4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.476 9.787 4.308 1.00 0.00 H new ATOM 0 HE ARG A 28 7.759 7.398 5.299 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.376 10.462 6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.946 9.818 8.022 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.202 6.566 7.354 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.415 7.607 8.544 1.00 0.00 H new ATOM 426 N VAL A 29 10.508 6.305 1.614 1.00 0.00 N ATOM 427 CA VAL A 29 10.167 4.912 1.376 1.00 0.00 C ATOM 428 C VAL A 29 9.709 4.272 2.688 1.00 0.00 C ATOM 429 O VAL A 29 10.427 4.312 3.686 1.00 0.00 O ATOM 430 CB VAL A 29 11.353 4.186 0.738 1.00 0.00 C ATOM 431 CG1 VAL A 29 11.069 2.688 0.603 1.00 0.00 C ATOM 432 CG2 VAL A 29 11.708 4.801 -0.617 1.00 0.00 C ATOM 0 H VAL A 29 11.475 6.465 1.897 1.00 0.00 H new ATOM 0 HA VAL A 29 9.339 4.836 0.672 1.00 0.00 H new ATOM 0 HB VAL A 29 12.214 4.307 1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.927 2.195 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.888 2.262 1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.190 2.539 -0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.554 4.266 -1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.851 4.726 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.972 5.850 -0.483 1.00 0.00 H new ATOM 442 N VAL A 30 8.516 3.697 2.644 1.00 0.00 N ATOM 443 CA VAL A 30 7.954 3.050 3.817 1.00 0.00 C ATOM 444 C VAL A 30 7.889 1.540 3.578 1.00 0.00 C ATOM 445 O VAL A 30 7.926 1.086 2.435 1.00 0.00 O ATOM 446 CB VAL A 30 6.592 3.661 4.150 1.00 0.00 C ATOM 447 CG1 VAL A 30 6.754 4.986 4.899 1.00 0.00 C ATOM 448 CG2 VAL A 30 5.750 3.846 2.886 1.00 0.00 C ATOM 0 H VAL A 30 7.923 3.666 1.814 1.00 0.00 H new ATOM 0 HA VAL A 30 8.590 3.215 4.686 1.00 0.00 H new ATOM 0 HB VAL A 30 6.065 2.967 4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.771 5.399 5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.297 4.814 5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.310 5.689 4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.787 4.282 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.271 4.509 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.592 2.879 2.410 1.00 0.00 H new ATOM 458 N ARG A 31 7.793 0.803 4.675 1.00 0.00 N ATOM 459 CA ARG A 31 7.723 -0.646 4.600 1.00 0.00 C ATOM 460 C ARG A 31 6.388 -1.143 5.159 1.00 0.00 C ATOM 461 O ARG A 31 5.845 -0.555 6.093 1.00 0.00 O ATOM 462 CB ARG A 31 8.868 -1.295 5.380 1.00 0.00 C ATOM 463 CG ARG A 31 8.933 -2.799 5.108 1.00 0.00 C ATOM 464 CD ARG A 31 9.823 -3.504 6.134 1.00 0.00 C ATOM 465 NE ARG A 31 11.138 -2.829 6.212 1.00 0.00 N ATOM 466 CZ ARG A 31 12.139 -3.222 7.011 1.00 0.00 C ATOM 467 NH1 ARG A 31 11.981 -4.289 7.807 1.00 0.00 N ATOM 468 NH2 ARG A 31 13.297 -2.549 7.016 1.00 0.00 N ATOM 0 H ARG A 31 7.762 1.183 5.621 1.00 0.00 H new ATOM 0 HA ARG A 31 7.809 -0.927 3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.813 -0.830 5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.731 -1.120 6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.929 -3.222 5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.320 -2.974 4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.342 -3.495 7.112 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.957 -4.549 5.854 1.00 0.00 H new ATOM 0 HE ARG A 31 11.292 -2.013 5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.099 -4.801 7.804 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.743 -4.589 8.415 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.417 -1.737 6.411 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.059 -2.849 7.625 1.00 0.00 H new ATOM 482 N ILE A 32 5.897 -2.220 4.564 1.00 0.00 N ATOM 483 CA ILE A 32 4.636 -2.802 4.991 1.00 0.00 C ATOM 484 C ILE A 32 4.804 -4.315 5.144 1.00 0.00 C ATOM 485 O ILE A 32 5.308 -4.982 4.242 1.00 0.00 O ATOM 486 CB ILE A 32 3.510 -2.402 4.035 1.00 0.00 C ATOM 487 CG1 ILE A 32 3.505 -0.890 3.796 1.00 0.00 C ATOM 488 CG2 ILE A 32 2.157 -2.907 4.539 1.00 0.00 C ATOM 489 CD1 ILE A 32 2.218 -0.451 3.095 1.00 0.00 C ATOM 0 H ILE A 32 6.350 -2.705 3.789 1.00 0.00 H new ATOM 0 HA ILE A 32 4.348 -2.412 5.967 1.00 0.00 H new ATOM 0 HB ILE A 32 3.693 -2.880 3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.602 -0.367 4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.367 -0.611 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.374 -2.609 3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.180 -3.994 4.616 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.951 -2.478 5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.239 0.627 2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.137 -0.957 2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.360 -0.710 3.715 1.00 0.00 H new ATOM 501 N SER A 33 4.371 -4.812 6.294 1.00 0.00 N ATOM 502 CA SER A 33 4.467 -6.234 6.577 1.00 0.00 C ATOM 503 C SER A 33 3.074 -6.810 6.839 1.00 0.00 C ATOM 504 O SER A 33 2.265 -6.197 7.533 1.00 0.00 O ATOM 505 CB SER A 33 5.383 -6.497 7.774 1.00 0.00 C ATOM 506 OG SER A 33 4.897 -5.882 8.964 1.00 0.00 O ATOM 0 H SER A 33 3.953 -4.256 7.040 1.00 0.00 H new ATOM 0 HA SER A 33 4.900 -6.727 5.707 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.473 -7.572 7.932 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.383 -6.122 7.555 1.00 0.00 H new ATOM 0 HG SER A 33 5.509 -6.075 9.705 1.00 0.00 H new ATOM 512 N ALA A 34 2.837 -7.983 6.270 1.00 0.00 N ATOM 513 CA ALA A 34 1.556 -8.649 6.433 1.00 0.00 C ATOM 514 C ALA A 34 1.600 -10.009 5.733 1.00 0.00 C ATOM 515 O ALA A 34 2.401 -10.217 4.823 1.00 0.00 O ATOM 516 CB ALA A 34 0.441 -7.751 5.893 1.00 0.00 C ATOM 0 H ALA A 34 3.511 -8.489 5.695 1.00 0.00 H new ATOM 0 HA ALA A 34 1.348 -8.828 7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.520 -8.251 6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.433 -6.810 6.443 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.614 -7.552 4.835 1.00 0.00 H new ATOM 522 N LYS A 35 0.729 -10.900 6.185 1.00 0.00 N ATOM 523 CA LYS A 35 0.659 -12.234 5.614 1.00 0.00 C ATOM 524 C LYS A 35 0.531 -12.126 4.093 1.00 0.00 C ATOM 525 O LYS A 35 -0.006 -11.146 3.579 1.00 0.00 O ATOM 526 CB LYS A 35 -0.464 -13.039 6.270 1.00 0.00 C ATOM 527 CG LYS A 35 -1.714 -12.178 6.467 1.00 0.00 C ATOM 528 CD LYS A 35 -1.946 -11.880 7.950 1.00 0.00 C ATOM 529 CE LYS A 35 -2.155 -10.382 8.182 1.00 0.00 C ATOM 530 NZ LYS A 35 -1.799 -10.019 9.572 1.00 0.00 N ATOM 0 H LYS A 35 0.066 -10.724 6.940 1.00 0.00 H new ATOM 0 HA LYS A 35 1.577 -12.785 5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.707 -13.902 5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.127 -13.422 7.233 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.606 -11.243 5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.583 -12.692 6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.817 -12.431 8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.092 -12.226 8.532 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.544 -9.811 7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.194 -10.119 7.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.946 -8.999 9.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.399 -10.551 10.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.801 -10.252 9.747 1.00 0.00 H new ATOM 544 N PRO A 36 1.046 -13.175 3.397 1.00 0.00 N ATOM 545 CA PRO A 36 0.994 -13.208 1.945 1.00 0.00 C ATOM 546 C PRO A 36 -0.418 -13.531 1.454 1.00 0.00 C ATOM 547 O PRO A 36 -0.967 -12.816 0.617 1.00 0.00 O ATOM 548 CB PRO A 36 2.019 -14.255 1.539 1.00 0.00 C ATOM 549 CG PRO A 36 2.270 -15.096 2.780 1.00 0.00 C ATOM 550 CD PRO A 36 1.689 -14.353 3.972 1.00 0.00 C ATOM 0 HA PRO A 36 1.228 -12.244 1.493 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.646 -14.870 0.720 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.940 -13.786 1.192 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.805 -16.076 2.677 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.338 -15.263 2.918 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.972 -14.971 4.513 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.467 -14.073 4.682 1.00 0.00 H new ATOM 558 N THR A 37 -0.966 -14.609 1.995 1.00 0.00 N ATOM 559 CA THR A 37 -2.304 -15.036 1.622 1.00 0.00 C ATOM 560 C THR A 37 -3.247 -13.834 1.554 1.00 0.00 C ATOM 561 O THR A 37 -3.899 -13.609 0.535 1.00 0.00 O ATOM 562 CB THR A 37 -2.754 -16.106 2.620 1.00 0.00 C ATOM 563 OG1 THR A 37 -2.650 -15.464 3.888 1.00 0.00 O ATOM 564 CG2 THR A 37 -1.769 -17.273 2.711 1.00 0.00 C ATOM 0 H THR A 37 -0.508 -15.200 2.689 1.00 0.00 H new ATOM 0 HA THR A 37 -2.316 -15.476 0.625 1.00 0.00 H new ATOM 0 HB THR A 37 -3.736 -16.482 2.331 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.925 -16.086 4.593 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.136 -18.003 3.432 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.673 -17.745 1.733 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.795 -16.903 3.032 1.00 0.00 H new ATOM 572 N LYS A 38 -3.290 -13.093 2.651 1.00 0.00 N ATOM 573 CA LYS A 38 -4.144 -11.919 2.728 1.00 0.00 C ATOM 574 C LYS A 38 -4.052 -11.140 1.414 1.00 0.00 C ATOM 575 O LYS A 38 -3.124 -11.342 0.632 1.00 0.00 O ATOM 576 CB LYS A 38 -3.797 -11.085 3.963 1.00 0.00 C ATOM 577 CG LYS A 38 -4.985 -11.009 4.925 1.00 0.00 C ATOM 578 CD LYS A 38 -4.981 -9.690 5.699 1.00 0.00 C ATOM 579 CE LYS A 38 -5.705 -9.838 7.038 1.00 0.00 C ATOM 580 NZ LYS A 38 -5.875 -8.517 7.684 1.00 0.00 N ATOM 0 H LYS A 38 -2.748 -13.282 3.494 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.186 -12.213 2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.939 -11.523 4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.507 -10.080 3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.916 -11.104 4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.946 -11.845 5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.954 -9.368 5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.463 -8.914 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.679 -10.301 6.882 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.139 -10.500 7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.829 -8.451 8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.166 -8.405 8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.750 -7.766 6.976 1.00 0.00 H new ATOM 594 N ARG A 39 -5.026 -10.265 1.213 1.00 0.00 N ATOM 595 CA ARG A 39 -5.067 -9.454 0.008 1.00 0.00 C ATOM 596 C ARG A 39 -4.246 -8.177 0.199 1.00 0.00 C ATOM 597 O ARG A 39 -3.582 -8.009 1.220 1.00 0.00 O ATOM 598 CB ARG A 39 -6.505 -9.079 -0.355 1.00 0.00 C ATOM 599 CG ARG A 39 -7.362 -10.329 -0.565 1.00 0.00 C ATOM 600 CD ARG A 39 -8.786 -9.954 -0.979 1.00 0.00 C ATOM 601 NE ARG A 39 -9.755 -10.475 0.011 1.00 0.00 N ATOM 602 CZ ARG A 39 -11.085 -10.399 -0.128 1.00 0.00 C ATOM 603 NH1 ARG A 39 -11.614 -9.822 -1.216 1.00 0.00 N ATOM 604 NH2 ARG A 39 -11.888 -10.899 0.822 1.00 0.00 N ATOM 0 H ARG A 39 -5.793 -10.100 1.865 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.642 -10.045 -0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.936 -8.467 0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.509 -8.475 -1.262 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.911 -10.959 -1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.389 -10.914 0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.878 -8.871 -1.055 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.006 -10.362 -1.965 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.387 -10.920 0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.004 -9.440 -1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.627 -9.764 -1.321 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.486 -11.337 1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.901 -10.841 0.716 1.00 0.00 H new ATOM 618 N LEU A 40 -4.319 -7.310 -0.800 1.00 0.00 N ATOM 619 CA LEU A 40 -3.591 -6.053 -0.755 1.00 0.00 C ATOM 620 C LEU A 40 -4.401 -5.028 0.043 1.00 0.00 C ATOM 621 O LEU A 40 -3.838 -4.095 0.612 1.00 0.00 O ATOM 622 CB LEU A 40 -3.234 -5.589 -2.168 1.00 0.00 C ATOM 623 CG LEU A 40 -1.755 -5.674 -2.549 1.00 0.00 C ATOM 624 CD1 LEU A 40 -1.576 -5.634 -4.067 1.00 0.00 C ATOM 625 CD2 LEU A 40 -0.945 -4.583 -1.847 1.00 0.00 C ATOM 0 H LEU A 40 -4.871 -7.453 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.640 -6.182 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.807 -6.184 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.559 -4.555 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.369 -6.634 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.515 -5.696 -4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.101 -6.476 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.984 -4.701 -4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.103 -4.666 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.325 -3.604 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.035 -4.701 -0.767 1.00 0.00 H new ATOM 637 N GLN A 41 -5.709 -5.238 0.058 1.00 0.00 N ATOM 638 CA GLN A 41 -6.602 -4.344 0.776 1.00 0.00 C ATOM 639 C GLN A 41 -6.719 -4.773 2.239 1.00 0.00 C ATOM 640 O GLN A 41 -6.764 -3.932 3.135 1.00 0.00 O ATOM 641 CB GLN A 41 -7.978 -4.290 0.108 1.00 0.00 C ATOM 642 CG GLN A 41 -8.873 -5.427 0.606 1.00 0.00 C ATOM 643 CD GLN A 41 -10.249 -5.372 -0.061 1.00 0.00 C ATOM 644 OE1 GLN A 41 -10.380 -5.356 -1.273 1.00 0.00 O ATOM 645 NE2 GLN A 41 -11.265 -5.345 0.798 1.00 0.00 N ATOM 0 H GLN A 41 -6.172 -6.014 -0.415 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.180 -3.339 0.745 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.451 -3.331 0.318 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.864 -4.359 -0.974 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.400 -6.386 0.395 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.986 -5.359 1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.085 -5.361 1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.224 -5.309 0.453 1.00 0.00 H new ATOM 654 N GLU A 42 -6.765 -6.083 2.437 1.00 0.00 N ATOM 655 CA GLU A 42 -6.876 -6.634 3.776 1.00 0.00 C ATOM 656 C GLU A 42 -5.574 -6.414 4.550 1.00 0.00 C ATOM 657 O GLU A 42 -5.584 -6.336 5.778 1.00 0.00 O ATOM 658 CB GLU A 42 -7.241 -8.119 3.729 1.00 0.00 C ATOM 659 CG GLU A 42 -8.465 -8.355 2.841 1.00 0.00 C ATOM 660 CD GLU A 42 -9.734 -8.498 3.683 1.00 0.00 C ATOM 661 OE1 GLU A 42 -10.147 -7.472 4.266 1.00 0.00 O ATOM 662 OE2 GLU A 42 -10.263 -9.630 3.725 1.00 0.00 O ATOM 0 H GLU A 42 -6.727 -6.778 1.692 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.679 -6.112 4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.396 -8.693 3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.444 -8.479 4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.578 -7.525 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.317 -9.255 2.244 1.00 0.00 H new ATOM 669 N ALA A 43 -4.486 -6.321 3.801 1.00 0.00 N ATOM 670 CA ALA A 43 -3.179 -6.111 4.401 1.00 0.00 C ATOM 671 C ALA A 43 -2.948 -4.612 4.599 1.00 0.00 C ATOM 672 O ALA A 43 -2.170 -4.209 5.462 1.00 0.00 O ATOM 673 CB ALA A 43 -2.105 -6.756 3.523 1.00 0.00 C ATOM 0 H ALA A 43 -4.482 -6.387 2.783 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.126 -6.584 5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.125 -6.599 3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.298 -7.825 3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.126 -6.304 2.531 1.00 0.00 H new ATOM 679 N LEU A 44 -3.639 -3.827 3.785 1.00 0.00 N ATOM 680 CA LEU A 44 -3.518 -2.381 3.860 1.00 0.00 C ATOM 681 C LEU A 44 -4.638 -1.825 4.742 1.00 0.00 C ATOM 682 O LEU A 44 -4.575 -0.679 5.184 1.00 0.00 O ATOM 683 CB LEU A 44 -3.482 -1.773 2.456 1.00 0.00 C ATOM 684 CG LEU A 44 -2.238 -2.084 1.622 1.00 0.00 C ATOM 685 CD1 LEU A 44 -1.307 -0.873 1.553 1.00 0.00 C ATOM 686 CD2 LEU A 44 -1.522 -3.329 2.150 1.00 0.00 C ATOM 0 H LEU A 44 -4.284 -4.165 3.071 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.574 -2.101 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.358 -2.120 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.572 -0.691 2.548 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.556 -2.303 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.431 -1.121 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.833 -0.035 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.992 -0.598 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.641 -3.528 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.218 -3.163 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.197 -4.184 2.104 1.00 0.00 H new ATOM 698 N GLN A 45 -5.638 -2.664 4.973 1.00 0.00 N ATOM 699 CA GLN A 45 -6.770 -2.271 5.794 1.00 0.00 C ATOM 700 C GLN A 45 -6.288 -1.763 7.154 1.00 0.00 C ATOM 701 O GLN A 45 -6.686 -0.686 7.595 1.00 0.00 O ATOM 702 CB GLN A 45 -7.756 -3.429 5.960 1.00 0.00 C ATOM 703 CG GLN A 45 -9.013 -3.204 5.118 1.00 0.00 C ATOM 704 CD GLN A 45 -10.233 -2.962 6.010 1.00 0.00 C ATOM 705 OE1 GLN A 45 -10.400 -1.911 6.606 1.00 0.00 O ATOM 706 NE2 GLN A 45 -11.073 -3.991 6.067 1.00 0.00 N ATOM 0 H GLN A 45 -5.687 -3.614 4.606 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.295 -1.460 5.290 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.278 -4.363 5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.031 -3.530 7.010 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.865 -2.349 4.458 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.189 -4.071 4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.873 -4.843 5.543 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.918 -3.929 6.635 1.00 0.00 H new ATOM 715 N PRO A 46 -5.415 -2.583 7.798 1.00 0.00 N ATOM 716 CA PRO A 46 -4.874 -2.228 9.099 1.00 0.00 C ATOM 717 C PRO A 46 -3.808 -1.138 8.971 1.00 0.00 C ATOM 718 O PRO A 46 -3.277 -0.663 9.973 1.00 0.00 O ATOM 719 CB PRO A 46 -4.329 -3.528 9.667 1.00 0.00 C ATOM 720 CG PRO A 46 -4.164 -4.464 8.481 1.00 0.00 C ATOM 721 CD PRO A 46 -4.921 -3.866 7.306 1.00 0.00 C ATOM 0 HA PRO A 46 -5.625 -1.802 9.764 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.377 -3.365 10.171 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.012 -3.949 10.405 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.109 -4.585 8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.551 -5.455 8.720 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.270 -3.735 6.441 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.741 -4.512 6.993 1.00 0.00 H new ATOM 729 N ILE A 47 -3.528 -0.772 7.728 1.00 0.00 N ATOM 730 CA ILE A 47 -2.535 0.253 7.456 1.00 0.00 C ATOM 731 C ILE A 47 -3.243 1.580 7.174 1.00 0.00 C ATOM 732 O ILE A 47 -2.822 2.628 7.662 1.00 0.00 O ATOM 733 CB ILE A 47 -1.597 -0.194 6.333 1.00 0.00 C ATOM 734 CG1 ILE A 47 -0.680 -1.326 6.803 1.00 0.00 C ATOM 735 CG2 ILE A 47 -0.806 0.990 5.775 1.00 0.00 C ATOM 736 CD1 ILE A 47 0.064 -0.934 8.081 1.00 0.00 C ATOM 0 H ILE A 47 -3.972 -1.167 6.899 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.899 0.409 8.328 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.204 -0.588 5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.269 -2.225 6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.038 -1.566 6.019 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.147 0.644 4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.496 1.734 5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.210 1.437 6.571 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.708 -1.756 8.393 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.671 -0.049 7.892 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.657 -0.718 8.870 1.00 0.00 H new ATOM 748 N LEU A 48 -4.306 1.492 6.388 1.00 0.00 N ATOM 749 CA LEU A 48 -5.076 2.672 6.035 1.00 0.00 C ATOM 750 C LEU A 48 -5.873 3.139 7.255 1.00 0.00 C ATOM 751 O LEU A 48 -6.000 4.338 7.496 1.00 0.00 O ATOM 752 CB LEU A 48 -5.940 2.400 4.803 1.00 0.00 C ATOM 753 CG LEU A 48 -5.198 1.912 3.557 1.00 0.00 C ATOM 754 CD1 LEU A 48 -6.122 1.094 2.653 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.552 3.080 2.810 1.00 0.00 C ATOM 0 H LEU A 48 -4.652 0.621 5.986 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.412 3.490 5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.692 1.657 5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.473 3.316 4.548 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.393 1.250 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.569 0.760 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.493 0.227 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.963 1.711 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.031 2.705 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.323 3.786 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.840 3.582 3.465 1.00 0.00 H new ATOM 767 N ALA A 49 -6.389 2.166 7.992 1.00 0.00 N ATOM 768 CA ALA A 49 -7.171 2.462 9.180 1.00 0.00 C ATOM 769 C ALA A 49 -6.256 3.061 10.251 1.00 0.00 C ATOM 770 O ALA A 49 -6.713 3.806 11.117 1.00 0.00 O ATOM 771 CB ALA A 49 -7.874 1.191 9.659 1.00 0.00 C ATOM 0 H ALA A 49 -6.281 1.172 7.789 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.944 3.197 8.957 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.461 1.414 10.550 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.533 0.822 8.873 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.130 0.430 9.895 1.00 0.00 H new ATOM 777 N LYS A 50 -4.981 2.714 10.156 1.00 0.00 N ATOM 778 CA LYS A 50 -3.998 3.209 11.105 1.00 0.00 C ATOM 779 C LYS A 50 -3.348 4.476 10.546 1.00 0.00 C ATOM 780 O LYS A 50 -2.629 5.175 11.259 1.00 0.00 O ATOM 781 CB LYS A 50 -2.996 2.109 11.460 1.00 0.00 C ATOM 782 CG LYS A 50 -2.380 2.352 12.839 1.00 0.00 C ATOM 783 CD LYS A 50 -3.151 1.598 13.925 1.00 0.00 C ATOM 784 CE LYS A 50 -2.939 2.243 15.296 1.00 0.00 C ATOM 785 NZ LYS A 50 -1.856 1.553 16.031 1.00 0.00 N ATOM 0 H LYS A 50 -4.606 2.096 9.436 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.479 3.485 12.043 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.495 1.140 11.446 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.208 2.073 10.707 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.339 2.030 12.838 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.384 3.419 13.060 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.214 1.591 13.683 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.824 0.559 13.953 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.690 3.297 15.174 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.863 2.199 15.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.725 2.003 16.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.109 0.553 16.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.972 1.617 15.487 1.00 0.00 H new ATOM 799 N HIS A 51 -3.625 4.735 9.277 1.00 0.00 N ATOM 800 CA HIS A 51 -3.077 5.906 8.615 1.00 0.00 C ATOM 801 C HIS A 51 -4.211 6.859 8.235 1.00 0.00 C ATOM 802 O HIS A 51 -3.989 7.847 7.536 1.00 0.00 O ATOM 803 CB HIS A 51 -2.218 5.499 7.416 1.00 0.00 C ATOM 804 CG HIS A 51 -0.869 4.934 7.790 1.00 0.00 C ATOM 805 ND1 HIS A 51 -0.516 3.617 7.553 1.00 0.00 N ATOM 806 CD2 HIS A 51 0.209 5.520 8.386 1.00 0.00 C ATOM 807 CE1 HIS A 51 0.720 3.430 7.991 1.00 0.00 C ATOM 808 NE2 HIS A 51 1.168 4.610 8.508 1.00 0.00 N ATOM 0 H HIS A 51 -4.222 4.153 8.689 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.416 6.439 9.299 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.760 4.758 6.828 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.071 6.369 6.775 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -1.107 2.910 7.115 1.00 0.00 H new ATOM 0 HD2 HIS A 51 0.272 6.550 8.705 1.00 0.00 H new ATOM 0 HE1 HIS A 51 1.276 2.505 7.947 1.00 0.00 H new ATOM 816 N GLY A 52 -5.403 6.531 8.713 1.00 0.00 N ATOM 817 CA GLY A 52 -6.572 7.345 8.433 1.00 0.00 C ATOM 818 C GLY A 52 -6.841 7.420 6.928 1.00 0.00 C ATOM 819 O GLY A 52 -7.536 8.321 6.462 1.00 0.00 O ATOM 0 H GLY A 52 -5.583 5.712 9.293 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.441 6.927 8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.424 8.349 8.830 1.00 0.00 H new ATOM 823 N LEU A 53 -6.276 6.460 6.210 1.00 0.00 N ATOM 824 CA LEU A 53 -6.445 6.405 4.768 1.00 0.00 C ATOM 825 C LEU A 53 -7.620 5.484 4.432 1.00 0.00 C ATOM 826 O LEU A 53 -8.368 5.077 5.319 1.00 0.00 O ATOM 827 CB LEU A 53 -5.134 6.004 4.089 1.00 0.00 C ATOM 828 CG LEU A 53 -3.921 6.881 4.403 1.00 0.00 C ATOM 829 CD1 LEU A 53 -2.618 6.165 4.038 1.00 0.00 C ATOM 830 CD2 LEU A 53 -4.037 8.244 3.718 1.00 0.00 C ATOM 0 H LEU A 53 -5.701 5.714 6.600 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.690 7.392 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.899 4.978 4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.291 6.008 3.010 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.900 7.062 5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.771 6.810 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.538 5.241 4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.616 5.934 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.162 8.847 3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.097 8.105 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.935 8.752 4.069 1.00 0.00 H new ATOM 842 N SER A 54 -7.744 5.182 3.148 1.00 0.00 N ATOM 843 CA SER A 54 -8.815 4.316 2.683 1.00 0.00 C ATOM 844 C SER A 54 -8.347 3.510 1.470 1.00 0.00 C ATOM 845 O SER A 54 -7.262 3.751 0.942 1.00 0.00 O ATOM 846 CB SER A 54 -10.065 5.125 2.333 1.00 0.00 C ATOM 847 OG SER A 54 -10.725 4.614 1.178 1.00 0.00 O ATOM 0 H SER A 54 -7.121 5.521 2.415 1.00 0.00 H new ATOM 0 HA SER A 54 -9.074 3.630 3.489 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.753 5.114 3.178 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.788 6.165 2.162 1.00 0.00 H new ATOM 0 HG SER A 54 -11.519 5.156 0.988 1.00 0.00 H new ATOM 853 N LEU A 55 -9.188 2.571 1.064 1.00 0.00 N ATOM 854 CA LEU A 55 -8.874 1.728 -0.078 1.00 0.00 C ATOM 855 C LEU A 55 -9.360 2.409 -1.358 1.00 0.00 C ATOM 856 O LEU A 55 -8.758 2.249 -2.419 1.00 0.00 O ATOM 857 CB LEU A 55 -9.439 0.321 0.123 1.00 0.00 C ATOM 858 CG LEU A 55 -8.829 -0.490 1.269 1.00 0.00 C ATOM 859 CD1 LEU A 55 -9.819 -1.534 1.789 1.00 0.00 C ATOM 860 CD2 LEU A 55 -7.500 -1.120 0.847 1.00 0.00 C ATOM 0 H LEU A 55 -10.087 2.375 1.505 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.795 1.602 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.512 0.403 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.305 -0.238 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.616 0.190 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.361 -2.096 2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.717 -1.034 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.086 -2.216 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.087 -1.691 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.665 -1.784 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.799 -0.335 0.563 1.00 0.00 H new ATOM 872 N ASP A 56 -10.446 3.155 -1.218 1.00 0.00 N ATOM 873 CA ASP A 56 -11.021 3.861 -2.350 1.00 0.00 C ATOM 874 C ASP A 56 -10.614 5.335 -2.286 1.00 0.00 C ATOM 875 O ASP A 56 -11.392 6.214 -2.656 1.00 0.00 O ATOM 876 CB ASP A 56 -12.549 3.791 -2.325 1.00 0.00 C ATOM 877 CG ASP A 56 -13.206 3.518 -3.680 1.00 0.00 C ATOM 878 OD1 ASP A 56 -13.424 4.506 -4.414 1.00 0.00 O ATOM 879 OD2 ASP A 56 -13.475 2.328 -3.951 1.00 0.00 O ATOM 0 H ASP A 56 -10.943 3.286 -0.337 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.654 3.391 -3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.851 3.009 -1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.935 4.733 -1.934 1.00 0.00 H new ATOM 884 N GLN A 57 -9.397 5.560 -1.815 1.00 0.00 N ATOM 885 CA GLN A 57 -8.878 6.912 -1.698 1.00 0.00 C ATOM 886 C GLN A 57 -7.439 6.975 -2.215 1.00 0.00 C ATOM 887 O GLN A 57 -7.082 7.887 -2.959 1.00 0.00 O ATOM 888 CB GLN A 57 -8.964 7.409 -0.254 1.00 0.00 C ATOM 889 CG GLN A 57 -10.337 8.019 0.035 1.00 0.00 C ATOM 890 CD GLN A 57 -10.537 9.318 -0.749 1.00 0.00 C ATOM 891 OE1 GLN A 57 -9.720 9.713 -1.565 1.00 0.00 O ATOM 892 NE2 GLN A 57 -11.665 9.958 -0.457 1.00 0.00 N ATOM 0 H GLN A 57 -8.755 4.829 -1.510 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.493 7.571 -2.311 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -8.778 6.582 0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.187 8.152 -0.074 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.118 7.307 -0.230 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.434 8.216 1.103 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.306 9.572 0.237 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.890 10.835 -0.927 1.00 0.00 H new ATOM 901 N VAL A 58 -6.652 5.993 -1.799 1.00 0.00 N ATOM 902 CA VAL A 58 -5.260 5.925 -2.211 1.00 0.00 C ATOM 903 C VAL A 58 -5.137 5.013 -3.432 1.00 0.00 C ATOM 904 O VAL A 58 -5.893 4.052 -3.573 1.00 0.00 O ATOM 905 CB VAL A 58 -4.389 5.473 -1.037 1.00 0.00 C ATOM 906 CG1 VAL A 58 -4.687 6.297 0.217 1.00 0.00 C ATOM 907 CG2 VAL A 58 -4.568 3.978 -0.766 1.00 0.00 C ATOM 0 H VAL A 58 -6.952 5.239 -1.181 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.900 6.911 -2.505 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.347 5.642 -1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.054 5.955 1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.485 7.349 0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.735 6.175 0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.938 3.682 0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.611 3.774 -0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.282 3.411 -1.652 1.00 0.00 H new ATOM 917 N VAL A 59 -4.180 5.345 -4.286 1.00 0.00 N ATOM 918 CA VAL A 59 -3.949 4.568 -5.491 1.00 0.00 C ATOM 919 C VAL A 59 -2.609 3.839 -5.374 1.00 0.00 C ATOM 920 O VAL A 59 -1.571 4.468 -5.172 1.00 0.00 O ATOM 921 CB VAL A 59 -4.031 5.473 -6.722 1.00 0.00 C ATOM 922 CG1 VAL A 59 -3.761 4.682 -8.004 1.00 0.00 C ATOM 923 CG2 VAL A 59 -5.384 6.183 -6.791 1.00 0.00 C ATOM 0 H VAL A 59 -3.555 6.142 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.723 3.810 -5.610 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.257 6.235 -6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.826 5.349 -8.864 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.764 4.244 -7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.501 3.888 -8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.416 6.820 -7.675 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.181 5.442 -6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.520 6.794 -5.899 1.00 0.00 H new ATOM 933 N LEU A 60 -2.674 2.522 -5.506 1.00 0.00 N ATOM 934 CA LEU A 60 -1.479 1.701 -5.417 1.00 0.00 C ATOM 935 C LEU A 60 -1.127 1.168 -6.808 1.00 0.00 C ATOM 936 O LEU A 60 -2.012 0.792 -7.574 1.00 0.00 O ATOM 937 CB LEU A 60 -1.659 0.604 -4.366 1.00 0.00 C ATOM 938 CG LEU A 60 -0.374 0.037 -3.760 1.00 0.00 C ATOM 939 CD1 LEU A 60 0.500 -0.611 -4.835 1.00 0.00 C ATOM 940 CD2 LEU A 60 0.383 1.112 -2.977 1.00 0.00 C ATOM 0 H LEU A 60 -3.536 2.003 -5.674 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.632 2.298 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.274 1.000 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.217 -0.216 -4.818 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.646 -0.746 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.407 -1.006 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.050 -1.423 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.767 0.134 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.293 0.683 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.644 1.933 -3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.248 1.487 -2.171 1.00 0.00 H new ATOM 952 N HIS A 61 0.167 1.153 -7.090 1.00 0.00 N ATOM 953 CA HIS A 61 0.647 0.673 -8.375 1.00 0.00 C ATOM 954 C HIS A 61 2.177 0.652 -8.376 1.00 0.00 C ATOM 955 O HIS A 61 2.816 1.695 -8.254 1.00 0.00 O ATOM 956 CB HIS A 61 0.065 1.506 -9.518 1.00 0.00 C ATOM 957 CG HIS A 61 0.651 2.894 -9.627 1.00 0.00 C ATOM 958 ND1 HIS A 61 1.873 3.147 -10.226 1.00 0.00 N ATOM 959 CD2 HIS A 61 0.170 4.100 -9.209 1.00 0.00 C ATOM 960 CE1 HIS A 61 2.107 4.450 -10.164 1.00 0.00 C ATOM 961 NE2 HIS A 61 1.051 5.038 -9.533 1.00 0.00 N ATOM 0 H HIS A 61 0.898 1.465 -6.451 1.00 0.00 H new ATOM 0 HA HIS A 61 0.304 -0.349 -8.537 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.229 0.979 -10.458 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.013 1.588 -9.382 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.769 4.264 -8.701 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.981 4.957 -10.546 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.954 6.035 -9.341 1.00 0.00 H new ATOM 969 N ARG A 62 2.720 -0.549 -8.515 1.00 0.00 N ATOM 970 CA ARG A 62 4.163 -0.720 -8.533 1.00 0.00 C ATOM 971 C ARG A 62 4.799 0.241 -9.539 1.00 0.00 C ATOM 972 O ARG A 62 4.141 0.687 -10.478 1.00 0.00 O ATOM 973 CB ARG A 62 4.542 -2.156 -8.901 1.00 0.00 C ATOM 974 CG ARG A 62 3.739 -2.644 -10.108 1.00 0.00 C ATOM 975 CD ARG A 62 4.349 -3.920 -10.693 1.00 0.00 C ATOM 976 NE ARG A 62 5.386 -3.574 -11.690 1.00 0.00 N ATOM 977 CZ ARG A 62 6.150 -4.476 -12.323 1.00 0.00 C ATOM 978 NH1 ARG A 62 5.997 -5.782 -12.065 1.00 0.00 N ATOM 979 NH2 ARG A 62 7.066 -4.071 -13.213 1.00 0.00 N ATOM 0 H ARG A 62 2.187 -1.413 -8.616 1.00 0.00 H new ATOM 0 HA ARG A 62 4.535 -0.502 -7.532 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.608 -2.209 -9.124 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.361 -2.813 -8.050 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.707 -2.833 -9.811 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.713 -1.866 -10.871 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.785 -4.523 -9.896 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.571 -4.524 -11.160 1.00 0.00 H new ATOM 0 HE ARG A 62 5.529 -2.588 -11.909 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.300 -6.090 -11.387 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.578 -6.468 -12.546 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.182 -3.077 -13.409 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.647 -4.757 -13.695 1.00 0.00 H new ATOM 993 N PRO A 63 6.104 0.541 -9.302 1.00 0.00 N ATOM 994 CA PRO A 63 6.836 1.441 -10.176 1.00 0.00 C ATOM 995 C PRO A 63 7.197 0.753 -11.494 1.00 0.00 C ATOM 996 O PRO A 63 7.932 -0.233 -11.503 1.00 0.00 O ATOM 997 CB PRO A 63 8.055 1.864 -9.373 1.00 0.00 C ATOM 998 CG PRO A 63 8.205 0.832 -8.268 1.00 0.00 C ATOM 999 CD PRO A 63 6.915 0.032 -8.200 1.00 0.00 C ATOM 0 HA PRO A 63 6.249 2.311 -10.471 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.945 1.895 -10.002 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.922 2.863 -8.959 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.051 0.176 -8.471 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.402 1.320 -7.314 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.105 -1.036 -8.309 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.413 0.171 -7.242 1.00 0.00 H new ATOM 1007 N GLY A 64 6.664 1.301 -12.576 1.00 0.00 N ATOM 1008 CA GLY A 64 6.920 0.752 -13.897 1.00 0.00 C ATOM 1009 C GLY A 64 5.617 0.569 -14.678 1.00 0.00 C ATOM 1010 O GLY A 64 5.565 0.837 -15.877 1.00 0.00 O ATOM 0 H GLY A 64 6.056 2.120 -12.565 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.587 1.415 -14.447 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.430 -0.207 -13.803 1.00 0.00 H new ATOM 1014 N GLU A 65 4.597 0.113 -13.966 1.00 0.00 N ATOM 1015 CA GLU A 65 3.298 -0.108 -14.577 1.00 0.00 C ATOM 1016 C GLU A 65 2.679 1.223 -15.008 1.00 0.00 C ATOM 1017 O GLU A 65 3.320 2.269 -14.911 1.00 0.00 O ATOM 1018 CB GLU A 65 2.366 -0.863 -13.626 1.00 0.00 C ATOM 1019 CG GLU A 65 2.903 -2.265 -13.331 1.00 0.00 C ATOM 1020 CD GLU A 65 3.045 -3.081 -14.618 1.00 0.00 C ATOM 1021 OE1 GLU A 65 2.204 -2.870 -15.518 1.00 0.00 O ATOM 1022 OE2 GLU A 65 3.990 -3.896 -14.672 1.00 0.00 O ATOM 0 H GLU A 65 4.644 -0.109 -12.972 1.00 0.00 H new ATOM 0 HA GLU A 65 3.437 -0.725 -15.464 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.262 -0.306 -12.695 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.372 -0.936 -14.067 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.871 -2.191 -12.835 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.231 -2.778 -12.643 1.00 0.00 H new ATOM 1029 N LYS A 66 1.442 1.141 -15.474 1.00 0.00 N ATOM 1030 CA LYS A 66 0.730 2.327 -15.920 1.00 0.00 C ATOM 1031 C LYS A 66 -0.532 2.507 -15.074 1.00 0.00 C ATOM 1032 O LYS A 66 -0.570 3.350 -14.180 1.00 0.00 O ATOM 1033 CB LYS A 66 0.458 2.255 -17.423 1.00 0.00 C ATOM 1034 CG LYS A 66 0.200 3.648 -18.002 1.00 0.00 C ATOM 1035 CD LYS A 66 -1.218 3.753 -18.565 1.00 0.00 C ATOM 1036 CE LYS A 66 -2.064 4.727 -17.741 1.00 0.00 C ATOM 1037 NZ LYS A 66 -1.699 6.126 -18.058 1.00 0.00 N ATOM 0 H LYS A 66 0.914 0.272 -15.553 1.00 0.00 H new ATOM 0 HA LYS A 66 1.342 3.217 -15.773 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.309 1.799 -17.929 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.404 1.614 -17.610 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.344 4.400 -17.227 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.924 3.859 -18.789 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.178 4.088 -19.602 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.687 2.769 -18.566 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.122 4.565 -17.949 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.915 4.538 -16.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.282 6.774 -17.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.695 6.281 -17.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.864 6.307 -19.069 1.00 0.00 H new ATOM 1051 N GLN A 67 -1.535 1.699 -15.387 1.00 0.00 N ATOM 1052 CA GLN A 67 -2.796 1.759 -14.667 1.00 0.00 C ATOM 1053 C GLN A 67 -2.590 1.370 -13.202 1.00 0.00 C ATOM 1054 O GLN A 67 -1.565 0.789 -12.848 1.00 0.00 O ATOM 1055 CB GLN A 67 -3.847 0.865 -15.328 1.00 0.00 C ATOM 1056 CG GLN A 67 -4.841 1.697 -16.141 1.00 0.00 C ATOM 1057 CD GLN A 67 -6.004 0.833 -16.636 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -6.965 0.578 -15.929 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -5.863 0.400 -17.885 1.00 0.00 N ATOM 0 H GLN A 67 -1.500 1.000 -16.129 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.164 2.785 -14.702 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.357 0.140 -15.978 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.380 0.299 -14.564 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.224 2.513 -15.528 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.332 2.150 -16.992 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.032 0.651 -18.421 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.585 -0.183 -18.307 1.00 0.00 H new ATOM 1068 N PRO A 68 -3.606 1.716 -12.367 1.00 0.00 N ATOM 1069 CA PRO A 68 -3.546 1.410 -10.948 1.00 0.00 C ATOM 1070 C PRO A 68 -3.799 -0.078 -10.697 1.00 0.00 C ATOM 1071 O PRO A 68 -4.738 -0.653 -11.247 1.00 0.00 O ATOM 1072 CB PRO A 68 -4.592 2.307 -10.307 1.00 0.00 C ATOM 1073 CG PRO A 68 -5.516 2.741 -11.433 1.00 0.00 C ATOM 1074 CD PRO A 68 -4.835 2.405 -12.750 1.00 0.00 C ATOM 0 HA PRO A 68 -2.562 1.599 -10.518 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.143 1.773 -9.533 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.127 3.169 -9.829 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.476 2.230 -11.358 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.719 3.810 -11.370 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.467 1.771 -13.372 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.621 3.305 -13.326 1.00 0.00 H new ATOM 1082 N MET A 69 -2.947 -0.659 -9.865 1.00 0.00 N ATOM 1083 CA MET A 69 -3.067 -2.069 -9.535 1.00 0.00 C ATOM 1084 C MET A 69 -4.284 -2.321 -8.642 1.00 0.00 C ATOM 1085 O MET A 69 -4.855 -1.384 -8.086 1.00 0.00 O ATOM 1086 CB MET A 69 -1.800 -2.534 -8.814 1.00 0.00 C ATOM 1087 CG MET A 69 -0.698 -2.888 -9.815 1.00 0.00 C ATOM 1088 SD MET A 69 -0.012 -4.489 -9.427 1.00 0.00 S ATOM 1089 CE MET A 69 0.214 -4.310 -7.665 1.00 0.00 C ATOM 0 H MET A 69 -2.171 -0.179 -9.410 1.00 0.00 H new ATOM 0 HA MET A 69 -3.196 -2.630 -10.461 1.00 0.00 H new ATOM 0 HB2 MET A 69 -1.449 -1.749 -8.144 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.027 -3.402 -8.196 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.102 -2.892 -10.827 1.00 0.00 H new ATOM 0 HG3 MET A 69 0.086 -2.131 -9.788 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.003 -4.983 -7.329 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.493 -3.281 -7.437 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.716 -4.556 -7.152 1.00 0.00 H new ATOM 1099 N ASP A 70 -4.645 -3.591 -8.533 1.00 0.00 N ATOM 1100 CA ASP A 70 -5.783 -3.978 -7.717 1.00 0.00 C ATOM 1101 C ASP A 70 -5.289 -4.429 -6.341 1.00 0.00 C ATOM 1102 O ASP A 70 -4.111 -4.736 -6.171 1.00 0.00 O ATOM 1103 CB ASP A 70 -6.544 -5.144 -8.352 1.00 0.00 C ATOM 1104 CG ASP A 70 -8.017 -5.248 -7.953 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -8.384 -4.585 -6.958 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -8.744 -5.988 -8.651 1.00 0.00 O ATOM 0 H ASP A 70 -4.169 -4.365 -8.996 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.446 -3.117 -7.633 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.482 -5.051 -9.436 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.044 -6.074 -8.083 1.00 0.00 H new ATOM 1111 N LEU A 71 -6.216 -4.455 -5.395 1.00 0.00 N ATOM 1112 CA LEU A 71 -5.890 -4.863 -4.039 1.00 0.00 C ATOM 1113 C LEU A 71 -6.334 -6.312 -3.826 1.00 0.00 C ATOM 1114 O LEU A 71 -5.855 -6.984 -2.915 1.00 0.00 O ATOM 1115 CB LEU A 71 -6.485 -3.883 -3.026 1.00 0.00 C ATOM 1116 CG LEU A 71 -6.185 -2.402 -3.270 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -7.345 -1.523 -2.798 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -4.859 -1.998 -2.623 1.00 0.00 C ATOM 0 H LEU A 71 -7.193 -4.200 -5.541 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.812 -4.833 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.567 -4.017 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.119 -4.149 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.080 -2.247 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.106 -0.476 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.250 -1.791 -3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.506 -1.676 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.669 -0.941 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.911 -2.172 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.051 -2.593 -3.048 1.00 0.00 H new ATOM 1130 N GLU A 72 -7.245 -6.750 -4.683 1.00 0.00 N ATOM 1131 CA GLU A 72 -7.759 -8.106 -4.601 1.00 0.00 C ATOM 1132 C GLU A 72 -6.606 -9.113 -4.624 1.00 0.00 C ATOM 1133 O GLU A 72 -6.723 -10.208 -4.077 1.00 0.00 O ATOM 1134 CB GLU A 72 -8.753 -8.385 -5.730 1.00 0.00 C ATOM 1135 CG GLU A 72 -10.146 -7.861 -5.376 1.00 0.00 C ATOM 1136 CD GLU A 72 -10.926 -8.888 -4.553 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -10.921 -10.068 -4.966 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -11.509 -8.471 -3.529 1.00 0.00 O ATOM 0 H GLU A 72 -7.640 -6.189 -5.438 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.292 -8.215 -3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.406 -7.914 -6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.801 -9.457 -5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.057 -6.932 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.694 -7.630 -6.289 1.00 0.00 H new ATOM 1145 N ASN A 73 -5.520 -8.705 -5.263 1.00 0.00 N ATOM 1146 CA ASN A 73 -4.347 -9.558 -5.364 1.00 0.00 C ATOM 1147 C ASN A 73 -3.675 -9.659 -3.994 1.00 0.00 C ATOM 1148 O ASN A 73 -3.657 -8.691 -3.235 1.00 0.00 O ATOM 1149 CB ASN A 73 -3.329 -8.979 -6.349 1.00 0.00 C ATOM 1150 CG ASN A 73 -3.149 -7.476 -6.131 1.00 0.00 C ATOM 1151 OD1 ASN A 73 -3.653 -6.895 -5.184 1.00 0.00 O ATOM 1152 ND2 ASN A 73 -2.404 -6.880 -7.058 1.00 0.00 N ATOM 0 H ASN A 73 -5.427 -7.796 -5.716 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.672 -10.538 -5.715 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.371 -9.485 -6.227 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.660 -9.165 -7.371 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.225 -5.877 -7.001 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.012 -7.426 -7.825 1.00 0.00 H new ATOM 1159 N PRO A 74 -3.125 -10.870 -3.711 1.00 0.00 N ATOM 1160 CA PRO A 74 -2.454 -11.110 -2.445 1.00 0.00 C ATOM 1161 C PRO A 74 -1.079 -10.440 -2.418 1.00 0.00 C ATOM 1162 O PRO A 74 -0.387 -10.393 -3.435 1.00 0.00 O ATOM 1163 CB PRO A 74 -2.381 -12.623 -2.319 1.00 0.00 C ATOM 1164 CG PRO A 74 -2.592 -13.169 -3.722 1.00 0.00 C ATOM 1165 CD PRO A 74 -3.128 -12.039 -4.586 1.00 0.00 C ATOM 0 HA PRO A 74 -2.987 -10.679 -1.598 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.416 -12.935 -1.919 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.145 -12.995 -1.636 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.655 -13.549 -4.129 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.294 -14.003 -3.706 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.500 -11.879 -5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.132 -12.260 -4.949 1.00 0.00 H new ATOM 1173 N VAL A 75 -0.722 -9.939 -1.244 1.00 0.00 N ATOM 1174 CA VAL A 75 0.558 -9.275 -1.072 1.00 0.00 C ATOM 1175 C VAL A 75 1.683 -10.237 -1.458 1.00 0.00 C ATOM 1176 O VAL A 75 2.810 -9.811 -1.708 1.00 0.00 O ATOM 1177 CB VAL A 75 0.686 -8.749 0.359 1.00 0.00 C ATOM 1178 CG1 VAL A 75 -0.269 -7.578 0.600 1.00 0.00 C ATOM 1179 CG2 VAL A 75 0.453 -9.867 1.377 1.00 0.00 C ATOM 0 H VAL A 75 -1.298 -9.980 -0.403 1.00 0.00 H new ATOM 0 HA VAL A 75 0.631 -8.409 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 75 1.704 -8.383 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.158 -7.223 1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.035 -6.769 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.296 -7.907 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.550 -9.466 2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.548 -10.277 1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.191 -10.655 1.227 1.00 0.00 H new ATOM 1189 N SER A 76 1.339 -11.516 -1.495 1.00 0.00 N ATOM 1190 CA SER A 76 2.306 -12.541 -1.847 1.00 0.00 C ATOM 1191 C SER A 76 2.828 -12.304 -3.265 1.00 0.00 C ATOM 1192 O SER A 76 3.882 -12.818 -3.636 1.00 0.00 O ATOM 1193 CB SER A 76 1.692 -13.939 -1.734 1.00 0.00 C ATOM 1194 OG SER A 76 2.639 -14.902 -1.280 1.00 0.00 O ATOM 0 H SER A 76 0.404 -11.866 -1.287 1.00 0.00 H new ATOM 0 HA SER A 76 3.138 -12.481 -1.146 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.847 -13.909 -1.046 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.302 -14.244 -2.705 1.00 0.00 H new ATOM 0 HG SER A 76 2.175 -15.735 -1.052 1.00 0.00 H new ATOM 1200 N SER A 77 2.067 -11.525 -4.019 1.00 0.00 N ATOM 1201 CA SER A 77 2.440 -11.213 -5.388 1.00 0.00 C ATOM 1202 C SER A 77 3.235 -9.907 -5.430 1.00 0.00 C ATOM 1203 O SER A 77 4.119 -9.740 -6.268 1.00 0.00 O ATOM 1204 CB SER A 77 1.205 -11.111 -6.286 1.00 0.00 C ATOM 1205 OG SER A 77 1.304 -11.958 -7.428 1.00 0.00 O ATOM 0 H SER A 77 1.193 -11.100 -3.708 1.00 0.00 H new ATOM 0 HA SER A 77 3.064 -12.023 -5.765 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.317 -11.377 -5.713 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.077 -10.078 -6.610 1.00 0.00 H new ATOM 0 HG SER A 77 0.496 -11.866 -7.975 1.00 0.00 H new ATOM 1211 N VAL A 78 2.892 -9.013 -4.513 1.00 0.00 N ATOM 1212 CA VAL A 78 3.563 -7.727 -4.435 1.00 0.00 C ATOM 1213 C VAL A 78 4.736 -7.827 -3.457 1.00 0.00 C ATOM 1214 O VAL A 78 5.259 -6.810 -3.003 1.00 0.00 O ATOM 1215 CB VAL A 78 2.560 -6.635 -4.055 1.00 0.00 C ATOM 1216 CG1 VAL A 78 1.296 -6.731 -4.913 1.00 0.00 C ATOM 1217 CG2 VAL A 78 2.217 -6.699 -2.566 1.00 0.00 C ATOM 0 H VAL A 78 2.159 -9.154 -3.818 1.00 0.00 H new ATOM 0 HA VAL A 78 3.972 -7.450 -5.407 1.00 0.00 H new ATOM 0 HB VAL A 78 3.026 -5.669 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.599 -5.944 -4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.560 -6.613 -5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.828 -7.704 -4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.503 -5.912 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.780 -7.670 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.124 -6.560 -1.977 1.00 0.00 H new ATOM 1227 N ALA A 79 5.113 -9.062 -3.160 1.00 0.00 N ATOM 1228 CA ALA A 79 6.214 -9.308 -2.244 1.00 0.00 C ATOM 1229 C ALA A 79 7.531 -8.924 -2.922 1.00 0.00 C ATOM 1230 O ALA A 79 7.712 -9.160 -4.115 1.00 0.00 O ATOM 1231 CB ALA A 79 6.192 -10.772 -1.801 1.00 0.00 C ATOM 0 H ALA A 79 4.676 -9.903 -3.537 1.00 0.00 H new ATOM 0 HA ALA A 79 6.113 -8.695 -1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.018 -10.957 -1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.248 -10.986 -1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.294 -11.418 -2.673 1.00 0.00 H new ATOM 1237 N SER A 80 8.418 -8.337 -2.130 1.00 0.00 N ATOM 1238 CA SER A 80 9.713 -7.918 -2.639 1.00 0.00 C ATOM 1239 C SER A 80 9.549 -6.693 -3.540 1.00 0.00 C ATOM 1240 O SER A 80 8.511 -6.519 -4.175 1.00 0.00 O ATOM 1241 CB SER A 80 10.397 -9.052 -3.404 1.00 0.00 C ATOM 1242 OG SER A 80 11.572 -9.511 -2.741 1.00 0.00 O ATOM 0 H SER A 80 8.265 -8.142 -1.141 1.00 0.00 H new ATOM 0 HA SER A 80 10.345 -7.655 -1.791 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.700 -9.882 -3.522 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.657 -8.709 -4.405 1.00 0.00 H new ATOM 0 HG SER A 80 11.978 -10.236 -3.260 1.00 0.00 H new ATOM 1248 N GLN A 81 10.591 -5.875 -3.567 1.00 0.00 N ATOM 1249 CA GLN A 81 10.576 -4.671 -4.381 1.00 0.00 C ATOM 1250 C GLN A 81 9.887 -3.531 -3.628 1.00 0.00 C ATOM 1251 O GLN A 81 9.456 -3.705 -2.490 1.00 0.00 O ATOM 1252 CB GLN A 81 9.898 -4.927 -5.728 1.00 0.00 C ATOM 1253 CG GLN A 81 10.654 -4.234 -6.863 1.00 0.00 C ATOM 1254 CD GLN A 81 10.392 -4.929 -8.201 1.00 0.00 C ATOM 1255 OE1 GLN A 81 9.268 -5.042 -8.661 1.00 0.00 O ATOM 1256 NE2 GLN A 81 11.489 -5.385 -8.798 1.00 0.00 N ATOM 0 H GLN A 81 11.451 -6.022 -3.039 1.00 0.00 H new ATOM 0 HA GLN A 81 11.607 -4.378 -4.581 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.852 -5.999 -5.918 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.870 -4.565 -5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.347 -3.190 -6.925 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.723 -4.240 -6.649 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.400 -5.257 -8.358 1.00 0.00 H new ATOM 0 HE22 GLN A 81 11.420 -5.863 -9.696 1.00 0.00 H new ATOM 1265 N THR A 82 9.805 -2.388 -4.295 1.00 0.00 N ATOM 1266 CA THR A 82 9.176 -1.220 -3.703 1.00 0.00 C ATOM 1267 C THR A 82 7.959 -0.795 -4.527 1.00 0.00 C ATOM 1268 O THR A 82 8.032 -0.713 -5.753 1.00 0.00 O ATOM 1269 CB THR A 82 10.236 -0.125 -3.577 1.00 0.00 C ATOM 1270 OG1 THR A 82 11.171 -0.653 -2.641 1.00 0.00 O ATOM 1271 CG2 THR A 82 9.699 1.136 -2.897 1.00 0.00 C ATOM 0 H THR A 82 10.164 -2.247 -5.239 1.00 0.00 H new ATOM 0 HA THR A 82 8.794 -1.439 -2.706 1.00 0.00 H new ATOM 0 HB THR A 82 10.613 0.130 -4.567 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.894 -0.007 -2.501 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.492 1.881 -2.833 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.870 1.538 -3.479 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.352 0.889 -1.894 1.00 0.00 H new ATOM 1279 N LEU A 83 6.867 -0.537 -3.822 1.00 0.00 N ATOM 1280 CA LEU A 83 5.636 -0.123 -4.473 1.00 0.00 C ATOM 1281 C LEU A 83 5.566 1.405 -4.497 1.00 0.00 C ATOM 1282 O LEU A 83 6.396 2.078 -3.887 1.00 0.00 O ATOM 1283 CB LEU A 83 4.429 -0.784 -3.805 1.00 0.00 C ATOM 1284 CG LEU A 83 4.149 -2.233 -4.207 1.00 0.00 C ATOM 1285 CD1 LEU A 83 2.940 -2.788 -3.452 1.00 0.00 C ATOM 1286 CD2 LEU A 83 3.987 -2.360 -5.723 1.00 0.00 C ATOM 0 H LEU A 83 6.809 -0.607 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 83 5.621 -0.459 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.572 -0.749 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.544 -0.188 -4.029 1.00 0.00 H new ATOM 0 HG LEU A 83 5.010 -2.838 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.763 -3.819 -3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.134 -2.754 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.061 -2.186 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.789 -3.400 -5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.154 -1.739 -6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.902 -2.032 -6.215 1.00 0.00 H new ATOM 1298 N VAL A 84 4.567 1.909 -5.207 1.00 0.00 N ATOM 1299 CA VAL A 84 4.378 3.345 -5.318 1.00 0.00 C ATOM 1300 C VAL A 84 2.939 3.697 -4.934 1.00 0.00 C ATOM 1301 O VAL A 84 1.997 3.044 -5.380 1.00 0.00 O ATOM 1302 CB VAL A 84 4.753 3.815 -6.725 1.00 0.00 C ATOM 1303 CG1 VAL A 84 4.378 5.284 -6.931 1.00 0.00 C ATOM 1304 CG2 VAL A 84 6.240 3.585 -7.002 1.00 0.00 C ATOM 0 H VAL A 84 3.880 1.348 -5.711 1.00 0.00 H new ATOM 0 HA VAL A 84 5.037 3.871 -4.627 1.00 0.00 H new ATOM 0 HB VAL A 84 4.183 3.221 -7.439 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.655 5.592 -7.939 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.303 5.408 -6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.908 5.900 -6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.480 3.928 -8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.835 4.141 -6.278 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.466 2.522 -6.917 1.00 0.00 H new ATOM 1314 N LEU A 85 2.815 4.728 -4.111 1.00 0.00 N ATOM 1315 CA LEU A 85 1.508 5.174 -3.662 1.00 0.00 C ATOM 1316 C LEU A 85 1.281 6.616 -4.120 1.00 0.00 C ATOM 1317 O LEU A 85 2.176 7.453 -4.014 1.00 0.00 O ATOM 1318 CB LEU A 85 1.364 4.979 -2.152 1.00 0.00 C ATOM 1319 CG LEU A 85 -0.019 5.271 -1.566 1.00 0.00 C ATOM 1320 CD1 LEU A 85 -0.218 6.772 -1.351 1.00 0.00 C ATOM 1321 CD2 LEU A 85 -1.122 4.665 -2.436 1.00 0.00 C ATOM 0 H LEU A 85 3.599 5.267 -3.744 1.00 0.00 H new ATOM 0 HA LEU A 85 0.723 4.568 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.628 3.949 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.091 5.619 -1.652 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.083 4.795 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.209 6.952 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.539 7.144 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.126 7.291 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.095 4.887 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.070 5.091 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.988 3.585 -2.493 1.00 0.00 H new ATOM 1333 N ASP A 86 0.079 6.862 -4.620 1.00 0.00 N ATOM 1334 CA ASP A 86 -0.277 8.189 -5.095 1.00 0.00 C ATOM 1335 C ASP A 86 -1.488 8.699 -4.310 1.00 0.00 C ATOM 1336 O ASP A 86 -2.615 8.647 -4.798 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.653 8.160 -6.578 1.00 0.00 C ATOM 1338 CG ASP A 86 -0.388 9.462 -7.337 1.00 0.00 C ATOM 1339 OD1 ASP A 86 -0.279 10.504 -6.656 1.00 0.00 O ATOM 1340 OD2 ASP A 86 -0.301 9.385 -8.582 1.00 0.00 O ATOM 0 H ASP A 86 -0.661 6.165 -4.707 1.00 0.00 H new ATOM 0 HA ASP A 86 0.585 8.841 -4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.099 7.355 -7.062 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.712 7.915 -6.664 1.00 0.00 H new ATOM 1345 N THR A 87 -1.212 9.180 -3.107 1.00 0.00 N ATOM 1346 CA THR A 87 -2.264 9.699 -2.249 1.00 0.00 C ATOM 1347 C THR A 87 -3.255 10.531 -3.066 1.00 0.00 C ATOM 1348 O THR A 87 -2.920 11.021 -4.143 1.00 0.00 O ATOM 1349 CB THR A 87 -1.604 10.482 -1.113 1.00 0.00 C ATOM 1350 OG1 THR A 87 -0.769 11.425 -1.780 1.00 0.00 O ATOM 1351 CG2 THR A 87 -0.628 9.628 -0.302 1.00 0.00 C ATOM 0 H THR A 87 -0.275 9.221 -2.706 1.00 0.00 H new ATOM 0 HA THR A 87 -2.850 8.893 -1.809 1.00 0.00 H new ATOM 0 HB THR A 87 -2.374 10.879 -0.452 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.304 11.977 -1.117 1.00 0.00 H new ATOM 0 HG21 THR A 87 -0.188 10.232 0.491 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.161 8.785 0.138 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.161 9.257 -0.956 1.00 0.00 H new ATOM 1359 N PRO A 88 -4.487 10.668 -2.507 1.00 0.00 N ATOM 1360 CA PRO A 88 -5.530 11.432 -3.171 1.00 0.00 C ATOM 1361 C PRO A 88 -5.269 12.935 -3.049 1.00 0.00 C ATOM 1362 O PRO A 88 -4.402 13.359 -2.287 1.00 0.00 O ATOM 1363 CB PRO A 88 -6.823 10.997 -2.502 1.00 0.00 C ATOM 1364 CG PRO A 88 -6.417 10.359 -1.183 1.00 0.00 C ATOM 1365 CD PRO A 88 -4.920 10.101 -1.232 1.00 0.00 C ATOM 0 HA PRO A 88 -5.571 11.245 -4.244 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.483 11.849 -2.337 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.367 10.289 -3.127 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.664 11.016 -0.349 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.960 9.427 -1.026 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.409 10.575 -0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.700 9.035 -1.178 1.00 0.00 H new ATOM 1373 N PRO A 89 -6.057 13.719 -3.833 1.00 0.00 N ATOM 1374 CA PRO A 89 -5.920 15.166 -3.821 1.00 0.00 C ATOM 1375 C PRO A 89 -6.529 15.763 -2.551 1.00 0.00 C ATOM 1376 O PRO A 89 -7.424 16.604 -2.623 1.00 0.00 O ATOM 1377 CB PRO A 89 -6.612 15.637 -5.090 1.00 0.00 C ATOM 1378 CG PRO A 89 -7.509 14.490 -5.526 1.00 0.00 C ATOM 1379 CD PRO A 89 -7.094 13.252 -4.748 1.00 0.00 C ATOM 0 HA PRO A 89 -4.879 15.490 -3.807 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.194 16.540 -4.905 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.884 15.880 -5.864 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.555 14.729 -5.334 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.414 14.317 -6.598 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -7.937 12.824 -4.206 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -6.715 12.475 -5.412 1.00 0.00 H new ATOM 1387 N ASP A 90 -6.020 15.305 -1.417 1.00 0.00 N ATOM 1388 CA ASP A 90 -6.503 15.784 -0.132 1.00 0.00 C ATOM 1389 C ASP A 90 -5.368 15.717 0.891 1.00 0.00 C ATOM 1390 O ASP A 90 -5.017 16.726 1.502 1.00 0.00 O ATOM 1391 CB ASP A 90 -7.654 14.917 0.381 1.00 0.00 C ATOM 1392 CG ASP A 90 -8.711 15.664 1.198 1.00 0.00 C ATOM 1393 OD1 ASP A 90 -9.510 16.387 0.565 1.00 0.00 O ATOM 1394 OD2 ASP A 90 -8.695 15.494 2.436 1.00 0.00 O ATOM 0 H ASP A 90 -5.278 14.607 -1.361 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.853 16.808 -0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.142 14.445 -0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.241 14.117 0.995 1.00 0.00 H new ATOM 1399 N ALA A 91 -4.825 14.519 1.048 1.00 0.00 N ATOM 1400 CA ALA A 91 -3.736 14.307 1.987 1.00 0.00 C ATOM 1401 C ALA A 91 -2.568 15.226 1.623 1.00 0.00 C ATOM 1402 O ALA A 91 -1.985 15.099 0.548 1.00 0.00 O ATOM 1403 CB ALA A 91 -3.339 12.829 1.983 1.00 0.00 C ATOM 0 H ALA A 91 -5.119 13.684 0.541 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.049 14.558 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.522 12.670 2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.195 12.222 2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.016 12.542 0.982 1.00 0.00 H new ATOM 1409 N LYS A 92 -2.262 16.131 2.541 1.00 0.00 N ATOM 1410 CA LYS A 92 -1.174 17.071 2.330 1.00 0.00 C ATOM 1411 C LYS A 92 0.088 16.546 3.017 1.00 0.00 C ATOM 1412 O LYS A 92 1.058 16.188 2.352 1.00 0.00 O ATOM 1413 CB LYS A 92 -1.583 18.474 2.784 1.00 0.00 C ATOM 1414 CG LYS A 92 -2.083 19.308 1.603 1.00 0.00 C ATOM 1415 CD LYS A 92 -0.995 20.263 1.106 1.00 0.00 C ATOM 1416 CE LYS A 92 -0.621 19.960 -0.346 1.00 0.00 C ATOM 1417 NZ LYS A 92 0.430 20.889 -0.815 1.00 0.00 N ATOM 0 H LYS A 92 -2.748 16.233 3.432 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.946 17.158 1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.365 18.402 3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.733 18.971 3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.391 18.648 0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.963 19.878 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.344 21.292 1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.112 20.175 1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.270 18.932 -0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.503 20.049 -0.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.672 20.669 -1.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.082 21.867 -0.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.276 20.785 -0.220 1.00 0.00 H new ATOM 1431 N MET A 93 0.035 16.518 4.341 1.00 0.00 N ATOM 1432 CA MET A 93 1.161 16.043 5.126 1.00 0.00 C ATOM 1433 C MET A 93 2.399 16.911 4.889 1.00 0.00 C ATOM 1434 O MET A 93 2.590 17.442 3.796 1.00 0.00 O ATOM 1435 CB MET A 93 1.474 14.594 4.746 1.00 0.00 C ATOM 1436 CG MET A 93 1.924 13.791 5.968 1.00 0.00 C ATOM 1437 SD MET A 93 1.373 12.100 5.824 1.00 0.00 S ATOM 1438 CE MET A 93 0.391 11.966 7.309 1.00 0.00 C ATOM 0 H MET A 93 -0.771 16.817 4.890 1.00 0.00 H new ATOM 0 HA MET A 93 0.895 16.102 6.181 1.00 0.00 H new ATOM 0 HB2 MET A 93 0.590 14.131 4.307 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.255 14.574 3.986 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.010 13.822 6.054 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.519 14.238 6.876 1.00 0.00 H new ATOM 0 HE1 MET A 93 -0.032 10.964 7.377 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.020 12.154 8.179 1.00 0.00 H new ATOM 0 HE3 MET A 93 -0.416 12.698 7.279 1.00 0.00 H new ATOM 1448 N SER A 94 3.208 17.028 5.932 1.00 0.00 N ATOM 1449 CA SER A 94 4.422 17.823 5.851 1.00 0.00 C ATOM 1450 C SER A 94 5.516 17.196 6.717 1.00 0.00 C ATOM 1451 O SER A 94 5.279 16.858 7.876 1.00 0.00 O ATOM 1452 CB SER A 94 4.165 19.267 6.285 1.00 0.00 C ATOM 1453 OG SER A 94 3.684 19.345 7.624 1.00 0.00 O ATOM 0 H SER A 94 3.047 16.586 6.837 1.00 0.00 H new ATOM 0 HA SER A 94 4.752 17.838 4.812 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.087 19.841 6.197 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.439 19.724 5.612 1.00 0.00 H new ATOM 0 HG SER A 94 3.534 20.283 7.864 1.00 0.00 H new ATOM 1459 N GLU A 95 6.692 17.059 6.121 1.00 0.00 N ATOM 1460 CA GLU A 95 7.824 16.478 6.824 1.00 0.00 C ATOM 1461 C GLU A 95 9.083 16.556 5.958 1.00 0.00 C ATOM 1462 O GLU A 95 9.243 15.779 5.018 1.00 0.00 O ATOM 1463 CB GLU A 95 7.531 15.034 7.236 1.00 0.00 C ATOM 1464 CG GLU A 95 8.162 14.712 8.592 1.00 0.00 C ATOM 1465 CD GLU A 95 7.089 14.540 9.670 1.00 0.00 C ATOM 1466 OE1 GLU A 95 6.513 13.432 9.724 1.00 0.00 O ATOM 1467 OE2 GLU A 95 6.870 15.519 10.414 1.00 0.00 O ATOM 0 H GLU A 95 6.885 17.340 5.160 1.00 0.00 H new ATOM 0 HA GLU A 95 7.996 17.053 7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.453 14.878 7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 95 7.917 14.351 6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.754 13.800 8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.845 15.512 8.878 1.00 0.00 H new ATOM 1474 N ALA A 96 9.944 17.501 6.306 1.00 0.00 N ATOM 1475 CA ALA A 96 11.184 17.690 5.572 1.00 0.00 C ATOM 1476 C ALA A 96 12.021 16.413 5.656 1.00 0.00 C ATOM 1477 O ALA A 96 12.304 15.784 4.638 1.00 0.00 O ATOM 1478 CB ALA A 96 11.923 18.910 6.126 1.00 0.00 C ATOM 0 H ALA A 96 9.808 18.144 7.086 1.00 0.00 H new ATOM 0 HA ALA A 96 10.982 17.882 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 96 12.853 19.053 5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 96 11.297 19.796 6.016 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.146 18.752 7.181 1.00 0.00 H new ATOM 1484 N ARG A 97 12.395 16.067 6.879 1.00 0.00 N ATOM 1485 CA ARG A 97 13.194 14.876 7.110 1.00 0.00 C ATOM 1486 C ARG A 97 14.295 14.764 6.053 1.00 0.00 C ATOM 1487 O ARG A 97 14.100 14.139 5.012 1.00 0.00 O ATOM 1488 CB ARG A 97 12.328 13.615 7.070 1.00 0.00 C ATOM 1489 CG ARG A 97 13.128 12.387 7.507 1.00 0.00 C ATOM 1490 CD ARG A 97 13.019 12.170 9.018 1.00 0.00 C ATOM 1491 NE ARG A 97 14.313 11.695 9.556 1.00 0.00 N ATOM 1492 CZ ARG A 97 14.618 11.663 10.860 1.00 0.00 C ATOM 1493 NH1 ARG A 97 13.724 12.078 11.768 1.00 0.00 N ATOM 1494 NH2 ARG A 97 15.817 11.215 11.257 1.00 0.00 N ATOM 0 H ARG A 97 12.159 16.592 7.721 1.00 0.00 H new ATOM 0 HA ARG A 97 13.642 14.963 8.100 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.464 13.742 7.723 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.945 13.464 6.061 1.00 0.00 H new ATOM 0 HG2 ARG A 97 12.762 11.505 6.982 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.174 12.512 7.229 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.732 13.101 9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 97 12.237 11.442 9.234 1.00 0.00 H new ATOM 0 HE ARG A 97 15.017 11.372 8.892 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.811 12.418 11.466 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.957 12.053 12.761 1.00 0.00 H new ATOM 0 HH21 ARG A 97 16.497 10.898 10.566 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.049 11.191 12.250 1.00 0.00 H new ATOM 1508 N SER A 98 15.429 15.378 6.359 1.00 0.00 N ATOM 1509 CA SER A 98 16.561 15.355 5.449 1.00 0.00 C ATOM 1510 C SER A 98 16.870 13.915 5.034 1.00 0.00 C ATOM 1511 O SER A 98 17.291 13.105 5.858 1.00 0.00 O ATOM 1512 CB SER A 98 17.794 16.000 6.087 1.00 0.00 C ATOM 1513 OG SER A 98 18.428 15.131 7.021 1.00 0.00 O ATOM 0 H SER A 98 15.588 15.894 7.224 1.00 0.00 H new ATOM 0 HA SER A 98 16.299 15.933 4.563 1.00 0.00 H new ATOM 0 HB2 SER A 98 18.504 16.274 5.307 1.00 0.00 H new ATOM 0 HB3 SER A 98 17.502 16.922 6.590 1.00 0.00 H new ATOM 0 HG SER A 98 17.969 14.265 7.026 1.00 0.00 H new ATOM 1519 N SER A 99 16.649 13.641 3.757 1.00 0.00 N ATOM 1520 CA SER A 99 16.898 12.313 3.223 1.00 0.00 C ATOM 1521 C SER A 99 16.981 12.370 1.696 1.00 0.00 C ATOM 1522 O SER A 99 15.994 12.675 1.029 1.00 0.00 O ATOM 1523 CB SER A 99 15.810 11.330 3.659 1.00 0.00 C ATOM 1524 OG SER A 99 16.349 10.063 4.026 1.00 0.00 O ATOM 0 H SER A 99 16.300 14.316 3.076 1.00 0.00 H new ATOM 0 HA SER A 99 17.849 11.958 3.620 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.261 11.748 4.503 1.00 0.00 H new ATOM 0 HB3 SER A 99 15.095 11.198 2.847 1.00 0.00 H new ATOM 0 HG SER A 99 15.622 9.465 4.300 1.00 0.00 H new ATOM 1530 N GLY A 100 18.167 12.070 1.188 1.00 0.00 N ATOM 1531 CA GLY A 100 18.392 12.083 -0.247 1.00 0.00 C ATOM 1532 C GLY A 100 17.677 10.912 -0.925 1.00 0.00 C ATOM 1533 O GLY A 100 17.976 9.752 -0.646 1.00 0.00 O ATOM 0 H GLY A 100 18.983 11.816 1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.035 13.024 -0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 100 19.461 12.028 -0.452 1.00 0.00 H new ATOM 1537 N PRO A 101 16.721 11.266 -1.825 1.00 0.00 N ATOM 1538 CA PRO A 101 15.962 10.258 -2.545 1.00 0.00 C ATOM 1539 C PRO A 101 16.809 9.614 -3.644 1.00 0.00 C ATOM 1540 O PRO A 101 17.890 10.104 -3.967 1.00 0.00 O ATOM 1541 CB PRO A 101 14.746 10.992 -3.085 1.00 0.00 C ATOM 1542 CG PRO A 101 15.101 12.470 -3.047 1.00 0.00 C ATOM 1543 CD PRO A 101 16.340 12.629 -2.181 1.00 0.00 C ATOM 0 HA PRO A 101 15.658 9.426 -1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 101 14.516 10.672 -4.101 1.00 0.00 H new ATOM 0 HB3 PRO A 101 13.864 10.786 -2.478 1.00 0.00 H new ATOM 0 HG2 PRO A 101 15.288 12.844 -4.054 1.00 0.00 H new ATOM 0 HG3 PRO A 101 14.274 13.051 -2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 101 17.139 13.135 -2.723 1.00 0.00 H new ATOM 0 HD3 PRO A 101 16.129 13.226 -1.294 1.00 0.00 H new ATOM 1551 N SER A 102 16.285 8.526 -4.190 1.00 0.00 N ATOM 1552 CA SER A 102 16.980 7.810 -5.246 1.00 0.00 C ATOM 1553 C SER A 102 16.033 7.565 -6.423 1.00 0.00 C ATOM 1554 O SER A 102 15.141 6.722 -6.341 1.00 0.00 O ATOM 1555 CB SER A 102 17.543 6.483 -4.734 1.00 0.00 C ATOM 1556 OG SER A 102 18.610 6.006 -5.549 1.00 0.00 O ATOM 0 H SER A 102 15.387 8.123 -3.921 1.00 0.00 H new ATOM 0 HA SER A 102 17.816 8.423 -5.581 1.00 0.00 H new ATOM 0 HB2 SER A 102 17.897 6.610 -3.711 1.00 0.00 H new ATOM 0 HB3 SER A 102 16.747 5.738 -4.706 1.00 0.00 H new ATOM 0 HG SER A 102 18.943 5.158 -5.188 1.00 0.00 H new ATOM 1562 N SER A 103 16.259 8.318 -7.489 1.00 0.00 N ATOM 1563 CA SER A 103 15.437 8.193 -8.681 1.00 0.00 C ATOM 1564 C SER A 103 15.948 7.043 -9.551 1.00 0.00 C ATOM 1565 O SER A 103 15.222 6.083 -9.805 1.00 0.00 O ATOM 1566 CB SER A 103 15.425 9.498 -9.480 1.00 0.00 C ATOM 1567 OG SER A 103 14.423 9.494 -10.493 1.00 0.00 O ATOM 0 H SER A 103 16.999 9.017 -7.553 1.00 0.00 H new ATOM 0 HA SER A 103 14.414 7.978 -8.371 1.00 0.00 H new ATOM 0 HB2 SER A 103 15.254 10.336 -8.804 1.00 0.00 H new ATOM 0 HB3 SER A 103 16.402 9.652 -9.937 1.00 0.00 H new ATOM 0 HG SER A 103 14.446 10.344 -10.979 1.00 0.00 H new ATOM 1573 N GLY A 104 17.193 7.178 -9.984 1.00 0.00 N ATOM 1574 CA GLY A 104 17.808 6.161 -10.820 1.00 0.00 C ATOM 1575 C GLY A 104 18.716 6.796 -11.875 1.00 0.00 C ATOM 1576 O GLY A 104 19.606 7.578 -11.545 1.00 0.00 O ATOM 0 H GLY A 104 17.792 7.976 -9.772 1.00 0.00 H new ATOM 0 HA2 GLY A 104 18.387 5.477 -10.200 1.00 0.00 H new ATOM 0 HA3 GLY A 104 17.034 5.570 -11.309 1.00 0.00 H new TER 1580 GLY A 104