USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0816 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN :FLIP amide:sc= -3.53! C(o=-4!,f=-3.5!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.07! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 19:sc= 0.803 USER MOD Single : A 34 CYS SG : rot -160:sc= 0.25 USER MOD Single : A 36 SER OG : rot 41:sc= 0.0192 USER MOD Single : A 41 GLN : amide:sc= -1.04 X(o=-1,f=-1.1) USER MOD Single : A 45 SER OG : rot 36:sc= 0.0881 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.103 F(o=-0.96,f=-0.1) USER MOD Single : A 56 GLN : amide:sc= -0.354 X(o=-0.35,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.344 K(o=-0.34,f=-4.7!) USER MOD Single : A 64 ASN : amide:sc= -4.4! C(o=-4.4!,f=-5.5!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= -0.073 (180deg=-0.391) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.0448 X(o=-0.045,f=0) USER MOD Single : A 82 SER OG : rot 72:sc= 1.21 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.321 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.190 2.382 36.565 1.00 0.00 N ATOM 2 CA GLY A 1 3.598 2.671 36.764 1.00 0.00 C ATOM 3 C GLY A 1 3.855 4.140 37.038 1.00 0.00 C ATOM 4 O GLY A 1 3.005 4.987 36.765 1.00 0.00 O ATOM 0 H1 GLY A 1 1.834 1.823 37.366 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.658 3.274 36.501 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.067 1.842 35.685 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.973 2.078 37.598 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.157 2.366 35.879 1.00 0.00 H new ATOM 8 N SER A 2 5.030 4.442 37.580 1.00 0.00 N ATOM 9 CA SER A 2 5.395 5.818 37.896 1.00 0.00 C ATOM 10 C SER A 2 6.782 6.150 37.355 1.00 0.00 C ATOM 11 O SER A 2 6.944 7.067 36.550 1.00 0.00 O ATOM 12 CB SER A 2 5.357 6.044 39.409 1.00 0.00 C ATOM 13 OG SER A 2 4.023 6.147 39.875 1.00 0.00 O ATOM 0 H SER A 2 5.746 3.752 37.810 1.00 0.00 H new ATOM 0 HA SER A 2 4.671 6.478 37.419 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.860 5.221 39.916 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.904 6.953 39.658 1.00 0.00 H new ATOM 0 HG SER A 2 4.025 6.289 40.845 1.00 0.00 H new ATOM 19 N SER A 3 7.781 5.398 37.805 1.00 0.00 N ATOM 20 CA SER A 3 9.157 5.614 37.371 1.00 0.00 C ATOM 21 C SER A 3 9.882 4.285 37.182 1.00 0.00 C ATOM 22 O SER A 3 9.668 3.335 37.935 1.00 0.00 O ATOM 23 CB SER A 3 9.906 6.476 38.389 1.00 0.00 C ATOM 24 OG SER A 3 11.271 6.613 38.034 1.00 0.00 O ATOM 0 H SER A 3 7.664 4.634 38.470 1.00 0.00 H new ATOM 0 HA SER A 3 9.132 6.134 36.413 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.442 7.460 38.448 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.828 6.026 39.379 1.00 0.00 H new ATOM 0 HG SER A 3 11.728 7.169 38.699 1.00 0.00 H new ATOM 30 N GLY A 4 10.741 4.225 36.170 1.00 0.00 N ATOM 31 CA GLY A 4 11.485 3.009 35.898 1.00 0.00 C ATOM 32 C GLY A 4 10.834 2.158 34.827 1.00 0.00 C ATOM 33 O GLY A 4 10.700 0.944 34.984 1.00 0.00 O ATOM 0 H GLY A 4 10.935 4.997 35.533 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.497 3.268 35.586 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.573 2.428 36.816 1.00 0.00 H new ATOM 37 N SER A 5 10.427 2.795 33.733 1.00 0.00 N ATOM 38 CA SER A 5 9.780 2.089 32.633 1.00 0.00 C ATOM 39 C SER A 5 10.698 1.010 32.067 1.00 0.00 C ATOM 40 O SER A 5 11.919 1.082 32.206 1.00 0.00 O ATOM 41 CB SER A 5 9.388 3.072 31.529 1.00 0.00 C ATOM 42 OG SER A 5 10.520 3.471 30.775 1.00 0.00 O ATOM 0 H SER A 5 10.534 3.799 33.585 1.00 0.00 H new ATOM 0 HA SER A 5 8.880 1.610 33.019 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.653 2.609 30.870 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.914 3.949 31.970 1.00 0.00 H new ATOM 0 HG SER A 5 10.242 4.098 30.075 1.00 0.00 H new ATOM 48 N SER A 6 10.100 0.009 31.427 1.00 0.00 N ATOM 49 CA SER A 6 10.862 -1.088 30.842 1.00 0.00 C ATOM 50 C SER A 6 10.561 -1.225 29.353 1.00 0.00 C ATOM 51 O SER A 6 9.499 -0.819 28.883 1.00 0.00 O ATOM 52 CB SER A 6 10.542 -2.399 31.561 1.00 0.00 C ATOM 53 OG SER A 6 11.650 -3.283 31.527 1.00 0.00 O ATOM 0 H SER A 6 9.090 -0.064 31.301 1.00 0.00 H new ATOM 0 HA SER A 6 11.922 -0.866 30.962 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.269 -2.193 32.596 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.680 -2.873 31.092 1.00 0.00 H new ATOM 0 HG SER A 6 11.421 -4.113 31.995 1.00 0.00 H new ATOM 59 N GLY A 7 11.506 -1.800 28.615 1.00 0.00 N ATOM 60 CA GLY A 7 11.324 -1.980 27.186 1.00 0.00 C ATOM 61 C GLY A 7 11.198 -3.440 26.798 1.00 0.00 C ATOM 62 O GLY A 7 11.117 -4.313 27.661 1.00 0.00 O ATOM 0 H GLY A 7 12.394 -2.144 28.981 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.431 -1.444 26.866 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.168 -1.538 26.657 1.00 0.00 H new ATOM 66 N GLU A 8 11.179 -3.705 25.495 1.00 0.00 N ATOM 67 CA GLU A 8 11.058 -5.070 24.996 1.00 0.00 C ATOM 68 C GLU A 8 12.309 -5.479 24.224 1.00 0.00 C ATOM 69 O GLU A 8 13.171 -4.651 23.932 1.00 0.00 O ATOM 70 CB GLU A 8 9.826 -5.201 24.098 1.00 0.00 C ATOM 71 CG GLU A 8 9.841 -4.264 22.902 1.00 0.00 C ATOM 72 CD GLU A 8 8.559 -4.325 22.096 1.00 0.00 C ATOM 73 OE1 GLU A 8 8.479 -5.162 21.172 1.00 0.00 O ATOM 74 OE2 GLU A 8 7.635 -3.538 22.389 1.00 0.00 O ATOM 0 H GLU A 8 11.246 -2.994 24.767 1.00 0.00 H new ATOM 0 HA GLU A 8 10.947 -5.735 25.853 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.754 -6.229 23.742 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.932 -5.005 24.691 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.000 -3.243 23.248 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.683 -4.517 22.258 1.00 0.00 H new ATOM 81 N GLY A 9 12.401 -6.764 23.896 1.00 0.00 N ATOM 82 CA GLY A 9 13.550 -7.262 23.161 1.00 0.00 C ATOM 83 C GLY A 9 13.433 -7.021 21.669 1.00 0.00 C ATOM 84 O GLY A 9 14.372 -6.540 21.036 1.00 0.00 O ATOM 0 H GLY A 9 11.701 -7.469 24.126 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.453 -6.779 23.534 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.660 -8.331 23.346 1.00 0.00 H new ATOM 88 N ASP A 10 12.278 -7.358 21.106 1.00 0.00 N ATOM 89 CA ASP A 10 12.041 -7.176 19.679 1.00 0.00 C ATOM 90 C ASP A 10 12.221 -5.715 19.280 1.00 0.00 C ATOM 91 O ASP A 10 11.491 -4.830 19.727 1.00 0.00 O ATOM 92 CB ASP A 10 10.635 -7.649 19.309 1.00 0.00 C ATOM 93 CG ASP A 10 10.286 -7.353 17.864 1.00 0.00 C ATOM 94 OD1 ASP A 10 11.116 -7.651 16.979 1.00 0.00 O ATOM 95 OD2 ASP A 10 9.182 -6.823 17.617 1.00 0.00 O ATOM 0 H ASP A 10 11.491 -7.759 21.616 1.00 0.00 H new ATOM 0 HA ASP A 10 12.772 -7.775 19.136 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.557 -8.722 19.486 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.909 -7.165 19.962 1.00 0.00 H new ATOM 100 N PRO A 11 13.217 -5.454 18.420 1.00 0.00 N ATOM 101 CA PRO A 11 13.516 -4.101 17.943 1.00 0.00 C ATOM 102 C PRO A 11 12.437 -3.563 17.009 1.00 0.00 C ATOM 103 O PRO A 11 11.392 -4.188 16.830 1.00 0.00 O ATOM 104 CB PRO A 11 14.838 -4.275 17.189 1.00 0.00 C ATOM 105 CG PRO A 11 14.847 -5.703 16.766 1.00 0.00 C ATOM 106 CD PRO A 11 14.127 -6.460 17.847 1.00 0.00 C ATOM 0 HA PRO A 11 13.567 -3.383 18.761 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.894 -3.607 16.329 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.691 -4.046 17.827 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.349 -5.828 15.804 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.867 -6.068 16.647 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.581 -7.313 17.445 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.819 -6.848 18.595 1.00 0.00 H new ATOM 114 N GLU A 12 12.699 -2.403 16.415 1.00 0.00 N ATOM 115 CA GLU A 12 11.748 -1.783 15.500 1.00 0.00 C ATOM 116 C GLU A 12 12.350 -1.641 14.105 1.00 0.00 C ATOM 117 O GLU A 12 13.159 -0.750 13.853 1.00 0.00 O ATOM 118 CB GLU A 12 11.322 -0.410 16.025 1.00 0.00 C ATOM 119 CG GLU A 12 10.314 0.297 15.134 1.00 0.00 C ATOM 120 CD GLU A 12 8.908 -0.244 15.302 1.00 0.00 C ATOM 121 OE1 GLU A 12 8.179 0.263 16.180 1.00 0.00 O ATOM 122 OE2 GLU A 12 8.536 -1.173 14.555 1.00 0.00 O ATOM 0 H GLU A 12 13.561 -1.874 16.551 1.00 0.00 H new ATOM 0 HA GLU A 12 10.871 -2.428 15.436 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.894 -0.528 17.021 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.206 0.220 16.130 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.319 1.363 15.361 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.618 0.191 14.093 1.00 0.00 H new ATOM 129 N ASN A 13 11.948 -2.529 13.201 1.00 0.00 N ATOM 130 CA ASN A 13 12.447 -2.505 11.831 1.00 0.00 C ATOM 131 C ASN A 13 11.582 -1.607 10.952 1.00 0.00 C ATOM 132 O ASN A 13 12.065 -0.632 10.377 1.00 0.00 O ATOM 133 CB ASN A 13 12.482 -3.922 11.254 1.00 0.00 C ATOM 134 CG ASN A 13 13.617 -4.751 11.824 1.00 0.00 C ATOM 135 OD1 ASN A 13 14.720 -4.771 11.278 1.00 0.00 O ATOM 136 ND2 ASN A 13 13.350 -5.440 12.927 1.00 0.00 N ATOM 0 H ASN A 13 11.278 -3.274 13.393 1.00 0.00 H new ATOM 0 HA ASN A 13 13.459 -2.101 11.847 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.534 -4.419 11.460 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.584 -3.868 10.170 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.074 -6.016 13.356 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.421 -5.393 13.345 1.00 0.00 H new ATOM 143 N GLY A 14 10.299 -1.943 10.853 1.00 0.00 N ATOM 144 CA GLY A 14 9.387 -1.157 10.044 1.00 0.00 C ATOM 145 C GLY A 14 8.155 -0.724 10.813 1.00 0.00 C ATOM 146 O GLY A 14 7.972 -1.105 11.969 1.00 0.00 O ATOM 0 H GLY A 14 9.876 -2.746 11.319 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.906 -0.275 9.670 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.083 -1.740 9.175 1.00 0.00 H new ATOM 150 N GLU A 15 7.308 0.075 10.171 1.00 0.00 N ATOM 151 CA GLU A 15 6.089 0.562 10.805 1.00 0.00 C ATOM 152 C GLU A 15 4.936 0.603 9.806 1.00 0.00 C ATOM 153 O GLU A 15 5.142 0.809 8.610 1.00 0.00 O ATOM 154 CB GLU A 15 6.315 1.955 11.396 1.00 0.00 C ATOM 155 CG GLU A 15 5.049 2.604 11.929 1.00 0.00 C ATOM 156 CD GLU A 15 4.679 2.110 13.314 1.00 0.00 C ATOM 157 OE1 GLU A 15 5.598 1.797 14.098 1.00 0.00 O ATOM 158 OE2 GLU A 15 3.468 2.036 13.613 1.00 0.00 O ATOM 0 H GLU A 15 7.444 0.398 9.213 1.00 0.00 H new ATOM 0 HA GLU A 15 5.828 -0.127 11.608 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.044 1.884 12.203 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.749 2.599 10.631 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.184 3.685 11.957 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.226 2.403 11.244 1.00 0.00 H new ATOM 165 N LYS A 16 3.721 0.405 10.306 1.00 0.00 N ATOM 166 CA LYS A 16 2.533 0.419 9.460 1.00 0.00 C ATOM 167 C LYS A 16 2.094 1.849 9.163 1.00 0.00 C ATOM 168 O LYS A 16 1.799 2.622 10.076 1.00 0.00 O ATOM 169 CB LYS A 16 1.392 -0.346 10.134 1.00 0.00 C ATOM 170 CG LYS A 16 1.635 -1.843 10.228 1.00 0.00 C ATOM 171 CD LYS A 16 0.624 -2.516 11.141 1.00 0.00 C ATOM 172 CE LYS A 16 -0.657 -2.860 10.396 1.00 0.00 C ATOM 173 NZ LYS A 16 -1.321 -4.066 10.963 1.00 0.00 N ATOM 0 H LYS A 16 3.533 0.233 11.294 1.00 0.00 H new ATOM 0 HA LYS A 16 2.783 -0.069 8.518 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.241 0.053 11.137 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.470 -0.170 9.579 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.579 -2.285 9.233 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.642 -2.026 10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.058 -3.424 11.559 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.394 -1.858 11.979 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.342 -2.013 10.441 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.430 -3.031 9.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.190 -4.268 10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.677 -4.880 10.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.560 -3.894 11.960 1.00 0.00 H new ATOM 187 N LEU A 17 2.051 2.196 7.881 1.00 0.00 N ATOM 188 CA LEU A 17 1.646 3.534 7.464 1.00 0.00 C ATOM 189 C LEU A 17 0.569 3.465 6.385 1.00 0.00 C ATOM 190 O LEU A 17 0.566 2.556 5.556 1.00 0.00 O ATOM 191 CB LEU A 17 2.854 4.315 6.945 1.00 0.00 C ATOM 192 CG LEU A 17 4.065 4.374 7.876 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.331 4.675 7.087 1.00 0.00 C ATOM 194 CD2 LEU A 17 3.852 5.418 8.963 1.00 0.00 C ATOM 0 H LEU A 17 2.292 1.570 7.113 1.00 0.00 H new ATOM 0 HA LEU A 17 1.233 4.049 8.331 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.169 3.873 6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.537 5.335 6.729 1.00 0.00 H new ATOM 0 HG LEU A 17 4.180 3.400 8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.183 4.713 7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.493 3.892 6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.226 5.636 6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.724 5.446 9.616 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.710 6.397 8.505 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.969 5.160 9.547 1.00 0.00 H new ATOM 206 N GLN A 18 -0.341 4.433 6.403 1.00 0.00 N ATOM 207 CA GLN A 18 -1.422 4.482 5.425 1.00 0.00 C ATOM 208 C GLN A 18 -1.164 5.565 4.383 1.00 0.00 C ATOM 209 O GLN A 18 -0.559 6.595 4.681 1.00 0.00 O ATOM 210 CB GLN A 18 -2.759 4.738 6.124 1.00 0.00 C ATOM 211 CG GLN A 18 -3.932 4.862 5.165 1.00 0.00 C ATOM 212 CD GLN A 18 -5.162 5.456 5.822 1.00 0.00 C ATOM 213 OE1 GLN A 18 -5.983 4.603 6.424 1.00 0.00 O flip ATOM 214 NE2 GLN A 18 -5.373 6.669 5.790 1.00 0.00 N flip ATOM 0 H GLN A 18 -0.352 5.193 7.083 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.464 3.518 4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.956 3.925 6.823 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.683 5.652 6.712 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.640 5.484 4.319 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.177 3.877 4.767 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.716 7.289 5.316 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.205 7.054 6.237 1.00 0.00 H new ATOM 223 N ILE A 19 -1.627 5.325 3.161 1.00 0.00 N ATOM 224 CA ILE A 19 -1.447 6.281 2.075 1.00 0.00 C ATOM 225 C ILE A 19 -2.737 6.463 1.283 1.00 0.00 C ATOM 226 O ILE A 19 -3.388 5.490 0.901 1.00 0.00 O ATOM 227 CB ILE A 19 -0.327 5.837 1.115 1.00 0.00 C ATOM 228 CG1 ILE A 19 0.977 5.618 1.884 1.00 0.00 C ATOM 229 CG2 ILE A 19 -0.132 6.871 0.015 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.622 6.901 2.358 1.00 0.00 C ATOM 0 H ILE A 19 -2.129 4.477 2.898 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.168 7.230 2.533 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.617 4.893 0.653 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.778 4.981 2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.680 5.082 1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.663 6.544 -0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.059 6.983 -0.548 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.140 7.828 0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.542 6.669 2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.853 7.531 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.937 7.429 3.022 1.00 0.00 H new ATOM 242 N THR A 20 -3.102 7.718 1.038 1.00 0.00 N ATOM 243 CA THR A 20 -4.314 8.029 0.291 1.00 0.00 C ATOM 244 C THR A 20 -3.987 8.456 -1.135 1.00 0.00 C ATOM 245 O THR A 20 -3.298 9.453 -1.352 1.00 0.00 O ATOM 246 CB THR A 20 -5.125 9.145 0.976 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.484 8.746 2.303 1.00 0.00 O ATOM 248 CG2 THR A 20 -6.381 9.468 0.180 1.00 0.00 C ATOM 0 H THR A 20 -2.575 8.535 1.346 1.00 0.00 H new ATOM 0 HA THR A 20 -4.912 7.118 0.266 1.00 0.00 H new ATOM 0 HB THR A 20 -4.504 10.039 1.022 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.998 9.462 2.732 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.937 10.259 0.683 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.103 9.800 -0.820 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.004 8.577 0.106 1.00 0.00 H new ATOM 256 N ILE A 21 -4.486 7.696 -2.105 1.00 0.00 N ATOM 257 CA ILE A 21 -4.247 7.998 -3.511 1.00 0.00 C ATOM 258 C ILE A 21 -5.462 8.670 -4.142 1.00 0.00 C ATOM 259 O ILE A 21 -6.604 8.326 -3.836 1.00 0.00 O ATOM 260 CB ILE A 21 -3.904 6.727 -4.309 1.00 0.00 C ATOM 261 CG1 ILE A 21 -2.748 5.977 -3.644 1.00 0.00 C ATOM 262 CG2 ILE A 21 -3.555 7.082 -5.747 1.00 0.00 C ATOM 263 CD1 ILE A 21 -2.532 4.586 -4.198 1.00 0.00 C ATOM 0 H ILE A 21 -5.058 6.867 -1.943 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.397 8.680 -3.548 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.778 6.075 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.832 6.555 -3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.939 5.907 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.315 6.173 -6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.405 7.577 -6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.694 7.751 -5.758 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.697 4.114 -3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.434 3.992 -4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.309 4.649 -5.263 1.00 0.00 H new ATOM 275 N ARG A 22 -5.208 9.628 -5.028 1.00 0.00 N ATOM 276 CA ARG A 22 -6.280 10.347 -5.704 1.00 0.00 C ATOM 277 C ARG A 22 -6.370 9.936 -7.171 1.00 0.00 C ATOM 278 O ARG A 22 -5.412 10.092 -7.929 1.00 0.00 O ATOM 279 CB ARG A 22 -6.056 11.857 -5.599 1.00 0.00 C ATOM 280 CG ARG A 22 -6.624 12.470 -4.329 1.00 0.00 C ATOM 281 CD ARG A 22 -6.738 13.982 -4.443 1.00 0.00 C ATOM 282 NE ARG A 22 -5.518 14.657 -4.009 1.00 0.00 N ATOM 283 CZ ARG A 22 -5.044 14.595 -2.770 1.00 0.00 C ATOM 284 NH1 ARG A 22 -5.685 13.891 -1.846 1.00 0.00 N ATOM 285 NH2 ARG A 22 -3.928 15.237 -2.451 1.00 0.00 N ATOM 0 H ARG A 22 -4.269 9.924 -5.294 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.220 10.091 -5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.986 12.061 -5.644 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.510 12.344 -6.462 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.607 12.044 -4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.985 12.215 -3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.954 14.252 -5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.578 14.329 -3.841 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.001 15.207 -4.696 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.544 13.396 -2.087 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.319 13.845 -0.895 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.432 15.780 -3.158 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.566 15.188 -1.499 1.00 0.00 H new ATOM 299 N ARG A 23 -7.526 9.411 -7.563 1.00 0.00 N ATOM 300 CA ARG A 23 -7.740 8.977 -8.939 1.00 0.00 C ATOM 301 C ARG A 23 -7.888 10.175 -9.871 1.00 0.00 C ATOM 302 O ARG A 23 -8.953 10.786 -9.949 1.00 0.00 O ATOM 303 CB ARG A 23 -8.984 8.091 -9.028 1.00 0.00 C ATOM 304 CG ARG A 23 -9.204 7.487 -10.406 1.00 0.00 C ATOM 305 CD ARG A 23 -10.262 6.396 -10.373 1.00 0.00 C ATOM 306 NE ARG A 23 -10.091 5.435 -11.460 1.00 0.00 N ATOM 307 CZ ARG A 23 -10.448 5.677 -12.717 1.00 0.00 C ATOM 308 NH1 ARG A 23 -10.991 6.841 -13.044 1.00 0.00 N ATOM 309 NH2 ARG A 23 -10.260 4.752 -13.650 1.00 0.00 N ATOM 0 H ARG A 23 -8.328 9.276 -6.948 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.869 8.402 -9.252 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.900 7.287 -8.297 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.860 8.680 -8.755 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.507 8.268 -11.103 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.266 7.075 -10.778 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.215 5.874 -9.417 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.251 6.848 -10.441 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.675 4.529 -11.242 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.136 7.555 -12.330 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.264 7.023 -14.010 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.842 3.855 -13.402 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.534 4.938 -14.615 1.00 0.00 H new ATOM 323 N GLY A 24 -6.810 10.507 -10.576 1.00 0.00 N ATOM 324 CA GLY A 24 -6.841 11.632 -11.492 1.00 0.00 C ATOM 325 C GLY A 24 -7.976 11.534 -12.493 1.00 0.00 C ATOM 326 O GLY A 24 -8.681 10.526 -12.547 1.00 0.00 O ATOM 0 H GLY A 24 -5.917 10.017 -10.529 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.941 12.557 -10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.893 11.687 -12.027 1.00 0.00 H new ATOM 330 N LYS A 25 -8.155 12.584 -13.286 1.00 0.00 N ATOM 331 CA LYS A 25 -9.212 12.614 -14.290 1.00 0.00 C ATOM 332 C LYS A 25 -9.440 11.226 -14.881 1.00 0.00 C ATOM 333 O LYS A 25 -10.578 10.823 -15.121 1.00 0.00 O ATOM 334 CB LYS A 25 -8.859 13.603 -15.403 1.00 0.00 C ATOM 335 CG LYS A 25 -7.534 13.306 -16.083 1.00 0.00 C ATOM 336 CD LYS A 25 -7.228 14.317 -17.175 1.00 0.00 C ATOM 337 CE LYS A 25 -6.464 15.513 -16.628 1.00 0.00 C ATOM 338 NZ LYS A 25 -6.085 16.469 -17.706 1.00 0.00 N ATOM 0 H LYS A 25 -7.581 13.427 -13.253 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.132 12.938 -13.804 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.652 13.593 -16.151 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.826 14.610 -14.986 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.734 13.316 -15.343 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.560 12.304 -16.511 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.644 13.839 -17.961 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.159 14.656 -17.630 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.076 16.026 -15.886 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.566 15.167 -16.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.566 17.270 -17.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.480 15.986 -18.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.943 16.819 -18.177 1.00 0.00 H new ATOM 352 N ASP A 26 -8.352 10.501 -15.113 1.00 0.00 N ATOM 353 CA ASP A 26 -8.433 9.157 -15.674 1.00 0.00 C ATOM 354 C ASP A 26 -7.231 8.318 -15.252 1.00 0.00 C ATOM 355 O ASP A 26 -6.109 8.554 -15.699 1.00 0.00 O ATOM 356 CB ASP A 26 -8.516 9.222 -17.200 1.00 0.00 C ATOM 357 CG ASP A 26 -8.958 7.908 -17.812 1.00 0.00 C ATOM 358 OD1 ASP A 26 -9.560 7.088 -17.088 1.00 0.00 O ATOM 359 OD2 ASP A 26 -8.702 7.700 -19.017 1.00 0.00 O ATOM 0 H ASP A 26 -7.403 10.821 -14.921 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.336 8.683 -15.289 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.214 10.007 -17.490 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.541 9.497 -17.603 1.00 0.00 H new ATOM 364 N GLY A 27 -7.473 7.338 -14.387 1.00 0.00 N ATOM 365 CA GLY A 27 -6.401 6.480 -13.918 1.00 0.00 C ATOM 366 C GLY A 27 -5.805 6.959 -12.610 1.00 0.00 C ATOM 367 O GLY A 27 -5.623 8.159 -12.405 1.00 0.00 O ATOM 0 H GLY A 27 -8.393 7.123 -14.003 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.781 5.466 -13.791 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.618 6.435 -14.675 1.00 0.00 H new ATOM 371 N PHE A 28 -5.502 6.020 -11.720 1.00 0.00 N ATOM 372 CA PHE A 28 -4.925 6.352 -10.423 1.00 0.00 C ATOM 373 C PHE A 28 -3.470 6.787 -10.570 1.00 0.00 C ATOM 374 O PHE A 28 -3.082 7.860 -10.111 1.00 0.00 O ATOM 375 CB PHE A 28 -5.018 5.153 -9.477 1.00 0.00 C ATOM 376 CG PHE A 28 -6.400 4.924 -8.934 1.00 0.00 C ATOM 377 CD1 PHE A 28 -7.319 4.164 -9.640 1.00 0.00 C ATOM 378 CD2 PHE A 28 -6.780 5.469 -7.718 1.00 0.00 C ATOM 379 CE1 PHE A 28 -8.591 3.951 -9.143 1.00 0.00 C ATOM 380 CE2 PHE A 28 -8.050 5.259 -7.216 1.00 0.00 C ATOM 381 CZ PHE A 28 -8.957 4.500 -7.930 1.00 0.00 C ATOM 0 H PHE A 28 -5.647 5.022 -11.874 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.493 7.182 -10.003 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.691 4.257 -10.005 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.329 5.302 -8.645 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.038 3.733 -10.590 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.076 6.065 -7.156 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.298 3.356 -9.703 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.333 5.688 -6.266 1.00 0.00 H new ATOM 0 HZ PHE A 28 -9.951 4.336 -7.540 1.00 0.00 H new ATOM 391 N GLY A 29 -2.668 5.943 -11.213 1.00 0.00 N ATOM 392 CA GLY A 29 -1.265 6.256 -11.409 1.00 0.00 C ATOM 393 C GLY A 29 -0.352 5.134 -10.956 1.00 0.00 C ATOM 394 O GLY A 29 0.667 4.859 -11.590 1.00 0.00 O ATOM 0 H GLY A 29 -2.966 5.048 -11.602 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.086 6.462 -12.464 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.019 7.165 -10.860 1.00 0.00 H new ATOM 398 N PHE A 30 -0.716 4.484 -9.856 1.00 0.00 N ATOM 399 CA PHE A 30 0.079 3.387 -9.317 1.00 0.00 C ATOM 400 C PHE A 30 -0.385 2.049 -9.885 1.00 0.00 C ATOM 401 O PHE A 30 -1.582 1.812 -10.049 1.00 0.00 O ATOM 402 CB PHE A 30 -0.012 3.365 -7.790 1.00 0.00 C ATOM 403 CG PHE A 30 -1.357 2.937 -7.276 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.420 3.826 -7.256 1.00 0.00 C ATOM 405 CD2 PHE A 30 -1.558 1.647 -6.812 1.00 0.00 C ATOM 406 CE1 PHE A 30 -3.658 3.435 -6.783 1.00 0.00 C ATOM 407 CE2 PHE A 30 -2.794 1.251 -6.338 1.00 0.00 C ATOM 408 CZ PHE A 30 -3.846 2.145 -6.324 1.00 0.00 C ATOM 0 H PHE A 30 -1.557 4.698 -9.320 1.00 0.00 H new ATOM 0 HA PHE A 30 1.117 3.546 -9.610 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.749 2.690 -7.398 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.215 4.359 -7.406 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.279 4.835 -7.614 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.739 0.943 -6.821 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.478 4.137 -6.772 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.937 0.243 -5.979 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.813 1.837 -5.955 1.00 0.00 H new ATOM 418 N THR A 31 0.572 1.176 -10.184 1.00 0.00 N ATOM 419 CA THR A 31 0.263 -0.138 -10.735 1.00 0.00 C ATOM 420 C THR A 31 0.607 -1.244 -9.744 1.00 0.00 C ATOM 421 O THR A 31 1.677 -1.234 -9.136 1.00 0.00 O ATOM 422 CB THR A 31 1.023 -0.388 -12.051 1.00 0.00 C ATOM 423 OG1 THR A 31 1.051 0.810 -12.836 1.00 0.00 O ATOM 424 CG2 THR A 31 0.371 -1.507 -12.848 1.00 0.00 C ATOM 0 H THR A 31 1.568 1.355 -10.054 1.00 0.00 H new ATOM 0 HA THR A 31 -0.808 -0.153 -10.935 1.00 0.00 H new ATOM 0 HB THR A 31 2.043 -0.685 -11.805 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.537 0.643 -13.670 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.925 -1.665 -13.773 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.378 -2.424 -12.259 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.658 -1.234 -13.083 1.00 0.00 H new ATOM 432 N ILE A 32 -0.306 -2.197 -9.588 1.00 0.00 N ATOM 433 CA ILE A 32 -0.097 -3.312 -8.673 1.00 0.00 C ATOM 434 C ILE A 32 -0.729 -4.591 -9.211 1.00 0.00 C ATOM 435 O ILE A 32 -1.921 -4.624 -9.518 1.00 0.00 O ATOM 436 CB ILE A 32 -0.678 -3.012 -7.279 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.109 -2.483 -7.402 1.00 0.00 C ATOM 438 CG2 ILE A 32 0.200 -2.012 -6.542 1.00 0.00 C ATOM 439 CD1 ILE A 32 -2.979 -2.811 -6.209 1.00 0.00 C ATOM 0 H ILE A 32 -1.197 -2.219 -10.083 1.00 0.00 H new ATOM 0 HA ILE A 32 0.981 -3.451 -8.586 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.700 -3.938 -6.705 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.078 -1.401 -7.532 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.566 -2.899 -8.300 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.225 -1.811 -5.558 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.203 -2.424 -6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.252 -1.084 -7.112 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.979 -2.405 -6.365 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.041 -3.893 -6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.545 -2.371 -5.311 1.00 0.00 H new ATOM 451 N CYS A 33 0.076 -5.642 -9.319 1.00 0.00 N ATOM 452 CA CYS A 33 -0.405 -6.925 -9.819 1.00 0.00 C ATOM 453 C CYS A 33 0.347 -8.080 -9.165 1.00 0.00 C ATOM 454 O CYS A 33 1.574 -8.157 -9.241 1.00 0.00 O ATOM 455 CB CYS A 33 -0.248 -6.995 -11.339 1.00 0.00 C ATOM 456 SG CYS A 33 1.461 -7.187 -11.897 1.00 0.00 S ATOM 0 H CYS A 33 1.064 -5.631 -9.067 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.461 -7.013 -9.565 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.838 -7.830 -11.716 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.663 -6.088 -11.778 1.00 0.00 H new ATOM 0 HG CYS A 33 2.190 -7.630 -10.916 1.00 0.00 H new ATOM 462 N CYS A 34 -0.396 -8.973 -8.521 1.00 0.00 N ATOM 463 CA CYS A 34 0.201 -10.123 -7.851 1.00 0.00 C ATOM 464 C CYS A 34 -0.876 -11.038 -7.279 1.00 0.00 C ATOM 465 O CYS A 34 -2.070 -10.796 -7.458 1.00 0.00 O ATOM 466 CB CYS A 34 1.138 -9.659 -6.735 1.00 0.00 C ATOM 467 SG CYS A 34 2.536 -10.767 -6.436 1.00 0.00 S ATOM 0 H CYS A 34 -1.412 -8.923 -8.449 1.00 0.00 H new ATOM 0 HA CYS A 34 0.775 -10.684 -8.588 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.520 -8.669 -6.984 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.565 -9.557 -5.813 1.00 0.00 H new ATOM 0 HG CYS A 34 3.019 -10.545 -5.250 1.00 0.00 H new ATOM 473 N ASP A 35 -0.447 -12.090 -6.591 1.00 0.00 N ATOM 474 CA ASP A 35 -1.375 -13.043 -5.992 1.00 0.00 C ATOM 475 C ASP A 35 -1.241 -13.051 -4.473 1.00 0.00 C ATOM 476 O ASP A 35 -0.133 -13.064 -3.938 1.00 0.00 O ATOM 477 CB ASP A 35 -1.126 -14.447 -6.546 1.00 0.00 C ATOM 478 CG ASP A 35 0.339 -14.700 -6.844 1.00 0.00 C ATOM 479 OD1 ASP A 35 1.107 -14.933 -5.887 1.00 0.00 O ATOM 480 OD2 ASP A 35 0.717 -14.667 -8.033 1.00 0.00 O ATOM 0 H ASP A 35 0.538 -12.305 -6.434 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.389 -12.735 -6.247 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.481 -15.186 -5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.708 -14.583 -7.457 1.00 0.00 H new ATOM 485 N SER A 36 -2.378 -13.043 -3.784 1.00 0.00 N ATOM 486 CA SER A 36 -2.388 -13.045 -2.325 1.00 0.00 C ATOM 487 C SER A 36 -1.185 -13.806 -1.775 1.00 0.00 C ATOM 488 O SER A 36 -0.989 -14.990 -2.050 1.00 0.00 O ATOM 489 CB SER A 36 -3.683 -13.669 -1.804 1.00 0.00 C ATOM 490 OG SER A 36 -4.006 -14.847 -2.521 1.00 0.00 O ATOM 0 H SER A 36 -3.304 -13.035 -4.212 1.00 0.00 H new ATOM 0 HA SER A 36 -2.329 -12.011 -1.984 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.577 -13.902 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.498 -12.951 -1.893 1.00 0.00 H new ATOM 0 HG SER A 36 -3.190 -15.366 -2.682 1.00 0.00 H new ATOM 496 N PRO A 37 -0.361 -13.111 -0.978 1.00 0.00 N ATOM 497 CA PRO A 37 -0.584 -11.701 -0.643 1.00 0.00 C ATOM 498 C PRO A 37 -0.364 -10.780 -1.838 1.00 0.00 C ATOM 499 O PRO A 37 0.437 -11.077 -2.724 1.00 0.00 O ATOM 500 CB PRO A 37 0.457 -11.425 0.444 1.00 0.00 C ATOM 501 CG PRO A 37 1.537 -12.420 0.196 1.00 0.00 C ATOM 502 CD PRO A 37 0.854 -13.647 -0.341 1.00 0.00 C ATOM 0 HA PRO A 37 -1.610 -11.515 -0.326 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.836 -10.405 0.379 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.030 -11.544 1.440 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.266 -12.035 -0.517 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.079 -12.645 1.115 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.483 -14.176 -1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.613 -14.353 0.454 1.00 0.00 H new ATOM 510 N VAL A 38 -1.080 -9.660 -1.856 1.00 0.00 N ATOM 511 CA VAL A 38 -0.961 -8.694 -2.942 1.00 0.00 C ATOM 512 C VAL A 38 0.256 -7.796 -2.748 1.00 0.00 C ATOM 513 O VAL A 38 0.522 -7.324 -1.643 1.00 0.00 O ATOM 514 CB VAL A 38 -2.221 -7.815 -3.052 1.00 0.00 C ATOM 515 CG1 VAL A 38 -2.038 -6.751 -4.123 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.444 -8.672 -3.343 1.00 0.00 C ATOM 0 H VAL A 38 -1.748 -9.399 -1.131 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.844 -9.266 -3.863 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.377 -7.312 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.938 -6.140 -4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.188 -6.119 -3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.857 -7.230 -5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.325 -8.035 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.300 -9.204 -4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.584 -9.392 -2.537 1.00 0.00 H new ATOM 526 N ARG A 39 0.992 -7.565 -3.831 1.00 0.00 N ATOM 527 CA ARG A 39 2.182 -6.724 -3.780 1.00 0.00 C ATOM 528 C ARG A 39 2.081 -5.579 -4.784 1.00 0.00 C ATOM 529 O ARG A 39 1.108 -5.477 -5.530 1.00 0.00 O ATOM 530 CB ARG A 39 3.433 -7.557 -4.063 1.00 0.00 C ATOM 531 CG ARG A 39 4.000 -8.243 -2.831 1.00 0.00 C ATOM 532 CD ARG A 39 5.487 -8.520 -2.982 1.00 0.00 C ATOM 533 NE ARG A 39 5.960 -9.512 -2.021 1.00 0.00 N ATOM 534 CZ ARG A 39 7.061 -10.235 -2.191 1.00 0.00 C ATOM 535 NH1 ARG A 39 7.800 -10.076 -3.281 1.00 0.00 N ATOM 536 NH2 ARG A 39 7.426 -11.118 -1.271 1.00 0.00 N ATOM 0 H ARG A 39 0.785 -7.948 -4.753 1.00 0.00 H new ATOM 0 HA ARG A 39 2.255 -6.300 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.194 -8.313 -4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.199 -6.912 -4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.833 -7.616 -1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.470 -9.180 -2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.689 -8.871 -3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.044 -7.592 -2.849 1.00 0.00 H new ATOM 0 HE ARG A 39 5.414 -9.658 -1.172 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.523 -9.397 -3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.645 -10.632 -3.410 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.861 -11.243 -0.431 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.272 -11.672 -1.403 1.00 0.00 H new ATOM 550 N VAL A 40 3.095 -4.719 -4.796 1.00 0.00 N ATOM 551 CA VAL A 40 3.122 -3.582 -5.708 1.00 0.00 C ATOM 552 C VAL A 40 3.984 -3.877 -6.930 1.00 0.00 C ATOM 553 O VAL A 40 4.977 -4.598 -6.840 1.00 0.00 O ATOM 554 CB VAL A 40 3.655 -2.316 -5.011 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.821 -1.184 -6.013 1.00 0.00 C ATOM 556 CG2 VAL A 40 2.731 -1.903 -3.876 1.00 0.00 C ATOM 0 H VAL A 40 3.908 -4.788 -4.184 1.00 0.00 H new ATOM 0 HA VAL A 40 2.094 -3.408 -6.026 1.00 0.00 H new ATOM 0 HB VAL A 40 4.634 -2.541 -4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.198 -0.298 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.527 -1.484 -6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.857 -0.957 -6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.123 -1.007 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.737 -1.696 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.669 -2.709 -3.145 1.00 0.00 H new ATOM 566 N GLN A 41 3.596 -3.315 -8.070 1.00 0.00 N ATOM 567 CA GLN A 41 4.334 -3.519 -9.311 1.00 0.00 C ATOM 568 C GLN A 41 5.298 -2.365 -9.568 1.00 0.00 C ATOM 569 O GLN A 41 6.515 -2.535 -9.504 1.00 0.00 O ATOM 570 CB GLN A 41 3.367 -3.662 -10.487 1.00 0.00 C ATOM 571 CG GLN A 41 4.012 -4.230 -11.741 1.00 0.00 C ATOM 572 CD GLN A 41 4.803 -3.192 -12.512 1.00 0.00 C ATOM 573 OE1 GLN A 41 4.233 -2.276 -13.106 1.00 0.00 O ATOM 574 NE2 GLN A 41 6.123 -3.329 -12.507 1.00 0.00 N ATOM 0 H GLN A 41 2.776 -2.715 -8.160 1.00 0.00 H new ATOM 0 HA GLN A 41 4.913 -4.437 -9.212 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.540 -4.307 -10.190 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.942 -2.685 -10.718 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.672 -5.053 -11.465 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.238 -4.645 -12.387 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.553 -4.103 -12.001 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.707 -2.660 -13.009 1.00 0.00 H new ATOM 583 N ALA A 42 4.745 -1.192 -9.858 1.00 0.00 N ATOM 584 CA ALA A 42 5.555 -0.010 -10.122 1.00 0.00 C ATOM 585 C ALA A 42 4.759 1.267 -9.876 1.00 0.00 C ATOM 586 O ALA A 42 3.561 1.328 -10.154 1.00 0.00 O ATOM 587 CB ALA A 42 6.081 -0.039 -11.550 1.00 0.00 C ATOM 0 H ALA A 42 3.739 -1.035 -9.916 1.00 0.00 H new ATOM 0 HA ALA A 42 6.401 -0.018 -9.434 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.684 0.850 -11.734 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.693 -0.929 -11.694 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.243 -0.058 -12.246 1.00 0.00 H new ATOM 593 N VAL A 43 5.433 2.287 -9.352 1.00 0.00 N ATOM 594 CA VAL A 43 4.788 3.564 -9.069 1.00 0.00 C ATOM 595 C VAL A 43 5.101 4.590 -10.152 1.00 0.00 C ATOM 596 O VAL A 43 6.252 4.746 -10.559 1.00 0.00 O ATOM 597 CB VAL A 43 5.229 4.124 -7.704 1.00 0.00 C ATOM 598 CG1 VAL A 43 4.574 5.472 -7.443 1.00 0.00 C ATOM 599 CG2 VAL A 43 4.901 3.138 -6.592 1.00 0.00 C ATOM 0 H VAL A 43 6.425 2.253 -9.115 1.00 0.00 H new ATOM 0 HA VAL A 43 3.714 3.379 -9.048 1.00 0.00 H new ATOM 0 HB VAL A 43 6.309 4.269 -7.722 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.897 5.852 -6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.864 6.175 -8.224 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.490 5.356 -7.444 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.220 3.550 -5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.826 2.959 -6.570 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.422 2.198 -6.774 1.00 0.00 H new ATOM 609 N ASP A 44 4.069 5.286 -10.615 1.00 0.00 N ATOM 610 CA ASP A 44 4.233 6.300 -11.650 1.00 0.00 C ATOM 611 C ASP A 44 4.712 7.618 -11.050 1.00 0.00 C ATOM 612 O ASP A 44 3.944 8.333 -10.405 1.00 0.00 O ATOM 613 CB ASP A 44 2.916 6.514 -12.398 1.00 0.00 C ATOM 614 CG ASP A 44 1.915 7.315 -11.589 1.00 0.00 C ATOM 615 OD1 ASP A 44 1.582 6.886 -10.465 1.00 0.00 O ATOM 616 OD2 ASP A 44 1.463 8.370 -12.081 1.00 0.00 O ATOM 0 H ASP A 44 3.110 5.167 -10.290 1.00 0.00 H new ATOM 0 HA ASP A 44 4.988 5.947 -12.353 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.115 7.029 -13.338 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.483 5.546 -12.650 1.00 0.00 H new ATOM 621 N SER A 45 5.985 7.933 -11.266 1.00 0.00 N ATOM 622 CA SER A 45 6.567 9.163 -10.742 1.00 0.00 C ATOM 623 C SER A 45 5.744 10.376 -11.163 1.00 0.00 C ATOM 624 O SER A 45 5.409 10.537 -12.336 1.00 0.00 O ATOM 625 CB SER A 45 8.009 9.317 -11.228 1.00 0.00 C ATOM 626 OG SER A 45 8.078 9.269 -12.643 1.00 0.00 O ATOM 0 H SER A 45 6.633 7.354 -11.800 1.00 0.00 H new ATOM 0 HA SER A 45 6.562 9.103 -9.654 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.417 10.263 -10.873 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.626 8.525 -10.804 1.00 0.00 H new ATOM 0 HG SER A 45 7.289 9.708 -13.024 1.00 0.00 H new ATOM 632 N GLY A 46 5.420 11.229 -10.195 1.00 0.00 N ATOM 633 CA GLY A 46 4.639 12.417 -10.485 1.00 0.00 C ATOM 634 C GLY A 46 3.158 12.211 -10.238 1.00 0.00 C ATOM 635 O GLY A 46 2.429 13.163 -9.962 1.00 0.00 O ATOM 0 H GLY A 46 5.684 11.118 -9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.996 13.242 -9.869 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.794 12.705 -11.525 1.00 0.00 H new ATOM 639 N GLY A 47 2.710 10.963 -10.339 1.00 0.00 N ATOM 640 CA GLY A 47 1.308 10.658 -10.124 1.00 0.00 C ATOM 641 C GLY A 47 0.840 11.033 -8.731 1.00 0.00 C ATOM 642 O GLY A 47 1.614 11.509 -7.901 1.00 0.00 O ATOM 0 H GLY A 47 3.294 10.158 -10.566 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.706 11.189 -10.861 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.142 9.593 -10.285 1.00 0.00 H new ATOM 646 N PRO A 48 -0.456 10.819 -8.461 1.00 0.00 N ATOM 647 CA PRO A 48 -1.055 11.132 -7.160 1.00 0.00 C ATOM 648 C PRO A 48 -0.570 10.197 -6.058 1.00 0.00 C ATOM 649 O PRO A 48 -0.477 10.588 -4.895 1.00 0.00 O ATOM 650 CB PRO A 48 -2.554 10.939 -7.404 1.00 0.00 C ATOM 651 CG PRO A 48 -2.632 9.973 -8.536 1.00 0.00 C ATOM 652 CD PRO A 48 -1.436 10.255 -9.403 1.00 0.00 C ATOM 0 HA PRO A 48 -0.790 12.133 -6.820 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.053 10.550 -6.516 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.039 11.882 -7.654 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.618 8.945 -8.174 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.559 10.101 -9.095 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.061 9.348 -9.877 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.675 10.957 -10.202 1.00 0.00 H new ATOM 660 N ALA A 49 -0.261 8.960 -6.432 1.00 0.00 N ATOM 661 CA ALA A 49 0.218 7.969 -5.475 1.00 0.00 C ATOM 662 C ALA A 49 1.588 8.353 -4.927 1.00 0.00 C ATOM 663 O ALA A 49 1.772 8.468 -3.716 1.00 0.00 O ATOM 664 CB ALA A 49 0.272 6.593 -6.122 1.00 0.00 C ATOM 0 H ALA A 49 -0.334 8.620 -7.391 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.482 7.938 -4.640 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.631 5.863 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.725 6.310 -6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.949 6.619 -6.976 1.00 0.00 H new ATOM 670 N GLU A 50 2.546 8.549 -5.827 1.00 0.00 N ATOM 671 CA GLU A 50 3.901 8.919 -5.432 1.00 0.00 C ATOM 672 C GLU A 50 3.891 10.174 -4.565 1.00 0.00 C ATOM 673 O GLU A 50 4.427 10.180 -3.456 1.00 0.00 O ATOM 674 CB GLU A 50 4.773 9.146 -6.668 1.00 0.00 C ATOM 675 CG GLU A 50 6.249 8.876 -6.430 1.00 0.00 C ATOM 676 CD GLU A 50 7.146 9.704 -7.329 1.00 0.00 C ATOM 677 OE1 GLU A 50 6.837 10.895 -7.541 1.00 0.00 O ATOM 678 OE2 GLU A 50 8.158 9.161 -7.820 1.00 0.00 O ATOM 0 H GLU A 50 2.410 8.458 -6.834 1.00 0.00 H new ATOM 0 HA GLU A 50 4.318 8.099 -4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.420 8.503 -7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.650 10.175 -7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.490 9.088 -5.388 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.452 7.818 -6.595 1.00 0.00 H new ATOM 685 N ARG A 51 3.279 11.236 -5.078 1.00 0.00 N ATOM 686 CA ARG A 51 3.200 12.498 -4.353 1.00 0.00 C ATOM 687 C ARG A 51 2.784 12.267 -2.903 1.00 0.00 C ATOM 688 O ARG A 51 3.423 12.765 -1.977 1.00 0.00 O ATOM 689 CB ARG A 51 2.209 13.443 -5.035 1.00 0.00 C ATOM 690 CG ARG A 51 2.756 14.092 -6.296 1.00 0.00 C ATOM 691 CD ARG A 51 2.039 15.397 -6.606 1.00 0.00 C ATOM 692 NE ARG A 51 2.436 16.469 -5.698 1.00 0.00 N ATOM 693 CZ ARG A 51 1.726 17.577 -5.514 1.00 0.00 C ATOM 694 NH1 ARG A 51 0.590 17.757 -6.173 1.00 0.00 N ATOM 695 NH2 ARG A 51 2.153 18.507 -4.670 1.00 0.00 N ATOM 0 H ARG A 51 2.830 11.247 -5.994 1.00 0.00 H new ATOM 0 HA ARG A 51 4.190 12.954 -4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.304 12.889 -5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.920 14.223 -4.331 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.823 14.281 -6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.646 13.407 -7.136 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.254 15.694 -7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.962 15.244 -6.537 1.00 0.00 H new ATOM 0 HE ARG A 51 3.306 16.362 -5.176 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.259 17.044 -6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.047 18.608 -6.030 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.027 18.372 -4.162 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.607 19.357 -4.529 1.00 0.00 H new ATOM 709 N ALA A 52 1.708 11.509 -2.716 1.00 0.00 N ATOM 710 CA ALA A 52 1.207 11.211 -1.380 1.00 0.00 C ATOM 711 C ALA A 52 2.291 10.574 -0.517 1.00 0.00 C ATOM 712 O ALA A 52 2.462 10.934 0.647 1.00 0.00 O ATOM 713 CB ALA A 52 -0.008 10.299 -1.463 1.00 0.00 C ATOM 0 H ALA A 52 1.167 11.090 -3.473 1.00 0.00 H new ATOM 0 HA ALA A 52 0.911 12.150 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.371 10.085 -0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.794 10.791 -2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.270 9.367 -1.955 1.00 0.00 H new ATOM 719 N GLY A 53 3.021 9.625 -1.096 1.00 0.00 N ATOM 720 CA GLY A 53 4.078 8.953 -0.364 1.00 0.00 C ATOM 721 C GLY A 53 4.029 7.446 -0.527 1.00 0.00 C ATOM 722 O GLY A 53 4.275 6.703 0.424 1.00 0.00 O ATOM 0 H GLY A 53 2.899 9.310 -2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.045 9.321 -0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.999 9.204 0.694 1.00 0.00 H new ATOM 726 N LEU A 54 3.708 6.994 -1.734 1.00 0.00 N ATOM 727 CA LEU A 54 3.625 5.566 -2.019 1.00 0.00 C ATOM 728 C LEU A 54 4.973 5.024 -2.485 1.00 0.00 C ATOM 729 O LEU A 54 5.643 5.636 -3.316 1.00 0.00 O ATOM 730 CB LEU A 54 2.559 5.298 -3.083 1.00 0.00 C ATOM 731 CG LEU A 54 1.983 3.882 -3.115 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.844 3.792 -4.119 1.00 0.00 C ATOM 733 CD2 LEU A 54 3.071 2.872 -3.449 1.00 0.00 C ATOM 0 H LEU A 54 3.501 7.596 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 54 3.347 5.053 -1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.738 5.999 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.988 5.516 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 54 1.588 3.648 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.446 2.777 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.054 4.489 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.214 4.046 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.644 1.869 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.495 3.104 -4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.855 2.918 -2.693 1.00 0.00 H new ATOM 745 N GLN A 55 5.361 3.873 -1.946 1.00 0.00 N ATOM 746 CA GLN A 55 6.628 3.249 -2.309 1.00 0.00 C ATOM 747 C GLN A 55 6.396 1.926 -3.033 1.00 0.00 C ATOM 748 O GLN A 55 5.510 1.155 -2.666 1.00 0.00 O ATOM 749 CB GLN A 55 7.483 3.018 -1.062 1.00 0.00 C ATOM 750 CG GLN A 55 8.957 2.807 -1.366 1.00 0.00 C ATOM 751 CD GLN A 55 9.667 2.013 -0.287 1.00 0.00 C ATOM 752 OE1 GLN A 55 9.612 2.506 0.945 1.00 0.00 O flip ATOM 753 NE2 GLN A 55 10.260 0.969 -0.558 1.00 0.00 N flip ATOM 0 H GLN A 55 4.817 3.354 -1.257 1.00 0.00 H new ATOM 0 HA GLN A 55 7.156 3.924 -2.983 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.377 3.874 -0.395 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.103 2.148 -0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.057 2.288 -2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.443 3.776 -1.478 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.277 0.627 -1.519 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.735 0.446 0.178 1.00 0.00 H new ATOM 762 N GLN A 56 7.197 1.672 -4.062 1.00 0.00 N ATOM 763 CA GLN A 56 7.077 0.443 -4.838 1.00 0.00 C ATOM 764 C GLN A 56 7.657 -0.742 -4.072 1.00 0.00 C ATOM 765 O GLN A 56 8.418 -0.567 -3.120 1.00 0.00 O ATOM 766 CB GLN A 56 7.788 0.593 -6.184 1.00 0.00 C ATOM 767 CG GLN A 56 9.297 0.729 -6.063 1.00 0.00 C ATOM 768 CD GLN A 56 10.000 0.649 -7.404 1.00 0.00 C ATOM 769 OE1 GLN A 56 10.435 1.663 -7.951 1.00 0.00 O ATOM 770 NE2 GLN A 56 10.115 -0.560 -7.942 1.00 0.00 N ATOM 0 H GLN A 56 7.936 2.300 -4.378 1.00 0.00 H new ATOM 0 HA GLN A 56 6.018 0.256 -5.014 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.558 -0.273 -6.805 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.393 1.469 -6.699 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.535 1.681 -5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.678 -0.057 -5.410 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.740 -1.373 -7.454 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.579 -0.675 -8.843 1.00 0.00 H new ATOM 779 N LEU A 57 7.291 -1.948 -4.493 1.00 0.00 N ATOM 780 CA LEU A 57 7.775 -3.163 -3.847 1.00 0.00 C ATOM 781 C LEU A 57 7.227 -3.280 -2.428 1.00 0.00 C ATOM 782 O LEU A 57 7.876 -3.844 -1.547 1.00 0.00 O ATOM 783 CB LEU A 57 9.304 -3.175 -3.819 1.00 0.00 C ATOM 784 CG LEU A 57 10.002 -2.940 -5.159 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.475 -2.627 -4.945 1.00 0.00 C ATOM 786 CD2 LEU A 57 9.838 -4.151 -6.066 1.00 0.00 C ATOM 0 H LEU A 57 6.661 -2.110 -5.279 1.00 0.00 H new ATOM 0 HA LEU A 57 7.422 -4.018 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.641 -2.411 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.633 -4.137 -3.425 1.00 0.00 H new ATOM 0 HG LEU A 57 9.536 -2.083 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.956 -2.463 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.571 -1.730 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.955 -3.464 -4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.341 -3.966 -7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.277 -5.026 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.778 -4.330 -6.246 1.00 0.00 H new ATOM 798 N ASP A 58 6.030 -2.746 -2.216 1.00 0.00 N ATOM 799 CA ASP A 58 5.393 -2.793 -0.905 1.00 0.00 C ATOM 800 C ASP A 58 4.323 -3.879 -0.859 1.00 0.00 C ATOM 801 O ASP A 58 3.712 -4.207 -1.877 1.00 0.00 O ATOM 802 CB ASP A 58 4.775 -1.436 -0.565 1.00 0.00 C ATOM 803 CG ASP A 58 5.817 -0.407 -0.172 1.00 0.00 C ATOM 804 OD1 ASP A 58 6.919 -0.423 -0.761 1.00 0.00 O ATOM 805 OD2 ASP A 58 5.531 0.414 0.724 1.00 0.00 O ATOM 0 H ASP A 58 5.481 -2.275 -2.935 1.00 0.00 H new ATOM 0 HA ASP A 58 6.158 -3.030 -0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.214 -1.070 -1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.064 -1.558 0.252 1.00 0.00 H new ATOM 810 N THR A 59 4.101 -4.435 0.328 1.00 0.00 N ATOM 811 CA THR A 59 3.106 -5.486 0.506 1.00 0.00 C ATOM 812 C THR A 59 1.817 -4.928 1.098 1.00 0.00 C ATOM 813 O THR A 59 1.829 -4.303 2.159 1.00 0.00 O ATOM 814 CB THR A 59 3.633 -6.609 1.418 1.00 0.00 C ATOM 815 OG1 THR A 59 4.775 -7.232 0.820 1.00 0.00 O ATOM 816 CG2 THR A 59 2.555 -7.652 1.671 1.00 0.00 C ATOM 0 H THR A 59 4.597 -4.175 1.181 1.00 0.00 H new ATOM 0 HA THR A 59 2.900 -5.897 -0.482 1.00 0.00 H new ATOM 0 HB THR A 59 3.919 -6.166 2.372 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.105 -7.944 1.408 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.951 -8.435 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.699 -7.181 2.154 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.241 -8.089 0.723 1.00 0.00 H new ATOM 824 N VAL A 60 0.706 -5.158 0.406 1.00 0.00 N ATOM 825 CA VAL A 60 -0.593 -4.679 0.865 1.00 0.00 C ATOM 826 C VAL A 60 -1.074 -5.471 2.076 1.00 0.00 C ATOM 827 O VAL A 60 -1.190 -6.696 2.025 1.00 0.00 O ATOM 828 CB VAL A 60 -1.652 -4.774 -0.249 1.00 0.00 C ATOM 829 CG1 VAL A 60 -2.969 -4.169 0.213 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.156 -4.089 -1.514 1.00 0.00 C ATOM 0 H VAL A 60 0.679 -5.673 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.464 -3.634 1.145 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.823 -5.826 -0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.705 -4.245 -0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.329 -4.707 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.818 -3.120 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.916 -4.165 -2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.956 -3.038 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.240 -4.572 -1.854 1.00 0.00 H new ATOM 840 N LEU A 61 -1.352 -4.764 3.166 1.00 0.00 N ATOM 841 CA LEU A 61 -1.822 -5.400 4.392 1.00 0.00 C ATOM 842 C LEU A 61 -3.345 -5.372 4.471 1.00 0.00 C ATOM 843 O LEU A 61 -3.989 -6.414 4.583 1.00 0.00 O ATOM 844 CB LEU A 61 -1.223 -4.702 5.614 1.00 0.00 C ATOM 845 CG LEU A 61 0.221 -5.070 5.956 1.00 0.00 C ATOM 846 CD1 LEU A 61 0.586 -4.564 7.343 1.00 0.00 C ATOM 847 CD2 LEU A 61 0.424 -6.576 5.865 1.00 0.00 C ATOM 0 H LEU A 61 -1.260 -3.750 3.226 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.497 -6.440 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.274 -3.625 5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.848 -4.926 6.478 1.00 0.00 H new ATOM 0 HG LEU A 61 0.879 -4.591 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.617 -4.835 7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.481 -3.480 7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.078 -5.014 8.081 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.457 -6.819 6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.244 -7.076 6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.204 -6.912 4.852 1.00 0.00 H new ATOM 859 N GLN A 62 -3.913 -4.172 4.411 1.00 0.00 N ATOM 860 CA GLN A 62 -5.361 -4.008 4.475 1.00 0.00 C ATOM 861 C GLN A 62 -5.795 -2.726 3.773 1.00 0.00 C ATOM 862 O GLN A 62 -5.087 -1.719 3.802 1.00 0.00 O ATOM 863 CB GLN A 62 -5.829 -3.991 5.931 1.00 0.00 C ATOM 864 CG GLN A 62 -5.274 -2.826 6.735 1.00 0.00 C ATOM 865 CD GLN A 62 -5.435 -3.020 8.230 1.00 0.00 C ATOM 866 OE1 GLN A 62 -4.508 -2.777 9.002 1.00 0.00 O ATOM 867 NE2 GLN A 62 -6.617 -3.459 8.646 1.00 0.00 N ATOM 0 H GLN A 62 -3.393 -3.299 4.318 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.821 -4.853 3.963 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.918 -3.951 5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.534 -4.925 6.410 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.217 -2.698 6.501 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.780 -1.908 6.435 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.358 -3.648 7.970 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.784 -3.608 9.641 1.00 0.00 H new ATOM 876 N LEU A 63 -6.963 -2.770 3.141 1.00 0.00 N ATOM 877 CA LEU A 63 -7.493 -1.611 2.431 1.00 0.00 C ATOM 878 C LEU A 63 -8.822 -1.165 3.032 1.00 0.00 C ATOM 879 O LEU A 63 -9.651 -1.991 3.411 1.00 0.00 O ATOM 880 CB LEU A 63 -7.674 -1.937 0.947 1.00 0.00 C ATOM 881 CG LEU A 63 -8.823 -1.220 0.238 1.00 0.00 C ATOM 882 CD1 LEU A 63 -8.482 -0.982 -1.224 1.00 0.00 C ATOM 883 CD2 LEU A 63 -10.111 -2.021 0.364 1.00 0.00 C ATOM 0 H LEU A 63 -7.561 -3.596 3.106 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.778 -0.795 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.747 -1.697 0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.826 -3.012 0.848 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.973 -0.252 0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.311 -0.471 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.585 -0.366 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.305 -1.938 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.918 -1.495 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.974 -3.003 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.364 -2.139 1.418 1.00 0.00 H new ATOM 895 N ASN A 64 -9.018 0.147 3.112 1.00 0.00 N ATOM 896 CA ASN A 64 -10.248 0.703 3.665 1.00 0.00 C ATOM 897 C ASN A 64 -10.568 0.076 5.018 1.00 0.00 C ATOM 898 O ASN A 64 -11.730 -0.172 5.339 1.00 0.00 O ATOM 899 CB ASN A 64 -11.413 0.480 2.698 1.00 0.00 C ATOM 900 CG ASN A 64 -11.134 1.043 1.318 1.00 0.00 C ATOM 901 OD1 ASN A 64 -11.481 0.434 0.306 1.00 0.00 O ATOM 902 ND2 ASN A 64 -10.504 2.211 1.271 1.00 0.00 N ATOM 0 H ASN A 64 -8.342 0.845 2.801 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.102 1.774 3.806 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.616 -0.588 2.618 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.312 0.945 3.103 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.289 2.639 0.370 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.235 2.681 2.136 1.00 0.00 H new ATOM 909 N GLU A 65 -9.530 -0.177 5.808 1.00 0.00 N ATOM 910 CA GLU A 65 -9.701 -0.775 7.127 1.00 0.00 C ATOM 911 C GLU A 65 -10.270 -2.186 7.014 1.00 0.00 C ATOM 912 O GLU A 65 -10.907 -2.686 7.942 1.00 0.00 O ATOM 913 CB GLU A 65 -10.623 0.091 7.988 1.00 0.00 C ATOM 914 CG GLU A 65 -10.112 1.507 8.192 1.00 0.00 C ATOM 915 CD GLU A 65 -11.229 2.497 8.464 1.00 0.00 C ATOM 916 OE1 GLU A 65 -11.631 2.628 9.640 1.00 0.00 O ATOM 917 OE2 GLU A 65 -11.701 3.139 7.503 1.00 0.00 O ATOM 0 H GLU A 65 -8.562 0.023 5.558 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.721 -0.833 7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.608 0.133 7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.750 -0.384 8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.410 1.519 9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.561 1.821 7.306 1.00 0.00 H new ATOM 924 N ARG A 66 -10.036 -2.823 5.871 1.00 0.00 N ATOM 925 CA ARG A 66 -10.526 -4.175 5.636 1.00 0.00 C ATOM 926 C ARG A 66 -9.381 -5.110 5.257 1.00 0.00 C ATOM 927 O ARG A 66 -8.443 -4.730 4.555 1.00 0.00 O ATOM 928 CB ARG A 66 -11.583 -4.172 4.530 1.00 0.00 C ATOM 929 CG ARG A 66 -11.481 -5.359 3.586 1.00 0.00 C ATOM 930 CD ARG A 66 -12.737 -5.511 2.743 1.00 0.00 C ATOM 931 NE ARG A 66 -13.902 -5.853 3.554 1.00 0.00 N ATOM 932 CZ ARG A 66 -15.040 -6.314 3.047 1.00 0.00 C ATOM 933 NH1 ARG A 66 -15.165 -6.486 1.738 1.00 0.00 N ATOM 934 NH2 ARG A 66 -16.057 -6.604 3.849 1.00 0.00 N ATOM 0 H ARG A 66 -9.510 -2.424 5.094 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.977 -4.537 6.560 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -12.573 -4.165 4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.491 -3.251 3.954 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.617 -5.233 2.934 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -11.316 -6.270 4.162 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.929 -4.581 2.207 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -12.578 -6.285 1.992 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.839 -5.731 4.565 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.386 -6.264 1.118 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.040 -6.840 1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.966 -6.473 4.856 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.930 -6.958 3.458 1.00 0.00 H new ATOM 948 N PRO A 67 -9.457 -6.362 5.732 1.00 0.00 N ATOM 949 CA PRO A 67 -8.435 -7.377 5.456 1.00 0.00 C ATOM 950 C PRO A 67 -8.442 -7.825 3.998 1.00 0.00 C ATOM 951 O PRO A 67 -9.460 -8.294 3.487 1.00 0.00 O ATOM 952 CB PRO A 67 -8.830 -8.537 6.374 1.00 0.00 C ATOM 953 CG PRO A 67 -10.294 -8.366 6.590 1.00 0.00 C ATOM 954 CD PRO A 67 -10.546 -6.884 6.575 1.00 0.00 C ATOM 0 HA PRO A 67 -7.428 -7.000 5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.607 -9.500 5.914 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.284 -8.500 7.316 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.865 -8.867 5.808 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.602 -8.804 7.539 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.525 -6.647 6.159 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.515 -6.461 7.579 1.00 0.00 H new ATOM 962 N VAL A 68 -7.301 -7.678 3.333 1.00 0.00 N ATOM 963 CA VAL A 68 -7.175 -8.070 1.934 1.00 0.00 C ATOM 964 C VAL A 68 -5.894 -8.861 1.698 1.00 0.00 C ATOM 965 O VAL A 68 -5.383 -8.914 0.579 1.00 0.00 O ATOM 966 CB VAL A 68 -7.187 -6.842 1.005 1.00 0.00 C ATOM 967 CG1 VAL A 68 -8.437 -6.007 1.237 1.00 0.00 C ATOM 968 CG2 VAL A 68 -5.932 -6.006 1.211 1.00 0.00 C ATOM 0 H VAL A 68 -6.450 -7.290 3.740 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.034 -8.700 1.703 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.199 -7.191 -0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.427 -5.144 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.321 -6.611 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.460 -5.666 2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.957 -5.142 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.887 -5.667 2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.052 -6.610 0.988 1.00 0.00 H new ATOM 978 N GLU A 69 -5.379 -9.474 2.759 1.00 0.00 N ATOM 979 CA GLU A 69 -4.156 -10.263 2.666 1.00 0.00 C ATOM 980 C GLU A 69 -4.365 -11.489 1.781 1.00 0.00 C ATOM 981 O GLU A 69 -3.433 -11.966 1.132 1.00 0.00 O ATOM 982 CB GLU A 69 -3.696 -10.698 4.059 1.00 0.00 C ATOM 983 CG GLU A 69 -2.881 -9.643 4.788 1.00 0.00 C ATOM 984 CD GLU A 69 -2.201 -10.186 6.030 1.00 0.00 C ATOM 985 OE1 GLU A 69 -2.861 -10.247 7.088 1.00 0.00 O ATOM 986 OE2 GLU A 69 -1.010 -10.550 5.943 1.00 0.00 O ATOM 0 H GLU A 69 -5.789 -9.440 3.692 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.385 -9.638 2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.571 -10.948 4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.101 -11.607 3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.127 -9.241 4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.532 -8.815 5.068 1.00 0.00 H new ATOM 993 N HIS A 70 -5.594 -11.994 1.761 1.00 0.00 N ATOM 994 CA HIS A 70 -5.926 -13.164 0.956 1.00 0.00 C ATOM 995 C HIS A 70 -6.649 -12.756 -0.325 1.00 0.00 C ATOM 996 O HIS A 70 -7.439 -13.523 -0.874 1.00 0.00 O ATOM 997 CB HIS A 70 -6.796 -14.132 1.759 1.00 0.00 C ATOM 998 CG HIS A 70 -6.103 -14.706 2.957 1.00 0.00 C ATOM 999 ND1 HIS A 70 -6.483 -14.425 4.252 1.00 0.00 N ATOM 1000 CD2 HIS A 70 -5.051 -15.552 3.050 1.00 0.00 C ATOM 1001 CE1 HIS A 70 -5.692 -15.072 5.090 1.00 0.00 C ATOM 1002 NE2 HIS A 70 -4.815 -15.763 4.386 1.00 0.00 N ATOM 0 H HIS A 70 -6.376 -11.612 2.293 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.995 -13.662 0.684 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.697 -13.613 2.085 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.115 -14.947 1.109 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.500 -15.981 2.227 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.753 -15.041 6.168 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.081 -16.357 4.772 1.00 0.00 H new ATOM 1011 N TRP A 71 -6.372 -11.544 -0.793 1.00 0.00 N ATOM 1012 CA TRP A 71 -6.997 -11.034 -2.008 1.00 0.00 C ATOM 1013 C TRP A 71 -6.022 -11.078 -3.180 1.00 0.00 C ATOM 1014 O TRP A 71 -4.806 -11.073 -2.990 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.489 -9.602 -1.791 1.00 0.00 C ATOM 1016 CG TRP A 71 -8.678 -9.514 -0.883 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -9.068 -10.434 0.048 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -9.631 -8.448 -0.821 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -10.207 -10.004 0.685 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -10.572 -8.788 0.171 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -9.781 -7.239 -1.505 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -11.646 -7.963 0.492 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -10.848 -6.421 -1.185 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -11.769 -6.785 -0.193 1.00 0.00 C ATOM 0 H TRP A 71 -5.720 -10.897 -0.350 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.849 -11.671 -2.244 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.677 -9.006 -1.374 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.744 -9.163 -2.756 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.556 -11.363 0.253 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.701 -10.509 1.421 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.076 -6.949 -2.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.357 -8.243 1.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.974 -5.485 -1.708 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.591 -6.123 0.035 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.564 -11.120 -4.393 1.00 0.00 N ATOM 1036 CA LYS A 72 -5.743 -11.163 -5.597 1.00 0.00 C ATOM 1037 C LYS A 72 -5.899 -9.880 -6.408 1.00 0.00 C ATOM 1038 O LYS A 72 -6.864 -9.136 -6.230 1.00 0.00 O ATOM 1039 CB LYS A 72 -6.122 -12.371 -6.456 1.00 0.00 C ATOM 1040 CG LYS A 72 -5.700 -13.701 -5.855 1.00 0.00 C ATOM 1041 CD LYS A 72 -5.474 -14.751 -6.929 1.00 0.00 C ATOM 1042 CE LYS A 72 -6.788 -15.218 -7.538 1.00 0.00 C ATOM 1043 NZ LYS A 72 -7.654 -15.895 -6.534 1.00 0.00 N ATOM 0 H LYS A 72 -7.569 -11.125 -4.568 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.701 -11.255 -5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.202 -12.376 -6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.664 -12.265 -7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.785 -13.567 -5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.466 -14.048 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.835 -14.341 -7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.947 -15.604 -6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.318 -14.363 -7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.584 -15.902 -8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.379 -16.457 -7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.073 -16.521 -5.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.116 -15.181 -5.936 1.00 0.00 H new ATOM 1057 N CYS A 73 -4.946 -9.629 -7.299 1.00 0.00 N ATOM 1058 CA CYS A 73 -4.979 -8.437 -8.139 1.00 0.00 C ATOM 1059 C CYS A 73 -6.414 -8.058 -8.489 1.00 0.00 C ATOM 1060 O CYS A 73 -6.808 -6.898 -8.371 1.00 0.00 O ATOM 1061 CB CYS A 73 -4.173 -8.666 -9.418 1.00 0.00 C ATOM 1062 SG CYS A 73 -4.489 -7.450 -10.718 1.00 0.00 S ATOM 0 H CYS A 73 -4.141 -10.235 -7.458 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.532 -7.616 -7.579 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.111 -8.652 -9.173 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.398 -9.661 -9.803 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.760 -7.727 -11.758 1.00 0.00 H new ATOM 1068 N VAL A 74 -7.193 -9.045 -8.922 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.584 -8.815 -9.291 1.00 0.00 C ATOM 1070 C VAL A 74 -9.399 -8.340 -8.093 1.00 0.00 C ATOM 1071 O VAL A 74 -9.748 -7.164 -7.995 1.00 0.00 O ATOM 1072 CB VAL A 74 -9.231 -10.091 -9.864 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -10.684 -9.834 -10.232 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -8.448 -10.590 -11.068 1.00 0.00 C ATOM 0 H VAL A 74 -6.884 -10.011 -9.026 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.584 -8.040 -10.058 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.207 -10.865 -9.097 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.124 -10.746 -10.635 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.235 -9.527 -9.343 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.735 -9.045 -10.982 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.919 -11.492 -11.460 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.438 -9.821 -11.840 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.425 -10.816 -10.768 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.697 -9.262 -7.184 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.472 -8.937 -5.992 1.00 0.00 C ATOM 1086 C GLU A 75 -10.137 -7.534 -5.492 1.00 0.00 C ATOM 1087 O GLU A 75 -11.025 -6.703 -5.299 1.00 0.00 O ATOM 1088 CB GLU A 75 -10.204 -9.961 -4.887 1.00 0.00 C ATOM 1089 CG GLU A 75 -11.003 -11.244 -5.040 1.00 0.00 C ATOM 1090 CD GLU A 75 -12.498 -11.017 -4.928 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -12.947 -10.525 -3.871 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -13.220 -11.331 -5.898 1.00 0.00 O ATOM 0 H GLU A 75 -9.414 -10.240 -7.250 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.529 -8.968 -6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.141 -10.204 -4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.437 -9.511 -3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.779 -11.694 -6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.689 -11.956 -4.277 1.00 0.00 H new ATOM 1099 N LEU A 76 -8.850 -7.278 -5.283 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.396 -5.977 -4.806 1.00 0.00 C ATOM 1101 C LEU A 76 -8.733 -4.880 -5.811 1.00 0.00 C ATOM 1102 O LEU A 76 -9.420 -3.914 -5.483 1.00 0.00 O ATOM 1103 CB LEU A 76 -6.889 -6.004 -4.548 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.291 -4.740 -3.927 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -7.168 -4.239 -2.790 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -4.876 -5.006 -3.435 1.00 0.00 C ATOM 0 H LEU A 76 -8.103 -7.955 -5.437 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.914 -5.759 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.668 -6.846 -3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.382 -6.195 -5.494 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.248 -3.966 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.728 -3.339 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.163 -4.009 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.243 -5.009 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.466 -4.096 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.895 -5.795 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.252 -5.318 -4.273 1.00 0.00 H new ATOM 1118 N ALA A 77 -8.245 -5.038 -7.037 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.497 -4.064 -8.091 1.00 0.00 C ATOM 1120 C ALA A 77 -9.962 -3.642 -8.109 1.00 0.00 C ATOM 1121 O ALA A 77 -10.297 -2.542 -8.551 1.00 0.00 O ATOM 1122 CB ALA A 77 -8.093 -4.633 -9.443 1.00 0.00 C ATOM 0 H ALA A 77 -7.673 -5.832 -7.324 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.894 -3.180 -7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.287 -3.895 -10.221 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.031 -4.878 -9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.671 -5.534 -9.646 1.00 0.00 H new ATOM 1128 N HIS A 78 -10.833 -4.523 -7.627 1.00 0.00 N ATOM 1129 CA HIS A 78 -12.264 -4.242 -7.589 1.00 0.00 C ATOM 1130 C HIS A 78 -12.568 -3.108 -6.614 1.00 0.00 C ATOM 1131 O HIS A 78 -13.418 -2.259 -6.881 1.00 0.00 O ATOM 1132 CB HIS A 78 -13.042 -5.496 -7.189 1.00 0.00 C ATOM 1133 CG HIS A 78 -14.511 -5.401 -7.460 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -15.466 -5.975 -6.647 1.00 0.00 N ATOM 1135 CD2 HIS A 78 -15.189 -4.793 -8.462 1.00 0.00 C ATOM 1136 CE1 HIS A 78 -16.667 -5.726 -7.137 1.00 0.00 C ATOM 1137 NE2 HIS A 78 -16.527 -5.009 -8.238 1.00 0.00 N ATOM 0 H HIS A 78 -10.573 -5.437 -7.257 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.575 -3.934 -8.587 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.636 -6.352 -7.727 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -12.888 -5.685 -6.127 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -14.758 -4.241 -9.284 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -17.604 -6.053 -6.710 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -17.289 -4.671 -8.826 1.00 0.00 H new ATOM 1146 N GLU A 79 -11.869 -3.102 -5.483 1.00 0.00 N ATOM 1147 CA GLU A 79 -12.066 -2.073 -4.469 1.00 0.00 C ATOM 1148 C GLU A 79 -11.550 -0.723 -4.956 1.00 0.00 C ATOM 1149 O GLU A 79 -12.197 0.307 -4.764 1.00 0.00 O ATOM 1150 CB GLU A 79 -11.359 -2.464 -3.170 1.00 0.00 C ATOM 1151 CG GLU A 79 -12.231 -3.265 -2.218 1.00 0.00 C ATOM 1152 CD GLU A 79 -13.379 -2.450 -1.654 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -14.450 -2.412 -2.295 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -13.206 -1.850 -0.572 1.00 0.00 O ATOM 0 H GLU A 79 -11.162 -3.798 -5.246 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.136 -1.986 -4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.470 -3.046 -3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.020 -1.560 -2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.630 -4.134 -2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.618 -3.639 -1.398 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.380 -0.735 -5.586 1.00 0.00 N ATOM 1162 CA ILE A 80 -9.777 0.487 -6.101 1.00 0.00 C ATOM 1163 C ILE A 80 -10.632 1.099 -7.206 1.00 0.00 C ATOM 1164 O ILE A 80 -10.855 2.310 -7.234 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.360 0.229 -6.648 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.459 -0.329 -5.545 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -7.773 1.510 -7.222 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -7.445 -1.840 -5.483 1.00 0.00 C ATOM 0 H ILE A 80 -9.831 -1.578 -5.752 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.714 1.184 -5.265 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.423 -0.509 -7.448 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.442 0.030 -5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.790 0.063 -4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.772 1.312 -7.605 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.407 1.869 -8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.719 2.268 -6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.786 -2.165 -4.678 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.454 -2.206 -5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.085 -2.240 -6.431 1.00 0.00 H new ATOM 1180 N ARG A 81 -11.110 0.254 -8.114 1.00 0.00 N ATOM 1181 CA ARG A 81 -11.941 0.712 -9.220 1.00 0.00 C ATOM 1182 C ARG A 81 -13.343 1.070 -8.735 1.00 0.00 C ATOM 1183 O ARG A 81 -14.013 1.922 -9.318 1.00 0.00 O ATOM 1184 CB ARG A 81 -12.024 -0.366 -10.303 1.00 0.00 C ATOM 1185 CG ARG A 81 -13.072 -1.431 -10.023 1.00 0.00 C ATOM 1186 CD ARG A 81 -13.291 -2.328 -11.231 1.00 0.00 C ATOM 1187 NE ARG A 81 -12.250 -3.345 -11.353 1.00 0.00 N ATOM 1188 CZ ARG A 81 -11.997 -4.008 -12.476 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -12.706 -3.761 -13.569 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -11.033 -4.919 -12.508 1.00 0.00 N ATOM 0 H ARG A 81 -10.936 -0.751 -8.105 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.482 1.606 -9.641 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.246 0.108 -11.259 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -11.050 -0.844 -10.403 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -12.760 -2.035 -9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.013 -0.954 -9.747 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.264 -2.813 -11.151 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.311 -1.720 -12.135 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.686 -3.558 -10.530 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.447 -3.061 -13.549 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.510 -4.271 -14.430 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.485 -5.111 -11.670 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.840 -5.427 -13.371 1.00 0.00 H new ATOM 1204 N SER A 82 -13.779 0.413 -7.665 1.00 0.00 N ATOM 1205 CA SER A 82 -15.102 0.659 -7.104 1.00 0.00 C ATOM 1206 C SER A 82 -15.319 2.149 -6.857 1.00 0.00 C ATOM 1207 O SER A 82 -16.337 2.714 -7.258 1.00 0.00 O ATOM 1208 CB SER A 82 -15.278 -0.117 -5.798 1.00 0.00 C ATOM 1209 OG SER A 82 -15.816 -1.406 -6.038 1.00 0.00 O ATOM 0 H SER A 82 -13.235 -0.294 -7.169 1.00 0.00 H new ATOM 0 HA SER A 82 -15.844 0.316 -7.825 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.316 -0.209 -5.294 1.00 0.00 H new ATOM 0 HB3 SER A 82 -15.937 0.436 -5.129 1.00 0.00 H new ATOM 0 HG SER A 82 -15.135 -1.971 -6.459 1.00 0.00 H new ATOM 1215 N CYS A 83 -14.356 2.778 -6.193 1.00 0.00 N ATOM 1216 CA CYS A 83 -14.441 4.203 -5.891 1.00 0.00 C ATOM 1217 C CYS A 83 -13.516 5.007 -6.799 1.00 0.00 C ATOM 1218 O CYS A 83 -12.307 5.088 -6.580 1.00 0.00 O ATOM 1219 CB CYS A 83 -14.084 4.456 -4.426 1.00 0.00 C ATOM 1220 SG CYS A 83 -15.482 4.307 -3.289 1.00 0.00 S ATOM 0 H CYS A 83 -13.508 2.325 -5.854 1.00 0.00 H new ATOM 0 HA CYS A 83 -15.466 4.527 -6.069 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.308 3.752 -4.125 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.660 5.456 -4.334 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.080 4.536 -2.074 1.00 0.00 H new ATOM 1226 N PRO A 84 -14.096 5.616 -7.844 1.00 0.00 N ATOM 1227 CA PRO A 84 -13.342 6.424 -8.807 1.00 0.00 C ATOM 1228 C PRO A 84 -12.839 7.730 -8.200 1.00 0.00 C ATOM 1229 O PRO A 84 -12.034 8.438 -8.806 1.00 0.00 O ATOM 1230 CB PRO A 84 -14.365 6.707 -9.910 1.00 0.00 C ATOM 1231 CG PRO A 84 -15.688 6.610 -9.234 1.00 0.00 C ATOM 1232 CD PRO A 84 -15.532 5.563 -8.166 1.00 0.00 C ATOM 0 HA PRO A 84 -12.447 5.910 -9.158 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.215 7.695 -10.345 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.282 5.985 -10.722 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.977 7.568 -8.802 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.469 6.332 -9.942 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -16.148 5.783 -7.294 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.828 4.577 -8.524 1.00 0.00 H new ATOM 1240 N SER A 85 -13.317 8.042 -7.000 1.00 0.00 N ATOM 1241 CA SER A 85 -12.918 9.265 -6.313 1.00 0.00 C ATOM 1242 C SER A 85 -11.554 9.095 -5.650 1.00 0.00 C ATOM 1243 O SER A 85 -10.548 9.608 -6.138 1.00 0.00 O ATOM 1244 CB SER A 85 -13.963 9.649 -5.263 1.00 0.00 C ATOM 1245 OG SER A 85 -14.264 8.553 -4.418 1.00 0.00 O ATOM 0 H SER A 85 -13.981 7.465 -6.483 1.00 0.00 H new ATOM 0 HA SER A 85 -12.847 10.062 -7.053 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.593 10.482 -4.665 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.872 9.991 -5.758 1.00 0.00 H new ATOM 0 HG SER A 85 -14.933 8.825 -3.755 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.531 8.371 -4.535 1.00 0.00 N ATOM 1252 CA GLU A 86 -10.291 8.134 -3.805 1.00 0.00 C ATOM 1253 C GLU A 86 -10.329 6.786 -3.092 1.00 0.00 C ATOM 1254 O GLU A 86 -11.401 6.268 -2.778 1.00 0.00 O ATOM 1255 CB GLU A 86 -10.049 9.254 -2.791 1.00 0.00 C ATOM 1256 CG GLU A 86 -9.278 10.434 -3.358 1.00 0.00 C ATOM 1257 CD GLU A 86 -9.611 11.738 -2.661 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -10.814 12.040 -2.513 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -8.670 12.457 -2.265 1.00 0.00 O ATOM 0 H GLU A 86 -12.356 7.939 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.472 8.122 -4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.010 9.606 -2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.502 8.849 -1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.209 10.241 -3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.497 10.529 -4.422 1.00 0.00 H new ATOM 1266 N ILE A 87 -9.151 6.223 -2.840 1.00 0.00 N ATOM 1267 CA ILE A 87 -9.050 4.936 -2.164 1.00 0.00 C ATOM 1268 C ILE A 87 -7.912 4.937 -1.148 1.00 0.00 C ATOM 1269 O ILE A 87 -6.894 5.602 -1.342 1.00 0.00 O ATOM 1270 CB ILE A 87 -8.825 3.789 -3.168 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -7.494 3.975 -3.898 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -9.976 3.722 -4.161 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -6.331 3.283 -3.221 1.00 0.00 C ATOM 0 H ILE A 87 -8.255 6.638 -3.094 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.996 4.776 -1.647 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.788 2.847 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.590 3.595 -4.915 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.277 5.040 -3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.803 2.907 -4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.909 3.547 -3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.041 4.664 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.420 3.458 -3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.208 3.680 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.526 2.212 -3.168 1.00 0.00 H new ATOM 1285 N ILE A 88 -8.092 4.188 -0.066 1.00 0.00 N ATOM 1286 CA ILE A 88 -7.080 4.100 0.979 1.00 0.00 C ATOM 1287 C ILE A 88 -6.472 2.703 1.039 1.00 0.00 C ATOM 1288 O ILE A 88 -7.188 1.701 1.031 1.00 0.00 O ATOM 1289 CB ILE A 88 -7.664 4.453 2.360 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.415 5.785 2.295 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -6.559 4.513 3.403 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -7.504 6.991 2.242 1.00 0.00 C ATOM 0 H ILE A 88 -8.930 3.633 0.110 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.303 4.822 0.727 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.369 3.673 2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.059 5.787 1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -9.065 5.869 3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.988 4.764 4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.064 3.544 3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.832 5.275 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -8.105 7.899 2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.878 7.014 3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.871 6.931 1.356 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.146 2.644 1.102 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.439 1.369 1.166 1.00 0.00 C ATOM 1306 C LEU A 89 -3.306 1.425 2.185 1.00 0.00 C ATOM 1307 O LEU A 89 -2.510 2.365 2.193 1.00 0.00 O ATOM 1308 CB LEU A 89 -3.884 1.002 -0.212 1.00 0.00 C ATOM 1309 CG LEU A 89 -2.846 1.961 -0.794 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -1.933 1.232 -1.769 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -3.529 3.136 -1.478 1.00 0.00 C ATOM 0 H LEU A 89 -4.539 3.464 1.110 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.148 0.604 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.438 0.010 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.718 0.933 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.237 2.346 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.200 1.931 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.416 0.425 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.527 0.818 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.774 3.808 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.163 2.769 -2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.140 3.674 -0.753 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.238 0.413 3.042 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.200 0.345 4.065 1.00 0.00 C ATOM 1325 C LEU A 90 -1.147 -0.697 3.704 1.00 0.00 C ATOM 1326 O LEU A 90 -1.475 -1.829 3.347 1.00 0.00 O ATOM 1327 CB LEU A 90 -2.817 0.013 5.425 1.00 0.00 C ATOM 1328 CG LEU A 90 -1.831 -0.225 6.569 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -1.248 1.093 7.054 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.511 -0.962 7.714 1.00 0.00 C ATOM 0 H LEU A 90 -3.889 -0.372 3.049 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.716 1.320 4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.482 0.829 5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.435 -0.878 5.313 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.015 -0.845 6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.549 0.904 7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.725 1.584 6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.052 1.738 7.409 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.795 -1.123 8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.346 -0.367 8.084 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.880 -1.924 7.359 1.00 0.00 H new ATOM 1342 N VAL A 91 0.121 -0.309 3.800 1.00 0.00 N ATOM 1343 CA VAL A 91 1.223 -1.210 3.487 1.00 0.00 C ATOM 1344 C VAL A 91 2.284 -1.182 4.581 1.00 0.00 C ATOM 1345 O VAL A 91 2.285 -0.296 5.436 1.00 0.00 O ATOM 1346 CB VAL A 91 1.879 -0.848 2.141 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.905 -1.071 0.995 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.373 0.590 2.160 1.00 0.00 C ATOM 0 H VAL A 91 0.410 0.624 4.092 1.00 0.00 H new ATOM 0 HA VAL A 91 0.802 -2.213 3.419 1.00 0.00 H new ATOM 0 HB VAL A 91 2.738 -1.501 1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.386 -0.810 0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.605 -2.119 0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.025 -0.445 1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.834 0.829 1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.532 1.261 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.108 0.712 2.956 1.00 0.00 H new ATOM 1358 N TRP A 92 3.187 -2.156 4.548 1.00 0.00 N ATOM 1359 CA TRP A 92 4.255 -2.242 5.537 1.00 0.00 C ATOM 1360 C TRP A 92 5.560 -1.687 4.979 1.00 0.00 C ATOM 1361 O TRP A 92 5.950 -2.004 3.855 1.00 0.00 O ATOM 1362 CB TRP A 92 4.451 -3.693 5.980 1.00 0.00 C ATOM 1363 CG TRP A 92 5.716 -3.912 6.754 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.944 -4.224 6.245 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.875 -3.836 8.175 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.858 -4.347 7.264 1.00 0.00 N ATOM 1367 CE2 TRP A 92 7.227 -4.114 8.458 1.00 0.00 C ATOM 1368 CE3 TRP A 92 5.009 -3.560 9.235 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 7.729 -4.123 9.756 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 5.508 -3.570 10.524 1.00 0.00 C ATOM 1371 CH2 TRP A 92 6.858 -3.849 10.775 1.00 0.00 C ATOM 0 H TRP A 92 3.201 -2.897 3.847 1.00 0.00 H new ATOM 0 HA TRP A 92 3.967 -1.641 6.400 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.602 -3.996 6.592 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.456 -4.337 5.100 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.165 -4.355 5.196 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.846 -4.575 7.150 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.967 -3.342 9.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 8.769 -4.339 9.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 4.846 -3.359 11.351 1.00 0.00 H new ATOM 0 HH2 TRP A 92 7.218 -3.848 11.793 1.00 0.00 H new ATOM 1382 N ARG A 93 6.232 -0.858 5.770 1.00 0.00 N ATOM 1383 CA ARG A 93 7.494 -0.258 5.353 1.00 0.00 C ATOM 1384 C ARG A 93 8.569 -0.458 6.418 1.00 0.00 C ATOM 1385 O ARG A 93 8.308 -0.315 7.613 1.00 0.00 O ATOM 1386 CB ARG A 93 7.307 1.235 5.076 1.00 0.00 C ATOM 1387 CG ARG A 93 8.293 1.795 4.065 1.00 0.00 C ATOM 1388 CD ARG A 93 7.809 3.115 3.486 1.00 0.00 C ATOM 1389 NE ARG A 93 6.652 2.939 2.613 1.00 0.00 N ATOM 1390 CZ ARG A 93 5.835 3.927 2.267 1.00 0.00 C ATOM 1391 NH1 ARG A 93 6.048 5.156 2.717 1.00 0.00 N ATOM 1392 NH2 ARG A 93 4.803 3.688 1.469 1.00 0.00 N ATOM 0 H ARG A 93 5.924 -0.586 6.704 1.00 0.00 H new ATOM 0 HA ARG A 93 7.817 -0.753 4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.293 1.404 4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.407 1.785 6.012 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.262 1.940 4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.438 1.075 3.260 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.550 3.794 4.299 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.618 3.583 2.925 1.00 0.00 H new ATOM 0 HE ARG A 93 6.461 2.006 2.249 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.841 5.344 3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.419 5.913 2.450 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.636 2.744 1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.176 4.448 1.204 1.00 0.00 H new ATOM 1406 N VAL A 94 9.778 -0.789 5.976 1.00 0.00 N ATOM 1407 CA VAL A 94 10.893 -1.008 6.890 1.00 0.00 C ATOM 1408 C VAL A 94 11.983 0.038 6.688 1.00 0.00 C ATOM 1409 O VAL A 94 12.239 0.473 5.565 1.00 0.00 O ATOM 1410 CB VAL A 94 11.502 -2.411 6.707 1.00 0.00 C ATOM 1411 CG1 VAL A 94 11.968 -2.607 5.273 1.00 0.00 C ATOM 1412 CG2 VAL A 94 12.648 -2.625 7.684 1.00 0.00 C ATOM 0 H VAL A 94 10.010 -0.911 4.990 1.00 0.00 H new ATOM 0 HA VAL A 94 10.495 -0.922 7.901 1.00 0.00 H new ATOM 0 HB VAL A 94 10.732 -3.154 6.918 1.00 0.00 H new ATOM 0 HG11 VAL A 94 12.395 -3.604 5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 94 11.120 -2.499 4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.723 -1.859 5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 94 13.067 -3.621 7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.421 -1.877 7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.278 -2.530 8.705 1.00 0.00 H new ATOM 1422 N SER A 95 12.623 0.438 7.782 1.00 0.00 N ATOM 1423 CA SER A 95 13.685 1.435 7.725 1.00 0.00 C ATOM 1424 C SER A 95 15.056 0.778 7.852 1.00 0.00 C ATOM 1425 O SER A 95 15.475 0.396 8.944 1.00 0.00 O ATOM 1426 CB SER A 95 13.499 2.472 8.835 1.00 0.00 C ATOM 1427 OG SER A 95 12.383 3.305 8.573 1.00 0.00 O ATOM 0 H SER A 95 12.424 0.087 8.719 1.00 0.00 H new ATOM 0 HA SER A 95 13.629 1.934 6.757 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.363 1.966 9.791 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.399 3.081 8.922 1.00 0.00 H new ATOM 0 HG SER A 95 12.285 3.958 9.297 1.00 0.00 H new ATOM 1433 N GLY A 96 15.750 0.650 6.725 1.00 0.00 N ATOM 1434 CA GLY A 96 17.066 0.038 6.731 1.00 0.00 C ATOM 1435 C GLY A 96 18.159 1.010 6.330 1.00 0.00 C ATOM 1436 O GLY A 96 18.027 2.224 6.486 1.00 0.00 O ATOM 0 H GLY A 96 15.425 0.959 5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.278 -0.352 7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.071 -0.812 6.048 1.00 0.00 H new ATOM 1440 N PRO A 97 19.268 0.473 5.801 1.00 0.00 N ATOM 1441 CA PRO A 97 20.410 1.284 5.367 1.00 0.00 C ATOM 1442 C PRO A 97 20.097 2.107 4.122 1.00 0.00 C ATOM 1443 O PRO A 97 20.006 1.570 3.018 1.00 0.00 O ATOM 1444 CB PRO A 97 21.489 0.242 5.061 1.00 0.00 C ATOM 1445 CG PRO A 97 20.734 -1.001 4.736 1.00 0.00 C ATOM 1446 CD PRO A 97 19.493 -0.966 5.585 1.00 0.00 C ATOM 0 HA PRO A 97 20.703 2.012 6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.116 0.554 4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 97 22.149 0.092 5.916 1.00 0.00 H new ATOM 0 HG2 PRO A 97 20.481 -1.038 3.676 1.00 0.00 H new ATOM 0 HG3 PRO A 97 21.330 -1.888 4.953 1.00 0.00 H new ATOM 0 HD2 PRO A 97 18.648 -1.434 5.080 1.00 0.00 H new ATOM 0 HD3 PRO A 97 19.635 -1.496 6.527 1.00 0.00 H new ATOM 1454 N SER A 98 19.933 3.413 4.307 1.00 0.00 N ATOM 1455 CA SER A 98 19.626 4.309 3.199 1.00 0.00 C ATOM 1456 C SER A 98 20.881 4.623 2.390 1.00 0.00 C ATOM 1457 O SER A 98 20.888 4.509 1.165 1.00 0.00 O ATOM 1458 CB SER A 98 19.005 5.606 3.722 1.00 0.00 C ATOM 1459 OG SER A 98 17.681 5.390 4.178 1.00 0.00 O ATOM 0 H SER A 98 20.008 3.874 5.214 1.00 0.00 H new ATOM 0 HA SER A 98 18.910 3.808 2.547 1.00 0.00 H new ATOM 0 HB2 SER A 98 19.613 6.002 4.535 1.00 0.00 H new ATOM 0 HB3 SER A 98 19.003 6.356 2.931 1.00 0.00 H new ATOM 0 HG SER A 98 17.307 6.233 4.509 1.00 0.00 H new ATOM 1465 N SER A 99 21.943 5.017 3.086 1.00 0.00 N ATOM 1466 CA SER A 99 23.203 5.351 2.434 1.00 0.00 C ATOM 1467 C SER A 99 23.645 4.229 1.499 1.00 0.00 C ATOM 1468 O SER A 99 24.211 3.228 1.935 1.00 0.00 O ATOM 1469 CB SER A 99 24.288 5.615 3.479 1.00 0.00 C ATOM 1470 OG SER A 99 25.350 6.377 2.931 1.00 0.00 O ATOM 0 H SER A 99 21.955 5.113 4.101 1.00 0.00 H new ATOM 0 HA SER A 99 23.049 6.254 1.843 1.00 0.00 H new ATOM 0 HB2 SER A 99 23.857 6.144 4.329 1.00 0.00 H new ATOM 0 HB3 SER A 99 24.673 4.667 3.855 1.00 0.00 H new ATOM 0 HG SER A 99 26.030 6.534 3.620 1.00 0.00 H new ATOM 1476 N GLY A 100 23.381 4.406 0.207 1.00 0.00 N ATOM 1477 CA GLY A 100 23.757 3.401 -0.771 1.00 0.00 C ATOM 1478 C GLY A 100 22.926 2.139 -0.654 1.00 0.00 C ATOM 1479 O GLY A 100 22.259 1.737 -1.607 1.00 0.00 O ATOM 0 H GLY A 100 22.914 5.227 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 100 23.645 3.814 -1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 100 24.811 3.152 -0.645 1.00 0.00 H new TER 1483 GLY A 100