USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 744 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 80 THR OG1 : rot -80:sc= -0.47 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 61 SER OG : rot 119:sc= 0.368 USER MOD Set 2.2: A 63 CYS SG : rot 139:sc= -1.56! USER MOD Set 2.3: A 93 TYR OH : rot 63:sc= 1.69 USER MOD Set 3.1: A 5 HIS : no HD1:sc= 0.0377 K(o=0.12,f=-1) USER MOD Set 3.2: A 6 HIS :FLIP no HE2:sc= 0.0835 F(o=-0.83,f=0.12) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0159 (180deg=-0.279) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.0305 (180deg=-0.00292) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.62) USER MOD Single : A 8 HIS : no HD1:sc= -0.0452 X(o=-0.045,f=-0.26) USER MOD Single : A 9 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.25) USER MOD Single : A 10 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.84) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0.0366 K(o=0.037,f=-1.1) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.025) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -155:sc= -0.0528 (180deg=-0.53) USER MOD Single : A 37 CYS SG : rot -151:sc= 1.29 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -100:sc= -0.332 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.018) USER MOD Single : A 69 ASN : amide:sc= -6.38! C(o=-6.4!,f=-6.5!) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.217 F(o=-0.9,f=-0.22) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 40:sc= 0.864 USER MOD Single : A 85 GLN : amide:sc= -0.0915 K(o=-0.091,f=-0.71) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -30.654 8.919 -15.343 1.00 0.00 N ATOM 2 CA MET A 1 -30.576 8.998 -13.862 1.00 0.00 C ATOM 3 C MET A 1 -29.316 8.315 -13.338 1.00 0.00 C ATOM 4 O MET A 1 -28.449 7.911 -14.114 1.00 0.00 O ATOM 5 CB MET A 1 -31.822 8.333 -13.275 1.00 0.00 C ATOM 6 CG MET A 1 -32.938 9.313 -12.950 1.00 0.00 C ATOM 7 SD MET A 1 -34.471 8.937 -13.823 1.00 0.00 S ATOM 8 CE MET A 1 -34.346 10.047 -15.224 1.00 0.00 C ATOM 0 H1 MET A 1 -31.642 8.766 -15.631 1.00 0.00 H new ATOM 0 H2 MET A 1 -30.306 9.808 -15.757 1.00 0.00 H new ATOM 0 H3 MET A 1 -30.069 8.128 -15.680 1.00 0.00 H new ATOM 0 HA MET A 1 -30.530 10.044 -13.560 1.00 0.00 H new ATOM 0 HB2 MET A 1 -32.195 7.591 -13.981 1.00 0.00 H new ATOM 0 HB3 MET A 1 -31.544 7.797 -12.367 1.00 0.00 H new ATOM 0 HG2 MET A 1 -33.124 9.302 -11.876 1.00 0.00 H new ATOM 0 HG3 MET A 1 -32.616 10.322 -13.207 1.00 0.00 H new ATOM 0 HE1 MET A 1 -35.322 10.146 -15.698 1.00 0.00 H new ATOM 0 HE2 MET A 1 -34.007 11.026 -14.884 1.00 0.00 H new ATOM 0 HE3 MET A 1 -33.632 9.646 -15.943 1.00 0.00 H new ATOM 20 N GLY A 2 -29.220 8.194 -12.017 1.00 0.00 N ATOM 21 CA GLY A 2 -28.062 7.564 -11.409 1.00 0.00 C ATOM 22 C GLY A 2 -28.365 6.176 -10.879 1.00 0.00 C ATOM 23 O GLY A 2 -29.366 5.566 -11.255 1.00 0.00 O ATOM 0 H GLY A 2 -29.925 8.522 -11.356 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -27.259 7.501 -12.144 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -27.699 8.189 -10.593 1.00 0.00 H new ATOM 27 N SER A 3 -27.498 5.678 -10.002 1.00 0.00 N ATOM 28 CA SER A 3 -27.677 4.354 -9.416 1.00 0.00 C ATOM 29 C SER A 3 -28.163 4.458 -7.975 1.00 0.00 C ATOM 30 O SER A 3 -29.092 3.759 -7.570 1.00 0.00 O ATOM 31 CB SER A 3 -26.364 3.570 -9.465 1.00 0.00 C ATOM 32 OG SER A 3 -25.985 3.289 -10.801 1.00 0.00 O ATOM 0 H SER A 3 -26.665 6.172 -9.682 1.00 0.00 H new ATOM 0 HA SER A 3 -28.431 3.826 -9.999 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.577 4.142 -8.974 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.473 2.637 -8.911 1.00 0.00 H new ATOM 0 HG SER A 3 -25.142 2.789 -10.804 1.00 0.00 H new ATOM 38 N SER A 4 -27.528 5.335 -7.203 1.00 0.00 N ATOM 39 CA SER A 4 -27.894 5.532 -5.805 1.00 0.00 C ATOM 40 C SER A 4 -29.131 6.414 -5.685 1.00 0.00 C ATOM 41 O SER A 4 -29.719 6.815 -6.691 1.00 0.00 O ATOM 42 CB SER A 4 -26.732 6.164 -5.036 1.00 0.00 C ATOM 43 OG SER A 4 -26.135 5.229 -4.154 1.00 0.00 O ATOM 0 H SER A 4 -26.757 5.921 -7.523 1.00 0.00 H new ATOM 0 HA SER A 4 -28.120 4.556 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 4 -25.985 6.534 -5.739 1.00 0.00 H new ATOM 0 HB3 SER A 4 -27.091 7.024 -4.471 1.00 0.00 H new ATOM 0 HG SER A 4 -25.394 5.657 -3.676 1.00 0.00 H new ATOM 49 N HIS A 5 -29.520 6.714 -4.450 1.00 0.00 N ATOM 50 CA HIS A 5 -30.684 7.555 -4.197 1.00 0.00 C ATOM 51 C HIS A 5 -30.466 8.961 -4.743 1.00 0.00 C ATOM 52 O HIS A 5 -31.277 9.472 -5.515 1.00 0.00 O ATOM 53 CB HIS A 5 -30.978 7.618 -2.696 1.00 0.00 C ATOM 54 CG HIS A 5 -32.202 8.411 -2.357 1.00 0.00 C ATOM 55 ND1 HIS A 5 -32.154 9.777 -2.214 1.00 0.00 N ATOM 56 CD2 HIS A 5 -33.472 7.987 -2.148 1.00 0.00 C ATOM 57 CE1 HIS A 5 -33.386 10.154 -1.921 1.00 0.00 C ATOM 58 NE2 HIS A 5 -34.218 9.104 -1.870 1.00 0.00 N ATOM 0 H HIS A 5 -29.046 6.387 -3.608 1.00 0.00 H new ATOM 0 HA HIS A 5 -31.539 7.113 -4.709 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -31.095 6.604 -2.315 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -30.120 8.054 -2.184 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -33.828 6.968 -2.192 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -33.685 11.177 -1.745 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -35.217 9.131 -1.664 1.00 0.00 H new ATOM 66 N HIS A 6 -29.361 9.581 -4.339 1.00 0.00 N ATOM 67 CA HIS A 6 -29.031 10.928 -4.787 1.00 0.00 C ATOM 68 C HIS A 6 -27.554 11.035 -5.149 1.00 0.00 C ATOM 69 O HIS A 6 -26.687 10.582 -4.401 1.00 0.00 O ATOM 70 CB HIS A 6 -29.379 11.949 -3.701 1.00 0.00 C ATOM 71 CG HIS A 6 -28.744 11.657 -2.377 1.00 0.00 C ATOM 72 ND1 HIS A 6 -29.110 10.766 -1.423 1.00 0.00 N flip ATOM 73 CD2 HIS A 6 -27.619 12.327 -1.957 1.00 0.00 C flip ATOM 74 CE1 HIS A 6 -28.203 10.886 -0.404 1.00 0.00 C flip ATOM 75 NE2 HIS A 6 -27.327 11.834 -0.766 1.00 0.00 N flip ATOM 0 H HIS A 6 -28.679 9.170 -3.701 1.00 0.00 H new ATOM 0 HA HIS A 6 -29.620 11.142 -5.679 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -29.068 12.940 -4.033 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -30.461 11.979 -3.576 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -29.906 10.130 -1.458 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -27.084 13.098 -2.491 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -28.195 10.323 0.518 1.00 0.00 H new ATOM 83 N HIS A 7 -27.275 11.634 -6.302 1.00 0.00 N ATOM 84 CA HIS A 7 -25.902 11.805 -6.762 1.00 0.00 C ATOM 85 C HIS A 7 -25.315 13.114 -6.247 1.00 0.00 C ATOM 86 O HIS A 7 -25.973 13.855 -5.517 1.00 0.00 O ATOM 87 CB HIS A 7 -25.848 11.775 -8.291 1.00 0.00 C ATOM 88 CG HIS A 7 -26.824 12.704 -8.944 1.00 0.00 C ATOM 89 ND1 HIS A 7 -26.601 14.060 -8.992 1.00 0.00 N ATOM 90 CD2 HIS A 7 -28.004 12.427 -9.552 1.00 0.00 C ATOM 91 CE1 HIS A 7 -27.640 14.575 -9.625 1.00 0.00 C ATOM 92 NE2 HIS A 7 -28.515 13.623 -9.982 1.00 0.00 N ATOM 0 H HIS A 7 -27.982 12.009 -6.935 1.00 0.00 H new ATOM 0 HA HIS A 7 -25.307 10.981 -6.367 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -24.840 12.034 -8.616 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -26.042 10.758 -8.633 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -28.454 11.453 -9.674 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -27.768 15.628 -9.829 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -29.394 13.763 -10.479 1.00 0.00 H new ATOM 100 N HIS A 8 -24.074 13.392 -6.633 1.00 0.00 N ATOM 101 CA HIS A 8 -23.399 14.614 -6.210 1.00 0.00 C ATOM 102 C HIS A 8 -23.580 15.722 -7.242 1.00 0.00 C ATOM 103 O HIS A 8 -23.104 15.614 -8.373 1.00 0.00 O ATOM 104 CB HIS A 8 -21.908 14.345 -5.991 1.00 0.00 C ATOM 105 CG HIS A 8 -21.609 13.612 -4.721 1.00 0.00 C ATOM 106 ND1 HIS A 8 -22.612 13.100 -3.933 1.00 0.00 N ATOM 107 CD2 HIS A 8 -20.411 13.333 -4.149 1.00 0.00 C ATOM 108 CE1 HIS A 8 -22.010 12.525 -2.907 1.00 0.00 C ATOM 109 NE2 HIS A 8 -20.678 12.641 -2.996 1.00 0.00 N ATOM 0 H HIS A 8 -23.516 12.789 -7.237 1.00 0.00 H new ATOM 0 HA HIS A 8 -23.846 14.941 -5.271 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -21.525 13.768 -6.832 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -21.373 15.295 -5.986 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -19.437 13.603 -4.528 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -22.525 12.026 -2.100 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -19.992 12.282 -2.332 1.00 0.00 H new ATOM 117 N HIS A 9 -24.271 16.786 -6.846 1.00 0.00 N ATOM 118 CA HIS A 9 -24.512 17.915 -7.737 1.00 0.00 C ATOM 119 C HIS A 9 -23.486 19.019 -7.505 1.00 0.00 C ATOM 120 O HIS A 9 -23.656 20.146 -7.973 1.00 0.00 O ATOM 121 CB HIS A 9 -25.926 18.464 -7.531 1.00 0.00 C ATOM 122 CG HIS A 9 -26.282 18.684 -6.095 1.00 0.00 C ATOM 123 ND1 HIS A 9 -27.042 17.775 -5.397 1.00 0.00 N ATOM 124 CD2 HIS A 9 -25.963 19.717 -5.275 1.00 0.00 C ATOM 125 CE1 HIS A 9 -27.168 18.269 -4.179 1.00 0.00 C ATOM 126 NE2 HIS A 9 -26.532 19.443 -4.059 1.00 0.00 N ATOM 0 H HIS A 9 -24.674 16.890 -5.915 1.00 0.00 H new ATOM 0 HA HIS A 9 -24.414 17.562 -8.764 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -26.022 19.407 -8.069 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -26.643 17.771 -7.972 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -25.375 20.586 -5.531 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -27.714 17.788 -3.381 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -26.481 20.023 -3.221 1.00 0.00 H new ATOM 134 N HIS A 10 -22.422 18.688 -6.780 1.00 0.00 N ATOM 135 CA HIS A 10 -21.367 19.651 -6.486 1.00 0.00 C ATOM 136 C HIS A 10 -20.459 19.851 -7.696 1.00 0.00 C ATOM 137 O HIS A 10 -20.728 19.331 -8.778 1.00 0.00 O ATOM 138 CB HIS A 10 -20.543 19.183 -5.286 1.00 0.00 C ATOM 139 CG HIS A 10 -20.973 19.793 -3.989 1.00 0.00 C ATOM 140 ND1 HIS A 10 -21.540 21.045 -3.938 1.00 0.00 N ATOM 141 CD2 HIS A 10 -20.900 19.289 -2.733 1.00 0.00 C ATOM 142 CE1 HIS A 10 -21.797 21.275 -2.663 1.00 0.00 C ATOM 143 NE2 HIS A 10 -21.426 20.239 -1.897 1.00 0.00 N ATOM 0 H HIS A 10 -22.268 17.760 -6.385 1.00 0.00 H new ATOM 0 HA HIS A 10 -21.836 20.605 -6.246 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -20.613 18.098 -5.209 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -19.494 19.423 -5.460 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -20.504 18.326 -2.447 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -22.248 22.181 -2.286 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -21.518 20.171 -0.883 1.00 0.00 H new ATOM 151 N SER A 11 -19.384 20.610 -7.503 1.00 0.00 N ATOM 152 CA SER A 11 -18.439 20.880 -8.579 1.00 0.00 C ATOM 153 C SER A 11 -17.243 19.936 -8.505 1.00 0.00 C ATOM 154 O SER A 11 -16.162 20.318 -8.056 1.00 0.00 O ATOM 155 CB SER A 11 -17.962 22.333 -8.511 1.00 0.00 C ATOM 156 OG SER A 11 -19.057 23.223 -8.381 1.00 0.00 O ATOM 0 H SER A 11 -19.147 21.048 -6.613 1.00 0.00 H new ATOM 0 HA SER A 11 -18.949 20.714 -9.528 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.285 22.458 -7.666 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.396 22.576 -9.411 1.00 0.00 H new ATOM 0 HG SER A 11 -18.726 24.144 -8.338 1.00 0.00 H new ATOM 162 N SER A 12 -17.445 18.700 -8.950 1.00 0.00 N ATOM 163 CA SER A 12 -16.384 17.699 -8.940 1.00 0.00 C ATOM 164 C SER A 12 -16.350 16.931 -10.256 1.00 0.00 C ATOM 165 O SER A 12 -15.342 16.313 -10.599 1.00 0.00 O ATOM 166 CB SER A 12 -16.581 16.726 -7.775 1.00 0.00 C ATOM 167 OG SER A 12 -17.954 16.579 -7.460 1.00 0.00 O ATOM 0 H SER A 12 -18.334 18.367 -9.322 1.00 0.00 H new ATOM 0 HA SER A 12 -15.433 18.216 -8.815 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.158 15.755 -8.033 1.00 0.00 H new ATOM 0 HB3 SER A 12 -16.041 17.087 -6.900 1.00 0.00 H new ATOM 0 HG SER A 12 -18.053 15.951 -6.714 1.00 0.00 H new ATOM 173 N GLY A 13 -17.458 16.975 -10.990 1.00 0.00 N ATOM 174 CA GLY A 13 -17.534 16.282 -12.263 1.00 0.00 C ATOM 175 C GLY A 13 -17.250 17.196 -13.439 1.00 0.00 C ATOM 176 O GLY A 13 -18.169 17.764 -14.030 1.00 0.00 O ATOM 0 H GLY A 13 -18.305 17.479 -10.725 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -16.821 15.457 -12.267 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -18.526 15.846 -12.377 1.00 0.00 H new ATOM 180 N LEU A 14 -15.972 17.337 -13.779 1.00 0.00 N ATOM 181 CA LEU A 14 -15.566 18.189 -14.891 1.00 0.00 C ATOM 182 C LEU A 14 -14.794 17.390 -15.936 1.00 0.00 C ATOM 183 O LEU A 14 -14.204 16.355 -15.628 1.00 0.00 O ATOM 184 CB LEU A 14 -14.706 19.347 -14.381 1.00 0.00 C ATOM 185 CG LEU A 14 -15.342 20.183 -13.268 1.00 0.00 C ATOM 186 CD1 LEU A 14 -14.376 20.342 -12.103 1.00 0.00 C ATOM 187 CD2 LEU A 14 -15.768 21.542 -13.800 1.00 0.00 C ATOM 0 H LEU A 14 -15.200 16.872 -13.300 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.466 18.589 -15.359 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.760 18.945 -14.018 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.472 20.003 -15.219 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.230 19.662 -12.909 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.845 20.939 -11.321 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.120 19.360 -11.706 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.470 20.841 -12.447 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.218 22.123 -12.995 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.897 22.071 -14.186 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.495 21.408 -14.601 1.00 0.00 H new ATOM 199 N VAL A 15 -14.802 17.880 -17.172 1.00 0.00 N ATOM 200 CA VAL A 15 -14.103 17.211 -18.264 1.00 0.00 C ATOM 201 C VAL A 15 -12.941 18.061 -18.775 1.00 0.00 C ATOM 202 O VAL A 15 -13.018 19.290 -18.776 1.00 0.00 O ATOM 203 CB VAL A 15 -15.053 16.899 -19.435 1.00 0.00 C ATOM 204 CG1 VAL A 15 -16.013 15.780 -19.061 1.00 0.00 C ATOM 205 CG2 VAL A 15 -15.815 18.147 -19.854 1.00 0.00 C ATOM 0 H VAL A 15 -15.284 18.737 -17.442 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.716 16.274 -17.864 1.00 0.00 H new ATOM 0 HB VAL A 15 -14.455 16.565 -20.283 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -16.676 15.574 -19.901 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.447 14.881 -18.817 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.605 16.082 -18.197 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -16.481 17.906 -20.683 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -16.402 18.515 -19.012 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -15.109 18.916 -20.168 1.00 0.00 H new ATOM 215 N PRO A 16 -11.840 17.421 -19.218 1.00 0.00 N ATOM 216 CA PRO A 16 -11.702 15.960 -19.244 1.00 0.00 C ATOM 217 C PRO A 16 -11.477 15.376 -17.852 1.00 0.00 C ATOM 218 O PRO A 16 -12.078 14.365 -17.488 1.00 0.00 O ATOM 219 CB PRO A 16 -10.465 15.719 -20.126 1.00 0.00 C ATOM 220 CG PRO A 16 -10.105 17.053 -20.701 1.00 0.00 C ATOM 221 CD PRO A 16 -10.642 18.079 -19.748 1.00 0.00 C ATOM 0 HA PRO A 16 -12.605 15.479 -19.619 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.641 15.311 -19.540 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.682 14.999 -20.915 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.025 17.151 -20.810 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.538 17.179 -21.693 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.927 18.316 -18.960 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.882 19.015 -20.252 1.00 0.00 H new ATOM 229 N ARG A 17 -10.608 16.021 -17.080 1.00 0.00 N ATOM 230 CA ARG A 17 -10.303 15.567 -15.728 1.00 0.00 C ATOM 231 C ARG A 17 -10.377 16.722 -14.735 1.00 0.00 C ATOM 232 O ARG A 17 -10.698 17.852 -15.106 1.00 0.00 O ATOM 233 CB ARG A 17 -8.914 14.929 -15.684 1.00 0.00 C ATOM 234 CG ARG A 17 -8.946 13.414 -15.559 1.00 0.00 C ATOM 235 CD ARG A 17 -8.723 12.738 -16.903 1.00 0.00 C ATOM 236 NE ARG A 17 -9.939 12.102 -17.404 1.00 0.00 N ATOM 237 CZ ARG A 17 -10.122 10.785 -17.440 1.00 0.00 C ATOM 238 NH1 ARG A 17 -9.173 9.968 -17.004 1.00 0.00 N ATOM 239 NH2 ARG A 17 -11.255 10.285 -17.911 1.00 0.00 N ATOM 0 H ARG A 17 -10.103 16.859 -17.368 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.047 14.822 -15.445 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.370 15.200 -16.589 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.359 15.343 -14.842 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.179 13.090 -14.856 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.906 13.102 -15.149 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.375 13.475 -17.626 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.936 11.990 -16.807 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.690 12.702 -17.745 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.300 10.349 -16.640 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.316 8.959 -17.033 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.988 10.910 -18.246 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.394 9.275 -17.938 1.00 0.00 H new ATOM 253 N GLY A 18 -10.081 16.430 -13.473 1.00 0.00 N ATOM 254 CA GLY A 18 -10.121 17.454 -12.445 1.00 0.00 C ATOM 255 C GLY A 18 -8.737 17.937 -12.056 1.00 0.00 C ATOM 256 O GLY A 18 -7.894 18.187 -12.917 1.00 0.00 O ATOM 0 H GLY A 18 -9.814 15.502 -13.143 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.711 18.299 -12.800 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.627 17.060 -11.563 1.00 0.00 H new ATOM 260 N SER A 19 -8.504 18.068 -10.753 1.00 0.00 N ATOM 261 CA SER A 19 -7.214 18.522 -10.248 1.00 0.00 C ATOM 262 C SER A 19 -6.771 17.685 -9.053 1.00 0.00 C ATOM 263 O SER A 19 -6.122 18.187 -8.136 1.00 0.00 O ATOM 264 CB SER A 19 -7.290 19.999 -9.853 1.00 0.00 C ATOM 265 OG SER A 19 -6.204 20.730 -10.397 1.00 0.00 O ATOM 0 H SER A 19 -9.193 17.866 -10.028 1.00 0.00 H new ATOM 0 HA SER A 19 -6.478 18.403 -11.043 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.230 20.424 -10.204 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.285 20.089 -8.767 1.00 0.00 H new ATOM 0 HG SER A 19 -6.277 21.670 -10.131 1.00 0.00 H new ATOM 271 N HIS A 20 -7.127 16.404 -9.072 1.00 0.00 N ATOM 272 CA HIS A 20 -6.767 15.494 -7.989 1.00 0.00 C ATOM 273 C HIS A 20 -5.267 15.215 -7.989 1.00 0.00 C ATOM 274 O HIS A 20 -4.627 15.198 -9.040 1.00 0.00 O ATOM 275 CB HIS A 20 -7.541 14.180 -8.120 1.00 0.00 C ATOM 276 CG HIS A 20 -7.515 13.602 -9.500 1.00 0.00 C ATOM 277 ND1 HIS A 20 -8.488 13.905 -10.422 1.00 0.00 N ATOM 278 CD2 HIS A 20 -6.622 12.749 -10.060 1.00 0.00 C ATOM 279 CE1 HIS A 20 -8.169 13.236 -11.516 1.00 0.00 C ATOM 280 NE2 HIS A 20 -7.047 12.523 -11.344 1.00 0.00 N ATOM 0 H HIS A 20 -7.664 15.973 -9.824 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.030 15.971 -7.045 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.125 13.452 -7.423 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.577 14.348 -7.825 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.747 12.329 -9.587 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.740 13.261 -12.432 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -6.595 11.926 -12.037 1.00 0.00 H new ATOM 288 N MET A 21 -4.713 14.996 -6.800 1.00 0.00 N ATOM 289 CA MET A 21 -3.289 14.718 -6.658 1.00 0.00 C ATOM 290 C MET A 21 -3.060 13.441 -5.858 1.00 0.00 C ATOM 291 O MET A 21 -1.935 13.138 -5.460 1.00 0.00 O ATOM 292 CB MET A 21 -2.585 15.893 -5.976 1.00 0.00 C ATOM 293 CG MET A 21 -1.683 16.686 -6.909 1.00 0.00 C ATOM 294 SD MET A 21 -0.269 15.728 -7.485 1.00 0.00 S ATOM 295 CE MET A 21 0.993 16.998 -7.557 1.00 0.00 C ATOM 0 H MET A 21 -5.230 15.006 -5.921 1.00 0.00 H new ATOM 0 HA MET A 21 -2.871 14.580 -7.655 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.336 16.561 -5.555 1.00 0.00 H new ATOM 0 HB3 MET A 21 -1.991 15.516 -5.143 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.262 17.024 -7.768 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.327 17.578 -6.393 1.00 0.00 H new ATOM 0 HE1 MET A 21 1.931 16.560 -7.898 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.684 17.779 -8.251 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.133 17.428 -6.565 1.00 0.00 H new ATOM 305 N LYS A 22 -4.136 12.694 -5.626 1.00 0.00 N ATOM 306 CA LYS A 22 -4.053 11.447 -4.874 1.00 0.00 C ATOM 307 C LYS A 22 -4.157 10.243 -5.804 1.00 0.00 C ATOM 308 O LYS A 22 -3.701 9.148 -5.472 1.00 0.00 O ATOM 309 CB LYS A 22 -5.161 11.390 -3.821 1.00 0.00 C ATOM 310 CG LYS A 22 -4.758 11.980 -2.479 1.00 0.00 C ATOM 311 CD LYS A 22 -4.168 10.922 -1.560 1.00 0.00 C ATOM 312 CE LYS A 22 -5.238 10.273 -0.699 1.00 0.00 C ATOM 313 NZ LYS A 22 -5.194 8.786 -0.783 1.00 0.00 N ATOM 0 H LYS A 22 -5.074 12.931 -5.948 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.084 11.415 -4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.034 11.924 -4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.460 10.352 -3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.030 12.776 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.628 12.433 -2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.667 10.159 -2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.411 11.375 -0.921 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.106 10.582 0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.220 10.625 -1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.940 8.382 -0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.345 8.489 -1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.266 8.447 -0.458 1.00 0.00 H new ATOM 327 N ASN A 23 -4.756 10.455 -6.971 1.00 0.00 N ATOM 328 CA ASN A 23 -4.919 9.387 -7.952 1.00 0.00 C ATOM 329 C ASN A 23 -3.913 9.534 -9.091 1.00 0.00 C ATOM 330 O ASN A 23 -4.292 9.659 -10.256 1.00 0.00 O ATOM 331 CB ASN A 23 -6.345 9.392 -8.509 1.00 0.00 C ATOM 332 CG ASN A 23 -7.191 8.268 -7.943 1.00 0.00 C ATOM 333 OD1 ASN A 23 -8.262 8.504 -7.383 1.00 0.00 O ATOM 334 ND2 ASN A 23 -6.715 7.037 -8.091 1.00 0.00 N ATOM 0 H ASN A 23 -5.137 11.356 -7.261 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.735 8.436 -7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.817 10.348 -8.282 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.308 9.304 -9.595 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.242 6.240 -7.734 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.823 6.889 -8.562 1.00 0.00 H new ATOM 341 N ILE A 24 -2.630 9.518 -8.744 1.00 0.00 N ATOM 342 CA ILE A 24 -1.568 9.647 -9.736 1.00 0.00 C ATOM 343 C ILE A 24 -0.468 8.619 -9.496 1.00 0.00 C ATOM 344 O ILE A 24 0.328 8.326 -10.389 1.00 0.00 O ATOM 345 CB ILE A 24 -0.948 11.057 -9.720 1.00 0.00 C ATOM 346 CG1 ILE A 24 -0.541 11.444 -8.296 1.00 0.00 C ATOM 347 CG2 ILE A 24 -1.924 12.074 -10.293 1.00 0.00 C ATOM 348 CD1 ILE A 24 0.715 12.286 -8.233 1.00 0.00 C ATOM 0 H ILE A 24 -2.300 9.417 -7.784 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.023 9.471 -10.711 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.054 11.050 -10.344 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.360 11.992 -7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.390 10.537 -7.711 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.470 13.065 -10.274 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.167 11.806 -11.321 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.835 12.081 -9.695 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.943 12.522 -7.194 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.546 11.733 -8.670 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.562 13.210 -8.790 1.00 0.00 H new ATOM 360 N VAL A 25 -0.430 8.077 -8.284 1.00 0.00 N ATOM 361 CA VAL A 25 0.574 7.085 -7.920 1.00 0.00 C ATOM 362 C VAL A 25 -0.063 5.897 -7.203 1.00 0.00 C ATOM 363 O VAL A 25 -1.104 6.038 -6.560 1.00 0.00 O ATOM 364 CB VAL A 25 1.663 7.693 -7.015 1.00 0.00 C ATOM 365 CG1 VAL A 25 2.771 8.312 -7.853 1.00 0.00 C ATOM 366 CG2 VAL A 25 1.062 8.722 -6.069 1.00 0.00 C ATOM 0 H VAL A 25 -1.084 8.308 -7.536 1.00 0.00 H new ATOM 0 HA VAL A 25 1.033 6.744 -8.848 1.00 0.00 H new ATOM 0 HB VAL A 25 2.096 6.893 -6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.530 8.736 -7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.223 7.545 -8.482 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.355 9.099 -8.482 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.847 9.139 -5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.598 9.521 -6.648 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.309 8.244 -5.442 1.00 0.00 H new ATOM 376 N PRO A 26 0.556 4.706 -7.301 1.00 0.00 N ATOM 377 CA PRO A 26 0.038 3.490 -6.663 1.00 0.00 C ATOM 378 C PRO A 26 -0.142 3.655 -5.155 1.00 0.00 C ATOM 379 O PRO A 26 -1.246 3.931 -4.687 1.00 0.00 O ATOM 380 CB PRO A 26 1.105 2.435 -6.970 1.00 0.00 C ATOM 381 CG PRO A 26 1.803 2.946 -8.182 1.00 0.00 C ATOM 382 CD PRO A 26 1.796 4.443 -8.055 1.00 0.00 C ATOM 0 HA PRO A 26 -0.952 3.227 -7.037 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.796 2.316 -6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.656 1.459 -7.154 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.822 2.563 -8.238 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.293 2.628 -9.091 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.676 4.807 -7.525 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.787 4.931 -9.030 1.00 0.00 H new ATOM 390 N ASP A 27 0.954 3.504 -4.404 1.00 0.00 N ATOM 391 CA ASP A 27 0.919 3.610 -2.949 1.00 0.00 C ATOM 392 C ASP A 27 -0.309 2.905 -2.391 1.00 0.00 C ATOM 393 O ASP A 27 -1.223 3.539 -1.864 1.00 0.00 O ATOM 394 CB ASP A 27 0.965 5.077 -2.501 1.00 0.00 C ATOM 395 CG ASP A 27 -0.150 5.922 -3.092 1.00 0.00 C ATOM 396 OD1 ASP A 27 0.039 6.459 -4.203 1.00 0.00 O ATOM 397 OD2 ASP A 27 -1.203 6.061 -2.436 1.00 0.00 O ATOM 0 H ASP A 27 1.879 3.307 -4.786 1.00 0.00 H new ATOM 0 HA ASP A 27 1.805 3.116 -2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.906 5.119 -1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.926 5.506 -2.785 1.00 0.00 H new ATOM 402 N TYR A 28 -0.325 1.582 -2.520 1.00 0.00 N ATOM 403 CA TYR A 28 -1.453 0.787 -2.043 1.00 0.00 C ATOM 404 C TYR A 28 -1.108 0.100 -0.729 1.00 0.00 C ATOM 405 O TYR A 28 0.063 -0.125 -0.428 1.00 0.00 O ATOM 406 CB TYR A 28 -1.859 -0.252 -3.089 1.00 0.00 C ATOM 407 CG TYR A 28 -3.148 0.080 -3.804 1.00 0.00 C ATOM 408 CD1 TYR A 28 -4.376 -0.280 -3.264 1.00 0.00 C ATOM 409 CD2 TYR A 28 -3.138 0.754 -5.019 1.00 0.00 C ATOM 410 CE1 TYR A 28 -5.558 0.022 -3.915 1.00 0.00 C ATOM 411 CE2 TYR A 28 -4.315 1.060 -5.675 1.00 0.00 C ATOM 412 CZ TYR A 28 -5.522 0.692 -5.119 1.00 0.00 C ATOM 413 OH TYR A 28 -6.696 0.994 -5.769 1.00 0.00 O ATOM 0 H TYR A 28 0.425 1.040 -2.948 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.294 1.459 -1.874 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.060 -0.347 -3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.962 -1.223 -2.604 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.408 -0.804 -2.320 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.195 1.044 -5.458 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.505 -0.266 -3.482 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.290 1.585 -6.619 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.496 1.468 -6.603 1.00 0.00 H new ATOM 423 N ARG A 29 -2.130 -0.212 0.061 1.00 0.00 N ATOM 424 CA ARG A 29 -1.914 -0.837 1.358 1.00 0.00 C ATOM 425 C ARG A 29 -2.642 -2.172 1.476 1.00 0.00 C ATOM 426 O ARG A 29 -3.871 -2.231 1.427 1.00 0.00 O ATOM 427 CB ARG A 29 -2.365 0.097 2.487 1.00 0.00 C ATOM 428 CG ARG A 29 -3.137 1.316 2.007 1.00 0.00 C ATOM 429 CD ARG A 29 -2.940 2.501 2.938 1.00 0.00 C ATOM 430 NE ARG A 29 -4.109 2.736 3.783 1.00 0.00 N ATOM 431 CZ ARG A 29 -4.073 3.442 4.909 1.00 0.00 C ATOM 432 NH1 ARG A 29 -2.935 3.978 5.325 1.00 0.00 N ATOM 433 NH2 ARG A 29 -5.179 3.611 5.622 1.00 0.00 N ATOM 0 H ARG A 29 -3.108 -0.043 -0.173 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.844 -1.027 1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.988 -0.465 3.183 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.488 0.430 3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.810 1.583 1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.198 1.074 1.943 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.067 2.326 3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.734 3.394 2.349 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.002 2.336 3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.082 3.850 4.781 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.912 4.519 6.189 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.057 3.199 5.306 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.151 4.153 6.486 1.00 0.00 H new ATOM 447 N LEU A 30 -1.868 -3.235 1.662 1.00 0.00 N ATOM 448 CA LEU A 30 -2.418 -4.572 1.852 1.00 0.00 C ATOM 449 C LEU A 30 -2.091 -5.061 3.260 1.00 0.00 C ATOM 450 O LEU A 30 -1.133 -5.805 3.462 1.00 0.00 O ATOM 451 CB LEU A 30 -1.848 -5.539 0.802 1.00 0.00 C ATOM 452 CG LEU A 30 -2.760 -6.712 0.410 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.720 -7.798 1.475 1.00 0.00 C ATOM 454 CD2 LEU A 30 -4.188 -6.236 0.184 1.00 0.00 C ATOM 0 H LEU A 30 -0.849 -3.196 1.685 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.500 -4.535 1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.611 -4.971 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.909 -5.944 1.180 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.391 -7.132 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.372 -8.621 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.699 -8.165 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.060 -7.388 2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.815 -7.084 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.571 -5.785 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.203 -5.497 -0.617 1.00 0.00 H new ATOM 466 N ASP A 31 -2.882 -4.617 4.234 1.00 0.00 N ATOM 467 CA ASP A 31 -2.637 -4.957 5.632 1.00 0.00 C ATOM 468 C ASP A 31 -3.585 -6.049 6.115 1.00 0.00 C ATOM 469 O ASP A 31 -4.452 -5.811 6.958 1.00 0.00 O ATOM 470 CB ASP A 31 -2.786 -3.711 6.509 1.00 0.00 C ATOM 471 CG ASP A 31 -2.161 -2.481 5.881 1.00 0.00 C ATOM 472 OD1 ASP A 31 -1.090 -2.615 5.251 1.00 0.00 O ATOM 473 OD2 ASP A 31 -2.739 -1.383 6.019 1.00 0.00 O ATOM 0 H ASP A 31 -3.696 -4.022 4.081 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.618 -5.337 5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.844 -3.524 6.692 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.323 -3.895 7.478 1.00 0.00 H new ATOM 478 N MET A 32 -3.443 -7.238 5.538 1.00 0.00 N ATOM 479 CA MET A 32 -4.271 -8.379 5.917 1.00 0.00 C ATOM 480 C MET A 32 -3.431 -9.653 6.040 1.00 0.00 C ATOM 481 O MET A 32 -2.649 -9.811 6.980 1.00 0.00 O ATOM 482 CB MET A 32 -5.397 -8.577 4.898 1.00 0.00 C ATOM 483 CG MET A 32 -6.277 -7.351 4.717 1.00 0.00 C ATOM 484 SD MET A 32 -7.633 -7.630 3.562 1.00 0.00 S ATOM 485 CE MET A 32 -7.362 -6.299 2.393 1.00 0.00 C ATOM 0 H MET A 32 -2.762 -7.437 4.805 1.00 0.00 H new ATOM 0 HA MET A 32 -4.711 -8.171 6.893 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.962 -8.846 3.936 1.00 0.00 H new ATOM 0 HB3 MET A 32 -6.018 -9.416 5.213 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.684 -7.056 5.684 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.667 -6.521 4.361 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.302 -6.049 1.902 1.00 0.00 H new ATOM 0 HE2 MET A 32 -6.984 -5.423 2.920 1.00 0.00 H new ATOM 0 HE3 MET A 32 -6.635 -6.614 1.645 1.00 0.00 H new ATOM 495 N VAL A 33 -3.600 -10.563 5.083 1.00 0.00 N ATOM 496 CA VAL A 33 -2.855 -11.813 5.064 1.00 0.00 C ATOM 497 C VAL A 33 -2.287 -12.065 3.674 1.00 0.00 C ATOM 498 O VAL A 33 -2.887 -11.669 2.674 1.00 0.00 O ATOM 499 CB VAL A 33 -3.739 -13.008 5.472 1.00 0.00 C ATOM 500 CG1 VAL A 33 -2.891 -14.251 5.693 1.00 0.00 C ATOM 501 CG2 VAL A 33 -4.547 -12.677 6.718 1.00 0.00 C ATOM 0 H VAL A 33 -4.252 -10.453 4.306 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.044 -11.720 5.787 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.436 -13.212 4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.533 -15.083 5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.364 -14.500 4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.167 -14.061 6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.164 -13.533 6.989 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.870 -12.443 7.539 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.187 -11.817 6.519 1.00 0.00 H new ATOM 511 N GLY A 34 -1.122 -12.704 3.610 1.00 0.00 N ATOM 512 CA GLY A 34 -0.518 -12.985 2.319 1.00 0.00 C ATOM 513 C GLY A 34 -1.422 -13.837 1.449 1.00 0.00 C ATOM 514 O GLY A 34 -1.220 -13.939 0.238 1.00 0.00 O ATOM 0 H GLY A 34 -0.591 -13.029 4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.300 -12.047 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.433 -13.497 2.466 1.00 0.00 H new ATOM 518 N GLU A 35 -2.436 -14.431 2.071 1.00 0.00 N ATOM 519 CA GLU A 35 -3.401 -15.261 1.362 1.00 0.00 C ATOM 520 C GLU A 35 -4.122 -14.452 0.282 1.00 0.00 C ATOM 521 O GLU A 35 -4.134 -13.222 0.330 1.00 0.00 O ATOM 522 CB GLU A 35 -4.413 -15.845 2.359 1.00 0.00 C ATOM 523 CG GLU A 35 -5.743 -15.104 2.402 1.00 0.00 C ATOM 524 CD GLU A 35 -6.561 -15.445 3.633 1.00 0.00 C ATOM 525 OE1 GLU A 35 -6.092 -15.163 4.755 1.00 0.00 O ATOM 526 OE2 GLU A 35 -7.672 -15.994 3.472 1.00 0.00 O ATOM 0 H GLU A 35 -2.610 -14.351 3.073 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.869 -16.077 0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.599 -16.888 2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.972 -15.835 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.557 -14.030 2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.319 -15.347 1.509 1.00 0.00 H new ATOM 533 N PRO A 36 -4.744 -15.130 -0.703 1.00 0.00 N ATOM 534 CA PRO A 36 -5.472 -14.455 -1.784 1.00 0.00 C ATOM 535 C PRO A 36 -6.735 -13.758 -1.283 1.00 0.00 C ATOM 536 O PRO A 36 -7.847 -14.255 -1.466 1.00 0.00 O ATOM 537 CB PRO A 36 -5.830 -15.593 -2.742 1.00 0.00 C ATOM 538 CG PRO A 36 -5.845 -16.814 -1.890 1.00 0.00 C ATOM 539 CD PRO A 36 -4.785 -16.598 -0.846 1.00 0.00 C ATOM 0 HA PRO A 36 -4.877 -13.668 -2.246 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.800 -15.426 -3.211 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.098 -15.680 -3.545 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.823 -16.958 -1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.636 -17.706 -2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.041 -17.087 0.094 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.822 -16.999 -1.162 1.00 0.00 H new ATOM 547 N CYS A 37 -6.552 -12.604 -0.648 1.00 0.00 N ATOM 548 CA CYS A 37 -7.671 -11.826 -0.126 1.00 0.00 C ATOM 549 C CYS A 37 -8.523 -11.279 -1.272 1.00 0.00 C ATOM 550 O CYS A 37 -8.118 -11.348 -2.431 1.00 0.00 O ATOM 551 CB CYS A 37 -7.142 -10.676 0.737 1.00 0.00 C ATOM 552 SG CYS A 37 -7.338 -10.938 2.515 1.00 0.00 S ATOM 0 H CYS A 37 -5.636 -12.186 -0.482 1.00 0.00 H new ATOM 0 HA CYS A 37 -8.297 -12.475 0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.085 -10.527 0.517 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.658 -9.758 0.457 1.00 0.00 H new ATOM 0 HG CYS A 37 -7.466 -9.790 3.111 1.00 0.00 H new ATOM 558 N PRO A 38 -9.721 -10.734 -0.975 1.00 0.00 N ATOM 559 CA PRO A 38 -10.606 -10.179 -2.007 1.00 0.00 C ATOM 560 C PRO A 38 -9.890 -9.170 -2.903 1.00 0.00 C ATOM 561 O PRO A 38 -10.058 -9.181 -4.122 1.00 0.00 O ATOM 562 CB PRO A 38 -11.708 -9.490 -1.200 1.00 0.00 C ATOM 563 CG PRO A 38 -11.732 -10.213 0.101 1.00 0.00 C ATOM 564 CD PRO A 38 -10.309 -10.615 0.375 1.00 0.00 C ATOM 0 HA PRO A 38 -10.975 -10.950 -2.684 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.493 -8.431 -1.060 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.670 -9.556 -1.707 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.117 -9.574 0.896 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.382 -11.087 0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.789 -9.868 0.975 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.256 -11.557 0.921 1.00 0.00 H new ATOM 572 N TYR A 39 -9.090 -8.301 -2.288 1.00 0.00 N ATOM 573 CA TYR A 39 -8.342 -7.288 -3.030 1.00 0.00 C ATOM 574 C TYR A 39 -6.890 -7.224 -2.554 1.00 0.00 C ATOM 575 O TYR A 39 -6.498 -6.291 -1.853 1.00 0.00 O ATOM 576 CB TYR A 39 -9.004 -5.916 -2.872 1.00 0.00 C ATOM 577 CG TYR A 39 -10.494 -5.921 -3.135 1.00 0.00 C ATOM 578 CD1 TYR A 39 -10.991 -6.104 -4.419 1.00 0.00 C ATOM 579 CD2 TYR A 39 -11.403 -5.739 -2.099 1.00 0.00 C ATOM 580 CE1 TYR A 39 -12.351 -6.107 -4.664 1.00 0.00 C ATOM 581 CE2 TYR A 39 -12.764 -5.741 -2.336 1.00 0.00 C ATOM 582 CZ TYR A 39 -13.234 -5.926 -3.620 1.00 0.00 C ATOM 583 OH TYR A 39 -14.589 -5.928 -3.859 1.00 0.00 O ATOM 0 H TYR A 39 -8.943 -8.278 -1.279 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.348 -7.567 -4.084 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.825 -5.551 -1.861 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -8.527 -5.212 -3.554 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -10.303 -6.246 -5.239 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -11.039 -5.594 -1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -12.721 -6.250 -5.669 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -13.457 -5.598 -1.520 1.00 0.00 H new ATOM 0 HH TYR A 39 -15.070 -5.789 -3.017 1.00 0.00 H new ATOM 593 N PRO A 40 -6.068 -8.218 -2.939 1.00 0.00 N ATOM 594 CA PRO A 40 -4.669 -8.298 -2.540 1.00 0.00 C ATOM 595 C PRO A 40 -3.724 -7.721 -3.591 1.00 0.00 C ATOM 596 O PRO A 40 -4.002 -6.677 -4.183 1.00 0.00 O ATOM 597 CB PRO A 40 -4.476 -9.805 -2.413 1.00 0.00 C ATOM 598 CG PRO A 40 -5.350 -10.389 -3.480 1.00 0.00 C ATOM 599 CD PRO A 40 -6.445 -9.381 -3.758 1.00 0.00 C ATOM 0 HA PRO A 40 -4.449 -7.728 -1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.433 -10.085 -2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.767 -10.160 -1.424 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.774 -10.591 -4.383 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.774 -11.339 -3.154 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.494 -9.126 -4.817 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.425 -9.767 -3.477 1.00 0.00 H new ATOM 607 N ALA A 41 -2.624 -8.430 -3.844 1.00 0.00 N ATOM 608 CA ALA A 41 -1.628 -8.004 -4.827 1.00 0.00 C ATOM 609 C ALA A 41 -2.243 -7.752 -6.201 1.00 0.00 C ATOM 610 O ALA A 41 -1.556 -7.290 -7.110 1.00 0.00 O ATOM 611 CB ALA A 41 -0.521 -9.041 -4.947 1.00 0.00 C ATOM 0 H ALA A 41 -2.399 -9.309 -3.378 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.212 -7.062 -4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.211 -8.708 -5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.033 -9.166 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.947 -9.993 -5.264 1.00 0.00 H new ATOM 617 N VAL A 42 -3.524 -8.079 -6.361 1.00 0.00 N ATOM 618 CA VAL A 42 -4.208 -7.864 -7.632 1.00 0.00 C ATOM 619 C VAL A 42 -3.952 -6.447 -8.141 1.00 0.00 C ATOM 620 O VAL A 42 -3.878 -6.211 -9.347 1.00 0.00 O ATOM 621 CB VAL A 42 -5.726 -8.102 -7.506 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.445 -7.718 -8.792 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.009 -9.553 -7.149 1.00 0.00 C ATOM 0 H VAL A 42 -4.105 -8.491 -5.631 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.807 -8.585 -8.345 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.104 -7.467 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.514 -7.895 -8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.273 -6.663 -9.004 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.063 -8.321 -9.616 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.085 -9.704 -7.064 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.612 -10.204 -7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.533 -9.793 -6.198 1.00 0.00 H new ATOM 633 N ALA A 43 -3.799 -5.510 -7.207 1.00 0.00 N ATOM 634 CA ALA A 43 -3.504 -4.126 -7.553 1.00 0.00 C ATOM 635 C ALA A 43 -2.066 -3.992 -8.042 1.00 0.00 C ATOM 636 O ALA A 43 -1.784 -3.260 -8.989 1.00 0.00 O ATOM 637 CB ALA A 43 -3.748 -3.217 -6.358 1.00 0.00 C ATOM 0 H ALA A 43 -3.875 -5.687 -6.205 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.171 -3.822 -8.360 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.523 -2.186 -6.633 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.791 -3.291 -6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.105 -3.521 -5.532 1.00 0.00 H new ATOM 643 N THR A 44 -1.161 -4.718 -7.388 1.00 0.00 N ATOM 644 CA THR A 44 0.252 -4.704 -7.750 1.00 0.00 C ATOM 645 C THR A 44 0.455 -5.211 -9.175 1.00 0.00 C ATOM 646 O THR A 44 1.173 -4.599 -9.968 1.00 0.00 O ATOM 647 CB THR A 44 1.055 -5.563 -6.774 1.00 0.00 C ATOM 648 OG1 THR A 44 0.411 -5.621 -5.514 1.00 0.00 O ATOM 649 CG2 THR A 44 2.463 -5.057 -6.548 1.00 0.00 C ATOM 0 H THR A 44 -1.385 -5.326 -6.600 1.00 0.00 H new ATOM 0 HA THR A 44 0.605 -3.674 -7.697 1.00 0.00 H new ATOM 0 HB THR A 44 1.112 -6.549 -7.235 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.842 -4.993 -4.897 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.977 -5.713 -5.845 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.002 -5.047 -7.495 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.426 -4.047 -6.141 1.00 0.00 H new ATOM 657 N LEU A 45 -0.177 -6.338 -9.490 1.00 0.00 N ATOM 658 CA LEU A 45 -0.067 -6.933 -10.816 1.00 0.00 C ATOM 659 C LEU A 45 -0.526 -5.954 -11.892 1.00 0.00 C ATOM 660 O LEU A 45 0.183 -5.712 -12.869 1.00 0.00 O ATOM 661 CB LEU A 45 -0.895 -8.218 -10.892 1.00 0.00 C ATOM 662 CG LEU A 45 -0.249 -9.447 -10.248 1.00 0.00 C ATOM 663 CD1 LEU A 45 -1.209 -10.627 -10.271 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.052 -9.801 -10.956 1.00 0.00 C ATOM 0 H LEU A 45 -0.771 -6.857 -8.843 1.00 0.00 H new ATOM 0 HA LEU A 45 0.981 -7.173 -10.993 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.858 -8.040 -10.413 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.097 -8.440 -11.940 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.020 -9.210 -9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.733 -11.492 -9.809 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.113 -10.372 -9.718 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.470 -10.864 -11.303 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.496 -10.677 -10.484 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.848 -10.018 -12.005 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.744 -8.962 -10.887 1.00 0.00 H new ATOM 676 N GLU A 46 -1.716 -5.391 -11.703 1.00 0.00 N ATOM 677 CA GLU A 46 -2.266 -4.432 -12.655 1.00 0.00 C ATOM 678 C GLU A 46 -1.517 -3.107 -12.581 1.00 0.00 C ATOM 679 O GLU A 46 -1.672 -2.244 -13.445 1.00 0.00 O ATOM 680 CB GLU A 46 -3.758 -4.210 -12.387 1.00 0.00 C ATOM 681 CG GLU A 46 -4.048 -3.545 -11.051 1.00 0.00 C ATOM 682 CD GLU A 46 -5.410 -2.880 -11.014 1.00 0.00 C ATOM 683 OE1 GLU A 46 -6.415 -3.568 -11.291 1.00 0.00 O ATOM 684 OE2 GLU A 46 -5.471 -1.670 -10.707 1.00 0.00 O ATOM 0 H GLU A 46 -2.317 -5.582 -10.901 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.145 -4.841 -13.658 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.174 -3.596 -13.186 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.271 -5.171 -12.423 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.990 -4.291 -10.258 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.279 -2.801 -10.845 1.00 0.00 H new ATOM 691 N ALA A 47 -0.719 -2.944 -11.529 1.00 0.00 N ATOM 692 CA ALA A 47 0.065 -1.728 -11.346 1.00 0.00 C ATOM 693 C ALA A 47 1.233 -1.675 -12.325 1.00 0.00 C ATOM 694 O ALA A 47 1.698 -0.594 -12.686 1.00 0.00 O ATOM 695 CB ALA A 47 0.568 -1.630 -9.913 1.00 0.00 C ATOM 0 H ALA A 47 -0.599 -3.638 -10.792 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.583 -0.876 -11.548 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.151 -0.717 -9.794 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.281 -1.610 -9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.195 -2.493 -9.688 1.00 0.00 H new ATOM 701 N MET A 48 1.706 -2.848 -12.745 1.00 0.00 N ATOM 702 CA MET A 48 2.835 -2.935 -13.670 1.00 0.00 C ATOM 703 C MET A 48 2.657 -1.987 -14.859 1.00 0.00 C ATOM 704 O MET A 48 3.517 -1.144 -15.109 1.00 0.00 O ATOM 705 CB MET A 48 3.027 -4.375 -14.155 1.00 0.00 C ATOM 706 CG MET A 48 4.354 -4.983 -13.737 1.00 0.00 C ATOM 707 SD MET A 48 5.767 -4.109 -14.439 1.00 0.00 S ATOM 708 CE MET A 48 5.989 -5.002 -15.976 1.00 0.00 C ATOM 0 H MET A 48 1.325 -3.750 -12.460 1.00 0.00 H new ATOM 0 HA MET A 48 3.730 -2.628 -13.129 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.216 -4.992 -13.768 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.953 -4.397 -15.242 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.428 -4.972 -12.650 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.386 -6.027 -14.048 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.829 -4.577 -16.525 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.189 -6.052 -15.761 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.084 -4.921 -16.578 1.00 0.00 H new ATOM 718 N PRO A 49 1.536 -2.089 -15.606 1.00 0.00 N ATOM 719 CA PRO A 49 1.279 -1.198 -16.738 1.00 0.00 C ATOM 720 C PRO A 49 0.891 0.202 -16.274 1.00 0.00 C ATOM 721 O PRO A 49 1.279 1.201 -16.880 1.00 0.00 O ATOM 722 CB PRO A 49 0.112 -1.870 -17.460 1.00 0.00 C ATOM 723 CG PRO A 49 -0.614 -2.611 -16.391 1.00 0.00 C ATOM 724 CD PRO A 49 0.429 -3.046 -15.397 1.00 0.00 C ATOM 0 HA PRO A 49 2.157 -1.062 -17.369 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.533 -1.135 -17.941 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.464 -2.544 -18.241 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.362 -1.976 -15.917 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.141 -3.471 -16.803 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.051 -3.003 -14.376 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.749 -4.073 -15.576 1.00 0.00 H new ATOM 732 N GLN A 50 0.129 0.261 -15.184 1.00 0.00 N ATOM 733 CA GLN A 50 -0.310 1.531 -14.616 1.00 0.00 C ATOM 734 C GLN A 50 0.844 2.259 -13.929 1.00 0.00 C ATOM 735 O GLN A 50 0.650 3.326 -13.344 1.00 0.00 O ATOM 736 CB GLN A 50 -1.442 1.296 -13.615 1.00 0.00 C ATOM 737 CG GLN A 50 -2.348 2.500 -13.423 1.00 0.00 C ATOM 738 CD GLN A 50 -3.396 2.276 -12.351 1.00 0.00 C ATOM 739 OE1 GLN A 50 -3.125 1.654 -11.322 1.00 0.00 O ATOM 740 NE2 GLN A 50 -4.602 2.777 -12.587 1.00 0.00 N ATOM 0 H GLN A 50 -0.198 -0.561 -14.675 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.671 2.156 -15.432 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.042 0.451 -13.951 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.012 1.019 -12.652 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.743 3.367 -13.159 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.842 2.732 -14.366 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.783 3.285 -13.453 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.348 2.654 -11.903 1.00 0.00 H new ATOM 749 N LEU A 51 2.038 1.673 -13.994 1.00 0.00 N ATOM 750 CA LEU A 51 3.220 2.256 -13.365 1.00 0.00 C ATOM 751 C LEU A 51 3.344 3.742 -13.690 1.00 0.00 C ATOM 752 O LEU A 51 2.864 4.205 -14.725 1.00 0.00 O ATOM 753 CB LEU A 51 4.478 1.506 -13.816 1.00 0.00 C ATOM 754 CG LEU A 51 5.217 2.119 -15.011 1.00 0.00 C ATOM 755 CD1 LEU A 51 6.549 2.706 -14.571 1.00 0.00 C ATOM 756 CD2 LEU A 51 5.423 1.078 -16.100 1.00 0.00 C ATOM 0 H LEU A 51 2.212 0.792 -14.478 1.00 0.00 H new ATOM 0 HA LEU A 51 3.113 2.158 -12.285 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.168 1.450 -12.974 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.199 0.483 -14.069 1.00 0.00 H new ATOM 0 HG LEU A 51 4.606 2.925 -15.418 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.059 3.137 -15.433 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.376 3.483 -13.826 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.168 1.920 -14.138 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.949 1.530 -16.941 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.013 0.251 -15.706 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.455 0.706 -16.435 1.00 0.00 H new ATOM 768 N LYS A 52 3.987 4.486 -12.795 1.00 0.00 N ATOM 769 CA LYS A 52 4.171 5.920 -12.986 1.00 0.00 C ATOM 770 C LYS A 52 5.597 6.341 -12.645 1.00 0.00 C ATOM 771 O LYS A 52 6.481 5.500 -12.481 1.00 0.00 O ATOM 772 CB LYS A 52 3.176 6.703 -12.125 1.00 0.00 C ATOM 773 CG LYS A 52 1.835 6.948 -12.802 1.00 0.00 C ATOM 774 CD LYS A 52 1.991 7.729 -14.100 1.00 0.00 C ATOM 775 CE LYS A 52 2.413 9.167 -13.844 1.00 0.00 C ATOM 776 NZ LYS A 52 3.158 9.740 -15.000 1.00 0.00 N ATOM 0 H LYS A 52 4.389 4.120 -11.932 1.00 0.00 H new ATOM 0 HA LYS A 52 3.989 6.145 -14.037 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.009 6.159 -11.195 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.618 7.663 -11.858 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.352 5.993 -13.008 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.181 7.496 -12.124 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.732 7.240 -14.732 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.048 7.718 -14.647 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.530 9.774 -13.643 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.038 9.209 -12.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.428 10.721 -14.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.014 9.176 -15.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.553 9.724 -15.846 1.00 0.00 H new ATOM 790 N LYS A 53 5.812 7.649 -12.541 1.00 0.00 N ATOM 791 CA LYS A 53 7.131 8.186 -12.225 1.00 0.00 C ATOM 792 C LYS A 53 7.349 8.260 -10.717 1.00 0.00 C ATOM 793 O LYS A 53 7.885 9.243 -10.205 1.00 0.00 O ATOM 794 CB LYS A 53 7.297 9.575 -12.845 1.00 0.00 C ATOM 795 CG LYS A 53 8.104 9.575 -14.133 1.00 0.00 C ATOM 796 CD LYS A 53 8.317 10.987 -14.655 1.00 0.00 C ATOM 797 CE LYS A 53 9.789 11.272 -14.904 1.00 0.00 C ATOM 798 NZ LYS A 53 10.227 10.800 -16.247 1.00 0.00 N ATOM 0 H LYS A 53 5.089 8.357 -12.671 1.00 0.00 H new ATOM 0 HA LYS A 53 7.878 7.513 -12.645 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.311 9.995 -13.044 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.783 10.231 -12.122 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.070 9.100 -13.959 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.588 8.981 -14.887 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.757 11.122 -15.581 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.923 11.705 -13.936 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.971 12.343 -14.819 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.388 10.785 -14.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.237 11.013 -16.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.078 9.773 -16.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.673 11.284 -16.983 1.00 0.00 H new ATOM 812 N GLY A 54 6.936 7.212 -10.010 1.00 0.00 N ATOM 813 CA GLY A 54 7.097 7.180 -8.568 1.00 0.00 C ATOM 814 C GLY A 54 6.125 6.231 -7.895 1.00 0.00 C ATOM 815 O GLY A 54 5.375 6.629 -7.003 1.00 0.00 O ATOM 0 H GLY A 54 6.493 6.385 -10.410 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.117 6.881 -8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.955 8.184 -8.168 1.00 0.00 H new ATOM 819 N GLU A 55 6.140 4.973 -8.321 1.00 0.00 N ATOM 820 CA GLU A 55 5.252 3.965 -7.757 1.00 0.00 C ATOM 821 C GLU A 55 5.686 3.582 -6.348 1.00 0.00 C ATOM 822 O GLU A 55 6.854 3.723 -5.992 1.00 0.00 O ATOM 823 CB GLU A 55 5.211 2.726 -8.658 1.00 0.00 C ATOM 824 CG GLU A 55 6.223 1.653 -8.293 1.00 0.00 C ATOM 825 CD GLU A 55 6.746 0.903 -9.504 1.00 0.00 C ATOM 826 OE1 GLU A 55 6.622 1.432 -10.629 1.00 0.00 O ATOM 827 OE2 GLU A 55 7.282 -0.210 -9.327 1.00 0.00 O ATOM 0 H GLU A 55 6.758 4.627 -9.055 1.00 0.00 H new ATOM 0 HA GLU A 55 4.250 4.390 -7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.211 2.294 -8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.383 3.035 -9.689 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.060 2.113 -7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.763 0.945 -7.604 1.00 0.00 H new ATOM 834 N ILE A 56 4.734 3.102 -5.554 1.00 0.00 N ATOM 835 CA ILE A 56 5.006 2.699 -4.179 1.00 0.00 C ATOM 836 C ILE A 56 3.942 1.719 -3.682 1.00 0.00 C ATOM 837 O ILE A 56 2.803 1.719 -4.154 1.00 0.00 O ATOM 838 CB ILE A 56 5.072 3.929 -3.233 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.472 4.545 -3.253 1.00 0.00 C ATOM 840 CG2 ILE A 56 4.697 3.550 -1.807 1.00 0.00 C ATOM 841 CD1 ILE A 56 6.469 6.055 -3.363 1.00 0.00 C ATOM 0 H ILE A 56 3.763 2.982 -5.841 1.00 0.00 H new ATOM 0 HA ILE A 56 5.977 2.204 -4.169 1.00 0.00 H new ATOM 0 HB ILE A 56 4.352 4.663 -3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.000 4.256 -2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.031 4.129 -4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.753 4.432 -1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.682 3.154 -1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.388 2.792 -1.438 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.496 6.421 -3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.970 6.352 -4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.939 6.481 -2.511 1.00 0.00 H new ATOM 853 N LEU A 57 4.327 0.872 -2.740 1.00 0.00 N ATOM 854 CA LEU A 57 3.408 -0.086 -2.155 1.00 0.00 C ATOM 855 C LEU A 57 3.699 -0.272 -0.698 1.00 0.00 C ATOM 856 O LEU A 57 4.823 -0.060 -0.242 1.00 0.00 O ATOM 857 CB LEU A 57 3.517 -1.438 -2.836 1.00 0.00 C ATOM 858 CG LEU A 57 2.338 -2.384 -2.601 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.085 -1.849 -3.276 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.666 -3.780 -3.107 1.00 0.00 C ATOM 0 H LEU A 57 5.274 0.830 -2.364 1.00 0.00 H new ATOM 0 HA LEU A 57 2.402 0.311 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.626 -1.279 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.428 -1.927 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 57 2.151 -2.444 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.256 -2.534 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.841 -0.869 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.259 -1.760 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.816 -4.440 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.879 -3.739 -4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.538 -4.163 -2.577 1.00 0.00 H new ATOM 872 N GLU A 58 2.695 -0.711 0.030 1.00 0.00 N ATOM 873 CA GLU A 58 2.876 -0.982 1.427 1.00 0.00 C ATOM 874 C GLU A 58 2.004 -2.151 1.862 1.00 0.00 C ATOM 875 O GLU A 58 0.780 -2.034 1.918 1.00 0.00 O ATOM 876 CB GLU A 58 2.565 0.262 2.268 1.00 0.00 C ATOM 877 CG GLU A 58 2.498 1.557 1.464 1.00 0.00 C ATOM 878 CD GLU A 58 1.449 2.517 1.992 1.00 0.00 C ATOM 879 OE1 GLU A 58 0.306 2.074 2.229 1.00 0.00 O ATOM 880 OE2 GLU A 58 1.772 3.710 2.169 1.00 0.00 O ATOM 0 H GLU A 58 1.755 -0.885 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 58 3.920 -1.251 1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.613 0.114 2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.327 0.365 3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.473 2.043 1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.279 1.323 0.422 1.00 0.00 H new ATOM 887 N VAL A 59 2.632 -3.286 2.146 1.00 0.00 N ATOM 888 CA VAL A 59 1.894 -4.483 2.523 1.00 0.00 C ATOM 889 C VAL A 59 2.303 -5.013 3.893 1.00 0.00 C ATOM 890 O VAL A 59 3.476 -5.282 4.144 1.00 0.00 O ATOM 891 CB VAL A 59 2.081 -5.604 1.491 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.289 -6.835 1.905 1.00 0.00 C ATOM 893 CG2 VAL A 59 1.666 -5.128 0.108 1.00 0.00 C ATOM 0 H VAL A 59 3.645 -3.401 2.122 1.00 0.00 H new ATOM 0 HA VAL A 59 0.846 -4.184 2.561 1.00 0.00 H new ATOM 0 HB VAL A 59 3.136 -5.874 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.429 -7.623 1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.639 -7.183 2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.231 -6.582 1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.805 -5.935 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.617 -4.833 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.278 -4.274 -0.182 1.00 0.00 H new ATOM 903 N VAL A 60 1.308 -5.217 4.748 1.00 0.00 N ATOM 904 CA VAL A 60 1.522 -5.797 6.068 1.00 0.00 C ATOM 905 C VAL A 60 0.554 -6.955 6.271 1.00 0.00 C ATOM 906 O VAL A 60 -0.637 -6.749 6.506 1.00 0.00 O ATOM 907 CB VAL A 60 1.330 -4.765 7.197 1.00 0.00 C ATOM 908 CG1 VAL A 60 2.187 -5.131 8.398 1.00 0.00 C ATOM 909 CG2 VAL A 60 1.657 -3.361 6.708 1.00 0.00 C ATOM 0 H VAL A 60 0.335 -4.986 4.547 1.00 0.00 H new ATOM 0 HA VAL A 60 2.554 -6.146 6.113 1.00 0.00 H new ATOM 0 HB VAL A 60 0.284 -4.779 7.502 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.041 -4.394 9.187 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.898 -6.116 8.764 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.237 -5.146 8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.514 -2.650 7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.693 -3.325 6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.998 -3.102 5.880 1.00 0.00 H new ATOM 919 N SER A 61 1.044 -8.173 6.107 1.00 0.00 N ATOM 920 CA SER A 61 0.185 -9.338 6.205 1.00 0.00 C ATOM 921 C SER A 61 0.711 -10.350 7.211 1.00 0.00 C ATOM 922 O SER A 61 1.690 -10.103 7.914 1.00 0.00 O ATOM 923 CB SER A 61 0.045 -9.999 4.833 1.00 0.00 C ATOM 924 OG SER A 61 1.177 -9.737 4.021 1.00 0.00 O ATOM 0 H SER A 61 2.023 -8.378 5.907 1.00 0.00 H new ATOM 0 HA SER A 61 -0.790 -8.999 6.554 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.077 -11.075 4.955 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.854 -9.630 4.339 1.00 0.00 H new ATOM 0 HG SER A 61 1.612 -10.582 3.783 1.00 0.00 H new ATOM 930 N ASP A 62 0.060 -11.504 7.240 1.00 0.00 N ATOM 931 CA ASP A 62 0.435 -12.580 8.139 1.00 0.00 C ATOM 932 C ASP A 62 0.864 -13.808 7.346 1.00 0.00 C ATOM 933 O ASP A 62 0.057 -14.426 6.647 1.00 0.00 O ATOM 934 CB ASP A 62 -0.732 -12.937 9.055 1.00 0.00 C ATOM 935 CG ASP A 62 -0.390 -12.772 10.522 1.00 0.00 C ATOM 936 OD1 ASP A 62 0.505 -13.495 11.008 1.00 0.00 O ATOM 937 OD2 ASP A 62 -1.020 -11.921 11.186 1.00 0.00 O ATOM 0 H ASP A 62 -0.739 -11.718 6.643 1.00 0.00 H new ATOM 0 HA ASP A 62 1.273 -12.242 8.749 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.587 -12.306 8.811 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.033 -13.968 8.869 1.00 0.00 H new ATOM 942 N CYS A 63 2.161 -14.092 7.392 1.00 0.00 N ATOM 943 CA CYS A 63 2.735 -15.243 6.702 1.00 0.00 C ATOM 944 C CYS A 63 4.087 -15.601 7.322 1.00 0.00 C ATOM 945 O CYS A 63 5.129 -15.441 6.686 1.00 0.00 O ATOM 946 CB CYS A 63 2.905 -14.962 5.201 1.00 0.00 C ATOM 947 SG CYS A 63 2.068 -13.472 4.608 1.00 0.00 S ATOM 0 H CYS A 63 2.842 -13.534 7.906 1.00 0.00 H new ATOM 0 HA CYS A 63 2.050 -16.083 6.815 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.969 -14.876 4.980 1.00 0.00 H new ATOM 0 HB3 CYS A 63 2.531 -15.819 4.641 1.00 0.00 H new ATOM 0 HG CYS A 63 2.838 -12.847 3.767 1.00 0.00 H new ATOM 953 N PRO A 64 4.091 -16.050 8.595 1.00 0.00 N ATOM 954 CA PRO A 64 5.321 -16.413 9.307 1.00 0.00 C ATOM 955 C PRO A 64 6.235 -17.291 8.463 1.00 0.00 C ATOM 956 O PRO A 64 7.241 -16.823 7.930 1.00 0.00 O ATOM 957 CB PRO A 64 4.823 -17.180 10.544 1.00 0.00 C ATOM 958 CG PRO A 64 3.353 -17.370 10.345 1.00 0.00 C ATOM 959 CD PRO A 64 2.907 -16.265 9.433 1.00 0.00 C ATOM 0 HA PRO A 64 5.917 -15.535 9.557 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.331 -18.139 10.639 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.024 -16.621 11.458 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.143 -18.345 9.906 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.823 -17.327 11.296 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.038 -16.553 8.842 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.633 -15.367 9.987 1.00 0.00 H new ATOM 967 N GLN A 65 5.873 -18.560 8.334 1.00 0.00 N ATOM 968 CA GLN A 65 6.644 -19.494 7.527 1.00 0.00 C ATOM 969 C GLN A 65 6.091 -19.544 6.108 1.00 0.00 C ATOM 970 O GLN A 65 6.277 -20.528 5.391 1.00 0.00 O ATOM 971 CB GLN A 65 6.613 -20.891 8.152 1.00 0.00 C ATOM 972 CG GLN A 65 7.740 -21.141 9.142 1.00 0.00 C ATOM 973 CD GLN A 65 7.688 -22.529 9.748 1.00 0.00 C ATOM 974 OE1 GLN A 65 8.679 -23.261 9.741 1.00 0.00 O ATOM 975 NE2 GLN A 65 6.528 -22.899 10.281 1.00 0.00 N ATOM 0 H GLN A 65 5.050 -18.966 8.778 1.00 0.00 H new ATOM 0 HA GLN A 65 7.678 -19.150 7.491 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.658 -21.032 8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.666 -21.636 7.358 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.697 -21.004 8.639 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.690 -20.399 9.939 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.733 -22.261 10.265 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.433 -23.821 10.706 1.00 0.00 H new ATOM 984 N SER A 66 5.403 -18.475 5.712 1.00 0.00 N ATOM 985 CA SER A 66 4.802 -18.404 4.387 1.00 0.00 C ATOM 986 C SER A 66 5.358 -17.241 3.577 1.00 0.00 C ATOM 987 O SER A 66 5.600 -16.156 4.107 1.00 0.00 O ATOM 988 CB SER A 66 3.283 -18.281 4.498 1.00 0.00 C ATOM 989 OG SER A 66 2.686 -19.540 4.762 1.00 0.00 O ATOM 0 H SER A 66 5.249 -17.649 6.290 1.00 0.00 H new ATOM 0 HA SER A 66 5.053 -19.327 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.029 -17.581 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.880 -17.871 3.572 1.00 0.00 H new ATOM 0 HG SER A 66 1.714 -19.433 4.830 1.00 0.00 H new ATOM 995 N ILE A 67 5.553 -17.480 2.284 1.00 0.00 N ATOM 996 CA ILE A 67 6.063 -16.454 1.386 1.00 0.00 C ATOM 997 C ILE A 67 4.992 -16.022 0.390 1.00 0.00 C ATOM 998 O ILE A 67 5.101 -16.268 -0.812 1.00 0.00 O ATOM 999 CB ILE A 67 7.308 -16.931 0.616 1.00 0.00 C ATOM 1000 CG1 ILE A 67 8.322 -17.561 1.573 1.00 0.00 C ATOM 1001 CG2 ILE A 67 7.933 -15.764 -0.132 1.00 0.00 C ATOM 1002 CD1 ILE A 67 9.244 -18.560 0.907 1.00 0.00 C ATOM 0 H ILE A 67 5.365 -18.377 1.836 1.00 0.00 H new ATOM 0 HA ILE A 67 6.346 -15.605 2.008 1.00 0.00 H new ATOM 0 HB ILE A 67 7.006 -17.689 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.922 -16.771 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.786 -18.057 2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.813 -16.109 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.210 -15.355 -0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.225 -14.991 0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.935 -18.966 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.654 -19.370 0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.807 -18.064 0.116 1.00 0.00 H new ATOM 1014 N ASN A 68 3.948 -15.390 0.907 1.00 0.00 N ATOM 1015 CA ASN A 68 2.867 -14.880 0.075 1.00 0.00 C ATOM 1016 C ASN A 68 3.060 -13.388 -0.145 1.00 0.00 C ATOM 1017 O ASN A 68 2.164 -12.580 0.106 1.00 0.00 O ATOM 1018 CB ASN A 68 1.512 -15.155 0.728 1.00 0.00 C ATOM 1019 CG ASN A 68 1.271 -16.632 0.962 1.00 0.00 C ATOM 1020 OD1 ASN A 68 1.398 -17.446 0.047 1.00 0.00 O ATOM 1021 ND2 ASN A 68 0.921 -16.986 2.193 1.00 0.00 N ATOM 0 H ASN A 68 3.826 -15.217 1.905 1.00 0.00 H new ATOM 0 HA ASN A 68 2.886 -15.389 -0.888 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.456 -14.626 1.679 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.719 -14.756 0.095 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.746 -17.967 2.411 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.828 -16.277 2.920 1.00 0.00 H new ATOM 1028 N ASN A 69 4.263 -13.035 -0.576 1.00 0.00 N ATOM 1029 CA ASN A 69 4.648 -11.646 -0.763 1.00 0.00 C ATOM 1030 C ASN A 69 3.881 -10.972 -1.892 1.00 0.00 C ATOM 1031 O ASN A 69 4.017 -11.338 -3.059 1.00 0.00 O ATOM 1032 CB ASN A 69 6.150 -11.561 -1.047 1.00 0.00 C ATOM 1033 CG ASN A 69 6.999 -11.959 0.147 1.00 0.00 C ATOM 1034 OD1 ASN A 69 8.000 -11.312 0.451 1.00 0.00 O ATOM 1035 ND2 ASN A 69 6.609 -13.031 0.829 1.00 0.00 N ATOM 0 H ASN A 69 4.998 -13.704 -0.805 1.00 0.00 H new ATOM 0 HA ASN A 69 4.403 -11.118 0.159 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.393 -12.207 -1.891 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.402 -10.543 -1.343 1.00 0.00 H new ATOM 0 HD21 ASN A 69 7.146 -13.345 1.637 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.772 -13.540 0.544 1.00 0.00 H new ATOM 1042 N ILE A 70 3.125 -9.935 -1.541 1.00 0.00 N ATOM 1043 CA ILE A 70 2.429 -9.131 -2.538 1.00 0.00 C ATOM 1044 C ILE A 70 3.414 -8.685 -3.631 1.00 0.00 C ATOM 1045 O ILE A 70 3.140 -8.844 -4.826 1.00 0.00 O ATOM 1046 CB ILE A 70 1.766 -7.887 -1.903 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.695 -8.301 -0.885 1.00 0.00 C ATOM 1048 CG2 ILE A 70 1.168 -6.988 -2.975 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.472 -9.059 -1.484 1.00 0.00 C ATOM 0 H ILE A 70 2.980 -9.634 -0.577 1.00 0.00 H new ATOM 0 HA ILE A 70 1.645 -9.749 -2.975 1.00 0.00 H new ATOM 0 HB ILE A 70 2.537 -7.324 -1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.160 -8.920 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.317 -7.407 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.707 -6.119 -2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.954 -6.659 -3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.414 -7.541 -3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.183 -9.314 -0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.965 -8.437 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.109 -9.973 -1.955 1.00 0.00 H new ATOM 1061 N PRO A 71 4.602 -8.162 -3.243 1.00 0.00 N ATOM 1062 CA PRO A 71 5.627 -7.749 -4.206 1.00 0.00 C ATOM 1063 C PRO A 71 6.100 -8.913 -5.063 1.00 0.00 C ATOM 1064 O PRO A 71 6.515 -8.719 -6.203 1.00 0.00 O ATOM 1065 CB PRO A 71 6.775 -7.236 -3.332 1.00 0.00 C ATOM 1066 CG PRO A 71 6.543 -7.851 -1.998 1.00 0.00 C ATOM 1067 CD PRO A 71 5.053 -7.945 -1.855 1.00 0.00 C ATOM 0 HA PRO A 71 5.248 -7.002 -4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.743 -7.528 -3.739 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.770 -6.148 -3.272 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.007 -8.835 -1.934 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.976 -7.242 -1.204 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.761 -8.767 -1.202 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.630 -7.035 -1.430 1.00 0.00 H new ATOM 1075 N LEU A 72 6.043 -10.124 -4.506 1.00 0.00 N ATOM 1076 CA LEU A 72 6.446 -11.317 -5.244 1.00 0.00 C ATOM 1077 C LEU A 72 5.668 -11.406 -6.548 1.00 0.00 C ATOM 1078 O LEU A 72 6.215 -11.773 -7.588 1.00 0.00 O ATOM 1079 CB LEU A 72 6.223 -12.578 -4.409 1.00 0.00 C ATOM 1080 CG LEU A 72 7.141 -13.753 -4.754 1.00 0.00 C ATOM 1081 CD1 LEU A 72 8.080 -14.054 -3.597 1.00 0.00 C ATOM 1082 CD2 LEU A 72 6.321 -14.983 -5.112 1.00 0.00 C ATOM 0 H LEU A 72 5.724 -10.302 -3.554 1.00 0.00 H new ATOM 0 HA LEU A 72 7.511 -11.242 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.358 -12.328 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.188 -12.897 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 72 7.742 -13.477 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.725 -14.892 -3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.692 -13.177 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.497 -14.309 -2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.990 -15.809 -5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.694 -15.261 -4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.691 -14.762 -5.973 1.00 0.00 H new ATOM 1094 N ASP A 73 4.390 -11.037 -6.489 1.00 0.00 N ATOM 1095 CA ASP A 73 3.551 -11.019 -7.679 1.00 0.00 C ATOM 1096 C ASP A 73 4.114 -10.026 -8.685 1.00 0.00 C ATOM 1097 O ASP A 73 4.248 -10.331 -9.870 1.00 0.00 O ATOM 1098 CB ASP A 73 2.112 -10.647 -7.317 1.00 0.00 C ATOM 1099 CG ASP A 73 1.181 -11.843 -7.338 1.00 0.00 C ATOM 1100 OD1 ASP A 73 1.668 -12.979 -7.158 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.038 -11.644 -7.530 1.00 0.00 O ATOM 0 H ASP A 73 3.917 -10.748 -5.633 1.00 0.00 H new ATOM 0 HA ASP A 73 3.545 -12.015 -8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.095 -10.195 -6.325 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.748 -9.895 -8.016 1.00 0.00 H new ATOM 1106 N ALA A 74 4.484 -8.847 -8.190 1.00 0.00 N ATOM 1107 CA ALA A 74 5.088 -7.820 -9.033 1.00 0.00 C ATOM 1108 C ALA A 74 6.471 -8.262 -9.494 1.00 0.00 C ATOM 1109 O ALA A 74 6.970 -7.808 -10.523 1.00 0.00 O ATOM 1110 CB ALA A 74 5.172 -6.499 -8.286 1.00 0.00 C ATOM 0 H ALA A 74 4.376 -8.580 -7.211 1.00 0.00 H new ATOM 0 HA ALA A 74 4.459 -7.677 -9.911 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.625 -5.745 -8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.170 -6.178 -8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.781 -6.625 -7.391 1.00 0.00 H new ATOM 1116 N ARG A 75 7.081 -9.153 -8.720 1.00 0.00 N ATOM 1117 CA ARG A 75 8.396 -9.684 -9.044 1.00 0.00 C ATOM 1118 C ARG A 75 8.304 -10.642 -10.226 1.00 0.00 C ATOM 1119 O ARG A 75 9.196 -10.688 -11.073 1.00 0.00 O ATOM 1120 CB ARG A 75 8.989 -10.400 -7.829 1.00 0.00 C ATOM 1121 CG ARG A 75 10.347 -11.030 -8.092 1.00 0.00 C ATOM 1122 CD ARG A 75 10.625 -12.175 -7.131 1.00 0.00 C ATOM 1123 NE ARG A 75 11.569 -13.140 -7.687 1.00 0.00 N ATOM 1124 CZ ARG A 75 11.208 -14.192 -8.415 1.00 0.00 C ATOM 1125 NH1 ARG A 75 9.926 -14.416 -8.675 1.00 0.00 N ATOM 1126 NH2 ARG A 75 12.129 -15.022 -8.884 1.00 0.00 N ATOM 0 H ARG A 75 6.681 -9.524 -7.858 1.00 0.00 H new ATOM 0 HA ARG A 75 9.049 -8.855 -9.317 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.082 -9.688 -7.009 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.296 -11.175 -7.502 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.387 -11.397 -9.118 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.126 -10.274 -7.993 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.022 -11.776 -6.197 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.690 -12.681 -6.890 1.00 0.00 H new ATOM 0 HE ARG A 75 12.563 -12.999 -7.506 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.214 -13.780 -8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.653 -15.224 -9.234 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.115 -14.854 -8.686 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.851 -15.829 -9.443 1.00 0.00 H new ATOM 1140 N ASN A 76 7.212 -11.400 -10.276 1.00 0.00 N ATOM 1141 CA ASN A 76 6.986 -12.342 -11.363 1.00 0.00 C ATOM 1142 C ASN A 76 6.846 -11.599 -12.686 1.00 0.00 C ATOM 1143 O ASN A 76 7.585 -11.859 -13.635 1.00 0.00 O ATOM 1144 CB ASN A 76 5.734 -13.179 -11.090 1.00 0.00 C ATOM 1145 CG ASN A 76 5.890 -14.615 -11.549 1.00 0.00 C ATOM 1146 OD1 ASN A 76 7.036 -15.213 -11.243 1.00 0.00 O flip ATOM 1147 ND2 ASN A 76 4.991 -15.182 -12.171 1.00 0.00 N flip ATOM 0 H ASN A 76 6.471 -11.379 -9.575 1.00 0.00 H new ATOM 0 HA ASN A 76 7.844 -13.011 -11.427 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.515 -13.163 -10.022 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.881 -12.729 -11.597 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.127 -14.685 -12.385 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.111 -16.149 -12.472 1.00 0.00 H new ATOM 1154 N HIS A 77 5.911 -10.654 -12.731 1.00 0.00 N ATOM 1155 CA HIS A 77 5.710 -9.838 -13.921 1.00 0.00 C ATOM 1156 C HIS A 77 6.923 -8.945 -14.144 1.00 0.00 C ATOM 1157 O HIS A 77 7.246 -8.581 -15.275 1.00 0.00 O ATOM 1158 CB HIS A 77 4.450 -8.982 -13.775 1.00 0.00 C ATOM 1159 CG HIS A 77 3.322 -9.417 -14.656 1.00 0.00 C ATOM 1160 ND1 HIS A 77 2.874 -8.628 -15.688 1.00 0.00 N ATOM 1161 CD2 HIS A 77 2.588 -10.556 -14.619 1.00 0.00 C ATOM 1162 CE1 HIS A 77 1.885 -9.297 -16.252 1.00 0.00 C ATOM 1163 NE2 HIS A 77 1.677 -10.471 -15.638 1.00 0.00 N ATOM 0 H HIS A 77 5.282 -10.436 -11.958 1.00 0.00 H new ATOM 0 HA HIS A 77 5.585 -10.496 -14.781 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.120 -9.011 -12.737 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.698 -7.945 -14.002 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.700 -11.372 -13.921 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.316 -8.944 -17.099 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.974 -11.168 -15.883 1.00 0.00 H new ATOM 1171 N GLY A 78 7.594 -8.608 -13.047 1.00 0.00 N ATOM 1172 CA GLY A 78 8.785 -7.784 -13.117 1.00 0.00 C ATOM 1173 C GLY A 78 8.489 -6.303 -12.991 1.00 0.00 C ATOM 1174 O GLY A 78 8.308 -5.613 -13.995 1.00 0.00 O ATOM 0 H GLY A 78 7.331 -8.894 -12.104 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.472 -8.080 -12.324 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.292 -7.968 -14.064 1.00 0.00 H new ATOM 1178 N TYR A 79 8.466 -5.808 -11.757 1.00 0.00 N ATOM 1179 CA TYR A 79 8.218 -4.393 -11.502 1.00 0.00 C ATOM 1180 C TYR A 79 9.537 -3.645 -11.328 1.00 0.00 C ATOM 1181 O TYR A 79 10.586 -4.109 -11.774 1.00 0.00 O ATOM 1182 CB TYR A 79 7.348 -4.221 -10.251 1.00 0.00 C ATOM 1183 CG TYR A 79 6.275 -3.155 -10.375 1.00 0.00 C ATOM 1184 CD1 TYR A 79 6.254 -2.266 -11.446 1.00 0.00 C ATOM 1185 CD2 TYR A 79 5.287 -3.034 -9.405 1.00 0.00 C ATOM 1186 CE1 TYR A 79 5.274 -1.296 -11.550 1.00 0.00 C ATOM 1187 CE2 TYR A 79 4.307 -2.064 -9.502 1.00 0.00 C ATOM 1188 CZ TYR A 79 4.305 -1.198 -10.575 1.00 0.00 C ATOM 1189 OH TYR A 79 3.330 -0.232 -10.672 1.00 0.00 O ATOM 0 H TYR A 79 8.616 -6.367 -10.917 1.00 0.00 H new ATOM 0 HA TYR A 79 7.688 -3.976 -12.359 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.871 -5.174 -10.021 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.992 -3.975 -9.407 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.016 -2.335 -12.208 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.285 -3.709 -8.562 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.268 -0.619 -12.391 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.546 -1.985 -8.740 1.00 0.00 H new ATOM 0 HH TYR A 79 3.041 -0.151 -11.605 1.00 0.00 H new ATOM 1199 N THR A 80 9.480 -2.489 -10.672 1.00 0.00 N ATOM 1200 CA THR A 80 10.677 -1.688 -10.439 1.00 0.00 C ATOM 1201 C THR A 80 11.480 -2.241 -9.264 1.00 0.00 C ATOM 1202 O THR A 80 12.389 -3.050 -9.451 1.00 0.00 O ATOM 1203 CB THR A 80 10.302 -0.228 -10.180 1.00 0.00 C ATOM 1204 OG1 THR A 80 9.377 0.231 -11.150 1.00 0.00 O ATOM 1205 CG2 THR A 80 11.492 0.706 -10.199 1.00 0.00 C ATOM 0 H THR A 80 8.622 -2.088 -10.294 1.00 0.00 H new ATOM 0 HA THR A 80 11.297 -1.738 -11.334 1.00 0.00 H new ATOM 0 HB THR A 80 9.865 -0.213 -9.181 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.855 0.465 -11.973 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.157 1.726 -10.009 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.202 0.407 -9.427 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.976 0.659 -11.175 1.00 0.00 H new ATOM 1213 N VAL A 81 11.139 -1.804 -8.054 1.00 0.00 N ATOM 1214 CA VAL A 81 11.835 -2.258 -6.856 1.00 0.00 C ATOM 1215 C VAL A 81 10.919 -3.097 -5.969 1.00 0.00 C ATOM 1216 O VAL A 81 9.819 -2.672 -5.615 1.00 0.00 O ATOM 1217 CB VAL A 81 12.385 -1.072 -6.040 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.081 -1.561 -4.779 1.00 0.00 C ATOM 1219 CG2 VAL A 81 13.332 -0.236 -6.887 1.00 0.00 C ATOM 0 H VAL A 81 10.387 -1.138 -7.879 1.00 0.00 H new ATOM 0 HA VAL A 81 12.670 -2.874 -7.191 1.00 0.00 H new ATOM 0 HB VAL A 81 11.546 -0.444 -5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.461 -0.707 -4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.371 -2.113 -4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.910 -2.215 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.711 0.597 -6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.166 -0.855 -7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.799 0.150 -7.756 1.00 0.00 H new ATOM 1229 N LEU A 82 11.392 -4.284 -5.605 1.00 0.00 N ATOM 1230 CA LEU A 82 10.635 -5.190 -4.749 1.00 0.00 C ATOM 1231 C LEU A 82 11.446 -5.554 -3.507 1.00 0.00 C ATOM 1232 O LEU A 82 12.412 -6.313 -3.589 1.00 0.00 O ATOM 1233 CB LEU A 82 10.263 -6.469 -5.513 1.00 0.00 C ATOM 1234 CG LEU A 82 9.288 -6.288 -6.684 1.00 0.00 C ATOM 1235 CD1 LEU A 82 8.113 -5.410 -6.282 1.00 0.00 C ATOM 1236 CD2 LEU A 82 10.004 -5.705 -7.893 1.00 0.00 C ATOM 0 H LEU A 82 12.303 -4.643 -5.892 1.00 0.00 H new ATOM 0 HA LEU A 82 9.721 -4.681 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.179 -6.921 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.827 -7.177 -4.808 1.00 0.00 H new ATOM 0 HG LEU A 82 8.899 -7.270 -6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.437 -5.297 -7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.580 -5.873 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.479 -4.430 -5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.295 -5.584 -8.712 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.426 -4.734 -7.633 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.804 -6.378 -8.201 1.00 0.00 H new ATOM 1248 N ASP A 83 11.050 -5.009 -2.362 1.00 0.00 N ATOM 1249 CA ASP A 83 11.746 -5.277 -1.108 1.00 0.00 C ATOM 1250 C ASP A 83 10.783 -5.838 -0.069 1.00 0.00 C ATOM 1251 O ASP A 83 9.569 -5.683 -0.189 1.00 0.00 O ATOM 1252 CB ASP A 83 12.398 -3.997 -0.580 1.00 0.00 C ATOM 1253 CG ASP A 83 13.741 -4.256 0.074 1.00 0.00 C ATOM 1254 OD1 ASP A 83 14.328 -5.330 -0.178 1.00 0.00 O ATOM 1255 OD2 ASP A 83 14.206 -3.386 0.839 1.00 0.00 O ATOM 0 H ASP A 83 10.252 -4.380 -2.276 1.00 0.00 H new ATOM 0 HA ASP A 83 12.522 -6.018 -1.298 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.528 -3.293 -1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.731 -3.525 0.141 1.00 0.00 H new ATOM 1260 N ILE A 84 11.328 -6.511 0.942 1.00 0.00 N ATOM 1261 CA ILE A 84 10.506 -7.097 1.994 1.00 0.00 C ATOM 1262 C ILE A 84 11.183 -6.986 3.357 1.00 0.00 C ATOM 1263 O ILE A 84 12.346 -6.593 3.457 1.00 0.00 O ATOM 1264 CB ILE A 84 10.187 -8.580 1.713 1.00 0.00 C ATOM 1265 CG1 ILE A 84 11.450 -9.436 1.849 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.575 -8.742 0.329 1.00 0.00 C ATOM 1267 CD1 ILE A 84 11.195 -10.924 1.728 1.00 0.00 C ATOM 0 H ILE A 84 12.330 -6.663 1.053 1.00 0.00 H new ATOM 0 HA ILE A 84 9.575 -6.531 2.006 1.00 0.00 H new ATOM 0 HB ILE A 84 9.461 -8.922 2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.165 -9.136 1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 84 11.913 -9.233 2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.357 -9.795 0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.652 -8.165 0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.277 -8.383 -0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.136 -11.464 1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 84 10.505 -11.240 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 84 10.761 -11.141 0.752 1.00 0.00 H new ATOM 1279 N GLN A 85 10.444 -7.347 4.399 1.00 0.00 N ATOM 1280 CA GLN A 85 10.957 -7.306 5.762 1.00 0.00 C ATOM 1281 C GLN A 85 10.226 -8.320 6.634 1.00 0.00 C ATOM 1282 O GLN A 85 9.266 -8.952 6.191 1.00 0.00 O ATOM 1283 CB GLN A 85 10.805 -5.901 6.349 1.00 0.00 C ATOM 1284 CG GLN A 85 12.029 -5.425 7.114 1.00 0.00 C ATOM 1285 CD GLN A 85 12.887 -4.470 6.308 1.00 0.00 C ATOM 1286 OE1 GLN A 85 12.796 -4.418 5.082 1.00 0.00 O ATOM 1287 NE2 GLN A 85 13.728 -3.707 6.997 1.00 0.00 N ATOM 0 H GLN A 85 9.481 -7.674 4.324 1.00 0.00 H new ATOM 0 HA GLN A 85 12.016 -7.562 5.739 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.596 -5.200 5.541 1.00 0.00 H new ATOM 0 HB3 GLN A 85 9.942 -5.886 7.015 1.00 0.00 H new ATOM 0 HG2 GLN A 85 11.710 -4.933 8.033 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.628 -6.287 7.406 1.00 0.00 H new ATOM 0 HE21 GLN A 85 13.770 -3.783 8.013 1.00 0.00 H new ATOM 0 HE22 GLN A 85 14.332 -3.045 6.510 1.00 0.00 H new ATOM 1296 N GLN A 86 10.681 -8.478 7.872 1.00 0.00 N ATOM 1297 CA GLN A 86 10.066 -9.428 8.791 1.00 0.00 C ATOM 1298 C GLN A 86 9.923 -8.836 10.188 1.00 0.00 C ATOM 1299 O GLN A 86 10.819 -8.149 10.680 1.00 0.00 O ATOM 1300 CB GLN A 86 10.892 -10.714 8.856 1.00 0.00 C ATOM 1301 CG GLN A 86 10.048 -11.977 8.881 1.00 0.00 C ATOM 1302 CD GLN A 86 10.864 -13.219 9.182 1.00 0.00 C ATOM 1303 OE1 GLN A 86 11.983 -13.374 8.694 1.00 0.00 O ATOM 1304 NE2 GLN A 86 10.303 -14.113 9.989 1.00 0.00 N ATOM 0 H GLN A 86 11.471 -7.963 8.261 1.00 0.00 H new ATOM 0 HA GLN A 86 9.069 -9.657 8.414 1.00 0.00 H new ATOM 0 HB2 GLN A 86 11.561 -10.751 7.996 1.00 0.00 H new ATOM 0 HB3 GLN A 86 11.520 -10.688 9.747 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.265 -11.871 9.631 1.00 0.00 H new ATOM 0 HG3 GLN A 86 9.552 -12.097 7.918 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.373 -13.943 10.371 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.803 -14.970 10.227 1.00 0.00 H new ATOM 1313 N ASP A 87 8.789 -9.115 10.825 1.00 0.00 N ATOM 1314 CA ASP A 87 8.525 -8.629 12.173 1.00 0.00 C ATOM 1315 C ASP A 87 8.376 -9.804 13.139 1.00 0.00 C ATOM 1316 O ASP A 87 9.137 -10.769 13.071 1.00 0.00 O ATOM 1317 CB ASP A 87 7.260 -7.765 12.185 1.00 0.00 C ATOM 1318 CG ASP A 87 7.500 -6.380 11.616 1.00 0.00 C ATOM 1319 OD1 ASP A 87 8.605 -5.836 11.822 1.00 0.00 O ATOM 1320 OD2 ASP A 87 6.579 -5.838 10.968 1.00 0.00 O ATOM 0 H ASP A 87 8.037 -9.677 10.426 1.00 0.00 H new ATOM 0 HA ASP A 87 9.367 -8.018 12.497 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.479 -8.261 11.609 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.894 -7.676 13.208 1.00 0.00 H new ATOM 1325 N GLY A 88 7.392 -9.724 14.032 1.00 0.00 N ATOM 1326 CA GLY A 88 7.166 -10.801 14.975 1.00 0.00 C ATOM 1327 C GLY A 88 6.539 -12.015 14.315 1.00 0.00 C ATOM 1328 O GLY A 88 7.205 -12.724 13.559 1.00 0.00 O ATOM 0 H GLY A 88 6.751 -8.935 14.117 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.113 -11.086 15.433 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.517 -10.450 15.777 1.00 0.00 H new ATOM 1332 N PRO A 89 5.243 -12.273 14.565 1.00 0.00 N ATOM 1333 CA PRO A 89 4.538 -13.412 13.985 1.00 0.00 C ATOM 1334 C PRO A 89 3.937 -13.095 12.620 1.00 0.00 C ATOM 1335 O PRO A 89 3.018 -13.775 12.164 1.00 0.00 O ATOM 1336 CB PRO A 89 3.434 -13.666 15.008 1.00 0.00 C ATOM 1337 CG PRO A 89 3.098 -12.308 15.533 1.00 0.00 C ATOM 1338 CD PRO A 89 4.364 -11.488 15.456 1.00 0.00 C ATOM 0 HA PRO A 89 5.195 -14.263 13.807 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.567 -14.140 14.548 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.774 -14.328 15.805 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.304 -11.850 14.943 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.738 -12.368 16.560 1.00 0.00 H new ATOM 0 HD2 PRO A 89 4.172 -10.494 15.053 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.812 -11.352 16.440 1.00 0.00 H new ATOM 1346 N THR A 90 4.451 -12.050 11.974 1.00 0.00 N ATOM 1347 CA THR A 90 3.949 -11.636 10.667 1.00 0.00 C ATOM 1348 C THR A 90 5.092 -11.250 9.736 1.00 0.00 C ATOM 1349 O THR A 90 6.251 -11.188 10.147 1.00 0.00 O ATOM 1350 CB THR A 90 2.991 -10.451 10.819 1.00 0.00 C ATOM 1351 OG1 THR A 90 3.690 -9.297 11.252 1.00 0.00 O ATOM 1352 CG2 THR A 90 1.871 -10.705 11.802 1.00 0.00 C ATOM 0 H THR A 90 5.213 -11.476 12.334 1.00 0.00 H new ATOM 0 HA THR A 90 3.417 -12.481 10.231 1.00 0.00 H new ATOM 0 HB THR A 90 2.555 -10.304 9.831 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.063 -8.549 11.342 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.231 -9.825 11.860 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.282 -11.560 11.470 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.291 -10.914 12.786 1.00 0.00 H new ATOM 1360 N ILE A 91 4.753 -10.981 8.478 1.00 0.00 N ATOM 1361 CA ILE A 91 5.740 -10.568 7.489 1.00 0.00 C ATOM 1362 C ILE A 91 5.197 -9.412 6.649 1.00 0.00 C ATOM 1363 O ILE A 91 4.072 -9.470 6.152 1.00 0.00 O ATOM 1364 CB ILE A 91 6.163 -11.741 6.573 1.00 0.00 C ATOM 1365 CG1 ILE A 91 7.141 -11.249 5.503 1.00 0.00 C ATOM 1366 CG2 ILE A 91 4.949 -12.405 5.932 1.00 0.00 C ATOM 1367 CD1 ILE A 91 8.021 -12.341 4.936 1.00 0.00 C ATOM 0 H ILE A 91 3.800 -11.042 8.120 1.00 0.00 H new ATOM 0 HA ILE A 91 6.626 -10.235 8.029 1.00 0.00 H new ATOM 0 HB ILE A 91 6.664 -12.490 7.186 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.577 -10.791 4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.773 -10.471 5.931 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.278 -13.225 5.294 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.292 -12.792 6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.408 -11.673 5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.687 -11.918 4.184 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.613 -12.784 5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.398 -13.109 4.478 1.00 0.00 H new ATOM 1379 N ARG A 92 5.991 -8.352 6.520 1.00 0.00 N ATOM 1380 CA ARG A 92 5.569 -7.164 5.787 1.00 0.00 C ATOM 1381 C ARG A 92 6.545 -6.837 4.660 1.00 0.00 C ATOM 1382 O ARG A 92 7.761 -6.872 4.847 1.00 0.00 O ATOM 1383 CB ARG A 92 5.453 -5.975 6.749 1.00 0.00 C ATOM 1384 CG ARG A 92 5.612 -4.617 6.081 1.00 0.00 C ATOM 1385 CD ARG A 92 6.085 -3.563 7.069 1.00 0.00 C ATOM 1386 NE ARG A 92 4.975 -2.951 7.794 1.00 0.00 N ATOM 1387 CZ ARG A 92 4.766 -1.639 7.855 1.00 0.00 C ATOM 1388 NH1 ARG A 92 5.589 -0.802 7.236 1.00 0.00 N ATOM 1389 NH2 ARG A 92 3.732 -1.162 8.536 1.00 0.00 N ATOM 0 H ARG A 92 6.930 -8.293 6.914 1.00 0.00 H new ATOM 0 HA ARG A 92 4.595 -7.364 5.340 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.482 -6.014 7.242 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.210 -6.076 7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.326 -4.695 5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 92 4.660 -4.310 5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.775 -4.017 7.780 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.639 -2.790 6.536 1.00 0.00 H new ATOM 0 HE ARG A 92 4.323 -3.565 8.282 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.385 -1.164 6.711 1.00 0.00 H new ATOM 0 HH12 ARG A 92 5.425 0.204 7.285 1.00 0.00 H new ATOM 0 HH21 ARG A 92 3.097 -1.802 9.013 1.00 0.00 H new ATOM 0 HH22 ARG A 92 3.572 -0.156 8.582 1.00 0.00 H new ATOM 1403 N TYR A 93 5.998 -6.500 3.496 1.00 0.00 N ATOM 1404 CA TYR A 93 6.807 -6.172 2.330 1.00 0.00 C ATOM 1405 C TYR A 93 6.387 -4.830 1.735 1.00 0.00 C ATOM 1406 O TYR A 93 5.319 -4.310 2.052 1.00 0.00 O ATOM 1407 CB TYR A 93 6.673 -7.271 1.276 1.00 0.00 C ATOM 1408 CG TYR A 93 5.745 -8.396 1.678 1.00 0.00 C ATOM 1409 CD1 TYR A 93 4.380 -8.316 1.435 1.00 0.00 C ATOM 1410 CD2 TYR A 93 6.232 -9.532 2.309 1.00 0.00 C ATOM 1411 CE1 TYR A 93 3.529 -9.341 1.802 1.00 0.00 C ATOM 1412 CE2 TYR A 93 5.386 -10.562 2.678 1.00 0.00 C ATOM 1413 CZ TYR A 93 4.036 -10.458 2.426 1.00 0.00 C ATOM 1414 OH TYR A 93 3.191 -11.480 2.790 1.00 0.00 O ATOM 0 H TYR A 93 4.992 -6.447 3.336 1.00 0.00 H new ATOM 0 HA TYR A 93 7.848 -6.098 2.646 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.311 -6.829 0.348 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.660 -7.684 1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 93 3.977 -7.438 0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.289 -9.613 2.515 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.471 -9.266 1.600 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.782 -11.443 3.161 1.00 0.00 H new ATOM 0 HH TYR A 93 2.776 -11.862 1.989 1.00 0.00 H new ATOM 1424 N LEU A 94 7.237 -4.275 0.873 1.00 0.00 N ATOM 1425 CA LEU A 94 6.951 -2.992 0.236 1.00 0.00 C ATOM 1426 C LEU A 94 7.679 -2.863 -1.101 1.00 0.00 C ATOM 1427 O LEU A 94 8.730 -3.470 -1.306 1.00 0.00 O ATOM 1428 CB LEU A 94 7.358 -1.839 1.156 1.00 0.00 C ATOM 1429 CG LEU A 94 8.597 -2.105 2.012 1.00 0.00 C ATOM 1430 CD1 LEU A 94 9.453 -0.853 2.115 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.190 -2.594 3.393 1.00 0.00 C ATOM 0 H LEU A 94 8.127 -4.693 0.601 1.00 0.00 H new ATOM 0 HA LEU A 94 5.878 -2.946 0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.539 -0.954 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.522 -1.607 1.815 1.00 0.00 H new ATOM 0 HG LEU A 94 9.190 -2.884 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.330 -1.061 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.771 -0.547 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.873 -0.052 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.082 -2.779 3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.577 -1.836 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.619 -3.517 3.298 1.00 0.00 H new ATOM 1443 N ILE A 95 7.119 -2.060 -2.005 1.00 0.00 N ATOM 1444 CA ILE A 95 7.726 -1.843 -3.319 1.00 0.00 C ATOM 1445 C ILE A 95 7.681 -0.363 -3.700 1.00 0.00 C ATOM 1446 O ILE A 95 6.848 0.388 -3.201 1.00 0.00 O ATOM 1447 CB ILE A 95 7.040 -2.696 -4.419 1.00 0.00 C ATOM 1448 CG1 ILE A 95 6.050 -1.863 -5.244 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.325 -3.887 -3.797 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.629 -1.336 -6.539 1.00 0.00 C ATOM 0 H ILE A 95 6.249 -1.550 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 95 8.766 -2.160 -3.248 1.00 0.00 H new ATOM 0 HB ILE A 95 7.820 -3.055 -5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.175 -2.473 -5.469 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.706 -1.022 -4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.849 -4.476 -4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.046 -4.507 -3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.567 -3.532 -3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.871 -0.757 -7.067 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.486 -0.699 -6.322 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.947 -2.172 -7.162 1.00 0.00 H new ATOM 1462 N GLN A 96 8.598 0.057 -4.567 1.00 0.00 N ATOM 1463 CA GLN A 96 8.652 1.451 -4.999 1.00 0.00 C ATOM 1464 C GLN A 96 9.316 1.587 -6.368 1.00 0.00 C ATOM 1465 O GLN A 96 9.945 0.650 -6.860 1.00 0.00 O ATOM 1466 CB GLN A 96 9.421 2.285 -3.973 1.00 0.00 C ATOM 1467 CG GLN A 96 10.913 1.989 -3.946 1.00 0.00 C ATOM 1468 CD GLN A 96 11.412 1.636 -2.560 1.00 0.00 C ATOM 1469 OE1 GLN A 96 11.732 0.481 -2.277 1.00 0.00 O ATOM 1470 NE2 GLN A 96 11.483 2.632 -1.685 1.00 0.00 N ATOM 0 H GLN A 96 9.310 -0.544 -4.982 1.00 0.00 H new ATOM 0 HA GLN A 96 7.628 1.815 -5.079 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.272 3.343 -4.191 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.004 2.102 -2.982 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.129 1.165 -4.626 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.459 2.858 -4.314 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.208 3.574 -1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.813 2.455 -0.736 1.00 0.00 H new ATOM 1479 N LYS A 97 9.241 2.788 -6.938 1.00 0.00 N ATOM 1480 CA LYS A 97 9.869 3.070 -8.225 1.00 0.00 C ATOM 1481 C LYS A 97 10.847 4.236 -8.097 1.00 0.00 C ATOM 1482 O LYS A 97 11.962 4.135 -8.648 1.00 0.00 O ATOM 1483 CB LYS A 97 8.809 3.394 -9.283 1.00 0.00 C ATOM 1484 CG LYS A 97 9.331 4.216 -10.452 1.00 0.00 C ATOM 1485 CD LYS A 97 8.996 3.568 -11.785 1.00 0.00 C ATOM 1486 CE LYS A 97 9.945 4.022 -12.880 1.00 0.00 C ATOM 1487 NZ LYS A 97 10.947 2.972 -13.217 1.00 0.00 N ATOM 1488 OXT LYS A 97 10.487 5.238 -7.442 1.00 0.00 O ATOM 0 H LYS A 97 8.750 3.582 -6.527 1.00 0.00 H new ATOM 0 HA LYS A 97 10.417 2.181 -8.538 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.395 2.461 -9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.991 3.935 -8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.901 5.217 -10.415 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.411 4.330 -10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.046 2.484 -11.686 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.972 3.816 -12.064 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.374 4.278 -13.772 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.461 4.927 -12.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.576 3.321 -13.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.509 2.745 -12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.456 2.116 -13.546 1.00 0.00 H new TER 1502 LYS A 97