USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 863 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 99 LYS NZ :NH3+ -158:sc= 0.497 (180deg=0) USER MOD Set 1.2: A 103 GLN : amide:sc= 0.448 K(o=0.95,f=-2.5!) USER MOD Set 2.1: A 21 CYS SG : rot 14:sc= 0.0407 USER MOD Set 2.2: A 23 MET CE :methyl 153:sc= -0.2 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= 0.0343 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.72 USER MOD Single : A 6 GLN : amide:sc= -0.0116 X(o=-0.012,f=0.35) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-5.7!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.116 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0236 K(o=-0.024,f=-0.68) USER MOD Single : A 26 ASN : amide:sc= -0.117 K(o=-0.12,f=-1) USER MOD Single : A 27 GLN : amide:sc= -0.0497 X(o=-0.05,f=-0.17) USER MOD Single : A 32 THR OG1 : rot -73:sc= -3.5! USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 94:sc= 0.0856 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.629 F(o=-1.8!,f=-0.63) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.0249 (180deg=-0.186) USER MOD Single : A 47 SER OG : rot -75:sc= -3.29! USER MOD Single : A 48 ASN :FLIP amide:sc= -0.681 F(o=-3.9!,f=-0.68) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -2.74! C(o=-2.7!,f=-7.4!) USER MOD Single : A 56 SER OG : rot -61:sc= 0.845 USER MOD Single : A 59 THR OG1 : rot 30:sc= 1.03 USER MOD Single : A 64 LYS NZ :NH3+ -105:sc= -1.08 (180deg=-2.73) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.35) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.804! USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.147 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 85 LYS NZ :NH3+ 136:sc= -0.239 (180deg=-1.17!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -71:sc= 0.58 USER MOD Single : A 96 HIS : no HD1:sc= -0.024 X(o=-0.024,f=0.00083) USER MOD Single : A 98 ASN : amide:sc= -2.37! C(o=-2.4!,f=-5!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0465) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.693 21.870 -11.266 1.00 0.00 N ATOM 2 CA MET A 1 -16.866 23.335 -11.055 1.00 0.00 C ATOM 3 C MET A 1 -16.749 24.058 -12.393 1.00 0.00 C ATOM 4 O MET A 1 -17.121 23.519 -13.435 1.00 0.00 O ATOM 5 CB MET A 1 -15.790 23.841 -10.091 1.00 0.00 C ATOM 6 CG MET A 1 -16.433 24.756 -9.048 1.00 0.00 C ATOM 7 SD MET A 1 -17.620 23.808 -8.063 1.00 0.00 S ATOM 8 CE MET A 1 -16.984 24.270 -6.432 1.00 0.00 C ATOM 0 H1 MET A 1 -17.354 21.351 -10.654 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.887 21.637 -12.261 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.717 21.598 -11.031 1.00 0.00 H new ATOM 0 HA MET A 1 -17.849 23.531 -10.628 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.301 23.000 -9.601 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.019 24.382 -10.640 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.666 25.183 -8.401 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.935 25.589 -9.540 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.581 23.787 -5.658 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.946 23.950 -6.342 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.041 25.352 -6.312 1.00 0.00 H new ATOM 18 N THR A 2 -16.231 25.281 -12.357 1.00 0.00 N ATOM 19 CA THR A 2 -16.074 26.067 -13.574 1.00 0.00 C ATOM 20 C THR A 2 -14.998 27.131 -13.392 1.00 0.00 C ATOM 21 O THR A 2 -14.955 27.818 -12.372 1.00 0.00 O ATOM 22 CB THR A 2 -17.401 26.736 -13.935 1.00 0.00 C ATOM 23 OG1 THR A 2 -18.465 25.826 -13.699 1.00 0.00 O ATOM 24 CG2 THR A 2 -17.387 27.141 -15.410 1.00 0.00 C ATOM 0 H THR A 2 -15.915 25.746 -11.506 1.00 0.00 H new ATOM 0 HA THR A 2 -15.772 25.398 -14.380 1.00 0.00 H new ATOM 0 HB THR A 2 -17.540 27.625 -13.321 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.317 26.252 -13.928 1.00 0.00 H new ATOM 0 HG21 THR A 2 -18.333 27.618 -15.665 1.00 0.00 H new ATOM 0 HG22 THR A 2 -16.569 27.840 -15.588 1.00 0.00 H new ATOM 0 HG23 THR A 2 -17.248 26.255 -16.029 1.00 0.00 H new ATOM 32 N ALA A 3 -14.133 27.263 -14.392 1.00 0.00 N ATOM 33 CA ALA A 3 -13.060 28.247 -14.338 1.00 0.00 C ATOM 34 C ALA A 3 -12.834 28.858 -15.716 1.00 0.00 C ATOM 35 O ALA A 3 -13.556 28.550 -16.664 1.00 0.00 O ATOM 36 CB ALA A 3 -11.770 27.588 -13.848 1.00 0.00 C ATOM 0 H ALA A 3 -14.154 26.704 -15.245 1.00 0.00 H new ATOM 0 HA ALA A 3 -13.346 29.037 -13.643 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -10.973 28.331 -13.811 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -11.928 27.175 -12.852 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.488 26.787 -14.532 1.00 0.00 H new ATOM 42 N GLU A 4 -11.833 29.724 -15.823 1.00 0.00 N ATOM 43 CA GLU A 4 -11.535 30.368 -17.096 1.00 0.00 C ATOM 44 C GLU A 4 -12.763 31.108 -17.614 1.00 0.00 C ATOM 45 O GLU A 4 -13.279 32.009 -16.952 1.00 0.00 O ATOM 46 CB GLU A 4 -11.095 29.320 -18.120 1.00 0.00 C ATOM 47 CG GLU A 4 -10.427 30.015 -19.307 1.00 0.00 C ATOM 48 CD GLU A 4 -9.055 30.537 -18.898 1.00 0.00 C ATOM 49 OE1 GLU A 4 -8.368 29.836 -18.175 1.00 0.00 O ATOM 50 OE2 GLU A 4 -8.711 31.631 -19.315 1.00 0.00 O ATOM 0 H GLU A 4 -11.221 29.994 -15.053 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.728 31.085 -16.944 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.402 28.616 -17.660 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.956 28.744 -18.460 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.327 29.318 -20.139 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.050 30.839 -19.655 1.00 0.00 H new ATOM 57 N LEU A 5 -13.232 30.722 -18.797 1.00 0.00 N ATOM 58 CA LEU A 5 -14.406 31.358 -19.383 1.00 0.00 C ATOM 59 C LEU A 5 -15.531 31.435 -18.356 1.00 0.00 C ATOM 60 O LEU A 5 -15.366 31.013 -17.212 1.00 0.00 O ATOM 61 CB LEU A 5 -14.877 30.565 -20.605 1.00 0.00 C ATOM 62 CG LEU A 5 -14.761 29.065 -20.322 1.00 0.00 C ATOM 63 CD1 LEU A 5 -16.083 28.376 -20.660 1.00 0.00 C ATOM 64 CD2 LEU A 5 -13.643 28.469 -21.182 1.00 0.00 C ATOM 0 H LEU A 5 -12.822 29.980 -19.363 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.138 32.368 -19.693 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.910 30.822 -20.841 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.276 30.828 -21.475 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.532 28.913 -19.267 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.999 27.308 -20.458 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.880 28.799 -20.049 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.314 28.529 -21.714 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -13.560 27.401 -20.981 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.873 28.623 -22.236 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.699 28.958 -20.942 1.00 0.00 H new ATOM 76 N GLN A 6 -16.674 31.976 -18.768 1.00 0.00 N ATOM 77 CA GLN A 6 -17.814 32.097 -17.865 1.00 0.00 C ATOM 78 C GLN A 6 -19.082 31.557 -18.520 1.00 0.00 C ATOM 79 O GLN A 6 -19.108 30.427 -19.006 1.00 0.00 O ATOM 80 CB GLN A 6 -18.019 33.562 -17.472 1.00 0.00 C ATOM 81 CG GLN A 6 -16.855 34.023 -16.590 1.00 0.00 C ATOM 82 CD GLN A 6 -15.934 34.947 -17.380 1.00 0.00 C ATOM 83 OE1 GLN A 6 -14.780 34.604 -17.634 1.00 0.00 O ATOM 84 NE2 GLN A 6 -16.377 36.108 -17.782 1.00 0.00 N ATOM 0 H GLN A 6 -16.835 32.334 -19.710 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.606 31.509 -16.971 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -18.081 34.184 -18.365 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -18.962 33.678 -16.938 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -17.238 34.542 -15.711 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.296 33.159 -16.231 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.334 36.390 -17.570 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.766 36.733 -18.308 1.00 0.00 H new ATOM 93 N GLN A 7 -20.134 32.371 -18.526 1.00 0.00 N ATOM 94 CA GLN A 7 -21.402 31.961 -19.118 1.00 0.00 C ATOM 95 C GLN A 7 -22.108 30.963 -18.211 1.00 0.00 C ATOM 96 O GLN A 7 -23.315 30.751 -18.316 1.00 0.00 O ATOM 97 CB GLN A 7 -21.165 31.336 -20.495 1.00 0.00 C ATOM 98 CG GLN A 7 -22.389 31.574 -21.381 1.00 0.00 C ATOM 99 CD GLN A 7 -22.333 30.667 -22.605 1.00 0.00 C ATOM 100 OE1 GLN A 7 -23.256 29.888 -22.845 1.00 0.00 O ATOM 101 NE2 GLN A 7 -21.298 30.721 -23.397 1.00 0.00 N ATOM 0 H GLN A 7 -20.134 33.311 -18.131 1.00 0.00 H new ATOM 0 HA GLN A 7 -22.033 32.842 -19.233 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -20.279 31.772 -20.956 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -20.979 30.267 -20.394 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -23.300 31.379 -20.816 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -22.424 32.618 -21.693 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -20.535 31.367 -23.196 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -21.252 30.117 -24.218 1.00 0.00 H new ATOM 110 N ASP A 8 -21.340 30.359 -17.317 1.00 0.00 N ATOM 111 CA ASP A 8 -21.888 29.388 -16.378 1.00 0.00 C ATOM 112 C ASP A 8 -21.876 29.953 -14.966 1.00 0.00 C ATOM 113 O ASP A 8 -22.603 29.489 -14.087 1.00 0.00 O ATOM 114 CB ASP A 8 -21.074 28.096 -16.425 1.00 0.00 C ATOM 115 CG ASP A 8 -21.774 27.071 -17.311 1.00 0.00 C ATOM 116 OD1 ASP A 8 -21.903 27.332 -18.495 1.00 0.00 O ATOM 117 OD2 ASP A 8 -22.171 26.042 -16.791 1.00 0.00 O ATOM 0 H ASP A 8 -20.338 30.522 -17.221 1.00 0.00 H new ATOM 0 HA ASP A 8 -22.918 29.172 -16.663 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -20.075 28.300 -16.810 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -20.952 27.696 -15.418 1.00 0.00 H new ATOM 122 N ASP A 9 -21.041 30.961 -14.763 1.00 0.00 N ATOM 123 CA ASP A 9 -20.923 31.602 -13.460 1.00 0.00 C ATOM 124 C ASP A 9 -22.299 31.824 -12.850 1.00 0.00 C ATOM 125 O ASP A 9 -22.439 31.992 -11.639 1.00 0.00 O ATOM 126 CB ASP A 9 -20.202 32.944 -13.602 1.00 0.00 C ATOM 127 CG ASP A 9 -18.695 32.748 -13.471 1.00 0.00 C ATOM 128 OD1 ASP A 9 -18.286 31.652 -13.125 1.00 0.00 O ATOM 129 OD2 ASP A 9 -17.970 33.699 -13.716 1.00 0.00 O ATOM 0 H ASP A 9 -20.435 31.353 -15.483 1.00 0.00 H new ATOM 0 HA ASP A 9 -20.347 30.949 -12.804 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -20.435 33.390 -14.569 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -20.554 33.637 -12.838 1.00 0.00 H new ATOM 134 N ALA A 10 -23.308 31.822 -13.704 1.00 0.00 N ATOM 135 CA ALA A 10 -24.681 32.022 -13.255 1.00 0.00 C ATOM 136 C ALA A 10 -25.068 30.956 -12.236 1.00 0.00 C ATOM 137 O ALA A 10 -26.127 31.032 -11.614 1.00 0.00 O ATOM 138 CB ALA A 10 -25.636 31.963 -14.449 1.00 0.00 C ATOM 0 H ALA A 10 -23.206 31.685 -14.710 1.00 0.00 H new ATOM 0 HA ALA A 10 -24.752 33.003 -12.784 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -26.659 32.113 -14.104 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -25.375 32.744 -15.163 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -25.555 30.989 -14.932 1.00 0.00 H new ATOM 144 N ALA A 11 -24.199 29.966 -12.074 1.00 0.00 N ATOM 145 CA ALA A 11 -24.452 28.886 -11.128 1.00 0.00 C ATOM 146 C ALA A 11 -24.007 29.290 -9.726 1.00 0.00 C ATOM 147 O ALA A 11 -23.555 30.415 -9.510 1.00 0.00 O ATOM 148 CB ALA A 11 -23.702 27.625 -11.563 1.00 0.00 C ATOM 0 H ALA A 11 -23.318 29.888 -12.582 1.00 0.00 H new ATOM 0 HA ALA A 11 -25.523 28.682 -11.112 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -23.896 26.823 -10.851 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -24.043 27.322 -12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -22.632 27.831 -11.595 1.00 0.00 H new ATOM 154 N GLY A 12 -24.139 28.370 -8.778 1.00 0.00 N ATOM 155 CA GLY A 12 -23.748 28.648 -7.402 1.00 0.00 C ATOM 156 C GLY A 12 -24.955 28.596 -6.474 1.00 0.00 C ATOM 157 O GLY A 12 -26.099 28.614 -6.927 1.00 0.00 O ATOM 0 H GLY A 12 -24.510 27.433 -8.935 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -23.003 27.922 -7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -23.281 29.631 -7.344 1.00 0.00 H new ATOM 161 N ALA A 13 -24.693 28.532 -5.172 1.00 0.00 N ATOM 162 CA ALA A 13 -25.768 28.476 -4.187 1.00 0.00 C ATOM 163 C ALA A 13 -25.437 29.348 -2.980 1.00 0.00 C ATOM 164 O ALA A 13 -24.316 29.836 -2.842 1.00 0.00 O ATOM 165 CB ALA A 13 -25.982 27.031 -3.733 1.00 0.00 C ATOM 0 H ALA A 13 -23.753 28.518 -4.777 1.00 0.00 H new ATOM 0 HA ALA A 13 -26.681 28.851 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.786 26.996 -2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -26.249 26.415 -4.592 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.064 26.651 -3.285 1.00 0.00 H new ATOM 171 N ALA A 14 -26.421 29.538 -2.107 1.00 0.00 N ATOM 172 CA ALA A 14 -26.224 30.351 -0.912 1.00 0.00 C ATOM 173 C ALA A 14 -25.681 29.500 0.232 1.00 0.00 C ATOM 174 O ALA A 14 -25.900 29.804 1.405 1.00 0.00 O ATOM 175 CB ALA A 14 -27.548 30.993 -0.492 1.00 0.00 C ATOM 0 H ALA A 14 -27.357 29.143 -2.203 1.00 0.00 H new ATOM 0 HA ALA A 14 -25.500 31.133 -1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -27.392 31.598 0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -27.918 31.626 -1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -28.279 30.213 -0.278 1.00 0.00 H new ATOM 181 N ASP A 15 -24.971 28.433 -0.120 1.00 0.00 N ATOM 182 CA ASP A 15 -24.396 27.540 0.881 1.00 0.00 C ATOM 183 C ASP A 15 -25.393 27.269 2.001 1.00 0.00 C ATOM 184 O ASP A 15 -26.488 26.759 1.764 1.00 0.00 O ATOM 185 CB ASP A 15 -23.123 28.156 1.465 1.00 0.00 C ATOM 186 CG ASP A 15 -22.408 27.137 2.345 1.00 0.00 C ATOM 187 OD1 ASP A 15 -22.841 26.947 3.470 1.00 0.00 O ATOM 188 OD2 ASP A 15 -21.439 26.559 1.881 1.00 0.00 O ATOM 0 H ASP A 15 -24.780 28.166 -1.086 1.00 0.00 H new ATOM 0 HA ASP A 15 -24.152 26.596 0.395 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -22.463 28.480 0.660 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -23.372 29.042 2.049 1.00 0.00 H new ATOM 193 N GLY A 16 -25.008 27.615 3.226 1.00 0.00 N ATOM 194 CA GLY A 16 -25.876 27.402 4.379 1.00 0.00 C ATOM 195 C GLY A 16 -25.537 26.091 5.081 1.00 0.00 C ATOM 196 O GLY A 16 -24.380 25.836 5.414 1.00 0.00 O ATOM 0 H GLY A 16 -24.107 28.041 3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -25.769 28.232 5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -26.917 27.388 4.058 1.00 0.00 H new ATOM 200 N HIS A 17 -26.555 25.264 5.302 1.00 0.00 N ATOM 201 CA HIS A 17 -26.352 23.980 5.966 1.00 0.00 C ATOM 202 C HIS A 17 -26.611 22.830 4.998 1.00 0.00 C ATOM 203 O HIS A 17 -27.760 22.476 4.734 1.00 0.00 O ATOM 204 CB HIS A 17 -27.294 23.857 7.167 1.00 0.00 C ATOM 205 CG HIS A 17 -27.116 25.046 8.069 1.00 0.00 C ATOM 206 ND1 HIS A 17 -26.992 26.337 7.576 1.00 0.00 N ATOM 207 CD2 HIS A 17 -27.043 25.159 9.435 1.00 0.00 C ATOM 208 CE1 HIS A 17 -26.853 27.162 8.630 1.00 0.00 C ATOM 209 NE2 HIS A 17 -26.876 26.495 9.788 1.00 0.00 N ATOM 0 H HIS A 17 -27.520 25.457 5.034 1.00 0.00 H new ATOM 0 HA HIS A 17 -25.318 23.929 6.307 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -28.328 23.797 6.827 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -27.085 22.938 7.714 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -27.106 24.336 10.131 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -26.737 28.233 8.550 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -26.790 26.882 10.728 1.00 0.00 H new ATOM 217 N GLY A 18 -25.537 22.248 4.474 1.00 0.00 N ATOM 218 CA GLY A 18 -25.664 21.137 3.538 1.00 0.00 C ATOM 219 C GLY A 18 -25.710 19.805 4.278 1.00 0.00 C ATOM 220 O GLY A 18 -25.785 19.769 5.506 1.00 0.00 O ATOM 0 H GLY A 18 -24.577 22.524 4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -26.569 21.259 2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -24.824 21.143 2.844 1.00 0.00 H new ATOM 224 N SER A 19 -25.665 18.713 3.522 1.00 0.00 N ATOM 225 CA SER A 19 -25.700 17.381 4.115 1.00 0.00 C ATOM 226 C SER A 19 -24.542 16.532 3.599 1.00 0.00 C ATOM 227 O SER A 19 -24.490 15.326 3.839 1.00 0.00 O ATOM 228 CB SER A 19 -27.025 16.695 3.783 1.00 0.00 C ATOM 229 OG SER A 19 -26.801 15.690 2.803 1.00 0.00 O ATOM 0 H SER A 19 -25.605 18.723 2.504 1.00 0.00 H new ATOM 0 HA SER A 19 -25.606 17.484 5.196 1.00 0.00 H new ATOM 0 HB2 SER A 19 -27.454 16.253 4.682 1.00 0.00 H new ATOM 0 HB3 SER A 19 -27.744 17.426 3.413 1.00 0.00 H new ATOM 0 HG SER A 19 -27.649 15.247 2.589 1.00 0.00 H new ATOM 235 N SER A 20 -23.616 17.171 2.891 1.00 0.00 N ATOM 236 CA SER A 20 -22.461 16.464 2.346 1.00 0.00 C ATOM 237 C SER A 20 -21.181 16.931 3.033 1.00 0.00 C ATOM 238 O SER A 20 -21.207 17.846 3.856 1.00 0.00 O ATOM 239 CB SER A 20 -22.356 16.715 0.843 1.00 0.00 C ATOM 240 OG SER A 20 -21.936 18.055 0.620 1.00 0.00 O ATOM 0 H SER A 20 -23.641 18.169 2.682 1.00 0.00 H new ATOM 0 HA SER A 20 -22.591 15.397 2.525 1.00 0.00 H new ATOM 0 HB2 SER A 20 -21.646 16.020 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 20 -23.320 16.539 0.365 1.00 0.00 H new ATOM 0 HG SER A 20 -21.866 18.220 -0.343 1.00 0.00 H new ATOM 246 N CYS A 21 -20.061 16.300 2.691 1.00 0.00 N ATOM 247 CA CYS A 21 -18.782 16.670 3.286 1.00 0.00 C ATOM 248 C CYS A 21 -17.698 16.776 2.216 1.00 0.00 C ATOM 249 O CYS A 21 -17.147 15.768 1.773 1.00 0.00 O ATOM 250 CB CYS A 21 -18.373 15.629 4.329 1.00 0.00 C ATOM 251 SG CYS A 21 -19.326 15.887 5.846 1.00 0.00 S ATOM 0 H CYS A 21 -20.013 15.539 2.013 1.00 0.00 H new ATOM 0 HA CYS A 21 -18.895 17.642 3.766 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -18.548 14.624 3.944 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.306 15.709 4.539 1.00 0.00 H new ATOM 0 HG CYS A 21 -20.319 16.689 5.603 1.00 0.00 H new ATOM 257 N GLN A 22 -17.394 18.006 1.814 1.00 0.00 N ATOM 258 CA GLN A 22 -16.370 18.243 0.802 1.00 0.00 C ATOM 259 C GLN A 22 -14.980 18.232 1.433 1.00 0.00 C ATOM 260 O GLN A 22 -13.967 18.168 0.735 1.00 0.00 O ATOM 261 CB GLN A 22 -16.609 19.596 0.127 1.00 0.00 C ATOM 262 CG GLN A 22 -17.809 19.494 -0.818 1.00 0.00 C ATOM 263 CD GLN A 22 -18.242 20.888 -1.264 1.00 0.00 C ATOM 264 OE1 GLN A 22 -18.331 21.803 -0.445 1.00 0.00 O ATOM 265 NE2 GLN A 22 -18.515 21.106 -2.522 1.00 0.00 N ATOM 0 H GLN A 22 -17.840 18.851 2.172 1.00 0.00 H new ATOM 0 HA GLN A 22 -16.429 17.447 0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.791 20.362 0.880 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -15.721 19.899 -0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -17.548 18.890 -1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -18.636 18.990 -0.317 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -18.441 20.347 -3.199 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -18.803 22.036 -2.828 1.00 0.00 H new ATOM 274 N MET A 23 -14.940 18.310 2.757 1.00 0.00 N ATOM 275 CA MET A 23 -13.669 18.327 3.471 1.00 0.00 C ATOM 276 C MET A 23 -12.963 16.984 3.383 1.00 0.00 C ATOM 277 O MET A 23 -11.752 16.899 3.566 1.00 0.00 O ATOM 278 CB MET A 23 -13.892 18.687 4.941 1.00 0.00 C ATOM 279 CG MET A 23 -15.204 18.069 5.432 1.00 0.00 C ATOM 280 SD MET A 23 -15.166 17.934 7.237 1.00 0.00 S ATOM 281 CE MET A 23 -15.738 16.222 7.349 1.00 0.00 C ATOM 0 H MET A 23 -15.765 18.362 3.354 1.00 0.00 H new ATOM 0 HA MET A 23 -13.038 19.080 2.999 1.00 0.00 H new ATOM 0 HB2 MET A 23 -13.060 18.324 5.544 1.00 0.00 H new ATOM 0 HB3 MET A 23 -13.923 19.770 5.059 1.00 0.00 H new ATOM 0 HG2 MET A 23 -16.048 18.684 5.120 1.00 0.00 H new ATOM 0 HG3 MET A 23 -15.345 17.085 4.985 1.00 0.00 H new ATOM 0 HE1 MET A 23 -15.355 15.770 8.264 1.00 0.00 H new ATOM 0 HE2 MET A 23 -16.828 16.203 7.363 1.00 0.00 H new ATOM 0 HE3 MET A 23 -15.376 15.660 6.488 1.00 0.00 H new ATOM 291 N LEU A 24 -13.719 15.937 3.109 1.00 0.00 N ATOM 292 CA LEU A 24 -13.132 14.606 3.012 1.00 0.00 C ATOM 293 C LEU A 24 -12.179 14.521 1.834 1.00 0.00 C ATOM 294 O LEU A 24 -10.965 14.375 2.010 1.00 0.00 O ATOM 295 CB LEU A 24 -14.242 13.562 2.855 1.00 0.00 C ATOM 296 CG LEU A 24 -15.060 13.494 4.146 1.00 0.00 C ATOM 297 CD1 LEU A 24 -16.147 12.427 4.011 1.00 0.00 C ATOM 298 CD2 LEU A 24 -14.138 13.135 5.313 1.00 0.00 C ATOM 0 H LEU A 24 -14.726 15.976 2.951 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.571 14.409 3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.887 13.824 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.810 12.586 2.633 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.525 14.462 4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.728 12.381 4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.805 12.681 3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.684 11.458 3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.719 13.086 6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.673 12.167 5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.364 13.896 5.412 1.00 0.00 H new ATOM 310 N LEU A 25 -12.737 14.632 0.640 1.00 0.00 N ATOM 311 CA LEU A 25 -11.943 14.573 -0.583 1.00 0.00 C ATOM 312 C LEU A 25 -11.026 15.790 -0.709 1.00 0.00 C ATOM 313 O LEU A 25 -9.897 15.676 -1.202 1.00 0.00 O ATOM 314 CB LEU A 25 -12.852 14.401 -1.826 1.00 0.00 C ATOM 315 CG LEU A 25 -13.476 15.721 -2.326 1.00 0.00 C ATOM 316 CD1 LEU A 25 -14.232 16.439 -1.205 1.00 0.00 C ATOM 317 CD2 LEU A 25 -12.396 16.642 -2.908 1.00 0.00 C ATOM 0 H LEU A 25 -13.737 14.764 0.488 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.300 13.695 -0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.269 13.957 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.651 13.700 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.189 15.473 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.660 17.365 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -15.031 15.796 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.544 16.668 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.855 17.567 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.658 16.870 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.906 16.144 -3.745 1.00 0.00 H new ATOM 329 N ASN A 26 -11.493 16.947 -0.247 1.00 0.00 N ATOM 330 CA ASN A 26 -10.683 18.153 -0.315 1.00 0.00 C ATOM 331 C ASN A 26 -9.467 18.014 0.578 1.00 0.00 C ATOM 332 O ASN A 26 -8.355 18.398 0.210 1.00 0.00 O ATOM 333 CB ASN A 26 -11.508 19.361 0.126 1.00 0.00 C ATOM 334 CG ASN A 26 -10.783 20.645 -0.243 1.00 0.00 C ATOM 335 OD1 ASN A 26 -9.750 20.969 0.343 1.00 0.00 O ATOM 336 ND2 ASN A 26 -11.268 21.400 -1.188 1.00 0.00 N ATOM 0 H ASN A 26 -12.415 17.072 0.172 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.355 18.298 -1.344 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -12.488 19.337 -0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -11.676 19.324 1.202 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -10.791 22.264 -1.445 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -12.124 21.127 -1.670 1.00 0.00 H new ATOM 343 N GLN A 27 -9.687 17.459 1.750 1.00 0.00 N ATOM 344 CA GLN A 27 -8.606 17.269 2.700 1.00 0.00 C ATOM 345 C GLN A 27 -7.537 16.351 2.120 1.00 0.00 C ATOM 346 O GLN A 27 -6.365 16.719 2.064 1.00 0.00 O ATOM 347 CB GLN A 27 -9.132 16.677 4.005 1.00 0.00 C ATOM 348 CG GLN A 27 -9.839 17.763 4.818 1.00 0.00 C ATOM 349 CD GLN A 27 -8.846 18.450 5.748 1.00 0.00 C ATOM 350 OE1 GLN A 27 -8.152 17.784 6.519 1.00 0.00 O ATOM 351 NE2 GLN A 27 -8.735 19.750 5.724 1.00 0.00 N ATOM 0 H GLN A 27 -10.599 17.132 2.069 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.166 18.245 2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.823 15.861 3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.309 16.256 4.582 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.288 18.496 4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.650 17.324 5.399 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.310 20.299 5.085 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.073 20.217 6.344 1.00 0.00 H new ATOM 360 N LEU A 28 -7.930 15.150 1.695 1.00 0.00 N ATOM 361 CA LEU A 28 -6.940 14.223 1.141 1.00 0.00 C ATOM 362 C LEU A 28 -6.135 14.896 0.036 1.00 0.00 C ATOM 363 O LEU A 28 -4.904 14.920 0.076 1.00 0.00 O ATOM 364 CB LEU A 28 -7.587 12.957 0.566 1.00 0.00 C ATOM 365 CG LEU A 28 -9.045 12.879 0.968 1.00 0.00 C ATOM 366 CD1 LEU A 28 -9.686 11.661 0.302 1.00 0.00 C ATOM 367 CD2 LEU A 28 -9.140 12.741 2.487 1.00 0.00 C ATOM 0 H LEU A 28 -8.889 14.804 1.720 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.288 13.938 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.503 12.959 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.057 12.075 0.925 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.566 13.783 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.736 11.600 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.610 11.757 -0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.169 10.757 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.188 12.684 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.624 11.834 2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.676 13.606 2.961 1.00 0.00 H new ATOM 379 N ARG A 29 -6.838 15.428 -0.963 1.00 0.00 N ATOM 380 CA ARG A 29 -6.172 16.080 -2.087 1.00 0.00 C ATOM 381 C ARG A 29 -5.395 17.315 -1.633 1.00 0.00 C ATOM 382 O ARG A 29 -4.477 17.762 -2.322 1.00 0.00 O ATOM 383 CB ARG A 29 -7.208 16.464 -3.148 1.00 0.00 C ATOM 384 CG ARG A 29 -7.683 17.904 -2.919 1.00 0.00 C ATOM 385 CD ARG A 29 -6.744 18.899 -3.612 1.00 0.00 C ATOM 386 NE ARG A 29 -7.517 19.992 -4.186 1.00 0.00 N ATOM 387 CZ ARG A 29 -8.411 19.768 -5.143 1.00 0.00 C ATOM 388 NH1 ARG A 29 -8.596 18.555 -5.589 1.00 0.00 N ATOM 389 NH2 ARG A 29 -9.103 20.757 -5.639 1.00 0.00 N ATOM 0 H ARG A 29 -7.857 15.421 -1.017 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.457 15.378 -2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.774 16.369 -4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.056 15.781 -3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.696 18.024 -3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.720 18.115 -1.850 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.021 19.290 -2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.177 18.393 -4.393 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.370 20.943 -3.848 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.055 17.782 -5.203 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.282 18.381 -6.324 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.958 21.705 -5.292 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.789 20.582 -6.374 1.00 0.00 H new ATOM 403 N GLU A 30 -5.763 17.870 -0.481 1.00 0.00 N ATOM 404 CA GLU A 30 -5.081 19.059 0.029 1.00 0.00 C ATOM 405 C GLU A 30 -3.861 18.686 0.871 1.00 0.00 C ATOM 406 O GLU A 30 -2.969 19.508 1.081 1.00 0.00 O ATOM 407 CB GLU A 30 -6.044 19.896 0.873 1.00 0.00 C ATOM 408 CG GLU A 30 -5.375 21.225 1.236 1.00 0.00 C ATOM 409 CD GLU A 30 -6.434 22.266 1.577 1.00 0.00 C ATOM 410 OE1 GLU A 30 -7.422 21.899 2.193 1.00 0.00 O ATOM 411 OE2 GLU A 30 -6.244 23.417 1.216 1.00 0.00 O ATOM 0 H GLU A 30 -6.518 17.523 0.110 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.742 19.639 -0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.966 20.079 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.317 19.354 1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.705 21.084 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.765 21.574 0.403 1.00 0.00 H new ATOM 418 N ILE A 31 -3.829 17.451 1.362 1.00 0.00 N ATOM 419 CA ILE A 31 -2.712 16.996 2.190 1.00 0.00 C ATOM 420 C ILE A 31 -1.702 16.223 1.366 1.00 0.00 C ATOM 421 O ILE A 31 -0.506 16.515 1.374 1.00 0.00 O ATOM 422 CB ILE A 31 -3.228 16.090 3.307 1.00 0.00 C ATOM 423 CG1 ILE A 31 -4.172 16.880 4.206 1.00 0.00 C ATOM 424 CG2 ILE A 31 -2.051 15.573 4.135 1.00 0.00 C ATOM 425 CD1 ILE A 31 -4.819 15.939 5.225 1.00 0.00 C ATOM 0 H ILE A 31 -4.555 16.752 1.204 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.228 17.877 2.611 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.761 15.246 2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.624 17.669 4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.941 17.366 3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.422 14.927 4.931 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.376 15.007 3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.515 16.416 4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.493 16.506 5.867 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.381 15.166 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.044 15.474 5.834 1.00 0.00 H new ATOM 437 N THR A 32 -2.206 15.226 0.677 1.00 0.00 N ATOM 438 CA THR A 32 -1.377 14.365 -0.151 1.00 0.00 C ATOM 439 C THR A 32 -1.024 15.049 -1.465 1.00 0.00 C ATOM 440 O THR A 32 0.077 14.880 -1.988 1.00 0.00 O ATOM 441 CB THR A 32 -2.134 13.072 -0.442 1.00 0.00 C ATOM 442 OG1 THR A 32 -3.014 13.289 -1.535 1.00 0.00 O ATOM 443 CG2 THR A 32 -2.945 12.656 0.787 1.00 0.00 C ATOM 0 H THR A 32 -3.197 14.985 0.671 1.00 0.00 H new ATOM 0 HA THR A 32 -0.453 14.150 0.385 1.00 0.00 H new ATOM 0 HB THR A 32 -1.424 12.281 -0.685 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.771 13.837 -1.241 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.483 11.733 0.572 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.272 12.497 1.630 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.658 13.442 1.035 1.00 0.00 H new ATOM 451 N GLY A 33 -1.972 15.807 -2.000 1.00 0.00 N ATOM 452 CA GLY A 33 -1.755 16.499 -3.267 1.00 0.00 C ATOM 453 C GLY A 33 -1.808 15.504 -4.413 1.00 0.00 C ATOM 454 O GLY A 33 -1.060 15.607 -5.386 1.00 0.00 O ATOM 0 H GLY A 33 -2.890 15.959 -1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.514 17.268 -3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.789 17.003 -3.256 1.00 0.00 H new ATOM 458 N ILE A 34 -2.683 14.521 -4.267 1.00 0.00 N ATOM 459 CA ILE A 34 -2.828 13.475 -5.264 1.00 0.00 C ATOM 460 C ILE A 34 -3.911 13.813 -6.281 1.00 0.00 C ATOM 461 O ILE A 34 -4.828 14.585 -6.001 1.00 0.00 O ATOM 462 CB ILE A 34 -3.169 12.172 -4.554 1.00 0.00 C ATOM 463 CG1 ILE A 34 -2.077 11.904 -3.497 1.00 0.00 C ATOM 464 CG2 ILE A 34 -3.279 11.041 -5.586 1.00 0.00 C ATOM 465 CD1 ILE A 34 -1.002 10.962 -4.028 1.00 0.00 C ATOM 0 H ILE A 34 -3.305 14.427 -3.464 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.889 13.378 -5.810 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.132 12.233 -4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.620 12.847 -3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.531 11.473 -2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.523 10.108 -5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.063 11.279 -6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.329 10.932 -6.109 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.250 10.796 -3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.456 10.010 -4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.530 11.406 -4.905 1.00 0.00 H new ATOM 477 N GLN A 35 -3.791 13.222 -7.465 1.00 0.00 N ATOM 478 CA GLN A 35 -4.752 13.452 -8.533 1.00 0.00 C ATOM 479 C GLN A 35 -5.437 12.144 -8.924 1.00 0.00 C ATOM 480 O GLN A 35 -5.938 12.007 -10.040 1.00 0.00 O ATOM 481 CB GLN A 35 -4.037 14.040 -9.752 1.00 0.00 C ATOM 482 CG GLN A 35 -2.635 14.504 -9.346 1.00 0.00 C ATOM 483 CD GLN A 35 -1.957 15.203 -10.520 1.00 0.00 C ATOM 484 OE1 GLN A 35 -2.168 16.395 -10.738 1.00 0.00 O ATOM 485 NE2 GLN A 35 -1.148 14.529 -11.291 1.00 0.00 N ATOM 0 H GLN A 35 -3.036 12.580 -7.708 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.508 14.153 -8.179 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.970 13.293 -10.543 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.607 14.878 -10.153 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.700 15.183 -8.496 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.038 13.650 -9.027 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.975 13.541 -11.108 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.689 14.991 -12.076 1.00 0.00 H new ATOM 494 N ASP A 36 -5.449 11.182 -8.003 1.00 0.00 N ATOM 495 CA ASP A 36 -6.068 9.890 -8.276 1.00 0.00 C ATOM 496 C ASP A 36 -7.112 9.551 -7.219 1.00 0.00 C ATOM 497 O ASP A 36 -6.874 8.718 -6.344 1.00 0.00 O ATOM 498 CB ASP A 36 -4.999 8.795 -8.298 1.00 0.00 C ATOM 499 CG ASP A 36 -4.273 8.800 -9.639 1.00 0.00 C ATOM 500 OD1 ASP A 36 -4.772 8.176 -10.561 1.00 0.00 O ATOM 501 OD2 ASP A 36 -3.232 9.428 -9.723 1.00 0.00 O ATOM 0 H ASP A 36 -5.042 11.272 -7.072 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.559 9.948 -9.247 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.286 8.955 -7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.460 7.822 -8.129 1.00 0.00 H new ATOM 506 N PRO A 37 -8.260 10.168 -7.286 1.00 0.00 N ATOM 507 CA PRO A 37 -9.362 9.916 -6.321 1.00 0.00 C ATOM 508 C PRO A 37 -9.469 8.442 -5.968 1.00 0.00 C ATOM 509 O PRO A 37 -10.044 8.064 -4.947 1.00 0.00 O ATOM 510 CB PRO A 37 -10.589 10.379 -7.085 1.00 0.00 C ATOM 511 CG PRO A 37 -10.105 11.486 -7.965 1.00 0.00 C ATOM 512 CD PRO A 37 -8.641 11.175 -8.293 1.00 0.00 C ATOM 0 HA PRO A 37 -9.220 10.428 -5.369 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.017 9.567 -7.673 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.368 10.727 -6.406 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.702 11.547 -8.875 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.193 12.449 -7.461 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.532 10.788 -9.306 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.017 12.066 -8.223 1.00 0.00 H new ATOM 520 N SER A 38 -8.914 7.628 -6.843 1.00 0.00 N ATOM 521 CA SER A 38 -8.934 6.177 -6.670 1.00 0.00 C ATOM 522 C SER A 38 -7.968 5.726 -5.577 1.00 0.00 C ATOM 523 O SER A 38 -8.368 5.036 -4.634 1.00 0.00 O ATOM 524 CB SER A 38 -8.557 5.498 -7.987 1.00 0.00 C ATOM 525 OG SER A 38 -8.718 6.423 -9.055 1.00 0.00 O ATOM 0 H SER A 38 -8.439 7.943 -7.689 1.00 0.00 H new ATOM 0 HA SER A 38 -9.943 5.891 -6.372 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.526 5.147 -7.947 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.185 4.622 -8.151 1.00 0.00 H new ATOM 0 HG SER A 38 -7.863 6.868 -9.234 1.00 0.00 H new ATOM 531 N PHE A 39 -6.699 6.123 -5.682 1.00 0.00 N ATOM 532 CA PHE A 39 -5.734 5.734 -4.668 1.00 0.00 C ATOM 533 C PHE A 39 -6.051 6.504 -3.385 1.00 0.00 C ATOM 534 O PHE A 39 -5.777 6.037 -2.272 1.00 0.00 O ATOM 535 CB PHE A 39 -4.293 5.981 -5.172 1.00 0.00 C ATOM 536 CG PHE A 39 -3.569 6.911 -4.254 1.00 0.00 C ATOM 537 CD1 PHE A 39 -4.072 8.183 -4.071 1.00 0.00 C ATOM 538 CD2 PHE A 39 -2.402 6.510 -3.596 1.00 0.00 C ATOM 539 CE1 PHE A 39 -3.429 9.072 -3.226 1.00 0.00 C ATOM 540 CE2 PHE A 39 -1.745 7.405 -2.744 1.00 0.00 C ATOM 541 CZ PHE A 39 -2.266 8.691 -2.557 1.00 0.00 C ATOM 0 H PHE A 39 -6.328 6.698 -6.439 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.803 4.667 -4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.757 5.034 -5.237 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.320 6.401 -6.177 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.970 8.486 -4.589 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.010 5.515 -3.745 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.830 10.065 -3.084 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.841 7.105 -2.234 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.769 9.386 -1.897 1.00 0.00 H new ATOM 551 N LEU A 40 -6.690 7.668 -3.550 1.00 0.00 N ATOM 552 CA LEU A 40 -7.098 8.468 -2.404 1.00 0.00 C ATOM 553 C LEU A 40 -8.136 7.673 -1.631 1.00 0.00 C ATOM 554 O LEU A 40 -7.990 7.415 -0.436 1.00 0.00 O ATOM 555 CB LEU A 40 -7.726 9.798 -2.851 1.00 0.00 C ATOM 556 CG LEU A 40 -6.636 10.753 -3.357 1.00 0.00 C ATOM 557 CD1 LEU A 40 -7.205 11.674 -4.437 1.00 0.00 C ATOM 558 CD2 LEU A 40 -6.107 11.605 -2.201 1.00 0.00 C ATOM 0 H LEU A 40 -6.931 8.068 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.224 8.692 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.456 9.617 -3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.262 10.254 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.823 10.160 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.424 12.348 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.571 11.075 -5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.027 12.257 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.334 12.279 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.924 12.188 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.686 10.956 -1.434 1.00 0.00 H new ATOM 570 N HIS A 41 -9.182 7.269 -2.350 1.00 0.00 N ATOM 571 CA HIS A 41 -10.253 6.481 -1.766 1.00 0.00 C ATOM 572 C HIS A 41 -9.693 5.198 -1.171 1.00 0.00 C ATOM 573 O HIS A 41 -10.218 4.679 -0.186 1.00 0.00 O ATOM 574 CB HIS A 41 -11.292 6.142 -2.835 1.00 0.00 C ATOM 575 CG HIS A 41 -12.186 5.038 -2.341 1.00 0.00 C ATOM 576 ND1 HIS A 41 -12.742 4.788 -1.110 1.00 0.00 N flip ATOM 577 CD2 HIS A 41 -12.613 4.010 -3.166 1.00 0.00 C flip ATOM 578 CE1 HIS A 41 -13.503 3.623 -1.169 1.00 0.00 C flip ATOM 579 NE2 HIS A 41 -13.392 3.196 -2.429 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.306 7.478 -3.341 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.727 7.063 -0.975 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.885 7.025 -3.072 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.795 5.836 -3.755 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.366 3.885 -4.210 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.063 3.164 -0.368 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -13.843 2.355 -2.790 1.00 0.00 H new ATOM 587 N GLU A 42 -8.612 4.693 -1.764 1.00 0.00 N ATOM 588 CA GLU A 42 -7.992 3.477 -1.258 1.00 0.00 C ATOM 589 C GLU A 42 -7.478 3.727 0.150 1.00 0.00 C ATOM 590 O GLU A 42 -7.672 2.915 1.056 1.00 0.00 O ATOM 591 CB GLU A 42 -6.836 3.050 -2.166 1.00 0.00 C ATOM 592 CG GLU A 42 -6.146 1.822 -1.567 1.00 0.00 C ATOM 593 CD GLU A 42 -5.003 1.372 -2.469 1.00 0.00 C ATOM 594 OE1 GLU A 42 -5.282 0.733 -3.471 1.00 0.00 O ATOM 595 OE2 GLU A 42 -3.865 1.668 -2.144 1.00 0.00 O ATOM 0 H GLU A 42 -8.157 5.101 -2.581 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.733 2.677 -1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.209 2.821 -3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.122 3.866 -2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.764 2.058 -0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.866 1.012 -1.448 1.00 0.00 H new ATOM 602 N ALA A 43 -6.834 4.871 0.329 1.00 0.00 N ATOM 603 CA ALA A 43 -6.306 5.240 1.636 1.00 0.00 C ATOM 604 C ALA A 43 -7.446 5.462 2.622 1.00 0.00 C ATOM 605 O ALA A 43 -7.374 5.039 3.776 1.00 0.00 O ATOM 606 CB ALA A 43 -5.482 6.520 1.525 1.00 0.00 C ATOM 0 H ALA A 43 -6.665 5.556 -0.408 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.672 4.428 1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.092 6.788 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.653 6.360 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.112 7.327 1.153 1.00 0.00 H new ATOM 612 N LEU A 44 -8.495 6.133 2.158 1.00 0.00 N ATOM 613 CA LEU A 44 -9.648 6.412 3.006 1.00 0.00 C ATOM 614 C LEU A 44 -10.304 5.109 3.445 1.00 0.00 C ATOM 615 O LEU A 44 -10.872 5.020 4.534 1.00 0.00 O ATOM 616 CB LEU A 44 -10.674 7.252 2.240 1.00 0.00 C ATOM 617 CG LEU A 44 -10.387 8.744 2.428 1.00 0.00 C ATOM 618 CD1 LEU A 44 -10.613 9.139 3.889 1.00 0.00 C ATOM 619 CD2 LEU A 44 -8.939 9.039 2.033 1.00 0.00 C ATOM 0 H LEU A 44 -8.571 6.492 1.206 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.306 6.962 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.642 6.999 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.679 7.021 2.593 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.061 9.321 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.407 10.202 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.647 8.935 4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.946 8.562 4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.735 10.101 2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.265 8.458 2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.784 8.769 0.988 1.00 0.00 H new ATOM 631 N LYS A 45 -10.230 4.108 2.578 1.00 0.00 N ATOM 632 CA LYS A 45 -10.828 2.812 2.863 1.00 0.00 C ATOM 633 C LYS A 45 -9.918 1.968 3.756 1.00 0.00 C ATOM 634 O LYS A 45 -10.393 1.129 4.521 1.00 0.00 O ATOM 635 CB LYS A 45 -11.107 2.084 1.541 1.00 0.00 C ATOM 636 CG LYS A 45 -10.073 0.974 1.305 1.00 0.00 C ATOM 637 CD LYS A 45 -10.080 0.561 -0.170 1.00 0.00 C ATOM 638 CE LYS A 45 -10.987 -0.657 -0.355 1.00 0.00 C ATOM 639 NZ LYS A 45 -10.301 -1.872 0.170 1.00 0.00 N ATOM 0 H LYS A 45 -9.763 4.169 1.673 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.764 2.966 3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.109 1.656 1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.080 2.795 0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.080 1.323 1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.300 0.113 1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.432 1.387 -0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.067 0.327 -0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.930 -0.504 0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.226 -0.789 -1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.713 -2.720 -0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.287 -1.823 -0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.424 -1.921 1.202 1.00 0.00 H new ATOM 653 N ALA A 46 -8.611 2.187 3.644 1.00 0.00 N ATOM 654 CA ALA A 46 -7.650 1.427 4.440 1.00 0.00 C ATOM 655 C ALA A 46 -7.590 1.938 5.878 1.00 0.00 C ATOM 656 O ALA A 46 -7.532 1.150 6.821 1.00 0.00 O ATOM 657 CB ALA A 46 -6.261 1.526 3.807 1.00 0.00 C ATOM 0 H ALA A 46 -8.195 2.876 3.017 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.977 0.388 4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.548 0.958 4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.292 1.120 2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.952 2.571 3.770 1.00 0.00 H new ATOM 663 N SER A 47 -7.593 3.256 6.042 1.00 0.00 N ATOM 664 CA SER A 47 -7.525 3.851 7.375 1.00 0.00 C ATOM 665 C SER A 47 -8.843 3.668 8.124 1.00 0.00 C ATOM 666 O SER A 47 -9.079 4.313 9.147 1.00 0.00 O ATOM 667 CB SER A 47 -7.204 5.340 7.266 1.00 0.00 C ATOM 668 OG SER A 47 -7.627 5.816 5.997 1.00 0.00 O ATOM 0 H SER A 47 -7.641 3.929 5.277 1.00 0.00 H new ATOM 0 HA SER A 47 -6.736 3.345 7.931 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.706 5.892 8.061 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.134 5.504 7.391 1.00 0.00 H new ATOM 0 HG SER A 47 -6.999 5.514 5.308 1.00 0.00 H new ATOM 674 N ASN A 48 -9.697 2.790 7.613 1.00 0.00 N ATOM 675 CA ASN A 48 -10.986 2.537 8.248 1.00 0.00 C ATOM 676 C ASN A 48 -11.817 3.815 8.296 1.00 0.00 C ATOM 677 O ASN A 48 -12.680 3.973 9.160 1.00 0.00 O ATOM 678 CB ASN A 48 -10.777 2.012 9.670 1.00 0.00 C ATOM 679 CG ASN A 48 -10.077 0.659 9.630 1.00 0.00 C ATOM 680 OD1 ASN A 48 -9.310 0.360 8.619 1.00 0.00 O flip ATOM 681 ND2 ASN A 48 -10.235 -0.150 10.545 1.00 0.00 N flip ATOM 0 H ASN A 48 -9.524 2.245 6.768 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.518 1.789 7.660 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.181 2.722 10.244 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.738 1.919 10.177 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.835 0.085 11.335 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.766 -1.055 10.512 1.00 0.00 H new ATOM 688 N GLY A 49 -11.555 4.721 7.359 1.00 0.00 N ATOM 689 CA GLY A 49 -12.291 5.979 7.298 1.00 0.00 C ATOM 690 C GLY A 49 -11.476 7.138 7.866 1.00 0.00 C ATOM 691 O GLY A 49 -11.713 8.295 7.522 1.00 0.00 O ATOM 0 H GLY A 49 -10.844 4.609 6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.558 6.195 6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.223 5.883 7.854 1.00 0.00 H new ATOM 695 N ASP A 50 -10.510 6.831 8.728 1.00 0.00 N ATOM 696 CA ASP A 50 -9.677 7.878 9.312 1.00 0.00 C ATOM 697 C ASP A 50 -8.916 8.603 8.208 1.00 0.00 C ATOM 698 O ASP A 50 -8.261 7.971 7.380 1.00 0.00 O ATOM 699 CB ASP A 50 -8.690 7.281 10.315 1.00 0.00 C ATOM 700 CG ASP A 50 -9.260 7.365 11.727 1.00 0.00 C ATOM 701 OD1 ASP A 50 -9.493 8.471 12.186 1.00 0.00 O ATOM 702 OD2 ASP A 50 -9.453 6.322 12.330 1.00 0.00 O ATOM 0 H ASP A 50 -10.287 5.884 9.033 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.320 8.585 9.836 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.484 6.242 10.059 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.741 7.816 10.265 1.00 0.00 H new ATOM 707 N ILE A 51 -9.021 9.926 8.187 1.00 0.00 N ATOM 708 CA ILE A 51 -8.348 10.711 7.159 1.00 0.00 C ATOM 709 C ILE A 51 -6.855 10.852 7.462 1.00 0.00 C ATOM 710 O ILE A 51 -6.014 10.463 6.653 1.00 0.00 O ATOM 711 CB ILE A 51 -9.030 12.086 7.030 1.00 0.00 C ATOM 712 CG1 ILE A 51 -9.355 12.337 5.559 1.00 0.00 C ATOM 713 CG2 ILE A 51 -8.124 13.212 7.551 1.00 0.00 C ATOM 714 CD1 ILE A 51 -9.940 13.737 5.390 1.00 0.00 C ATOM 0 H ILE A 51 -9.558 10.472 8.860 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.431 10.191 6.205 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.940 12.081 7.630 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.453 12.234 4.955 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.065 11.591 5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.635 14.169 7.445 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.894 13.037 8.602 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.198 13.230 6.976 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.170 13.911 4.339 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.852 13.824 5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.216 14.477 5.730 1.00 0.00 H new ATOM 726 N THR A 52 -6.531 11.399 8.625 1.00 0.00 N ATOM 727 CA THR A 52 -5.138 11.573 9.013 1.00 0.00 C ATOM 728 C THR A 52 -4.357 10.292 8.780 1.00 0.00 C ATOM 729 O THR A 52 -3.255 10.311 8.235 1.00 0.00 O ATOM 730 CB THR A 52 -5.044 11.929 10.488 1.00 0.00 C ATOM 731 OG1 THR A 52 -5.484 13.265 10.689 1.00 0.00 O ATOM 732 CG2 THR A 52 -3.592 11.785 10.934 1.00 0.00 C ATOM 0 H THR A 52 -7.209 11.728 9.313 1.00 0.00 H new ATOM 0 HA THR A 52 -4.719 12.376 8.407 1.00 0.00 H new ATOM 0 HB THR A 52 -5.677 11.262 11.073 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.423 13.490 11.641 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.509 12.037 11.991 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.264 10.757 10.780 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.964 12.458 10.350 1.00 0.00 H new ATOM 740 N GLN A 53 -4.929 9.177 9.200 1.00 0.00 N ATOM 741 CA GLN A 53 -4.265 7.903 9.019 1.00 0.00 C ATOM 742 C GLN A 53 -4.079 7.649 7.536 1.00 0.00 C ATOM 743 O GLN A 53 -2.961 7.464 7.069 1.00 0.00 O ATOM 744 CB GLN A 53 -5.088 6.780 9.640 1.00 0.00 C ATOM 745 CG GLN A 53 -5.089 6.930 11.160 1.00 0.00 C ATOM 746 CD GLN A 53 -5.903 5.805 11.791 1.00 0.00 C ATOM 747 OE1 GLN A 53 -6.994 6.043 12.307 1.00 0.00 O ATOM 748 NE2 GLN A 53 -5.435 4.587 11.778 1.00 0.00 N ATOM 0 H GLN A 53 -5.837 9.129 9.661 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.294 7.930 9.513 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.109 6.810 9.260 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.672 5.812 9.360 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.067 6.907 11.537 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.510 7.896 11.439 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.530 4.393 11.349 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.974 3.829 12.196 1.00 0.00 H new ATOM 757 N ALA A 54 -5.188 7.686 6.799 1.00 0.00 N ATOM 758 CA ALA A 54 -5.147 7.487 5.357 1.00 0.00 C ATOM 759 C ALA A 54 -3.956 8.229 4.805 1.00 0.00 C ATOM 760 O ALA A 54 -3.047 7.654 4.200 1.00 0.00 O ATOM 761 CB ALA A 54 -6.429 8.030 4.720 1.00 0.00 C ATOM 0 H ALA A 54 -6.121 7.851 7.177 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.065 6.424 5.132 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.392 7.878 3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.291 7.504 5.131 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.518 9.095 4.933 1.00 0.00 H new ATOM 767 N VAL A 55 -3.972 9.512 5.063 1.00 0.00 N ATOM 768 CA VAL A 55 -2.902 10.383 4.651 1.00 0.00 C ATOM 769 C VAL A 55 -1.580 9.702 4.942 1.00 0.00 C ATOM 770 O VAL A 55 -0.748 9.517 4.058 1.00 0.00 O ATOM 771 CB VAL A 55 -3.015 11.693 5.430 1.00 0.00 C ATOM 772 CG1 VAL A 55 -1.699 12.457 5.366 1.00 0.00 C ATOM 773 CG2 VAL A 55 -4.146 12.535 4.837 1.00 0.00 C ATOM 0 H VAL A 55 -4.726 9.981 5.564 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.962 10.596 3.584 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.236 11.476 6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.792 13.388 5.924 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.905 11.850 5.801 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.458 12.680 4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.231 13.471 5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.930 12.750 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.085 11.985 4.908 1.00 0.00 H new ATOM 783 N SER A 56 -1.429 9.306 6.192 1.00 0.00 N ATOM 784 CA SER A 56 -0.230 8.613 6.645 1.00 0.00 C ATOM 785 C SER A 56 0.067 7.411 5.750 1.00 0.00 C ATOM 786 O SER A 56 1.209 7.187 5.354 1.00 0.00 O ATOM 787 CB SER A 56 -0.427 8.143 8.086 1.00 0.00 C ATOM 788 OG SER A 56 0.843 7.913 8.681 1.00 0.00 O ATOM 0 H SER A 56 -2.127 9.453 6.921 1.00 0.00 H new ATOM 0 HA SER A 56 0.613 9.302 6.594 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.977 8.893 8.654 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.022 7.230 8.105 1.00 0.00 H new ATOM 0 HG SER A 56 1.318 7.218 8.180 1.00 0.00 H new ATOM 794 N LEU A 57 -0.967 6.639 5.438 1.00 0.00 N ATOM 795 CA LEU A 57 -0.804 5.461 4.591 1.00 0.00 C ATOM 796 C LEU A 57 -0.204 5.838 3.250 1.00 0.00 C ATOM 797 O LEU A 57 0.534 5.064 2.640 1.00 0.00 O ATOM 798 CB LEU A 57 -2.161 4.799 4.338 1.00 0.00 C ATOM 799 CG LEU A 57 -2.951 4.711 5.637 1.00 0.00 C ATOM 800 CD1 LEU A 57 -4.249 3.945 5.394 1.00 0.00 C ATOM 801 CD2 LEU A 57 -2.116 3.994 6.698 1.00 0.00 C ATOM 0 H LEU A 57 -1.922 6.805 5.756 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.138 4.772 5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.722 5.373 3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.016 3.801 3.923 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.187 5.716 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.814 3.882 6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.843 4.465 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.018 2.940 5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.683 3.932 7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.874 2.989 6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.194 4.549 6.872 1.00 0.00 H new ATOM 813 N LEU A 58 -0.572 7.011 2.782 1.00 0.00 N ATOM 814 CA LEU A 58 -0.115 7.481 1.476 1.00 0.00 C ATOM 815 C LEU A 58 1.219 8.224 1.522 1.00 0.00 C ATOM 816 O LEU A 58 1.947 8.243 0.529 1.00 0.00 O ATOM 817 CB LEU A 58 -1.185 8.374 0.848 1.00 0.00 C ATOM 818 CG LEU A 58 -2.556 7.697 0.971 1.00 0.00 C ATOM 819 CD1 LEU A 58 -3.663 8.719 0.703 1.00 0.00 C ATOM 820 CD2 LEU A 58 -2.673 6.555 -0.047 1.00 0.00 C ATOM 0 H LEU A 58 -1.183 7.660 3.278 1.00 0.00 H new ATOM 0 HA LEU A 58 0.051 6.592 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.201 9.344 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.951 8.557 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.659 7.296 1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.635 8.234 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.594 9.529 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.549 9.123 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.650 6.081 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.560 6.953 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.892 5.818 0.141 1.00 0.00 H new ATOM 832 N THR A 59 1.544 8.836 2.646 1.00 0.00 N ATOM 833 CA THR A 59 2.809 9.570 2.744 1.00 0.00 C ATOM 834 C THR A 59 3.827 8.808 3.588 1.00 0.00 C ATOM 835 O THR A 59 4.926 9.301 3.842 1.00 0.00 O ATOM 836 CB THR A 59 2.585 10.964 3.339 1.00 0.00 C ATOM 837 OG1 THR A 59 3.767 11.388 4.002 1.00 0.00 O ATOM 838 CG2 THR A 59 1.430 10.919 4.334 1.00 0.00 C ATOM 0 H THR A 59 0.971 8.846 3.490 1.00 0.00 H new ATOM 0 HA THR A 59 3.204 9.674 1.734 1.00 0.00 H new ATOM 0 HB THR A 59 2.343 11.665 2.540 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.548 10.983 3.570 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.274 11.912 4.755 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.523 10.594 3.824 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.667 10.219 5.135 1.00 0.00 H new ATOM 846 N ASP A 60 3.457 7.608 4.021 1.00 0.00 N ATOM 847 CA ASP A 60 4.352 6.793 4.837 1.00 0.00 C ATOM 848 C ASP A 60 5.585 6.376 4.041 1.00 0.00 C ATOM 849 O ASP A 60 6.162 5.316 4.284 1.00 0.00 O ATOM 850 CB ASP A 60 3.618 5.548 5.333 1.00 0.00 C ATOM 851 CG ASP A 60 3.270 5.702 6.809 1.00 0.00 C ATOM 852 OD1 ASP A 60 4.180 5.650 7.621 1.00 0.00 O ATOM 853 OD2 ASP A 60 2.099 5.871 7.107 1.00 0.00 O ATOM 0 H ASP A 60 2.552 7.180 3.824 1.00 0.00 H new ATOM 0 HA ASP A 60 4.674 7.391 5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.709 5.395 4.751 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.242 4.666 5.188 1.00 0.00 H new ATOM 858 N GLU A 61 5.988 7.218 3.095 1.00 0.00 N ATOM 859 CA GLU A 61 7.158 6.927 2.277 1.00 0.00 C ATOM 860 C GLU A 61 6.830 5.865 1.231 1.00 0.00 C ATOM 861 O GLU A 61 7.340 4.746 1.290 1.00 0.00 O ATOM 862 CB GLU A 61 8.293 6.437 3.175 1.00 0.00 C ATOM 863 CG GLU A 61 9.639 6.676 2.489 1.00 0.00 C ATOM 864 CD GLU A 61 10.130 8.090 2.779 1.00 0.00 C ATOM 865 OE1 GLU A 61 10.653 8.305 3.862 1.00 0.00 O ATOM 866 OE2 GLU A 61 9.977 8.939 1.917 1.00 0.00 O ATOM 0 H GLU A 61 5.525 8.101 2.877 1.00 0.00 H new ATOM 0 HA GLU A 61 7.464 7.837 1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.264 6.960 4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.167 5.376 3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.370 5.949 2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.539 6.531 1.413 1.00 0.00 H new ATOM 873 N ARG A 62 5.963 6.216 0.283 1.00 0.00 N ATOM 874 CA ARG A 62 5.567 5.278 -0.755 1.00 0.00 C ATOM 875 C ARG A 62 5.605 5.917 -2.138 1.00 0.00 C ATOM 876 O ARG A 62 6.483 5.625 -2.951 1.00 0.00 O ATOM 877 CB ARG A 62 4.154 4.780 -0.468 1.00 0.00 C ATOM 878 CG ARG A 62 3.346 5.889 0.210 1.00 0.00 C ATOM 879 CD ARG A 62 3.301 5.641 1.719 1.00 0.00 C ATOM 880 NE ARG A 62 2.617 4.382 2.005 1.00 0.00 N ATOM 881 CZ ARG A 62 3.256 3.343 2.543 1.00 0.00 C ATOM 882 NH1 ARG A 62 4.524 3.424 2.841 1.00 0.00 N ATOM 883 NH2 ARG A 62 2.608 2.236 2.779 1.00 0.00 N ATOM 0 H ARG A 62 5.527 7.136 0.215 1.00 0.00 H new ATOM 0 HA ARG A 62 6.274 4.448 -0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.669 4.478 -1.396 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.191 3.899 0.173 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.797 6.860 0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.334 5.915 -0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.314 5.612 2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.786 6.464 2.215 1.00 0.00 H new ATOM 0 HE ARG A 62 1.624 4.296 1.787 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.036 4.288 2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.003 2.623 3.252 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.616 2.167 2.552 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.093 1.439 3.191 1.00 0.00 H new ATOM 897 N VAL A 63 4.632 6.770 -2.395 1.00 0.00 N ATOM 898 CA VAL A 63 4.520 7.444 -3.685 1.00 0.00 C ATOM 899 C VAL A 63 5.713 8.352 -3.947 1.00 0.00 C ATOM 900 O VAL A 63 6.733 7.921 -4.485 1.00 0.00 O ATOM 901 CB VAL A 63 3.229 8.265 -3.728 1.00 0.00 C ATOM 902 CG1 VAL A 63 3.144 9.020 -5.056 1.00 0.00 C ATOM 903 CG2 VAL A 63 2.026 7.328 -3.602 1.00 0.00 C ATOM 0 H VAL A 63 3.902 7.017 -1.727 1.00 0.00 H new ATOM 0 HA VAL A 63 4.501 6.680 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 63 3.227 8.978 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.224 9.604 -5.084 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.000 9.688 -5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.147 8.307 -5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.106 7.911 -3.632 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.032 6.616 -4.427 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.082 6.789 -2.657 1.00 0.00 H new ATOM 913 N LYS A 64 5.563 9.610 -3.576 1.00 0.00 N ATOM 914 CA LYS A 64 6.622 10.595 -3.784 1.00 0.00 C ATOM 915 C LYS A 64 7.352 10.318 -5.094 1.00 0.00 C ATOM 916 O LYS A 64 6.854 9.585 -5.947 1.00 0.00 O ATOM 917 CB LYS A 64 7.615 10.562 -2.621 1.00 0.00 C ATOM 918 CG LYS A 64 7.729 9.136 -2.081 1.00 0.00 C ATOM 919 CD LYS A 64 8.656 9.127 -0.865 1.00 0.00 C ATOM 920 CE LYS A 64 9.645 7.966 -0.984 1.00 0.00 C ATOM 921 NZ LYS A 64 10.500 8.164 -2.187 1.00 0.00 N ATOM 0 H LYS A 64 4.723 9.979 -3.130 1.00 0.00 H new ATOM 0 HA LYS A 64 6.167 11.584 -3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.591 10.914 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.286 11.236 -1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.744 8.760 -1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.118 8.473 -2.854 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.195 10.072 -0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.072 9.028 0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.265 7.909 -0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.106 7.021 -1.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.196 7.514 -2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.410 9.145 -2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.492 7.971 -1.943 1.00 0.00 H new ATOM 935 N GLU A 65 8.533 10.908 -5.251 1.00 0.00 N ATOM 936 CA GLU A 65 9.313 10.710 -6.469 1.00 0.00 C ATOM 937 C GLU A 65 10.647 11.446 -6.384 1.00 0.00 C ATOM 938 O GLU A 65 10.831 12.499 -6.995 1.00 0.00 O ATOM 939 CB GLU A 65 8.521 11.213 -7.681 1.00 0.00 C ATOM 940 CG GLU A 65 8.136 10.030 -8.572 1.00 0.00 C ATOM 941 CD GLU A 65 7.642 10.534 -9.923 1.00 0.00 C ATOM 942 OE1 GLU A 65 6.621 11.202 -9.946 1.00 0.00 O ATOM 943 OE2 GLU A 65 8.291 10.247 -10.914 1.00 0.00 O ATOM 0 H GLU A 65 8.967 11.520 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 65 9.512 9.644 -6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.625 11.738 -7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.118 11.928 -8.247 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.995 9.374 -8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.359 9.438 -8.089 1.00 0.00 H new ATOM 950 N PRO A 66 11.575 10.906 -5.643 1.00 0.00 N ATOM 951 CA PRO A 66 12.928 11.510 -5.473 1.00 0.00 C ATOM 952 C PRO A 66 13.728 11.485 -6.767 1.00 0.00 C ATOM 953 O PRO A 66 13.856 12.496 -7.458 1.00 0.00 O ATOM 954 CB PRO A 66 13.603 10.642 -4.399 1.00 0.00 C ATOM 955 CG PRO A 66 12.528 9.777 -3.820 1.00 0.00 C ATOM 956 CD PRO A 66 11.437 9.662 -4.881 1.00 0.00 C ATOM 0 HA PRO A 66 12.866 12.561 -5.190 1.00 0.00 H new ATOM 0 HB2 PRO A 66 14.398 10.036 -4.833 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.060 11.263 -3.628 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.920 8.794 -3.561 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.132 10.214 -2.903 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.581 8.785 -5.513 1.00 0.00 H new ATOM 0 HD3 PRO A 66 10.448 9.573 -4.432 1.00 0.00 H new ATOM 964 N SER A 67 14.263 10.319 -7.078 1.00 0.00 N ATOM 965 CA SER A 67 15.059 10.139 -8.286 1.00 0.00 C ATOM 966 C SER A 67 14.651 11.140 -9.361 1.00 0.00 C ATOM 967 O SER A 67 13.495 11.559 -9.428 1.00 0.00 O ATOM 968 CB SER A 67 14.879 8.719 -8.822 1.00 0.00 C ATOM 969 OG SER A 67 13.504 8.365 -8.761 1.00 0.00 O ATOM 0 H SER A 67 14.162 9.477 -6.511 1.00 0.00 H new ATOM 0 HA SER A 67 16.105 10.306 -8.031 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.237 8.658 -9.850 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.473 8.018 -8.235 1.00 0.00 H new ATOM 0 HG SER A 67 13.385 7.455 -9.106 1.00 0.00 H new ATOM 975 N GLN A 68 15.607 11.514 -10.203 1.00 0.00 N ATOM 976 CA GLN A 68 15.340 12.464 -11.276 1.00 0.00 C ATOM 977 C GLN A 68 14.580 11.787 -12.412 1.00 0.00 C ATOM 978 O GLN A 68 14.910 10.671 -12.814 1.00 0.00 O ATOM 979 CB GLN A 68 16.656 13.034 -11.807 1.00 0.00 C ATOM 980 CG GLN A 68 17.296 13.917 -10.735 1.00 0.00 C ATOM 981 CD GLN A 68 16.397 15.113 -10.442 1.00 0.00 C ATOM 982 OE1 GLN A 68 16.268 16.012 -11.273 1.00 0.00 O ATOM 983 NE2 GLN A 68 15.760 15.177 -9.304 1.00 0.00 N ATOM 0 H GLN A 68 16.569 11.176 -10.164 1.00 0.00 H new ATOM 0 HA GLN A 68 14.729 13.274 -10.877 1.00 0.00 H new ATOM 0 HB2 GLN A 68 17.333 12.224 -12.078 1.00 0.00 H new ATOM 0 HB3 GLN A 68 16.475 13.615 -12.712 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.456 13.340 -9.824 1.00 0.00 H new ATOM 0 HG3 GLN A 68 18.274 14.260 -11.071 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.868 14.431 -8.616 1.00 0.00 H new ATOM 0 HE22 GLN A 68 15.154 15.973 -9.103 1.00 0.00 H new ATOM 992 N ASP A 69 13.559 12.467 -12.923 1.00 0.00 N ATOM 993 CA ASP A 69 12.759 11.917 -14.011 1.00 0.00 C ATOM 994 C ASP A 69 13.372 12.269 -15.357 1.00 0.00 C ATOM 995 O ASP A 69 13.075 11.645 -16.376 1.00 0.00 O ATOM 996 CB ASP A 69 11.336 12.466 -13.936 1.00 0.00 C ATOM 997 CG ASP A 69 10.395 11.403 -13.378 1.00 0.00 C ATOM 998 OD1 ASP A 69 10.419 11.190 -12.177 1.00 0.00 O ATOM 999 OD2 ASP A 69 9.665 10.819 -14.161 1.00 0.00 O ATOM 0 H ASP A 69 13.268 13.391 -12.605 1.00 0.00 H new ATOM 0 HA ASP A 69 12.737 10.832 -13.910 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.313 13.353 -13.303 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.003 12.774 -14.927 1.00 0.00 H new ATOM 1004 N THR A 70 14.229 13.271 -15.343 1.00 0.00 N ATOM 1005 CA THR A 70 14.899 13.717 -16.559 1.00 0.00 C ATOM 1006 C THR A 70 16.039 12.770 -16.918 1.00 0.00 C ATOM 1007 O THR A 70 15.821 11.579 -17.141 1.00 0.00 O ATOM 1008 CB THR A 70 15.446 15.134 -16.361 1.00 0.00 C ATOM 1009 OG1 THR A 70 16.334 15.451 -17.424 1.00 0.00 O ATOM 1010 CG2 THR A 70 16.193 15.213 -15.029 1.00 0.00 C ATOM 0 H THR A 70 14.481 13.795 -14.505 1.00 0.00 H new ATOM 0 HA THR A 70 14.176 13.719 -17.375 1.00 0.00 H new ATOM 0 HB THR A 70 14.620 15.845 -16.354 1.00 0.00 H new ATOM 0 HG1 THR A 70 16.683 16.358 -17.299 1.00 0.00 H new ATOM 0 HG21 THR A 70 16.582 16.222 -14.889 1.00 0.00 H new ATOM 0 HG22 THR A 70 15.511 14.971 -14.214 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.020 14.503 -15.033 1.00 0.00 H new ATOM 1018 N VAL A 71 17.255 13.305 -16.968 1.00 0.00 N ATOM 1019 CA VAL A 71 18.420 12.492 -17.295 1.00 0.00 C ATOM 1020 C VAL A 71 18.720 11.516 -16.164 1.00 0.00 C ATOM 1021 O VAL A 71 17.810 10.928 -15.580 1.00 0.00 O ATOM 1022 CB VAL A 71 19.636 13.389 -17.531 1.00 0.00 C ATOM 1023 CG1 VAL A 71 19.291 14.450 -18.577 1.00 0.00 C ATOM 1024 CG2 VAL A 71 20.025 14.076 -16.219 1.00 0.00 C ATOM 0 H VAL A 71 17.458 14.288 -16.788 1.00 0.00 H new ATOM 0 HA VAL A 71 18.204 11.929 -18.203 1.00 0.00 H new ATOM 0 HB VAL A 71 20.470 12.784 -17.887 1.00 0.00 H new ATOM 0 HG11 VAL A 71 20.157 15.090 -18.746 1.00 0.00 H new ATOM 0 HG12 VAL A 71 19.012 13.963 -19.511 1.00 0.00 H new ATOM 0 HG13 VAL A 71 18.457 15.055 -18.220 1.00 0.00 H new ATOM 0 HG21 VAL A 71 20.892 14.716 -16.386 1.00 0.00 H new ATOM 0 HG22 VAL A 71 19.191 14.681 -15.864 1.00 0.00 H new ATOM 0 HG23 VAL A 71 20.270 13.321 -15.472 1.00 0.00 H new ATOM 1034 N ALA A 72 20.001 11.353 -15.856 1.00 0.00 N ATOM 1035 CA ALA A 72 20.409 10.450 -14.787 1.00 0.00 C ATOM 1036 C ALA A 72 21.522 11.073 -13.960 1.00 0.00 C ATOM 1037 O ALA A 72 21.560 10.927 -12.739 1.00 0.00 O ATOM 1038 CB ALA A 72 20.882 9.118 -15.374 1.00 0.00 C ATOM 0 H ALA A 72 20.770 11.830 -16.327 1.00 0.00 H new ATOM 0 HA ALA A 72 19.550 10.271 -14.141 1.00 0.00 H new ATOM 0 HB1 ALA A 72 21.184 8.451 -14.566 1.00 0.00 H new ATOM 0 HB2 ALA A 72 20.069 8.660 -15.938 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.730 9.293 -16.037 1.00 0.00 H new ATOM 1044 N THR A 73 22.414 11.771 -14.648 1.00 0.00 N ATOM 1045 CA THR A 73 23.546 12.441 -14.007 1.00 0.00 C ATOM 1046 C THR A 73 23.698 12.004 -12.552 1.00 0.00 C ATOM 1047 O THR A 73 23.903 10.825 -12.267 1.00 0.00 O ATOM 1048 CB THR A 73 23.356 13.958 -14.072 1.00 0.00 C ATOM 1049 OG1 THR A 73 23.046 14.335 -15.407 1.00 0.00 O ATOM 1050 CG2 THR A 73 24.643 14.654 -13.630 1.00 0.00 C ATOM 0 H THR A 73 22.378 11.891 -15.660 1.00 0.00 H new ATOM 0 HA THR A 73 24.452 12.160 -14.543 1.00 0.00 H new ATOM 0 HB THR A 73 22.541 14.253 -13.410 1.00 0.00 H new ATOM 0 HG1 THR A 73 22.922 15.306 -15.452 1.00 0.00 H new ATOM 0 HG21 THR A 73 24.507 15.734 -13.677 1.00 0.00 H new ATOM 0 HG22 THR A 73 24.882 14.362 -12.607 1.00 0.00 H new ATOM 0 HG23 THR A 73 25.460 14.362 -14.290 1.00 0.00 H new ATOM 1058 N GLU A 74 23.596 12.961 -11.633 1.00 0.00 N ATOM 1059 CA GLU A 74 23.725 12.660 -10.211 1.00 0.00 C ATOM 1060 C GLU A 74 22.917 11.413 -9.853 1.00 0.00 C ATOM 1061 O GLU A 74 21.839 11.184 -10.403 1.00 0.00 O ATOM 1062 CB GLU A 74 23.232 13.848 -9.380 1.00 0.00 C ATOM 1063 CG GLU A 74 22.117 14.573 -10.136 1.00 0.00 C ATOM 1064 CD GLU A 74 22.713 15.633 -11.058 1.00 0.00 C ATOM 1065 OE1 GLU A 74 23.885 15.934 -10.901 1.00 0.00 O ATOM 1066 OE2 GLU A 74 21.989 16.125 -11.908 1.00 0.00 O ATOM 0 H GLU A 74 23.426 13.944 -11.846 1.00 0.00 H new ATOM 0 HA GLU A 74 24.776 12.474 -9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 74 22.865 13.502 -8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 74 24.056 14.533 -9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 74 21.537 13.857 -10.719 1.00 0.00 H new ATOM 0 HG3 GLU A 74 21.431 15.039 -9.429 1.00 0.00 H new ATOM 1073 N PRO A 75 23.414 10.609 -8.948 1.00 0.00 N ATOM 1074 CA PRO A 75 22.721 9.360 -8.512 1.00 0.00 C ATOM 1075 C PRO A 75 21.523 9.650 -7.609 1.00 0.00 C ATOM 1076 O PRO A 75 21.225 10.806 -7.309 1.00 0.00 O ATOM 1077 CB PRO A 75 23.805 8.598 -7.752 1.00 0.00 C ATOM 1078 CG PRO A 75 24.729 9.647 -7.232 1.00 0.00 C ATOM 1079 CD PRO A 75 24.691 10.798 -8.238 1.00 0.00 C ATOM 0 HA PRO A 75 22.309 8.803 -9.354 1.00 0.00 H new ATOM 0 HB2 PRO A 75 23.377 8.012 -6.939 1.00 0.00 H new ATOM 0 HB3 PRO A 75 24.329 7.901 -8.406 1.00 0.00 H new ATOM 0 HG2 PRO A 75 24.415 9.985 -6.244 1.00 0.00 H new ATOM 0 HG3 PRO A 75 25.741 9.256 -7.129 1.00 0.00 H new ATOM 0 HD2 PRO A 75 24.730 11.766 -7.739 1.00 0.00 H new ATOM 0 HD3 PRO A 75 25.538 10.758 -8.923 1.00 0.00 H new ATOM 1087 N SER A 76 20.842 8.592 -7.177 1.00 0.00 N ATOM 1088 CA SER A 76 19.680 8.744 -6.308 1.00 0.00 C ATOM 1089 C SER A 76 19.867 7.951 -5.020 1.00 0.00 C ATOM 1090 O SER A 76 20.916 7.346 -4.800 1.00 0.00 O ATOM 1091 CB SER A 76 18.422 8.258 -7.027 1.00 0.00 C ATOM 1092 OG SER A 76 18.598 8.402 -8.431 1.00 0.00 O ATOM 0 H SER A 76 21.073 7.627 -7.413 1.00 0.00 H new ATOM 0 HA SER A 76 19.572 9.800 -6.060 1.00 0.00 H new ATOM 0 HB2 SER A 76 18.227 7.215 -6.778 1.00 0.00 H new ATOM 0 HB3 SER A 76 17.556 8.831 -6.697 1.00 0.00 H new ATOM 0 HG SER A 76 17.794 8.090 -8.895 1.00 0.00 H new ATOM 1098 N GLU A 77 18.846 7.959 -4.171 1.00 0.00 N ATOM 1099 CA GLU A 77 18.910 7.238 -2.906 1.00 0.00 C ATOM 1100 C GLU A 77 18.290 5.854 -3.041 1.00 0.00 C ATOM 1101 O GLU A 77 18.903 4.932 -3.582 1.00 0.00 O ATOM 1102 CB GLU A 77 18.175 8.020 -1.818 1.00 0.00 C ATOM 1103 CG GLU A 77 19.044 9.189 -1.352 1.00 0.00 C ATOM 1104 CD GLU A 77 18.548 9.708 -0.007 1.00 0.00 C ATOM 1105 OE1 GLU A 77 18.275 8.890 0.857 1.00 0.00 O ATOM 1106 OE2 GLU A 77 18.447 10.915 0.141 1.00 0.00 O ATOM 0 H GLU A 77 17.969 8.454 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 77 19.959 7.128 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 77 17.224 8.390 -2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.946 7.366 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 77 20.082 8.869 -1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 77 19.017 9.989 -2.092 1.00 0.00 H new ATOM 1113 N VAL A 78 17.072 5.720 -2.542 1.00 0.00 N ATOM 1114 CA VAL A 78 16.362 4.448 -2.599 1.00 0.00 C ATOM 1115 C VAL A 78 14.857 4.678 -2.701 1.00 0.00 C ATOM 1116 O VAL A 78 14.403 5.550 -3.440 1.00 0.00 O ATOM 1117 CB VAL A 78 16.671 3.627 -1.345 1.00 0.00 C ATOM 1118 CG1 VAL A 78 16.521 2.138 -1.657 1.00 0.00 C ATOM 1119 CG2 VAL A 78 18.105 3.909 -0.891 1.00 0.00 C ATOM 0 H VAL A 78 16.553 6.474 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 78 16.694 3.904 -3.483 1.00 0.00 H new ATOM 0 HB VAL A 78 15.976 3.903 -0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 78 16.741 1.555 -0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 78 15.500 1.935 -1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 78 17.215 1.861 -2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 78 18.325 3.324 0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.799 3.634 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.213 4.970 -0.666 1.00 0.00 H new ATOM 1129 N GLU A 79 14.090 3.889 -1.953 1.00 0.00 N ATOM 1130 CA GLU A 79 12.636 4.017 -1.968 1.00 0.00 C ATOM 1131 C GLU A 79 12.085 4.047 -0.544 1.00 0.00 C ATOM 1132 O GLU A 79 11.193 4.835 -0.230 1.00 0.00 O ATOM 1133 CB GLU A 79 12.017 2.844 -2.730 1.00 0.00 C ATOM 1134 CG GLU A 79 12.329 2.980 -4.222 1.00 0.00 C ATOM 1135 CD GLU A 79 11.128 2.534 -5.049 1.00 0.00 C ATOM 1136 OE1 GLU A 79 10.387 1.689 -4.575 1.00 0.00 O ATOM 1137 OE2 GLU A 79 10.967 3.046 -6.145 1.00 0.00 O ATOM 0 H GLU A 79 14.447 3.161 -1.334 1.00 0.00 H new ATOM 0 HA GLU A 79 12.378 4.952 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.411 1.902 -2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.938 2.824 -2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.579 4.015 -4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.200 2.376 -4.476 1.00 0.00 H new ATOM 1144 N GLY A 80 12.624 3.184 0.313 1.00 0.00 N ATOM 1145 CA GLY A 80 12.179 3.121 1.700 1.00 0.00 C ATOM 1146 C GLY A 80 13.285 2.589 2.605 1.00 0.00 C ATOM 1147 O GLY A 80 13.527 1.384 2.666 1.00 0.00 O ATOM 0 H GLY A 80 13.364 2.524 0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.877 4.114 2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.302 2.478 1.775 1.00 0.00 H new ATOM 1151 N SER A 81 13.952 3.497 3.309 1.00 0.00 N ATOM 1152 CA SER A 81 15.031 3.110 4.211 1.00 0.00 C ATOM 1153 C SER A 81 14.468 2.428 5.454 1.00 0.00 C ATOM 1154 O SER A 81 13.264 2.196 5.555 1.00 0.00 O ATOM 1155 CB SER A 81 15.835 4.344 4.621 1.00 0.00 C ATOM 1156 OG SER A 81 15.288 5.493 3.985 1.00 0.00 O ATOM 0 H SER A 81 13.767 4.499 3.273 1.00 0.00 H new ATOM 0 HA SER A 81 15.684 2.409 3.691 1.00 0.00 H new ATOM 0 HB2 SER A 81 15.809 4.466 5.704 1.00 0.00 H new ATOM 0 HB3 SER A 81 16.881 4.221 4.339 1.00 0.00 H new ATOM 0 HG SER A 81 15.800 6.287 4.247 1.00 0.00 H new ATOM 1162 N ALA A 82 15.347 2.109 6.398 1.00 0.00 N ATOM 1163 CA ALA A 82 14.929 1.454 7.628 1.00 0.00 C ATOM 1164 C ALA A 82 13.752 2.195 8.257 1.00 0.00 C ATOM 1165 O ALA A 82 12.607 1.750 8.167 1.00 0.00 O ATOM 1166 CB ALA A 82 16.095 1.409 8.613 1.00 0.00 C ATOM 0 H ALA A 82 16.348 2.293 6.334 1.00 0.00 H new ATOM 0 HA ALA A 82 14.615 0.438 7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.776 0.917 9.532 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.922 0.853 8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.420 2.425 8.839 1.00 0.00 H new ATOM 1172 N ALA A 83 14.044 3.326 8.893 1.00 0.00 N ATOM 1173 CA ALA A 83 13.002 4.121 9.532 1.00 0.00 C ATOM 1174 C ALA A 83 13.587 5.401 10.123 1.00 0.00 C ATOM 1175 O ALA A 83 14.334 6.119 9.459 1.00 0.00 O ATOM 1176 CB ALA A 83 12.329 3.308 10.642 1.00 0.00 C ATOM 0 H ALA A 83 14.985 3.709 8.979 1.00 0.00 H new ATOM 0 HA ALA A 83 12.263 4.387 8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.552 3.910 11.114 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.883 2.409 10.216 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.072 3.026 11.388 1.00 0.00 H new ATOM 1182 N ASN A 84 13.241 5.677 11.376 1.00 0.00 N ATOM 1183 CA ASN A 84 13.735 6.872 12.052 1.00 0.00 C ATOM 1184 C ASN A 84 14.919 6.524 12.950 1.00 0.00 C ATOM 1185 O ASN A 84 15.375 7.349 13.741 1.00 0.00 O ATOM 1186 CB ASN A 84 12.620 7.496 12.893 1.00 0.00 C ATOM 1187 CG ASN A 84 11.564 8.120 11.985 1.00 0.00 C ATOM 1188 OD1 ASN A 84 11.877 9.003 11.185 1.00 0.00 O ATOM 1189 ND2 ASN A 84 10.326 7.714 12.063 1.00 0.00 N ATOM 0 H ASN A 84 12.624 5.094 11.941 1.00 0.00 H new ATOM 0 HA ASN A 84 14.061 7.587 11.297 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.163 6.736 13.526 1.00 0.00 H new ATOM 0 HB3 ASN A 84 13.035 8.255 13.556 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.615 8.128 11.461 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.070 6.983 12.726 1.00 0.00 H new ATOM 1196 N LYS A 85 15.409 5.295 12.821 1.00 0.00 N ATOM 1197 CA LYS A 85 16.539 4.841 13.623 1.00 0.00 C ATOM 1198 C LYS A 85 17.847 5.036 12.872 1.00 0.00 C ATOM 1199 O LYS A 85 18.468 6.096 12.939 1.00 0.00 O ATOM 1200 CB LYS A 85 16.367 3.362 13.974 1.00 0.00 C ATOM 1201 CG LYS A 85 17.531 2.908 14.858 1.00 0.00 C ATOM 1202 CD LYS A 85 17.510 1.384 14.987 1.00 0.00 C ATOM 1203 CE LYS A 85 18.380 0.960 16.172 1.00 0.00 C ATOM 1204 NZ LYS A 85 17.842 1.558 17.426 1.00 0.00 N ATOM 0 H LYS A 85 15.043 4.599 12.172 1.00 0.00 H new ATOM 0 HA LYS A 85 16.570 5.433 14.538 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.421 3.208 14.493 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.332 2.763 13.064 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.478 3.234 14.427 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.454 3.368 15.843 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.487 1.035 15.130 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.878 0.926 14.069 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.397 -0.127 16.253 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.409 1.284 16.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 17.840 0.841 18.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 18.440 2.359 17.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.871 1.892 17.263 1.00 0.00 H new ATOM 1218 N GLU A 86 18.251 4.002 12.153 1.00 0.00 N ATOM 1219 CA GLU A 86 19.479 4.045 11.376 1.00 0.00 C ATOM 1220 C GLU A 86 20.530 4.908 12.065 1.00 0.00 C ATOM 1221 O GLU A 86 21.383 5.505 11.408 1.00 0.00 O ATOM 1222 CB GLU A 86 19.183 4.604 9.987 1.00 0.00 C ATOM 1223 CG GLU A 86 18.128 5.707 10.092 1.00 0.00 C ATOM 1224 CD GLU A 86 17.817 6.266 8.707 1.00 0.00 C ATOM 1225 OE1 GLU A 86 18.754 6.609 8.004 1.00 0.00 O ATOM 1226 OE2 GLU A 86 16.647 6.345 8.371 1.00 0.00 O ATOM 0 H GLU A 86 17.744 3.119 12.091 1.00 0.00 H new ATOM 0 HA GLU A 86 19.871 3.032 11.290 1.00 0.00 H new ATOM 0 HB2 GLU A 86 20.095 5.001 9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.828 3.808 9.332 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.220 5.311 10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.487 6.504 10.743 1.00 0.00 H new ATOM 1233 N VAL A 87 20.463 4.972 13.390 1.00 0.00 N ATOM 1234 CA VAL A 87 21.415 5.771 14.153 1.00 0.00 C ATOM 1235 C VAL A 87 21.491 5.290 15.597 1.00 0.00 C ATOM 1236 O VAL A 87 20.480 4.915 16.191 1.00 0.00 O ATOM 1237 CB VAL A 87 20.995 7.240 14.133 1.00 0.00 C ATOM 1238 CG1 VAL A 87 21.984 8.064 14.959 1.00 0.00 C ATOM 1239 CG2 VAL A 87 20.984 7.754 12.691 1.00 0.00 C ATOM 0 H VAL A 87 19.766 4.485 13.954 1.00 0.00 H new ATOM 0 HA VAL A 87 22.397 5.661 13.693 1.00 0.00 H new ATOM 0 HB VAL A 87 19.996 7.335 14.558 1.00 0.00 H new ATOM 0 HG11 VAL A 87 21.685 9.112 14.945 1.00 0.00 H new ATOM 0 HG12 VAL A 87 21.990 7.702 15.987 1.00 0.00 H new ATOM 0 HG13 VAL A 87 22.983 7.966 14.534 1.00 0.00 H new ATOM 0 HG21 VAL A 87 20.684 8.802 12.681 1.00 0.00 H new ATOM 0 HG22 VAL A 87 21.982 7.658 12.263 1.00 0.00 H new ATOM 0 HG23 VAL A 87 20.278 7.169 12.101 1.00 0.00 H new ATOM 1249 N LEU A 88 22.695 5.313 16.158 1.00 0.00 N ATOM 1250 CA LEU A 88 22.893 4.888 17.538 1.00 0.00 C ATOM 1251 C LEU A 88 22.728 6.072 18.474 1.00 0.00 C ATOM 1252 O LEU A 88 22.190 5.950 19.574 1.00 0.00 O ATOM 1253 CB LEU A 88 24.290 4.294 17.710 1.00 0.00 C ATOM 1254 CG LEU A 88 24.310 2.866 17.165 1.00 0.00 C ATOM 1255 CD1 LEU A 88 24.227 2.901 15.638 1.00 0.00 C ATOM 1256 CD2 LEU A 88 25.611 2.182 17.590 1.00 0.00 C ATOM 0 H LEU A 88 23.543 5.619 15.682 1.00 0.00 H new ATOM 0 HA LEU A 88 22.149 4.129 17.780 1.00 0.00 H new ATOM 0 HB2 LEU A 88 25.023 4.905 17.184 1.00 0.00 H new ATOM 0 HB3 LEU A 88 24.570 4.296 18.763 1.00 0.00 H new ATOM 0 HG LEU A 88 23.459 2.312 17.561 1.00 0.00 H new ATOM 0 HD11 LEU A 88 24.241 1.883 15.249 1.00 0.00 H new ATOM 0 HD12 LEU A 88 23.302 3.392 15.335 1.00 0.00 H new ATOM 0 HD13 LEU A 88 25.078 3.453 15.240 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.629 1.163 17.203 1.00 0.00 H new ATOM 0 HD22 LEU A 88 26.461 2.737 17.192 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.671 2.158 18.678 1.00 0.00 H new ATOM 1268 N ALA A 89 23.193 7.216 18.011 1.00 0.00 N ATOM 1269 CA ALA A 89 23.102 8.446 18.777 1.00 0.00 C ATOM 1270 C ALA A 89 23.788 8.305 20.136 1.00 0.00 C ATOM 1271 O ALA A 89 23.130 8.185 21.170 1.00 0.00 O ATOM 1272 CB ALA A 89 21.632 8.814 18.965 1.00 0.00 C ATOM 0 H ALA A 89 23.641 7.320 17.101 1.00 0.00 H new ATOM 0 HA ALA A 89 23.613 9.237 18.228 1.00 0.00 H new ATOM 0 HB1 ALA A 89 21.559 9.737 19.540 1.00 0.00 H new ATOM 0 HB2 ALA A 89 21.165 8.955 17.990 1.00 0.00 H new ATOM 0 HB3 ALA A 89 21.122 8.013 19.499 1.00 0.00 H new ATOM 1278 N LYS A 90 25.118 8.335 20.127 1.00 0.00 N ATOM 1279 CA LYS A 90 25.885 8.230 21.362 1.00 0.00 C ATOM 1280 C LYS A 90 25.534 6.953 22.120 1.00 0.00 C ATOM 1281 O LYS A 90 25.307 5.908 21.512 1.00 0.00 O ATOM 1282 CB LYS A 90 25.606 9.460 22.230 1.00 0.00 C ATOM 1283 CG LYS A 90 26.922 10.055 22.760 1.00 0.00 C ATOM 1284 CD LYS A 90 27.772 10.647 21.619 1.00 0.00 C ATOM 1285 CE LYS A 90 26.895 11.433 20.640 1.00 0.00 C ATOM 1286 NZ LYS A 90 27.752 12.352 19.839 1.00 0.00 N ATOM 0 H LYS A 90 25.683 8.431 19.283 1.00 0.00 H new ATOM 0 HA LYS A 90 26.946 8.186 21.117 1.00 0.00 H new ATOM 0 HB2 LYS A 90 25.070 10.209 21.648 1.00 0.00 H new ATOM 0 HB3 LYS A 90 24.962 9.185 23.065 1.00 0.00 H new ATOM 0 HG2 LYS A 90 26.703 10.832 23.493 1.00 0.00 H new ATOM 0 HG3 LYS A 90 27.491 9.281 23.276 1.00 0.00 H new ATOM 0 HD2 LYS A 90 28.539 11.301 22.033 1.00 0.00 H new ATOM 0 HD3 LYS A 90 28.288 9.846 21.090 1.00 0.00 H new ATOM 0 HE2 LYS A 90 26.362 10.748 19.981 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.142 12.002 21.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 27.159 12.887 19.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 28.241 13.013 20.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 28.454 11.798 19.309 1.00 0.00 H new ATOM 1300 N VAL A 91 25.511 7.044 23.448 1.00 0.00 N ATOM 1301 CA VAL A 91 25.202 5.890 24.285 1.00 0.00 C ATOM 1302 C VAL A 91 26.272 4.816 24.131 1.00 0.00 C ATOM 1303 O VAL A 91 26.080 3.830 23.419 1.00 0.00 O ATOM 1304 CB VAL A 91 23.833 5.320 23.914 1.00 0.00 C ATOM 1305 CG1 VAL A 91 23.689 3.918 24.506 1.00 0.00 C ATOM 1306 CG2 VAL A 91 22.741 6.231 24.474 1.00 0.00 C ATOM 0 H VAL A 91 25.702 7.902 23.965 1.00 0.00 H new ATOM 0 HA VAL A 91 25.181 6.215 25.325 1.00 0.00 H new ATOM 0 HB VAL A 91 23.738 5.264 22.830 1.00 0.00 H new ATOM 0 HG11 VAL A 91 22.713 3.510 24.242 1.00 0.00 H new ATOM 0 HG12 VAL A 91 24.472 3.273 24.107 1.00 0.00 H new ATOM 0 HG13 VAL A 91 23.779 3.970 25.591 1.00 0.00 H new ATOM 0 HG21 VAL A 91 21.762 5.829 24.212 1.00 0.00 H new ATOM 0 HG22 VAL A 91 22.833 6.285 25.559 1.00 0.00 H new ATOM 0 HG23 VAL A 91 22.848 7.230 24.051 1.00 0.00 H new ATOM 1316 N ILE A 92 27.401 5.016 24.804 1.00 0.00 N ATOM 1317 CA ILE A 92 28.501 4.061 24.739 1.00 0.00 C ATOM 1318 C ILE A 92 27.973 2.634 24.816 1.00 0.00 C ATOM 1319 O ILE A 92 26.802 2.408 25.120 1.00 0.00 O ATOM 1320 CB ILE A 92 29.481 4.307 25.887 1.00 0.00 C ATOM 1321 CG1 ILE A 92 28.798 3.983 27.218 1.00 0.00 C ATOM 1322 CG2 ILE A 92 29.916 5.773 25.882 1.00 0.00 C ATOM 1323 CD1 ILE A 92 29.771 4.246 28.368 1.00 0.00 C ATOM 0 H ILE A 92 27.577 5.827 25.398 1.00 0.00 H new ATOM 0 HA ILE A 92 29.018 4.197 23.789 1.00 0.00 H new ATOM 0 HB ILE A 92 30.355 3.668 25.761 1.00 0.00 H new ATOM 0 HG12 ILE A 92 27.903 4.594 27.338 1.00 0.00 H new ATOM 0 HG13 ILE A 92 28.477 2.941 27.230 1.00 0.00 H new ATOM 0 HG21 ILE A 92 30.614 5.948 26.700 1.00 0.00 H new ATOM 0 HG22 ILE A 92 30.402 6.005 24.934 1.00 0.00 H new ATOM 0 HG23 ILE A 92 29.042 6.412 26.008 1.00 0.00 H new ATOM 0 HD11 ILE A 92 29.285 4.015 29.316 1.00 0.00 H new ATOM 0 HD12 ILE A 92 30.653 3.616 28.250 1.00 0.00 H new ATOM 0 HD13 ILE A 92 30.070 5.294 28.359 1.00 0.00 H new ATOM 1335 N ASP A 93 28.846 1.673 24.536 1.00 0.00 N ATOM 1336 CA ASP A 93 28.460 0.270 24.574 1.00 0.00 C ATOM 1337 C ASP A 93 29.610 -0.610 24.101 1.00 0.00 C ATOM 1338 O ASP A 93 29.787 -0.830 22.903 1.00 0.00 O ATOM 1339 CB ASP A 93 27.236 0.046 23.685 1.00 0.00 C ATOM 1340 CG ASP A 93 27.042 -1.445 23.429 1.00 0.00 C ATOM 1341 OD1 ASP A 93 27.619 -2.232 24.162 1.00 0.00 O ATOM 1342 OD2 ASP A 93 26.321 -1.778 22.503 1.00 0.00 O ATOM 0 H ASP A 93 29.820 1.839 24.282 1.00 0.00 H new ATOM 0 HA ASP A 93 28.214 0.002 25.601 1.00 0.00 H new ATOM 0 HB2 ASP A 93 26.348 0.460 24.164 1.00 0.00 H new ATOM 0 HB3 ASP A 93 27.362 0.572 22.739 1.00 0.00 H new ATOM 1347 N LEU A 94 30.392 -1.105 25.053 1.00 0.00 N ATOM 1348 CA LEU A 94 31.529 -1.957 24.730 1.00 0.00 C ATOM 1349 C LEU A 94 31.429 -3.289 25.458 1.00 0.00 C ATOM 1350 O LEU A 94 30.911 -4.269 24.922 1.00 0.00 O ATOM 1351 CB LEU A 94 32.830 -1.250 25.122 1.00 0.00 C ATOM 1352 CG LEU A 94 33.624 -0.904 23.861 1.00 0.00 C ATOM 1353 CD1 LEU A 94 34.077 -2.194 23.172 1.00 0.00 C ATOM 1354 CD2 LEU A 94 32.738 -0.100 22.907 1.00 0.00 C ATOM 0 H LEU A 94 30.260 -0.932 26.050 1.00 0.00 H new ATOM 0 HA LEU A 94 31.525 -2.149 23.657 1.00 0.00 H new ATOM 0 HB2 LEU A 94 32.608 -0.343 25.685 1.00 0.00 H new ATOM 0 HB3 LEU A 94 33.423 -1.892 25.773 1.00 0.00 H new ATOM 0 HG LEU A 94 34.498 -0.312 24.133 1.00 0.00 H new ATOM 0 HD11 LEU A 94 34.643 -1.947 22.274 1.00 0.00 H new ATOM 0 HD12 LEU A 94 34.707 -2.767 23.852 1.00 0.00 H new ATOM 0 HD13 LEU A 94 33.204 -2.787 22.900 1.00 0.00 H new ATOM 0 HD21 LEU A 94 33.302 0.147 22.008 1.00 0.00 H new ATOM 0 HD22 LEU A 94 31.864 -0.692 22.636 1.00 0.00 H new ATOM 0 HD23 LEU A 94 32.415 0.819 23.397 1.00 0.00 H new ATOM 1366 N THR A 95 31.933 -3.311 26.678 1.00 0.00 N ATOM 1367 CA THR A 95 31.908 -4.524 27.488 1.00 0.00 C ATOM 1368 C THR A 95 30.958 -4.361 28.671 1.00 0.00 C ATOM 1369 O THR A 95 31.338 -4.582 29.820 1.00 0.00 O ATOM 1370 CB THR A 95 33.315 -4.841 27.999 1.00 0.00 C ATOM 1371 OG1 THR A 95 33.223 -5.586 29.204 1.00 0.00 O ATOM 1372 CG2 THR A 95 34.073 -3.538 28.258 1.00 0.00 C ATOM 0 H THR A 95 32.365 -2.507 27.133 1.00 0.00 H new ATOM 0 HA THR A 95 31.555 -5.346 26.865 1.00 0.00 H new ATOM 0 HB THR A 95 33.850 -5.426 27.250 1.00 0.00 H new ATOM 0 HG1 THR A 95 32.903 -5.004 29.925 1.00 0.00 H new ATOM 0 HG21 THR A 95 35.075 -3.766 28.622 1.00 0.00 H new ATOM 0 HG22 THR A 95 34.144 -2.968 27.331 1.00 0.00 H new ATOM 0 HG23 THR A 95 33.541 -2.950 29.005 1.00 0.00 H new ATOM 1380 N HIS A 96 29.721 -3.975 28.379 1.00 0.00 N ATOM 1381 CA HIS A 96 28.724 -3.787 29.426 1.00 0.00 C ATOM 1382 C HIS A 96 27.354 -4.231 28.939 1.00 0.00 C ATOM 1383 O HIS A 96 26.464 -4.535 29.733 1.00 0.00 O ATOM 1384 CB HIS A 96 28.669 -2.317 29.835 1.00 0.00 C ATOM 1385 CG HIS A 96 28.317 -2.214 31.292 1.00 0.00 C ATOM 1386 ND1 HIS A 96 29.179 -1.656 32.223 1.00 0.00 N ATOM 1387 CD2 HIS A 96 27.200 -2.591 31.995 1.00 0.00 C ATOM 1388 CE1 HIS A 96 28.571 -1.712 33.423 1.00 0.00 C ATOM 1389 NE2 HIS A 96 27.362 -2.273 33.339 1.00 0.00 N ATOM 0 H HIS A 96 29.386 -3.787 27.434 1.00 0.00 H new ATOM 0 HA HIS A 96 29.007 -4.392 30.287 1.00 0.00 H new ATOM 0 HB2 HIS A 96 29.631 -1.840 29.648 1.00 0.00 H new ATOM 0 HB3 HIS A 96 27.929 -1.789 29.233 1.00 0.00 H new ATOM 0 HD2 HIS A 96 26.327 -3.063 31.569 1.00 0.00 H new ATOM 0 HE1 HIS A 96 29.008 -1.348 34.341 1.00 0.00 H new ATOM 0 HE2 HIS A 96 26.700 -2.434 34.098 1.00 0.00 H new ATOM 1397 N ASP A 97 27.200 -4.266 27.627 1.00 0.00 N ATOM 1398 CA ASP A 97 25.939 -4.675 27.020 1.00 0.00 C ATOM 1399 C ASP A 97 26.191 -5.447 25.729 1.00 0.00 C ATOM 1400 O ASP A 97 25.858 -4.980 24.640 1.00 0.00 O ATOM 1401 CB ASP A 97 25.077 -3.446 26.727 1.00 0.00 C ATOM 1402 CG ASP A 97 24.783 -2.697 28.023 1.00 0.00 C ATOM 1403 OD1 ASP A 97 24.454 -3.349 29.000 1.00 0.00 O ATOM 1404 OD2 ASP A 97 24.889 -1.481 28.019 1.00 0.00 O ATOM 0 H ASP A 97 27.930 -4.017 26.959 1.00 0.00 H new ATOM 0 HA ASP A 97 25.414 -5.325 27.720 1.00 0.00 H new ATOM 0 HB2 ASP A 97 25.591 -2.789 26.026 1.00 0.00 H new ATOM 0 HB3 ASP A 97 24.144 -3.750 26.253 1.00 0.00 H new ATOM 1409 N ASN A 98 26.784 -6.630 25.861 1.00 0.00 N ATOM 1410 CA ASN A 98 27.079 -7.460 24.700 1.00 0.00 C ATOM 1411 C ASN A 98 25.979 -8.496 24.489 1.00 0.00 C ATOM 1412 O ASN A 98 25.291 -8.882 25.433 1.00 0.00 O ATOM 1413 CB ASN A 98 28.423 -8.169 24.891 1.00 0.00 C ATOM 1414 CG ASN A 98 28.315 -9.204 26.006 1.00 0.00 C ATOM 1415 OD1 ASN A 98 27.432 -10.062 25.975 1.00 0.00 O ATOM 1416 ND2 ASN A 98 29.166 -9.176 26.995 1.00 0.00 N ATOM 0 H ASN A 98 27.068 -7.032 26.754 1.00 0.00 H new ATOM 0 HA ASN A 98 27.130 -6.817 23.821 1.00 0.00 H new ATOM 0 HB2 ASN A 98 28.723 -8.654 23.962 1.00 0.00 H new ATOM 0 HB3 ASN A 98 29.196 -7.440 25.134 1.00 0.00 H new ATOM 0 HD21 ASN A 98 29.100 -9.865 27.744 1.00 0.00 H new ATOM 0 HD22 ASN A 98 29.897 -8.465 27.019 1.00 0.00 H new ATOM 1423 N LYS A 99 25.815 -8.937 23.245 1.00 0.00 N ATOM 1424 CA LYS A 99 24.790 -9.924 22.926 1.00 0.00 C ATOM 1425 C LYS A 99 25.301 -10.923 21.889 1.00 0.00 C ATOM 1426 O LYS A 99 24.581 -11.833 21.479 1.00 0.00 O ATOM 1427 CB LYS A 99 23.538 -9.214 22.404 1.00 0.00 C ATOM 1428 CG LYS A 99 23.547 -9.195 20.873 1.00 0.00 C ATOM 1429 CD LYS A 99 22.669 -8.046 20.371 1.00 0.00 C ATOM 1430 CE LYS A 99 23.434 -6.724 20.479 1.00 0.00 C ATOM 1431 NZ LYS A 99 23.573 -6.118 19.124 1.00 0.00 N ATOM 0 H LYS A 99 26.373 -8.630 22.449 1.00 0.00 H new ATOM 0 HA LYS A 99 24.541 -10.475 23.833 1.00 0.00 H new ATOM 0 HB2 LYS A 99 22.644 -9.723 22.764 1.00 0.00 H new ATOM 0 HB3 LYS A 99 23.501 -8.195 22.788 1.00 0.00 H new ATOM 0 HG2 LYS A 99 24.566 -9.075 20.506 1.00 0.00 H new ATOM 0 HG3 LYS A 99 23.179 -10.145 20.485 1.00 0.00 H new ATOM 0 HD2 LYS A 99 22.377 -8.224 19.336 1.00 0.00 H new ATOM 0 HD3 LYS A 99 21.751 -7.995 20.957 1.00 0.00 H new ATOM 0 HE2 LYS A 99 22.906 -6.039 21.143 1.00 0.00 H new ATOM 0 HE3 LYS A 99 24.418 -6.896 20.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 24.374 -5.455 19.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 23.742 -6.868 18.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.700 -5.608 18.881 1.00 0.00 H new ATOM 1445 N ASP A 100 26.544 -10.754 21.465 1.00 0.00 N ATOM 1446 CA ASP A 100 27.113 -11.660 20.481 1.00 0.00 C ATOM 1447 C ASP A 100 26.770 -13.101 20.848 1.00 0.00 C ATOM 1448 O ASP A 100 26.917 -14.013 20.036 1.00 0.00 O ATOM 1449 CB ASP A 100 28.631 -11.487 20.424 1.00 0.00 C ATOM 1450 CG ASP A 100 28.978 -10.045 20.072 1.00 0.00 C ATOM 1451 OD1 ASP A 100 29.081 -9.242 20.985 1.00 0.00 O ATOM 1452 OD2 ASP A 100 29.134 -9.764 18.895 1.00 0.00 O ATOM 0 H ASP A 100 27.168 -10.012 21.780 1.00 0.00 H new ATOM 0 HA ASP A 100 26.694 -11.429 19.502 1.00 0.00 H new ATOM 0 HB2 ASP A 100 29.072 -11.752 21.385 1.00 0.00 H new ATOM 0 HB3 ASP A 100 29.055 -12.163 19.682 1.00 0.00 H new ATOM 1457 N ASP A 101 26.318 -13.294 22.085 1.00 0.00 N ATOM 1458 CA ASP A 101 25.964 -14.626 22.563 1.00 0.00 C ATOM 1459 C ASP A 101 24.835 -15.230 21.735 1.00 0.00 C ATOM 1460 O ASP A 101 25.011 -16.273 21.105 1.00 0.00 O ATOM 1461 CB ASP A 101 25.529 -14.548 24.025 1.00 0.00 C ATOM 1462 CG ASP A 101 25.474 -15.950 24.626 1.00 0.00 C ATOM 1463 OD1 ASP A 101 24.507 -16.646 24.368 1.00 0.00 O ATOM 1464 OD2 ASP A 101 26.401 -16.305 25.335 1.00 0.00 O ATOM 0 H ASP A 101 26.189 -12.549 22.770 1.00 0.00 H new ATOM 0 HA ASP A 101 26.843 -15.264 22.466 1.00 0.00 H new ATOM 0 HB2 ASP A 101 26.227 -13.928 24.589 1.00 0.00 H new ATOM 0 HB3 ASP A 101 24.551 -14.073 24.098 1.00 0.00 H new ATOM 1469 N LEU A 102 23.677 -14.574 21.730 1.00 0.00 N ATOM 1470 CA LEU A 102 22.549 -15.082 20.960 1.00 0.00 C ATOM 1471 C LEU A 102 22.651 -14.651 19.515 1.00 0.00 C ATOM 1472 O LEU A 102 22.173 -15.339 18.639 1.00 0.00 O ATOM 1473 CB LEU A 102 21.202 -14.615 21.534 1.00 0.00 C ATOM 1474 CG LEU A 102 20.689 -13.364 20.796 1.00 0.00 C ATOM 1475 CD1 LEU A 102 19.402 -12.878 21.458 1.00 0.00 C ATOM 1476 CD2 LEU A 102 21.733 -12.250 20.861 1.00 0.00 C ATOM 0 H LEU A 102 23.498 -13.708 22.239 1.00 0.00 H new ATOM 0 HA LEU A 102 22.589 -16.169 21.023 1.00 0.00 H new ATOM 0 HB2 LEU A 102 20.469 -15.417 21.449 1.00 0.00 H new ATOM 0 HB3 LEU A 102 21.312 -14.395 22.596 1.00 0.00 H new ATOM 0 HG LEU A 102 20.500 -13.621 19.754 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.037 -11.993 20.937 1.00 0.00 H new ATOM 0 HD12 LEU A 102 18.648 -13.664 21.409 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.600 -12.630 22.501 1.00 0.00 H new ATOM 0 HD21 LEU A 102 21.360 -11.371 20.336 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.929 -11.995 21.903 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.656 -12.589 20.391 1.00 0.00 H new ATOM 1488 N GLN A 103 23.270 -13.516 19.258 1.00 0.00 N ATOM 1489 CA GLN A 103 23.381 -13.057 17.887 1.00 0.00 C ATOM 1490 C GLN A 103 24.223 -14.029 17.102 1.00 0.00 C ATOM 1491 O GLN A 103 23.924 -14.370 15.956 1.00 0.00 O ATOM 1492 CB GLN A 103 23.999 -11.662 17.858 1.00 0.00 C ATOM 1493 CG GLN A 103 23.116 -10.734 17.022 1.00 0.00 C ATOM 1494 CD GLN A 103 23.913 -9.515 16.569 1.00 0.00 C ATOM 1495 OE1 GLN A 103 23.955 -8.506 17.272 1.00 0.00 O ATOM 1496 NE2 GLN A 103 24.547 -9.546 15.428 1.00 0.00 N ATOM 0 H GLN A 103 23.694 -12.908 19.959 1.00 0.00 H new ATOM 0 HA GLN A 103 22.391 -13.004 17.435 1.00 0.00 H new ATOM 0 HB2 GLN A 103 24.096 -11.274 18.872 1.00 0.00 H new ATOM 0 HB3 GLN A 103 25.003 -11.705 17.436 1.00 0.00 H new ATOM 0 HG2 GLN A 103 22.732 -11.270 16.154 1.00 0.00 H new ATOM 0 HG3 GLN A 103 22.253 -10.416 17.607 1.00 0.00 H new ATOM 0 HE21 GLN A 103 24.511 -10.384 14.847 1.00 0.00 H new ATOM 0 HE22 GLN A 103 25.079 -8.733 15.118 1.00 0.00 H new ATOM 1505 N ALA A 104 25.268 -14.483 17.747 1.00 0.00 N ATOM 1506 CA ALA A 104 26.168 -15.422 17.140 1.00 0.00 C ATOM 1507 C ALA A 104 25.601 -16.834 17.198 1.00 0.00 C ATOM 1508 O ALA A 104 25.456 -17.490 16.172 1.00 0.00 O ATOM 1509 CB ALA A 104 27.511 -15.356 17.853 1.00 0.00 C ATOM 0 H ALA A 104 25.515 -14.213 18.699 1.00 0.00 H new ATOM 0 HA ALA A 104 26.300 -15.162 16.090 1.00 0.00 H new ATOM 0 HB1 ALA A 104 28.200 -16.067 17.397 1.00 0.00 H new ATOM 0 HB2 ALA A 104 27.919 -14.349 17.767 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.377 -15.605 18.906 1.00 0.00 H new ATOM 1515 N ALA A 105 25.270 -17.297 18.397 1.00 0.00 N ATOM 1516 CA ALA A 105 24.708 -18.632 18.543 1.00 0.00 C ATOM 1517 C ALA A 105 23.494 -18.781 17.630 1.00 0.00 C ATOM 1518 O ALA A 105 23.356 -19.771 16.909 1.00 0.00 O ATOM 1519 CB ALA A 105 24.296 -18.874 19.995 1.00 0.00 C ATOM 0 H ALA A 105 25.379 -16.778 19.268 1.00 0.00 H new ATOM 0 HA ALA A 105 25.463 -19.367 18.263 1.00 0.00 H new ATOM 0 HB1 ALA A 105 23.877 -19.876 20.092 1.00 0.00 H new ATOM 0 HB2 ALA A 105 25.169 -18.782 20.641 1.00 0.00 H new ATOM 0 HB3 ALA A 105 23.548 -18.138 20.288 1.00 0.00 H new ATOM 1525 N ILE A 106 22.624 -17.777 17.662 1.00 0.00 N ATOM 1526 CA ILE A 106 21.425 -17.783 16.834 1.00 0.00 C ATOM 1527 C ILE A 106 21.782 -17.787 15.362 1.00 0.00 C ATOM 1528 O ILE A 106 21.228 -18.553 14.592 1.00 0.00 O ATOM 1529 CB ILE A 106 20.583 -16.554 17.106 1.00 0.00 C ATOM 1530 CG1 ILE A 106 20.103 -16.555 18.563 1.00 0.00 C ATOM 1531 CG2 ILE A 106 19.377 -16.557 16.173 1.00 0.00 C ATOM 1532 CD1 ILE A 106 18.804 -17.355 18.677 1.00 0.00 C ATOM 0 H ILE A 106 22.727 -16.951 18.251 1.00 0.00 H new ATOM 0 HA ILE A 106 20.867 -18.686 17.083 1.00 0.00 H new ATOM 0 HB ILE A 106 21.184 -15.661 16.932 1.00 0.00 H new ATOM 0 HG12 ILE A 106 20.867 -16.990 19.207 1.00 0.00 H new ATOM 0 HG13 ILE A 106 19.943 -15.532 18.904 1.00 0.00 H new ATOM 0 HG21 ILE A 106 18.767 -15.674 16.364 1.00 0.00 H new ATOM 0 HG22 ILE A 106 19.718 -16.545 15.138 1.00 0.00 H new ATOM 0 HG23 ILE A 106 18.783 -17.454 16.349 1.00 0.00 H new ATOM 0 HD11 ILE A 106 18.466 -17.354 19.713 1.00 0.00 H new ATOM 0 HD12 ILE A 106 18.040 -16.901 18.045 1.00 0.00 H new ATOM 0 HD13 ILE A 106 18.979 -18.381 18.354 1.00 0.00 H new ATOM 1544 N ALA A 107 22.692 -16.905 14.971 1.00 0.00 N ATOM 1545 CA ALA A 107 23.087 -16.813 13.574 1.00 0.00 C ATOM 1546 C ALA A 107 23.707 -18.120 13.088 1.00 0.00 C ATOM 1547 O ALA A 107 23.427 -18.573 11.980 1.00 0.00 O ATOM 1548 CB ALA A 107 24.085 -15.677 13.404 1.00 0.00 C ATOM 0 H ALA A 107 23.165 -16.250 15.594 1.00 0.00 H new ATOM 0 HA ALA A 107 22.196 -16.618 12.977 1.00 0.00 H new ATOM 0 HB1 ALA A 107 24.382 -15.607 12.358 1.00 0.00 H new ATOM 0 HB2 ALA A 107 23.625 -14.739 13.714 1.00 0.00 H new ATOM 0 HB3 ALA A 107 24.964 -15.870 14.018 1.00 0.00 H new ATOM 1554 N LEU A 108 24.552 -18.718 13.917 1.00 0.00 N ATOM 1555 CA LEU A 108 25.205 -19.969 13.550 1.00 0.00 C ATOM 1556 C LEU A 108 24.174 -21.080 13.375 1.00 0.00 C ATOM 1557 O LEU A 108 24.271 -21.891 12.455 1.00 0.00 O ATOM 1558 CB LEU A 108 26.212 -20.371 14.629 1.00 0.00 C ATOM 1559 CG LEU A 108 27.257 -21.313 14.027 1.00 0.00 C ATOM 1560 CD1 LEU A 108 28.566 -20.554 13.811 1.00 0.00 C ATOM 1561 CD2 LEU A 108 27.500 -22.482 14.985 1.00 0.00 C ATOM 0 H LEU A 108 24.800 -18.362 14.840 1.00 0.00 H new ATOM 0 HA LEU A 108 25.727 -19.820 12.605 1.00 0.00 H new ATOM 0 HB2 LEU A 108 26.698 -19.484 15.036 1.00 0.00 H new ATOM 0 HB3 LEU A 108 25.698 -20.861 15.456 1.00 0.00 H new ATOM 0 HG LEU A 108 26.895 -21.692 13.071 1.00 0.00 H new ATOM 0 HD11 LEU A 108 29.310 -21.226 13.382 1.00 0.00 H new ATOM 0 HD12 LEU A 108 28.395 -19.720 13.130 1.00 0.00 H new ATOM 0 HD13 LEU A 108 28.928 -20.174 14.766 1.00 0.00 H new ATOM 0 HD21 LEU A 108 28.244 -23.154 14.558 1.00 0.00 H new ATOM 0 HD22 LEU A 108 27.861 -22.101 15.940 1.00 0.00 H new ATOM 0 HD23 LEU A 108 26.568 -23.025 15.140 1.00 0.00 H new ATOM 1573 N SER A 109 23.192 -21.111 14.269 1.00 0.00 N ATOM 1574 CA SER A 109 22.149 -22.129 14.212 1.00 0.00 C ATOM 1575 C SER A 109 21.038 -21.722 13.254 1.00 0.00 C ATOM 1576 O SER A 109 20.243 -22.552 12.815 1.00 0.00 O ATOM 1577 CB SER A 109 21.565 -22.335 15.606 1.00 0.00 C ATOM 1578 OG SER A 109 21.622 -23.715 15.943 1.00 0.00 O ATOM 0 H SER A 109 23.096 -20.447 15.038 1.00 0.00 H new ATOM 0 HA SER A 109 22.593 -23.056 13.850 1.00 0.00 H new ATOM 0 HB2 SER A 109 22.122 -21.748 16.336 1.00 0.00 H new ATOM 0 HB3 SER A 109 20.533 -21.985 15.635 1.00 0.00 H new ATOM 0 HG SER A 109 21.249 -23.849 16.839 1.00 0.00 H new ATOM 1584 N LEU A 110 20.985 -20.439 12.947 1.00 0.00 N ATOM 1585 CA LEU A 110 19.963 -19.914 12.051 1.00 0.00 C ATOM 1586 C LEU A 110 20.505 -19.877 10.625 1.00 0.00 C ATOM 1587 O LEU A 110 19.761 -19.690 9.663 1.00 0.00 O ATOM 1588 CB LEU A 110 19.543 -18.506 12.526 1.00 0.00 C ATOM 1589 CG LEU A 110 18.409 -17.938 11.655 1.00 0.00 C ATOM 1590 CD1 LEU A 110 18.980 -17.376 10.351 1.00 0.00 C ATOM 1591 CD2 LEU A 110 17.380 -19.029 11.342 1.00 0.00 C ATOM 0 H LEU A 110 21.636 -19.739 13.303 1.00 0.00 H new ATOM 0 HA LEU A 110 19.084 -20.559 12.064 1.00 0.00 H new ATOM 0 HB2 LEU A 110 19.218 -18.552 13.565 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.402 -17.836 12.490 1.00 0.00 H new ATOM 0 HG LEU A 110 17.917 -17.136 12.205 1.00 0.00 H new ATOM 0 HD11 LEU A 110 18.170 -16.976 9.741 1.00 0.00 H new ATOM 0 HD12 LEU A 110 19.690 -16.581 10.578 1.00 0.00 H new ATOM 0 HD13 LEU A 110 19.488 -18.170 9.804 1.00 0.00 H new ATOM 0 HD21 LEU A 110 16.584 -18.612 10.725 1.00 0.00 H new ATOM 0 HD22 LEU A 110 17.866 -19.844 10.805 1.00 0.00 H new ATOM 0 HD23 LEU A 110 16.957 -19.408 12.272 1.00 0.00 H new ATOM 1603 N LEU A 111 21.814 -20.069 10.502 1.00 0.00 N ATOM 1604 CA LEU A 111 22.465 -20.067 9.195 1.00 0.00 C ATOM 1605 C LEU A 111 21.770 -21.037 8.249 1.00 0.00 C ATOM 1606 O LEU A 111 21.762 -20.844 7.033 1.00 0.00 O ATOM 1607 CB LEU A 111 23.934 -20.467 9.348 1.00 0.00 C ATOM 1608 CG LEU A 111 24.824 -19.462 8.617 1.00 0.00 C ATOM 1609 CD1 LEU A 111 26.288 -19.729 8.975 1.00 0.00 C ATOM 1610 CD2 LEU A 111 24.632 -19.615 7.106 1.00 0.00 C ATOM 0 H LEU A 111 22.444 -20.228 11.288 1.00 0.00 H new ATOM 0 HA LEU A 111 22.400 -19.062 8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 111 24.202 -20.503 10.404 1.00 0.00 H new ATOM 0 HB3 LEU A 111 24.092 -21.467 8.944 1.00 0.00 H new ATOM 0 HG LEU A 111 24.554 -18.449 8.916 1.00 0.00 H new ATOM 0 HD11 LEU A 111 26.926 -19.014 8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 111 26.425 -19.622 10.051 1.00 0.00 H new ATOM 0 HD13 LEU A 111 26.557 -20.741 8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 111 25.266 -18.899 6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 111 24.904 -20.627 6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 111 23.589 -19.429 6.851 1.00 0.00 H new ATOM 1622 N GLU A 112 21.188 -22.077 8.824 1.00 0.00 N ATOM 1623 CA GLU A 112 20.485 -23.088 8.041 1.00 0.00 C ATOM 1624 C GLU A 112 19.015 -22.725 7.897 1.00 0.00 C ATOM 1625 O GLU A 112 18.631 -21.976 6.998 1.00 0.00 O ATOM 1626 CB GLU A 112 20.604 -24.453 8.723 1.00 0.00 C ATOM 1627 CG GLU A 112 21.966 -25.070 8.400 1.00 0.00 C ATOM 1628 CD GLU A 112 22.029 -25.450 6.924 1.00 0.00 C ATOM 1629 OE1 GLU A 112 21.053 -25.989 6.430 1.00 0.00 O ATOM 1630 OE2 GLU A 112 23.051 -25.193 6.309 1.00 0.00 O ATOM 0 H GLU A 112 21.187 -22.246 9.830 1.00 0.00 H new ATOM 0 HA GLU A 112 20.939 -23.132 7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 112 20.489 -24.343 9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 112 19.805 -25.112 8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 112 22.760 -24.362 8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 112 22.131 -25.952 9.019 1.00 0.00 H new ATOM 1637 N SER A 113 18.205 -23.262 8.795 1.00 0.00 N ATOM 1638 CA SER A 113 16.774 -23.002 8.784 1.00 0.00 C ATOM 1639 C SER A 113 16.070 -23.896 7.763 1.00 0.00 C ATOM 1640 O SER A 113 16.309 -23.775 6.562 1.00 0.00 O ATOM 1641 CB SER A 113 16.532 -21.540 8.432 1.00 0.00 C ATOM 1642 OG SER A 113 15.287 -21.123 8.980 1.00 0.00 O ATOM 0 H SER A 113 18.515 -23.882 9.543 1.00 0.00 H new ATOM 0 HA SER A 113 16.370 -23.220 9.773 1.00 0.00 H new ATOM 0 HB2 SER A 113 17.340 -20.922 8.823 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.527 -21.411 7.350 1.00 0.00 H new ATOM 0 HG SER A 113 15.130 -20.182 8.756 1.00 0.00 H new ATOM 1648 N PRO A 114 15.212 -24.783 8.206 1.00 0.00 N ATOM 1649 CA PRO A 114 14.473 -25.698 7.293 1.00 0.00 C ATOM 1650 C PRO A 114 13.332 -24.988 6.570 1.00 0.00 C ATOM 1651 O PRO A 114 13.151 -23.778 6.712 1.00 0.00 O ATOM 1652 CB PRO A 114 13.940 -26.787 8.223 1.00 0.00 C ATOM 1653 CG PRO A 114 13.827 -26.150 9.570 1.00 0.00 C ATOM 1654 CD PRO A 114 14.851 -25.012 9.617 1.00 0.00 C ATOM 0 HA PRO A 114 15.110 -26.088 6.499 1.00 0.00 H new ATOM 0 HB2 PRO A 114 12.972 -27.154 7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 114 14.614 -27.643 8.250 1.00 0.00 H new ATOM 0 HG2 PRO A 114 12.819 -25.768 9.732 1.00 0.00 H new ATOM 0 HG3 PRO A 114 14.023 -26.877 10.358 1.00 0.00 H new ATOM 0 HD2 PRO A 114 14.427 -24.115 10.069 1.00 0.00 H new ATOM 0 HD3 PRO A 114 15.723 -25.287 10.210 1.00 0.00 H new ATOM 1662 N LYS A 115 12.567 -25.747 5.793 1.00 0.00 N ATOM 1663 CA LYS A 115 11.448 -25.177 5.051 1.00 0.00 C ATOM 1664 C LYS A 115 10.151 -25.902 5.394 1.00 0.00 C ATOM 1665 O LYS A 115 10.161 -27.081 5.746 1.00 0.00 O ATOM 1666 CB LYS A 115 11.712 -25.285 3.547 1.00 0.00 C ATOM 1667 CG LYS A 115 13.035 -24.597 3.209 1.00 0.00 C ATOM 1668 CD LYS A 115 12.782 -23.112 2.941 1.00 0.00 C ATOM 1669 CE LYS A 115 14.067 -22.456 2.431 1.00 0.00 C ATOM 1670 NZ LYS A 115 14.261 -22.792 0.992 1.00 0.00 N ATOM 0 H LYS A 115 12.699 -26.750 5.661 1.00 0.00 H new ATOM 0 HA LYS A 115 11.348 -24.128 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.748 -26.333 3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.897 -24.823 2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 115 13.739 -24.714 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.487 -25.064 2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.986 -22.995 2.206 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.448 -22.619 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.011 -21.375 2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.920 -22.802 3.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.262 -23.015 0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.676 -23.616 0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.981 -21.980 0.405 1.00 0.00 H new ATOM 1684 N ILE A 116 9.038 -25.186 5.288 1.00 0.00 N ATOM 1685 CA ILE A 116 7.735 -25.768 5.586 1.00 0.00 C ATOM 1686 C ILE A 116 7.117 -26.359 4.324 1.00 0.00 C ATOM 1687 O ILE A 116 7.780 -26.477 3.294 1.00 0.00 O ATOM 1688 CB ILE A 116 6.805 -24.702 6.169 1.00 0.00 C ATOM 1689 CG1 ILE A 116 7.638 -23.526 6.686 1.00 0.00 C ATOM 1690 CG2 ILE A 116 6.000 -25.302 7.322 1.00 0.00 C ATOM 1691 CD1 ILE A 116 6.714 -22.454 7.266 1.00 0.00 C ATOM 0 H ILE A 116 9.011 -24.208 5.000 1.00 0.00 H new ATOM 0 HA ILE A 116 7.869 -26.564 6.318 1.00 0.00 H new ATOM 0 HB ILE A 116 6.123 -24.352 5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 116 8.336 -23.870 7.450 1.00 0.00 H new ATOM 0 HG13 ILE A 116 8.234 -23.106 5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 116 5.338 -24.542 7.737 1.00 0.00 H new ATOM 0 HG22 ILE A 116 5.407 -26.139 6.955 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.681 -25.653 8.097 1.00 0.00 H new ATOM 0 HD11 ILE A 116 7.311 -21.619 7.633 1.00 0.00 H new ATOM 0 HD12 ILE A 116 6.034 -22.101 6.490 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.138 -22.877 8.089 1.00 0.00 H new ATOM 1703 N GLN A 117 5.843 -26.731 4.411 1.00 0.00 N ATOM 1704 CA GLN A 117 5.150 -27.313 3.267 1.00 0.00 C ATOM 1705 C GLN A 117 3.976 -26.436 2.845 1.00 0.00 C ATOM 1706 O GLN A 117 2.910 -26.939 2.485 1.00 0.00 O ATOM 1707 CB GLN A 117 4.646 -28.713 3.621 1.00 0.00 C ATOM 1708 CG GLN A 117 5.666 -29.402 4.531 1.00 0.00 C ATOM 1709 CD GLN A 117 5.133 -30.757 4.985 1.00 0.00 C ATOM 1710 OE1 GLN A 117 5.126 -31.714 4.210 1.00 0.00 O ATOM 1711 NE2 GLN A 117 4.687 -30.898 6.204 1.00 0.00 N ATOM 0 H GLN A 117 5.275 -26.641 5.253 1.00 0.00 H new ATOM 0 HA GLN A 117 5.852 -27.379 2.436 1.00 0.00 H new ATOM 0 HB2 GLN A 117 3.680 -28.649 4.122 1.00 0.00 H new ATOM 0 HB3 GLN A 117 4.497 -29.299 2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.609 -29.533 4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.873 -28.775 5.398 1.00 0.00 H new ATOM 0 HE21 GLN A 117 4.694 -30.104 6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 117 4.332 -31.802 6.516 1.00 0.00 H new ATOM 1720 N ALA A 118 4.181 -25.124 2.886 1.00 0.00 N ATOM 1721 CA ALA A 118 3.135 -24.185 2.499 1.00 0.00 C ATOM 1722 C ALA A 118 2.730 -24.410 1.047 1.00 0.00 C ATOM 1723 O ALA A 118 2.136 -25.433 0.708 1.00 0.00 O ATOM 1724 CB ALA A 118 3.628 -22.747 2.675 1.00 0.00 C ATOM 0 H ALA A 118 5.055 -24.689 3.181 1.00 0.00 H new ATOM 0 HA ALA A 118 2.269 -24.351 3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.839 -22.054 2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.892 -22.578 3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.505 -22.584 2.048 1.00 0.00 H new ATOM 1730 N ASP A 119 3.059 -23.447 0.197 1.00 0.00 N ATOM 1731 CA ASP A 119 2.730 -23.546 -1.220 1.00 0.00 C ATOM 1732 C ASP A 119 3.702 -22.720 -2.055 1.00 0.00 C ATOM 1733 O ASP A 119 4.848 -23.117 -2.267 1.00 0.00 O ATOM 1734 CB ASP A 119 1.302 -23.053 -1.464 1.00 0.00 C ATOM 1735 CG ASP A 119 1.059 -22.880 -2.959 1.00 0.00 C ATOM 1736 OD1 ASP A 119 1.357 -23.804 -3.699 1.00 0.00 O ATOM 1737 OD2 ASP A 119 0.580 -21.825 -3.344 1.00 0.00 O ATOM 0 H ASP A 119 3.550 -22.593 0.461 1.00 0.00 H new ATOM 0 HA ASP A 119 2.809 -24.592 -1.517 1.00 0.00 H new ATOM 0 HB2 ASP A 119 0.587 -23.765 -1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 119 1.142 -22.106 -0.949 1.00 0.00 H new ATOM 1742 N GLY A 120 3.234 -21.568 -2.524 1.00 0.00 N ATOM 1743 CA GLY A 120 4.065 -20.687 -3.334 1.00 0.00 C ATOM 1744 C GLY A 120 3.205 -19.721 -4.140 1.00 0.00 C ATOM 1745 O GLY A 120 3.280 -19.766 -5.357 1.00 0.00 O ATOM 0 H GLY A 120 2.288 -21.224 -2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.743 -20.127 -2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.682 -21.281 -4.008 1.00 0.00 H new TER 1749 GLY A 120