USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 971 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -11:sc= 0.282! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 131:sc= 0.567 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.289 K(o=-0.29,f=-1.3) USER MOD Single : A 30 ASN : amide:sc= -0.0976 K(o=-0.098,f=-2.7!) USER MOD Single : A 31 MET CE :methyl -116:sc= -5.7! (180deg=-14.8!) USER MOD Single : A 34 TYR OH : rot -20:sc=0.000728 USER MOD Single : A 36 GLN : amide:sc= -3.27 K(o=-3.3,f=-14!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 39 CYS SG : rot -150:sc= -4.34! USER MOD Single : A 41 THR OG1 : rot 17:sc= 0.976 USER MOD Single : A 42 GLN : amide:sc= -4.1! C(o=-4.1!,f=-2.5!) USER MOD Single : A 44 GLN : amide:sc= 0.128 X(o=0.13,f=-0.16) USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.455) USER MOD Single : A 46 SER OG : rot 91:sc= -0.521 USER MOD Single : A 47 ASN : amide:sc=-0.00942 X(o=-0.0094,f=-0.25) USER MOD Single : A 52 MET CE :methyl -141:sc= -0.24 (180deg=-1.09) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -2.14! C(o=-2.1!,f=-2.6!) USER MOD Single : A 61 THR OG1 : rot -2:sc= 0.797 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 140:sc= -1.89 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 28:sc= 0.115 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.351! C(o=-0.35!,f=-6.7!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= -0.0311 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.475 18.511 5.578 1.00 0.00 N ATOM 2 CA GLY A 1 -27.054 18.137 4.239 1.00 0.00 C ATOM 3 C GLY A 1 -25.592 18.517 3.997 1.00 0.00 C ATOM 4 O GLY A 1 -25.230 19.690 4.075 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.470 18.242 5.717 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.883 18.020 6.278 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.374 19.539 5.699 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.182 17.063 4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.688 18.631 3.503 1.00 0.00 H new ATOM 8 N SER A 2 -24.790 17.502 3.710 1.00 0.00 N ATOM 9 CA SER A 2 -23.375 17.714 3.456 1.00 0.00 C ATOM 10 C SER A 2 -23.126 17.837 1.952 1.00 0.00 C ATOM 11 O SER A 2 -23.523 16.966 1.180 1.00 0.00 O ATOM 12 CB SER A 2 -22.534 16.579 4.043 1.00 0.00 C ATOM 13 OG SER A 2 -22.385 15.497 3.128 1.00 0.00 O ATOM 0 H SER A 2 -25.093 16.530 3.648 1.00 0.00 H new ATOM 0 HA SER A 2 -23.075 18.641 3.944 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.550 16.961 4.316 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.002 16.218 4.959 1.00 0.00 H new ATOM 0 HG SER A 2 -22.992 15.624 2.369 1.00 0.00 H new ATOM 19 N SER A 3 -22.468 18.926 1.580 1.00 0.00 N ATOM 20 CA SER A 3 -22.160 19.173 0.182 1.00 0.00 C ATOM 21 C SER A 3 -20.815 19.892 0.062 1.00 0.00 C ATOM 22 O SER A 3 -20.292 20.408 1.048 1.00 0.00 O ATOM 23 CB SER A 3 -23.263 19.996 -0.487 1.00 0.00 C ATOM 24 OG SER A 3 -24.536 19.363 -0.389 1.00 0.00 O ATOM 0 H SER A 3 -22.140 19.647 2.223 1.00 0.00 H new ATOM 0 HA SER A 3 -22.098 18.213 -0.330 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.312 20.981 -0.024 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.014 20.149 -1.537 1.00 0.00 H new ATOM 0 HG SER A 3 -25.213 19.920 -0.826 1.00 0.00 H new ATOM 30 N GLY A 4 -20.292 19.902 -1.156 1.00 0.00 N ATOM 31 CA GLY A 4 -19.018 20.548 -1.418 1.00 0.00 C ATOM 32 C GLY A 4 -17.895 19.516 -1.544 1.00 0.00 C ATOM 33 O GLY A 4 -17.939 18.465 -0.906 1.00 0.00 O ATOM 0 H GLY A 4 -20.728 19.473 -1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.084 21.132 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.787 21.245 -0.612 1.00 0.00 H new ATOM 37 N SER A 5 -16.915 19.853 -2.369 1.00 0.00 N ATOM 38 CA SER A 5 -15.783 18.968 -2.586 1.00 0.00 C ATOM 39 C SER A 5 -14.544 19.786 -2.959 1.00 0.00 C ATOM 40 O SER A 5 -14.613 20.668 -3.814 1.00 0.00 O ATOM 41 CB SER A 5 -16.088 17.940 -3.677 1.00 0.00 C ATOM 42 OG SER A 5 -16.007 18.506 -4.982 1.00 0.00 O ATOM 0 H SER A 5 -16.881 20.726 -2.895 1.00 0.00 H new ATOM 0 HA SER A 5 -15.589 18.427 -1.660 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.387 17.109 -3.598 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.086 17.531 -3.521 1.00 0.00 H new ATOM 0 HG SER A 5 -15.450 17.935 -5.552 1.00 0.00 H new ATOM 48 N SER A 6 -13.442 19.464 -2.299 1.00 0.00 N ATOM 49 CA SER A 6 -12.190 20.157 -2.551 1.00 0.00 C ATOM 50 C SER A 6 -11.023 19.359 -1.966 1.00 0.00 C ATOM 51 O SER A 6 -11.201 18.596 -1.018 1.00 0.00 O ATOM 52 CB SER A 6 -12.214 21.569 -1.962 1.00 0.00 C ATOM 53 OG SER A 6 -12.346 21.554 -0.543 1.00 0.00 O ATOM 0 H SER A 6 -13.390 18.733 -1.590 1.00 0.00 H new ATOM 0 HA SER A 6 -12.059 20.244 -3.630 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.297 22.091 -2.235 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.042 22.129 -2.397 1.00 0.00 H new ATOM 0 HG SER A 6 -12.356 22.474 -0.206 1.00 0.00 H new ATOM 59 N GLY A 7 -9.854 19.563 -2.556 1.00 0.00 N ATOM 60 CA GLY A 7 -8.658 18.872 -2.106 1.00 0.00 C ATOM 61 C GLY A 7 -7.516 19.041 -3.110 1.00 0.00 C ATOM 62 O GLY A 7 -7.601 19.864 -4.020 1.00 0.00 O ATOM 0 H GLY A 7 -9.710 20.197 -3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.353 19.261 -1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.875 17.812 -1.972 1.00 0.00 H new ATOM 66 N PRO A 8 -6.445 18.227 -2.905 1.00 0.00 N ATOM 67 CA PRO A 8 -5.288 18.279 -3.782 1.00 0.00 C ATOM 68 C PRO A 8 -5.586 17.607 -5.124 1.00 0.00 C ATOM 69 O PRO A 8 -6.692 17.118 -5.345 1.00 0.00 O ATOM 70 CB PRO A 8 -4.176 17.591 -3.006 1.00 0.00 C ATOM 71 CG PRO A 8 -4.866 16.772 -1.927 1.00 0.00 C ATOM 72 CD PRO A 8 -6.309 17.241 -1.838 1.00 0.00 C ATOM 0 HA PRO A 8 -5.002 19.298 -4.042 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.580 16.953 -3.659 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.496 18.321 -2.567 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.824 15.710 -2.168 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.363 16.901 -0.969 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.004 16.412 -1.974 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.523 17.680 -0.864 1.00 0.00 H new ATOM 80 N HIS A 9 -4.578 17.604 -5.984 1.00 0.00 N ATOM 81 CA HIS A 9 -4.718 17.000 -7.298 1.00 0.00 C ATOM 82 C HIS A 9 -3.342 16.876 -7.955 1.00 0.00 C ATOM 83 O HIS A 9 -2.543 17.810 -7.911 1.00 0.00 O ATOM 84 CB HIS A 9 -5.715 17.785 -8.153 1.00 0.00 C ATOM 85 CG HIS A 9 -5.313 19.218 -8.407 1.00 0.00 C ATOM 86 ND1 HIS A 9 -5.922 20.290 -7.778 1.00 0.00 N ATOM 87 CD2 HIS A 9 -4.357 19.744 -9.225 1.00 0.00 C ATOM 88 CE1 HIS A 9 -5.351 21.406 -8.207 1.00 0.00 C ATOM 89 NE2 HIS A 9 -4.381 21.065 -9.104 1.00 0.00 N ATOM 0 H HIS A 9 -3.661 18.010 -5.796 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.126 15.994 -7.199 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.836 17.277 -9.110 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.688 17.773 -7.661 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.693 19.181 -9.863 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -5.608 22.409 -7.901 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.774 21.718 -9.600 1.00 0.00 H new ATOM 97 N GLY A 10 -3.108 15.716 -8.551 1.00 0.00 N ATOM 98 CA GLY A 10 -1.843 15.458 -9.216 1.00 0.00 C ATOM 99 C GLY A 10 -1.598 13.955 -9.365 1.00 0.00 C ATOM 100 O GLY A 10 -2.451 13.231 -9.877 1.00 0.00 O ATOM 0 H GLY A 10 -3.774 14.944 -8.587 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.842 15.929 -10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.030 15.908 -8.646 1.00 0.00 H new ATOM 104 N THR A 11 -0.429 13.530 -8.909 1.00 0.00 N ATOM 105 CA THR A 11 -0.061 12.126 -8.985 1.00 0.00 C ATOM 106 C THR A 11 0.336 11.604 -7.604 1.00 0.00 C ATOM 107 O THR A 11 0.805 12.365 -6.759 1.00 0.00 O ATOM 108 CB THR A 11 1.046 11.984 -10.031 1.00 0.00 C ATOM 109 OG1 THR A 11 0.425 12.379 -11.251 1.00 0.00 O ATOM 110 CG2 THR A 11 1.442 10.525 -10.270 1.00 0.00 C ATOM 0 H THR A 11 0.276 14.133 -8.485 1.00 0.00 H new ATOM 0 HA THR A 11 -0.905 11.512 -9.299 1.00 0.00 H new ATOM 0 HB THR A 11 1.921 12.550 -9.712 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.074 12.318 -11.983 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.231 10.480 -11.021 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.803 10.089 -9.339 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.575 9.965 -10.621 1.00 0.00 H new ATOM 118 N LEU A 12 0.135 10.307 -7.416 1.00 0.00 N ATOM 119 CA LEU A 12 0.467 9.674 -6.151 1.00 0.00 C ATOM 120 C LEU A 12 1.517 8.588 -6.390 1.00 0.00 C ATOM 121 O LEU A 12 1.362 7.754 -7.281 1.00 0.00 O ATOM 122 CB LEU A 12 -0.799 9.164 -5.459 1.00 0.00 C ATOM 123 CG LEU A 12 -0.584 8.163 -4.322 1.00 0.00 C ATOM 124 CD1 LEU A 12 -0.670 6.724 -4.834 1.00 0.00 C ATOM 125 CD2 LEU A 12 0.734 8.435 -3.594 1.00 0.00 C ATOM 0 H LEU A 12 -0.254 9.678 -8.119 1.00 0.00 H new ATOM 0 HA LEU A 12 0.907 10.398 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.344 10.021 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.438 8.699 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.386 8.294 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.514 6.033 -4.006 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.654 6.551 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.096 6.561 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.862 7.710 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.563 8.348 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.717 9.441 -3.175 1.00 0.00 H new ATOM 137 N GLU A 13 2.564 8.633 -5.579 1.00 0.00 N ATOM 138 CA GLU A 13 3.640 7.663 -5.691 1.00 0.00 C ATOM 139 C GLU A 13 3.634 6.722 -4.484 1.00 0.00 C ATOM 140 O GLU A 13 3.715 7.170 -3.342 1.00 0.00 O ATOM 141 CB GLU A 13 4.994 8.360 -5.835 1.00 0.00 C ATOM 142 CG GLU A 13 5.923 7.569 -6.758 1.00 0.00 C ATOM 143 CD GLU A 13 7.369 7.628 -6.263 1.00 0.00 C ATOM 144 OE1 GLU A 13 8.022 8.658 -6.539 1.00 0.00 O ATOM 145 OE2 GLU A 13 7.789 6.643 -5.619 1.00 0.00 O ATOM 0 H GLU A 13 2.690 9.326 -4.841 1.00 0.00 H new ATOM 0 HA GLU A 13 3.476 7.070 -6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.849 9.364 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.457 8.469 -4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.594 6.531 -6.808 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.865 7.971 -7.770 1.00 0.00 H new ATOM 152 N VAL A 14 3.537 5.434 -4.779 1.00 0.00 N ATOM 153 CA VAL A 14 3.519 4.425 -3.733 1.00 0.00 C ATOM 154 C VAL A 14 4.722 3.497 -3.906 1.00 0.00 C ATOM 155 O VAL A 14 4.758 2.686 -4.830 1.00 0.00 O ATOM 156 CB VAL A 14 2.182 3.681 -3.747 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.143 2.605 -2.660 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.011 4.654 -3.597 1.00 0.00 C ATOM 0 H VAL A 14 3.470 5.066 -5.728 1.00 0.00 H new ATOM 0 HA VAL A 14 3.606 4.890 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 14 2.084 3.186 -4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.182 2.091 -2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.945 1.886 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.274 3.070 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.073 4.099 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.102 5.190 -2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.022 5.367 -4.421 1.00 0.00 H new ATOM 168 N VAL A 15 5.679 3.646 -3.001 1.00 0.00 N ATOM 169 CA VAL A 15 6.881 2.830 -3.041 1.00 0.00 C ATOM 170 C VAL A 15 6.742 1.675 -2.048 1.00 0.00 C ATOM 171 O VAL A 15 7.023 1.835 -0.861 1.00 0.00 O ATOM 172 CB VAL A 15 8.112 3.700 -2.779 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.399 2.883 -2.914 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.133 4.915 -3.708 1.00 0.00 C ATOM 0 H VAL A 15 5.646 4.320 -2.236 1.00 0.00 H new ATOM 0 HA VAL A 15 7.013 2.392 -4.031 1.00 0.00 H new ATOM 0 HB VAL A 15 8.053 4.065 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.259 3.525 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.389 2.066 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.467 2.476 -3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.018 5.516 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.157 4.580 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.239 5.516 -3.541 1.00 0.00 H new ATOM 184 N LEU A 16 6.308 0.537 -2.570 1.00 0.00 N ATOM 185 CA LEU A 16 6.129 -0.645 -1.743 1.00 0.00 C ATOM 186 C LEU A 16 7.499 -1.196 -1.344 1.00 0.00 C ATOM 187 O LEU A 16 8.031 -2.085 -2.006 1.00 0.00 O ATOM 188 CB LEU A 16 5.239 -1.666 -2.455 1.00 0.00 C ATOM 189 CG LEU A 16 5.160 -3.051 -1.810 1.00 0.00 C ATOM 190 CD1 LEU A 16 4.263 -3.028 -0.570 1.00 0.00 C ATOM 191 CD2 LEU A 16 4.708 -4.104 -2.824 1.00 0.00 C ATOM 0 H LEU A 16 6.075 0.408 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 16 5.608 -0.389 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.230 -1.258 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.600 -1.783 -3.477 1.00 0.00 H new ATOM 0 HG LEU A 16 6.160 -3.331 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.224 -4.025 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.668 -2.326 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.258 -2.717 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.660 -5.079 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.722 -3.841 -3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.419 -4.143 -3.649 1.00 0.00 H new ATOM 203 N VAL A 17 8.031 -0.644 -0.263 1.00 0.00 N ATOM 204 CA VAL A 17 9.329 -1.069 0.233 1.00 0.00 C ATOM 205 C VAL A 17 9.257 -2.541 0.642 1.00 0.00 C ATOM 206 O VAL A 17 9.597 -3.425 -0.143 1.00 0.00 O ATOM 207 CB VAL A 17 9.780 -0.153 1.372 1.00 0.00 C ATOM 208 CG1 VAL A 17 11.052 -0.687 2.034 1.00 0.00 C ATOM 209 CG2 VAL A 17 9.979 1.281 0.877 1.00 0.00 C ATOM 0 H VAL A 17 7.587 0.094 0.283 1.00 0.00 H new ATOM 0 HA VAL A 17 10.083 -0.986 -0.550 1.00 0.00 H new ATOM 0 HB VAL A 17 8.991 -0.140 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.351 -0.017 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.862 -1.681 2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.851 -0.744 1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.299 1.911 1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.740 1.294 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.040 1.661 0.475 1.00 0.00 H new ATOM 219 N SER A 18 8.811 -2.760 1.870 1.00 0.00 N ATOM 220 CA SER A 18 8.690 -4.110 2.393 1.00 0.00 C ATOM 221 C SER A 18 7.602 -4.160 3.468 1.00 0.00 C ATOM 222 O SER A 18 6.869 -3.190 3.659 1.00 0.00 O ATOM 223 CB SER A 18 10.022 -4.602 2.963 1.00 0.00 C ATOM 224 OG SER A 18 10.373 -3.919 4.164 1.00 0.00 O ATOM 0 H SER A 18 8.529 -2.025 2.518 1.00 0.00 H new ATOM 0 HA SER A 18 8.411 -4.770 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.959 -5.672 3.160 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.808 -4.460 2.222 1.00 0.00 H new ATOM 0 HG SER A 18 11.228 -4.262 4.498 1.00 0.00 H new ATOM 230 N ALA A 19 7.531 -5.298 4.141 1.00 0.00 N ATOM 231 CA ALA A 19 6.545 -5.486 5.192 1.00 0.00 C ATOM 232 C ALA A 19 7.064 -6.520 6.193 1.00 0.00 C ATOM 233 O ALA A 19 7.774 -7.452 5.817 1.00 0.00 O ATOM 234 CB ALA A 19 5.209 -5.896 4.570 1.00 0.00 C ATOM 0 H ALA A 19 8.140 -6.100 3.979 1.00 0.00 H new ATOM 0 HA ALA A 19 6.380 -4.555 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.469 -6.037 5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.870 -5.115 3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.335 -6.828 4.019 1.00 0.00 H new ATOM 240 N LYS A 20 6.689 -6.322 7.448 1.00 0.00 N ATOM 241 CA LYS A 20 7.107 -7.225 8.506 1.00 0.00 C ATOM 242 C LYS A 20 5.873 -7.739 9.251 1.00 0.00 C ATOM 243 O LYS A 20 4.902 -7.005 9.429 1.00 0.00 O ATOM 244 CB LYS A 20 8.135 -6.548 9.414 1.00 0.00 C ATOM 245 CG LYS A 20 9.425 -6.241 8.650 1.00 0.00 C ATOM 246 CD LYS A 20 9.584 -4.737 8.424 1.00 0.00 C ATOM 247 CE LYS A 20 10.820 -4.201 9.149 1.00 0.00 C ATOM 248 NZ LYS A 20 11.955 -4.067 8.208 1.00 0.00 N ATOM 0 H LYS A 20 6.100 -5.549 7.756 1.00 0.00 H new ATOM 0 HA LYS A 20 7.611 -8.095 8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.718 -5.625 9.816 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.356 -7.194 10.263 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.281 -6.621 9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.415 -6.757 7.690 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.667 -4.533 7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.695 -4.216 8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.595 -3.233 9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.092 -4.873 9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.786 -3.702 8.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.179 -4.997 7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.698 -3.408 7.446 1.00 0.00 H new ATOM 262 N GLY A 21 5.951 -8.995 9.665 1.00 0.00 N ATOM 263 CA GLY A 21 4.852 -9.614 10.386 1.00 0.00 C ATOM 264 C GLY A 21 5.194 -9.781 11.868 1.00 0.00 C ATOM 265 O GLY A 21 6.320 -9.511 12.284 1.00 0.00 O ATOM 0 H GLY A 21 6.758 -9.601 9.515 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.955 -9.004 10.283 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.628 -10.587 9.949 1.00 0.00 H new ATOM 269 N LEU A 22 4.201 -10.225 12.625 1.00 0.00 N ATOM 270 CA LEU A 22 4.382 -10.431 14.052 1.00 0.00 C ATOM 271 C LEU A 22 5.340 -11.603 14.276 1.00 0.00 C ATOM 272 O LEU A 22 5.948 -12.102 13.331 1.00 0.00 O ATOM 273 CB LEU A 22 3.029 -10.601 14.745 1.00 0.00 C ATOM 274 CG LEU A 22 2.141 -9.356 14.799 1.00 0.00 C ATOM 275 CD1 LEU A 22 2.832 -8.223 15.560 1.00 0.00 C ATOM 276 CD2 LEU A 22 1.715 -8.926 13.394 1.00 0.00 C ATOM 0 H LEU A 22 3.269 -10.448 12.277 1.00 0.00 H new ATOM 0 HA LEU A 22 4.839 -9.553 14.509 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.480 -11.393 14.236 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.206 -10.941 15.765 1.00 0.00 H new ATOM 0 HG LEU A 22 1.234 -9.607 15.348 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.180 -7.350 15.584 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.044 -8.546 16.579 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.765 -7.965 15.060 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.085 -8.039 13.460 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.600 -8.699 12.799 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.157 -9.733 12.920 1.00 0.00 H new ATOM 288 N GLU A 23 5.444 -12.008 15.533 1.00 0.00 N ATOM 289 CA GLU A 23 6.317 -13.112 15.894 1.00 0.00 C ATOM 290 C GLU A 23 5.503 -14.255 16.504 1.00 0.00 C ATOM 291 O GLU A 23 6.026 -15.348 16.720 1.00 0.00 O ATOM 292 CB GLU A 23 7.418 -12.651 16.851 1.00 0.00 C ATOM 293 CG GLU A 23 7.737 -11.169 16.646 1.00 0.00 C ATOM 294 CD GLU A 23 9.234 -10.902 16.815 1.00 0.00 C ATOM 295 OE1 GLU A 23 9.748 -11.221 17.908 1.00 0.00 O ATOM 296 OE2 GLU A 23 9.831 -10.384 15.846 1.00 0.00 O ATOM 0 H GLU A 23 4.938 -11.591 16.315 1.00 0.00 H new ATOM 0 HA GLU A 23 6.799 -13.479 14.988 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.104 -12.820 17.881 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.317 -13.246 16.690 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.419 -10.859 15.651 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.174 -10.570 17.362 1.00 0.00 H new ATOM 303 N ASP A 24 4.237 -13.964 16.765 1.00 0.00 N ATOM 304 CA ASP A 24 3.346 -14.954 17.346 1.00 0.00 C ATOM 305 C ASP A 24 2.015 -14.940 16.593 1.00 0.00 C ATOM 306 O ASP A 24 0.954 -14.809 17.201 1.00 0.00 O ATOM 307 CB ASP A 24 3.061 -14.642 18.816 1.00 0.00 C ATOM 308 CG ASP A 24 2.895 -15.868 19.717 1.00 0.00 C ATOM 309 OD1 ASP A 24 1.760 -16.387 19.766 1.00 0.00 O ATOM 310 OD2 ASP A 24 3.909 -16.258 20.337 1.00 0.00 O ATOM 0 H ASP A 24 3.807 -13.057 16.585 1.00 0.00 H new ATOM 0 HA ASP A 24 3.829 -15.928 17.271 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.874 -14.030 19.206 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.154 -14.041 18.875 1.00 0.00 H new ATOM 315 N ALA A 25 2.114 -15.078 15.278 1.00 0.00 N ATOM 316 CA ALA A 25 0.930 -15.083 14.435 1.00 0.00 C ATOM 317 C ALA A 25 1.177 -15.982 13.223 1.00 0.00 C ATOM 318 O ALA A 25 2.025 -16.872 13.268 1.00 0.00 O ATOM 319 CB ALA A 25 0.582 -13.648 14.036 1.00 0.00 C ATOM 0 H ALA A 25 2.995 -15.187 14.776 1.00 0.00 H new ATOM 0 HA ALA A 25 0.074 -15.487 14.976 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.306 -13.651 13.404 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.387 -13.058 14.932 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.416 -13.210 13.488 1.00 0.00 H new ATOM 325 N ASP A 26 0.421 -15.719 12.167 1.00 0.00 N ATOM 326 CA ASP A 26 0.547 -16.494 10.944 1.00 0.00 C ATOM 327 C ASP A 26 0.296 -15.583 9.740 1.00 0.00 C ATOM 328 O ASP A 26 -0.792 -15.591 9.168 1.00 0.00 O ATOM 329 CB ASP A 26 -0.480 -17.627 10.902 1.00 0.00 C ATOM 330 CG ASP A 26 -0.060 -18.849 10.082 1.00 0.00 C ATOM 331 OD1 ASP A 26 1.150 -19.161 10.107 1.00 0.00 O ATOM 332 OD2 ASP A 26 -0.959 -19.444 9.450 1.00 0.00 O ATOM 0 H ASP A 26 -0.281 -14.980 12.133 1.00 0.00 H new ATOM 0 HA ASP A 26 1.551 -16.916 10.914 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.688 -17.947 11.923 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.413 -17.237 10.494 1.00 0.00 H new ATOM 337 N PHE A 27 1.322 -14.820 9.392 1.00 0.00 N ATOM 338 CA PHE A 27 1.226 -13.905 8.267 1.00 0.00 C ATOM 339 C PHE A 27 2.580 -13.748 7.572 1.00 0.00 C ATOM 340 O PHE A 27 3.571 -13.392 8.207 1.00 0.00 O ATOM 341 CB PHE A 27 0.795 -12.549 8.829 1.00 0.00 C ATOM 342 CG PHE A 27 0.770 -11.425 7.791 1.00 0.00 C ATOM 343 CD1 PHE A 27 0.024 -11.558 6.662 1.00 0.00 C ATOM 344 CD2 PHE A 27 1.495 -10.293 7.997 1.00 0.00 C ATOM 345 CE1 PHE A 27 0.001 -10.515 5.699 1.00 0.00 C ATOM 346 CE2 PHE A 27 1.472 -9.250 7.034 1.00 0.00 C ATOM 347 CZ PHE A 27 0.726 -9.383 5.905 1.00 0.00 C ATOM 0 H PHE A 27 2.224 -14.817 9.869 1.00 0.00 H new ATOM 0 HA PHE A 27 0.514 -14.287 7.536 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.198 -12.648 9.267 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.472 -12.270 9.636 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.551 -12.457 6.498 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.088 -10.187 8.893 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.592 -10.621 4.803 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.047 -8.351 7.198 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.709 -8.590 5.172 1.00 0.00 H new ATOM 357 N LEU A 28 2.578 -14.022 6.275 1.00 0.00 N ATOM 358 CA LEU A 28 3.794 -13.916 5.486 1.00 0.00 C ATOM 359 C LEU A 28 4.790 -14.983 5.946 1.00 0.00 C ATOM 360 O LEU A 28 5.996 -14.743 5.967 1.00 0.00 O ATOM 361 CB LEU A 28 4.348 -12.491 5.545 1.00 0.00 C ATOM 362 CG LEU A 28 3.767 -11.503 4.532 1.00 0.00 C ATOM 363 CD1 LEU A 28 2.262 -11.716 4.359 1.00 0.00 C ATOM 364 CD2 LEU A 28 4.101 -10.061 4.919 1.00 0.00 C ATOM 0 H LEU A 28 1.754 -14.317 5.751 1.00 0.00 H new ATOM 0 HA LEU A 28 3.584 -14.108 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.176 -12.097 6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.427 -12.536 5.401 1.00 0.00 H new ATOM 0 HG LEU A 28 4.232 -11.693 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.874 -11.001 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.076 -12.730 4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.761 -11.570 5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.676 -9.379 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.682 -9.841 5.901 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.183 -9.934 4.950 1.00 0.00 H new ATOM 376 N ASN A 29 4.248 -16.138 6.303 1.00 0.00 N ATOM 377 CA ASN A 29 5.074 -17.242 6.761 1.00 0.00 C ATOM 378 C ASN A 29 5.102 -18.332 5.687 1.00 0.00 C ATOM 379 O ASN A 29 4.057 -18.855 5.302 1.00 0.00 O ATOM 380 CB ASN A 29 4.510 -17.857 8.043 1.00 0.00 C ATOM 381 CG ASN A 29 5.323 -19.082 8.468 1.00 0.00 C ATOM 382 OD1 ASN A 29 5.216 -20.156 7.900 1.00 0.00 O ATOM 383 ND2 ASN A 29 6.138 -18.860 9.495 1.00 0.00 N ATOM 0 H ASN A 29 3.247 -16.333 6.284 1.00 0.00 H new ATOM 0 HA ASN A 29 6.075 -16.856 6.956 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.520 -17.115 8.841 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.470 -18.143 7.886 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.723 -19.614 9.854 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.178 -17.935 9.924 1.00 0.00 H new ATOM 390 N ASN A 30 6.308 -18.641 5.234 1.00 0.00 N ATOM 391 CA ASN A 30 6.485 -19.659 4.213 1.00 0.00 C ATOM 392 C ASN A 30 5.397 -19.503 3.149 1.00 0.00 C ATOM 393 O ASN A 30 4.429 -20.262 3.130 1.00 0.00 O ATOM 394 CB ASN A 30 6.367 -21.063 4.808 1.00 0.00 C ATOM 395 CG ASN A 30 7.533 -21.359 5.753 1.00 0.00 C ATOM 396 OD1 ASN A 30 8.186 -20.468 6.272 1.00 0.00 O ATOM 397 ND2 ASN A 30 7.758 -22.655 5.946 1.00 0.00 N ATOM 0 H ASN A 30 7.172 -18.204 5.555 1.00 0.00 H new ATOM 0 HA ASN A 30 7.478 -19.533 3.781 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.425 -21.155 5.348 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.348 -21.801 4.006 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.515 -22.955 6.560 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.173 -23.349 5.480 1.00 0.00 H new ATOM 404 N MET A 31 5.591 -18.514 2.289 1.00 0.00 N ATOM 405 CA MET A 31 4.638 -18.249 1.225 1.00 0.00 C ATOM 406 C MET A 31 5.181 -17.200 0.252 1.00 0.00 C ATOM 407 O MET A 31 6.292 -16.702 0.426 1.00 0.00 O ATOM 408 CB MET A 31 3.323 -17.753 1.829 1.00 0.00 C ATOM 409 CG MET A 31 3.582 -16.792 2.992 1.00 0.00 C ATOM 410 SD MET A 31 2.032 -16.269 3.708 1.00 0.00 S ATOM 411 CE MET A 31 1.380 -15.300 2.358 1.00 0.00 C ATOM 0 H MET A 31 6.395 -17.886 2.308 1.00 0.00 H new ATOM 0 HA MET A 31 4.469 -19.175 0.675 1.00 0.00 H new ATOM 0 HB2 MET A 31 2.733 -17.251 1.062 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.736 -18.602 2.178 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.195 -17.281 3.749 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.141 -15.925 2.640 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.291 -14.259 2.667 1.00 0.00 H new ATOM 0 HE2 MET A 31 2.053 -15.368 1.503 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.398 -15.681 2.078 1.00 0.00 H new ATOM 421 N ASP A 32 4.371 -16.895 -0.751 1.00 0.00 N ATOM 422 CA ASP A 32 4.756 -15.914 -1.752 1.00 0.00 C ATOM 423 C ASP A 32 3.628 -14.895 -1.921 1.00 0.00 C ATOM 424 O ASP A 32 2.979 -14.848 -2.965 1.00 0.00 O ATOM 425 CB ASP A 32 4.999 -16.579 -3.109 1.00 0.00 C ATOM 426 CG ASP A 32 6.317 -17.348 -3.225 1.00 0.00 C ATOM 427 OD1 ASP A 32 6.957 -17.539 -2.169 1.00 0.00 O ATOM 428 OD2 ASP A 32 6.653 -17.728 -4.367 1.00 0.00 O ATOM 0 H ASP A 32 3.450 -17.310 -0.892 1.00 0.00 H new ATOM 0 HA ASP A 32 5.674 -15.432 -1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.177 -17.264 -3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.974 -15.812 -3.883 1.00 0.00 H new ATOM 433 N PRO A 33 3.424 -14.081 -0.850 1.00 0.00 N ATOM 434 CA PRO A 33 2.385 -13.065 -0.870 1.00 0.00 C ATOM 435 C PRO A 33 2.799 -11.875 -1.738 1.00 0.00 C ATOM 436 O PRO A 33 3.983 -11.684 -2.012 1.00 0.00 O ATOM 437 CB PRO A 33 2.174 -12.691 0.588 1.00 0.00 C ATOM 438 CG PRO A 33 3.415 -13.166 1.325 1.00 0.00 C ATOM 439 CD PRO A 33 4.173 -14.107 0.403 1.00 0.00 C ATOM 0 HA PRO A 33 1.456 -13.421 -1.315 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.042 -11.615 0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.277 -13.166 0.987 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.041 -12.318 1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.139 -13.676 2.248 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.201 -13.775 0.257 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.219 -15.115 0.816 1.00 0.00 H new ATOM 447 N TYR A 34 1.800 -11.107 -2.148 1.00 0.00 N ATOM 448 CA TYR A 34 2.046 -9.941 -2.980 1.00 0.00 C ATOM 449 C TYR A 34 1.108 -8.792 -2.603 1.00 0.00 C ATOM 450 O TYR A 34 -0.035 -9.021 -2.211 1.00 0.00 O ATOM 451 CB TYR A 34 1.747 -10.377 -4.415 1.00 0.00 C ATOM 452 CG TYR A 34 0.282 -10.742 -4.663 1.00 0.00 C ATOM 453 CD1 TYR A 34 -0.164 -12.021 -4.399 1.00 0.00 C ATOM 454 CD2 TYR A 34 -0.593 -9.792 -5.150 1.00 0.00 C ATOM 455 CE1 TYR A 34 -1.543 -12.365 -4.632 1.00 0.00 C ATOM 456 CE2 TYR A 34 -1.972 -10.136 -5.382 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.379 -11.405 -5.112 1.00 0.00 C ATOM 458 OH TYR A 34 -3.681 -11.730 -5.332 1.00 0.00 O ATOM 0 H TYR A 34 0.819 -11.269 -1.920 1.00 0.00 H new ATOM 0 HA TYR A 34 3.070 -9.589 -2.855 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.030 -9.573 -5.094 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.371 -11.236 -4.660 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.521 -12.764 -4.018 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.244 -8.791 -5.357 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.905 -13.362 -4.430 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.668 -9.402 -5.762 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.766 -12.703 -5.412 1.00 0.00 H new ATOM 468 N VAL A 35 1.627 -7.580 -2.735 1.00 0.00 N ATOM 469 CA VAL A 35 0.851 -6.394 -2.414 1.00 0.00 C ATOM 470 C VAL A 35 0.128 -5.907 -3.671 1.00 0.00 C ATOM 471 O VAL A 35 0.629 -6.070 -4.782 1.00 0.00 O ATOM 472 CB VAL A 35 1.757 -5.328 -1.794 1.00 0.00 C ATOM 473 CG1 VAL A 35 0.974 -4.046 -1.502 1.00 0.00 C ATOM 474 CG2 VAL A 35 2.437 -5.855 -0.529 1.00 0.00 C ATOM 0 H VAL A 35 2.576 -7.394 -3.060 1.00 0.00 H new ATOM 0 HA VAL A 35 0.089 -6.626 -1.670 1.00 0.00 H new ATOM 0 HB VAL A 35 2.536 -5.088 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.641 -3.305 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.558 -3.654 -2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.165 -4.265 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.075 -5.078 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.679 -6.137 0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.043 -6.727 -0.778 1.00 0.00 H new ATOM 484 N GLN A 36 -1.039 -5.318 -3.453 1.00 0.00 N ATOM 485 CA GLN A 36 -1.836 -4.806 -4.555 1.00 0.00 C ATOM 486 C GLN A 36 -2.360 -3.407 -4.225 1.00 0.00 C ATOM 487 O GLN A 36 -3.372 -3.264 -3.540 1.00 0.00 O ATOM 488 CB GLN A 36 -2.986 -5.758 -4.888 1.00 0.00 C ATOM 489 CG GLN A 36 -4.167 -4.999 -5.497 1.00 0.00 C ATOM 490 CD GLN A 36 -5.164 -5.963 -6.144 1.00 0.00 C ATOM 491 OE1 GLN A 36 -4.807 -7.003 -6.672 1.00 0.00 O ATOM 492 NE2 GLN A 36 -6.429 -5.560 -6.073 1.00 0.00 N ATOM 0 H GLN A 36 -1.452 -5.184 -2.530 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.199 -4.736 -5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.641 -6.521 -5.586 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.308 -6.275 -3.984 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.668 -4.417 -4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.804 -4.292 -6.242 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.658 -4.677 -5.616 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.170 -6.134 -6.475 1.00 0.00 H new ATOM 501 N LEU A 37 -1.647 -2.409 -4.728 1.00 0.00 N ATOM 502 CA LEU A 37 -2.028 -1.026 -4.496 1.00 0.00 C ATOM 503 C LEU A 37 -3.354 -0.741 -5.203 1.00 0.00 C ATOM 504 O LEU A 37 -3.575 -1.198 -6.324 1.00 0.00 O ATOM 505 CB LEU A 37 -0.896 -0.082 -4.907 1.00 0.00 C ATOM 506 CG LEU A 37 0.327 -0.062 -3.988 1.00 0.00 C ATOM 507 CD1 LEU A 37 0.030 -0.768 -2.664 1.00 0.00 C ATOM 508 CD2 LEU A 37 1.551 -0.654 -4.691 1.00 0.00 C ATOM 0 H LEU A 37 -0.808 -2.531 -5.295 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.189 -0.849 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.568 -0.355 -5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.297 0.930 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 37 0.561 0.977 -3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.916 -0.739 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.794 -0.263 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.244 -1.805 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.406 -0.628 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.344 -1.686 -4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.775 -0.070 -5.584 1.00 0.00 H new ATOM 520 N THR A 38 -4.202 0.014 -4.520 1.00 0.00 N ATOM 521 CA THR A 38 -5.501 0.366 -5.070 1.00 0.00 C ATOM 522 C THR A 38 -5.777 1.858 -4.873 1.00 0.00 C ATOM 523 O THR A 38 -5.440 2.423 -3.834 1.00 0.00 O ATOM 524 CB THR A 38 -6.550 -0.537 -4.418 1.00 0.00 C ATOM 525 OG1 THR A 38 -5.927 -1.818 -4.373 1.00 0.00 O ATOM 526 CG2 THR A 38 -7.775 -0.750 -5.310 1.00 0.00 C ATOM 0 H THR A 38 -4.015 0.392 -3.591 1.00 0.00 H new ATOM 0 HA THR A 38 -5.533 0.201 -6.147 1.00 0.00 H new ATOM 0 HB THR A 38 -6.863 -0.102 -3.469 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.538 -2.465 -3.963 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.488 -1.398 -4.800 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.244 0.211 -5.520 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.467 -1.216 -6.246 1.00 0.00 H new ATOM 534 N CYS A 39 -6.386 2.453 -5.888 1.00 0.00 N ATOM 535 CA CYS A 39 -6.711 3.868 -5.840 1.00 0.00 C ATOM 536 C CYS A 39 -8.076 4.070 -6.500 1.00 0.00 C ATOM 537 O CYS A 39 -8.168 4.196 -7.720 1.00 0.00 O ATOM 538 CB CYS A 39 -5.626 4.720 -6.501 1.00 0.00 C ATOM 539 SG CYS A 39 -5.449 6.310 -5.611 1.00 0.00 S ATOM 0 H CYS A 39 -6.663 1.981 -6.749 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.758 4.198 -4.802 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.677 4.183 -6.496 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.882 4.904 -7.544 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.062 7.232 -6.442 1.00 0.00 H new ATOM 545 N ARG A 40 -9.104 4.096 -5.664 1.00 0.00 N ATOM 546 CA ARG A 40 -10.460 4.280 -6.151 1.00 0.00 C ATOM 547 C ARG A 40 -10.962 3.000 -6.822 1.00 0.00 C ATOM 548 O ARG A 40 -11.678 2.212 -6.207 1.00 0.00 O ATOM 549 CB ARG A 40 -10.534 5.436 -7.151 1.00 0.00 C ATOM 550 CG ARG A 40 -11.490 6.525 -6.661 1.00 0.00 C ATOM 551 CD ARG A 40 -10.926 7.918 -6.948 1.00 0.00 C ATOM 552 NE ARG A 40 -11.712 8.572 -8.019 1.00 0.00 N ATOM 553 CZ ARG A 40 -11.622 8.253 -9.317 1.00 0.00 C ATOM 554 NH1 ARG A 40 -10.781 7.288 -9.714 1.00 0.00 N ATOM 555 NH2 ARG A 40 -12.374 8.899 -10.219 1.00 0.00 N ATOM 0 H ARG A 40 -9.025 3.993 -4.652 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.091 4.515 -5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.540 5.859 -7.298 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.868 5.063 -8.119 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.457 6.412 -7.151 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.659 6.411 -5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.954 8.524 -6.043 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.881 7.841 -7.248 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.362 9.311 -7.752 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.209 6.796 -9.028 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.713 7.046 -10.702 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.014 9.633 -9.917 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.306 8.656 -11.207 1.00 0.00 H new ATOM 569 N THR A 41 -10.567 2.834 -8.076 1.00 0.00 N ATOM 570 CA THR A 41 -10.968 1.663 -8.837 1.00 0.00 C ATOM 571 C THR A 41 -9.784 1.117 -9.638 1.00 0.00 C ATOM 572 O THR A 41 -9.950 0.225 -10.469 1.00 0.00 O ATOM 573 CB THR A 41 -12.163 2.053 -9.709 1.00 0.00 C ATOM 574 OG1 THR A 41 -12.224 1.025 -10.694 1.00 0.00 O ATOM 575 CG2 THR A 41 -11.909 3.328 -10.516 1.00 0.00 C ATOM 0 H THR A 41 -9.974 3.490 -8.584 1.00 0.00 H new ATOM 0 HA THR A 41 -11.278 0.851 -8.180 1.00 0.00 H new ATOM 0 HB THR A 41 -13.041 2.192 -9.079 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.699 0.253 -10.394 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.788 3.559 -11.117 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.707 4.155 -9.835 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.051 3.179 -11.171 1.00 0.00 H new ATOM 583 N GLN A 42 -8.615 1.675 -9.360 1.00 0.00 N ATOM 584 CA GLN A 42 -7.404 1.255 -10.045 1.00 0.00 C ATOM 585 C GLN A 42 -6.489 0.493 -9.084 1.00 0.00 C ATOM 586 O GLN A 42 -5.975 1.067 -8.125 1.00 0.00 O ATOM 587 CB GLN A 42 -6.678 2.454 -10.659 1.00 0.00 C ATOM 588 CG GLN A 42 -6.046 3.328 -9.574 1.00 0.00 C ATOM 589 CD GLN A 42 -6.177 4.812 -9.921 1.00 0.00 C ATOM 590 OE1 GLN A 42 -6.961 5.545 -9.341 1.00 0.00 O ATOM 591 NE2 GLN A 42 -5.367 5.213 -10.897 1.00 0.00 N ATOM 0 H GLN A 42 -8.481 2.414 -8.670 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.683 0.585 -10.859 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.906 2.104 -11.344 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.380 3.047 -11.245 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.528 3.131 -8.616 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.993 3.069 -9.460 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.734 4.547 -11.341 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.378 6.186 -11.202 1.00 0.00 H new ATOM 600 N ASP A 43 -6.313 -0.787 -9.375 1.00 0.00 N ATOM 601 CA ASP A 43 -5.468 -1.633 -8.549 1.00 0.00 C ATOM 602 C ASP A 43 -4.198 -1.991 -9.324 1.00 0.00 C ATOM 603 O ASP A 43 -4.193 -1.977 -10.554 1.00 0.00 O ATOM 604 CB ASP A 43 -6.183 -2.936 -8.185 1.00 0.00 C ATOM 605 CG ASP A 43 -6.926 -3.611 -9.340 1.00 0.00 C ATOM 606 OD1 ASP A 43 -6.229 -4.127 -10.240 1.00 0.00 O ATOM 607 OD2 ASP A 43 -8.175 -3.595 -9.296 1.00 0.00 O ATOM 0 H ASP A 43 -6.741 -1.259 -10.171 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.230 -1.085 -7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.449 -3.636 -7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.895 -2.731 -7.385 1.00 0.00 H new ATOM 612 N GLN A 44 -3.153 -2.303 -8.573 1.00 0.00 N ATOM 613 CA GLN A 44 -1.880 -2.664 -9.174 1.00 0.00 C ATOM 614 C GLN A 44 -1.120 -3.633 -8.266 1.00 0.00 C ATOM 615 O GLN A 44 -0.820 -3.309 -7.118 1.00 0.00 O ATOM 616 CB GLN A 44 -1.041 -1.419 -9.470 1.00 0.00 C ATOM 617 CG GLN A 44 -1.605 -0.650 -10.667 1.00 0.00 C ATOM 618 CD GLN A 44 -0.641 0.449 -11.116 1.00 0.00 C ATOM 619 OE1 GLN A 44 0.509 0.206 -11.443 1.00 0.00 O ATOM 620 NE2 GLN A 44 -1.171 1.669 -11.114 1.00 0.00 N ATOM 0 H GLN A 44 -3.161 -2.313 -7.553 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.077 -3.164 -10.122 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.022 -0.772 -8.593 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.010 -1.710 -9.673 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.788 -1.338 -11.492 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.566 -0.209 -10.401 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.141 1.803 -10.829 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.607 2.470 -11.398 1.00 0.00 H new ATOM 629 N LYS A 45 -0.831 -4.804 -8.815 1.00 0.00 N ATOM 630 CA LYS A 45 -0.112 -5.823 -8.069 1.00 0.00 C ATOM 631 C LYS A 45 1.390 -5.655 -8.302 1.00 0.00 C ATOM 632 O LYS A 45 1.806 -5.098 -9.317 1.00 0.00 O ATOM 633 CB LYS A 45 -0.637 -7.216 -8.423 1.00 0.00 C ATOM 634 CG LYS A 45 -2.166 -7.255 -8.372 1.00 0.00 C ATOM 635 CD LYS A 45 -2.671 -8.680 -8.137 1.00 0.00 C ATOM 636 CE LYS A 45 -2.964 -9.384 -9.463 1.00 0.00 C ATOM 637 NZ LYS A 45 -1.708 -9.850 -10.092 1.00 0.00 N ATOM 0 H LYS A 45 -1.082 -5.070 -9.767 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.284 -5.705 -6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.296 -7.495 -9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.228 -7.950 -7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.524 -6.603 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.574 -6.870 -9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.926 -9.246 -7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.575 -8.654 -7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.628 -10.231 -9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.483 -8.702 -10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.922 -10.596 -10.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.245 -9.053 -10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.073 -10.229 -9.360 1.00 0.00 H new ATOM 651 N SER A 46 2.164 -6.146 -7.345 1.00 0.00 N ATOM 652 CA SER A 46 3.611 -6.057 -7.434 1.00 0.00 C ATOM 653 C SER A 46 4.210 -7.451 -7.633 1.00 0.00 C ATOM 654 O SER A 46 3.480 -8.435 -7.733 1.00 0.00 O ATOM 655 CB SER A 46 4.200 -5.400 -6.184 1.00 0.00 C ATOM 656 OG SER A 46 5.408 -4.699 -6.468 1.00 0.00 O ATOM 0 H SER A 46 1.816 -6.607 -6.504 1.00 0.00 H new ATOM 0 HA SER A 46 3.863 -5.434 -8.292 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.471 -4.709 -5.760 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.392 -6.163 -5.430 1.00 0.00 H new ATOM 0 HG SER A 46 5.200 -3.770 -6.701 1.00 0.00 H new ATOM 662 N ASN A 47 5.534 -7.489 -7.685 1.00 0.00 N ATOM 663 CA ASN A 47 6.239 -8.746 -7.870 1.00 0.00 C ATOM 664 C ASN A 47 5.880 -9.700 -6.729 1.00 0.00 C ATOM 665 O ASN A 47 5.464 -9.263 -5.657 1.00 0.00 O ATOM 666 CB ASN A 47 7.754 -8.535 -7.851 1.00 0.00 C ATOM 667 CG ASN A 47 8.195 -7.621 -8.996 1.00 0.00 C ATOM 668 OD1 ASN A 47 8.352 -6.421 -8.842 1.00 0.00 O ATOM 669 ND2 ASN A 47 8.385 -8.254 -10.151 1.00 0.00 N ATOM 0 H ASN A 47 6.136 -6.670 -7.602 1.00 0.00 H new ATOM 0 HA ASN A 47 5.944 -9.159 -8.835 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.052 -8.099 -6.898 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.260 -9.497 -7.934 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.680 -7.732 -10.976 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.236 -9.261 -10.211 1.00 0.00 H new ATOM 676 N VAL A 48 6.055 -10.986 -6.999 1.00 0.00 N ATOM 677 CA VAL A 48 5.755 -12.005 -6.008 1.00 0.00 C ATOM 678 C VAL A 48 6.974 -12.210 -5.107 1.00 0.00 C ATOM 679 O VAL A 48 8.077 -12.452 -5.595 1.00 0.00 O ATOM 680 CB VAL A 48 5.302 -13.292 -6.702 1.00 0.00 C ATOM 681 CG1 VAL A 48 5.458 -14.499 -5.775 1.00 0.00 C ATOM 682 CG2 VAL A 48 3.862 -13.167 -7.202 1.00 0.00 C ATOM 0 H VAL A 48 6.400 -11.345 -7.889 1.00 0.00 H new ATOM 0 HA VAL A 48 4.930 -11.686 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 48 5.945 -13.450 -7.568 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.129 -15.400 -6.293 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.505 -14.606 -5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.852 -14.352 -4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.565 -14.095 -7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.199 -12.973 -6.358 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.794 -12.344 -7.913 1.00 0.00 H new ATOM 692 N ALA A 49 6.735 -12.104 -3.808 1.00 0.00 N ATOM 693 CA ALA A 49 7.800 -12.275 -2.834 1.00 0.00 C ATOM 694 C ALA A 49 8.129 -13.763 -2.700 1.00 0.00 C ATOM 695 O ALA A 49 7.552 -14.457 -1.865 1.00 0.00 O ATOM 696 CB ALA A 49 7.380 -11.648 -1.503 1.00 0.00 C ATOM 0 H ALA A 49 5.819 -11.902 -3.407 1.00 0.00 H new ATOM 0 HA ALA A 49 8.706 -11.766 -3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.179 -11.776 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.187 -10.585 -1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.475 -12.136 -1.141 1.00 0.00 H new ATOM 702 N GLU A 50 9.057 -14.208 -3.535 1.00 0.00 N ATOM 703 CA GLU A 50 9.470 -15.601 -3.520 1.00 0.00 C ATOM 704 C GLU A 50 10.506 -15.836 -2.418 1.00 0.00 C ATOM 705 O GLU A 50 11.479 -15.092 -2.308 1.00 0.00 O ATOM 706 CB GLU A 50 10.015 -16.026 -4.885 1.00 0.00 C ATOM 707 CG GLU A 50 8.900 -16.073 -5.931 1.00 0.00 C ATOM 708 CD GLU A 50 9.477 -16.092 -7.347 1.00 0.00 C ATOM 709 OE1 GLU A 50 10.370 -15.257 -7.608 1.00 0.00 O ATOM 710 OE2 GLU A 50 9.011 -16.941 -8.138 1.00 0.00 O ATOM 0 H GLU A 50 9.534 -13.629 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 50 8.596 -16.217 -3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.789 -15.328 -5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.484 -17.007 -4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.286 -16.959 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.248 -15.208 -5.812 1.00 0.00 H new ATOM 717 N GLY A 51 10.261 -16.873 -1.631 1.00 0.00 N ATOM 718 CA GLY A 51 11.160 -17.215 -0.542 1.00 0.00 C ATOM 719 C GLY A 51 11.738 -15.956 0.107 1.00 0.00 C ATOM 720 O GLY A 51 12.923 -15.664 -0.042 1.00 0.00 O ATOM 0 H GLY A 51 9.453 -17.488 -1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.625 -17.801 0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.970 -17.840 -0.917 1.00 0.00 H new ATOM 724 N MET A 52 10.873 -15.244 0.815 1.00 0.00 N ATOM 725 CA MET A 52 11.283 -14.023 1.488 1.00 0.00 C ATOM 726 C MET A 52 11.167 -14.169 3.007 1.00 0.00 C ATOM 727 O MET A 52 11.951 -13.583 3.752 1.00 0.00 O ATOM 728 CB MET A 52 10.405 -12.861 1.019 1.00 0.00 C ATOM 729 CG MET A 52 11.253 -11.749 0.397 1.00 0.00 C ATOM 730 SD MET A 52 12.250 -12.410 -0.928 1.00 0.00 S ATOM 731 CE MET A 52 11.590 -11.484 -2.303 1.00 0.00 C ATOM 0 H MET A 52 9.890 -15.489 0.937 1.00 0.00 H new ATOM 0 HA MET A 52 12.326 -13.826 1.239 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.679 -13.220 0.290 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.840 -12.464 1.862 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.607 -10.957 0.017 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.894 -11.301 1.157 1.00 0.00 H new ATOM 0 HE1 MET A 52 11.520 -12.131 -3.177 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.598 -11.110 -2.048 1.00 0.00 H new ATOM 0 HE3 MET A 52 12.248 -10.644 -2.525 1.00 0.00 H new ATOM 741 N GLY A 53 10.183 -14.954 3.421 1.00 0.00 N ATOM 742 CA GLY A 53 9.955 -15.184 4.837 1.00 0.00 C ATOM 743 C GLY A 53 8.882 -14.238 5.380 1.00 0.00 C ATOM 744 O GLY A 53 7.943 -13.885 4.669 1.00 0.00 O ATOM 0 H GLY A 53 9.535 -15.439 2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.648 -16.218 4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.885 -15.039 5.387 1.00 0.00 H new ATOM 748 N THR A 54 9.057 -13.855 6.637 1.00 0.00 N ATOM 749 CA THR A 54 8.115 -12.957 7.283 1.00 0.00 C ATOM 750 C THR A 54 8.512 -11.500 7.038 1.00 0.00 C ATOM 751 O THR A 54 8.107 -10.609 7.782 1.00 0.00 O ATOM 752 CB THR A 54 8.051 -13.328 8.766 1.00 0.00 C ATOM 753 OG1 THR A 54 9.408 -13.583 9.119 1.00 0.00 O ATOM 754 CG2 THR A 54 7.346 -14.664 9.006 1.00 0.00 C ATOM 0 H THR A 54 9.837 -14.150 7.225 1.00 0.00 H new ATOM 0 HA THR A 54 7.115 -13.063 6.862 1.00 0.00 H new ATOM 0 HB THR A 54 7.533 -12.541 9.315 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.459 -13.829 10.066 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.328 -14.879 10.074 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.324 -14.609 8.630 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.882 -15.457 8.485 1.00 0.00 H new ATOM 762 N THR A 55 9.301 -11.304 5.991 1.00 0.00 N ATOM 763 CA THR A 55 9.757 -9.971 5.638 1.00 0.00 C ATOM 764 C THR A 55 9.948 -9.856 4.124 1.00 0.00 C ATOM 765 O THR A 55 11.076 -9.766 3.642 1.00 0.00 O ATOM 766 CB THR A 55 11.031 -9.680 6.434 1.00 0.00 C ATOM 767 OG1 THR A 55 11.718 -10.928 6.456 1.00 0.00 O ATOM 768 CG2 THR A 55 10.745 -9.386 7.908 1.00 0.00 C ATOM 0 H THR A 55 9.636 -12.046 5.376 1.00 0.00 H new ATOM 0 HA THR A 55 9.014 -9.217 5.899 1.00 0.00 H new ATOM 0 HB THR A 55 11.552 -8.832 5.989 1.00 0.00 H new ATOM 0 HG1 THR A 55 12.558 -10.830 6.951 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.682 -9.186 8.428 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.094 -8.515 7.986 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.255 -10.247 8.362 1.00 0.00 H new ATOM 776 N PRO A 56 8.798 -9.862 3.398 1.00 0.00 N ATOM 777 CA PRO A 56 8.827 -9.759 1.949 1.00 0.00 C ATOM 778 C PRO A 56 9.139 -8.328 1.507 1.00 0.00 C ATOM 779 O PRO A 56 8.706 -7.370 2.144 1.00 0.00 O ATOM 780 CB PRO A 56 7.458 -10.237 1.493 1.00 0.00 C ATOM 781 CG PRO A 56 6.557 -10.147 2.714 1.00 0.00 C ATOM 782 CD PRO A 56 7.444 -9.966 3.935 1.00 0.00 C ATOM 0 HA PRO A 56 9.615 -10.364 1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.078 -9.617 0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.506 -11.259 1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.865 -9.310 2.617 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.954 -11.050 2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.170 -9.071 4.494 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.353 -10.810 4.619 1.00 0.00 H new ATOM 790 N GLU A 57 9.888 -8.229 0.418 1.00 0.00 N ATOM 791 CA GLU A 57 10.263 -6.932 -0.117 1.00 0.00 C ATOM 792 C GLU A 57 9.723 -6.767 -1.539 1.00 0.00 C ATOM 793 O GLU A 57 9.195 -7.714 -2.119 1.00 0.00 O ATOM 794 CB GLU A 57 11.781 -6.742 -0.082 1.00 0.00 C ATOM 795 CG GLU A 57 12.284 -6.608 1.357 1.00 0.00 C ATOM 796 CD GLU A 57 12.908 -7.918 1.844 1.00 0.00 C ATOM 797 OE1 GLU A 57 13.488 -8.622 0.990 1.00 0.00 O ATOM 798 OE2 GLU A 57 12.790 -8.185 3.060 1.00 0.00 O ATOM 0 H GLU A 57 10.245 -9.027 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 57 9.818 -6.160 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.268 -7.590 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.053 -5.853 -0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.020 -5.806 1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.457 -6.330 2.011 1.00 0.00 H new ATOM 805 N TRP A 58 9.874 -5.558 -2.059 1.00 0.00 N ATOM 806 CA TRP A 58 9.408 -5.258 -3.402 1.00 0.00 C ATOM 807 C TRP A 58 10.181 -4.038 -3.909 1.00 0.00 C ATOM 808 O TRP A 58 10.663 -4.031 -5.040 1.00 0.00 O ATOM 809 CB TRP A 58 7.892 -5.056 -3.424 1.00 0.00 C ATOM 810 CG TRP A 58 7.093 -6.304 -3.044 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.738 -7.328 -3.833 1.00 0.00 C ATOM 812 CD2 TRP A 58 6.560 -6.621 -1.741 1.00 0.00 C ATOM 813 NE1 TRP A 58 6.018 -8.277 -3.136 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.907 -7.834 -1.824 1.00 0.00 C ATOM 815 CE3 TRP A 58 6.628 -5.906 -0.532 1.00 0.00 C ATOM 816 CZ2 TRP A 58 5.271 -8.438 -0.732 1.00 0.00 C ATOM 817 CZ3 TRP A 58 5.988 -6.524 0.549 1.00 0.00 C ATOM 818 CH2 TRP A 58 5.326 -7.744 0.482 1.00 0.00 C ATOM 0 H TRP A 58 10.312 -4.775 -1.575 1.00 0.00 H new ATOM 0 HA TRP A 58 9.600 -6.095 -4.073 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.633 -4.249 -2.739 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.593 -4.735 -4.422 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.984 -7.401 -4.882 1.00 0.00 H new ATOM 0 HE1 TRP A 58 5.637 -9.144 -3.515 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.134 -4.956 -0.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.765 -9.388 -0.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 6.010 -6.017 1.502 1.00 0.00 H new ATOM 0 HH2 TRP A 58 4.856 -8.155 1.363 1.00 0.00 H new ATOM 829 N ASN A 59 10.274 -3.037 -3.047 1.00 0.00 N ATOM 830 CA ASN A 59 10.980 -1.815 -3.393 1.00 0.00 C ATOM 831 C ASN A 59 10.476 -1.305 -4.744 1.00 0.00 C ATOM 832 O ASN A 59 11.197 -0.610 -5.458 1.00 0.00 O ATOM 833 CB ASN A 59 12.485 -2.063 -3.513 1.00 0.00 C ATOM 834 CG ASN A 59 12.849 -3.470 -3.034 1.00 0.00 C ATOM 835 OD1 ASN A 59 12.997 -4.399 -3.811 1.00 0.00 O ATOM 836 ND2 ASN A 59 12.983 -3.574 -1.715 1.00 0.00 N ATOM 0 H ASN A 59 9.872 -3.047 -2.109 1.00 0.00 H new ATOM 0 HA ASN A 59 10.797 -1.085 -2.604 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.797 -1.936 -4.550 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.027 -1.323 -2.924 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.224 -4.472 -1.296 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.845 -2.755 -1.122 1.00 0.00 H new ATOM 843 N GLU A 60 9.241 -1.670 -5.055 1.00 0.00 N ATOM 844 CA GLU A 60 8.631 -1.258 -6.308 1.00 0.00 C ATOM 845 C GLU A 60 8.183 0.202 -6.226 1.00 0.00 C ATOM 846 O GLU A 60 8.420 0.872 -5.222 1.00 0.00 O ATOM 847 CB GLU A 60 7.460 -2.172 -6.674 1.00 0.00 C ATOM 848 CG GLU A 60 7.911 -3.295 -7.609 1.00 0.00 C ATOM 849 CD GLU A 60 7.440 -3.039 -9.042 1.00 0.00 C ATOM 850 OE1 GLU A 60 6.231 -3.244 -9.287 1.00 0.00 O ATOM 851 OE2 GLU A 60 8.298 -2.643 -9.860 1.00 0.00 O ATOM 0 H GLU A 60 8.646 -2.247 -4.461 1.00 0.00 H new ATOM 0 HA GLU A 60 9.377 -1.344 -7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.031 -2.599 -5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.675 -1.588 -7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.998 -3.375 -7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.514 -4.247 -7.257 1.00 0.00 H new ATOM 858 N THR A 61 7.544 0.653 -7.296 1.00 0.00 N ATOM 859 CA THR A 61 7.061 2.022 -7.357 1.00 0.00 C ATOM 860 C THR A 61 5.820 2.110 -8.249 1.00 0.00 C ATOM 861 O THR A 61 5.882 1.797 -9.437 1.00 0.00 O ATOM 862 CB THR A 61 8.214 2.909 -7.831 1.00 0.00 C ATOM 863 OG1 THR A 61 9.065 3.009 -6.692 1.00 0.00 O ATOM 864 CG2 THR A 61 7.773 4.351 -8.093 1.00 0.00 C ATOM 0 H THR A 61 7.350 0.095 -8.127 1.00 0.00 H new ATOM 0 HA THR A 61 6.743 2.374 -6.376 1.00 0.00 H new ATOM 0 HB THR A 61 8.645 2.490 -8.740 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.663 2.525 -5.940 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.628 4.938 -8.427 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.002 4.361 -8.864 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.374 4.782 -7.175 1.00 0.00 H new ATOM 872 N PHE A 62 4.723 2.537 -7.641 1.00 0.00 N ATOM 873 CA PHE A 62 3.470 2.670 -8.365 1.00 0.00 C ATOM 874 C PHE A 62 3.037 4.135 -8.445 1.00 0.00 C ATOM 875 O PHE A 62 3.301 4.915 -7.531 1.00 0.00 O ATOM 876 CB PHE A 62 2.417 1.880 -7.585 1.00 0.00 C ATOM 877 CG PHE A 62 2.704 0.380 -7.497 1.00 0.00 C ATOM 878 CD1 PHE A 62 3.515 -0.100 -6.516 1.00 0.00 C ATOM 879 CD2 PHE A 62 2.148 -0.473 -8.398 1.00 0.00 C ATOM 880 CE1 PHE A 62 3.781 -1.493 -6.434 1.00 0.00 C ATOM 881 CE2 PHE A 62 2.413 -1.865 -8.316 1.00 0.00 C ATOM 882 CZ PHE A 62 3.225 -2.346 -7.336 1.00 0.00 C ATOM 0 H PHE A 62 4.676 2.795 -6.655 1.00 0.00 H new ATOM 0 HA PHE A 62 3.586 2.297 -9.383 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.347 2.286 -6.576 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.445 2.027 -8.056 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.956 0.577 -5.800 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.504 -0.091 -9.177 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.425 -1.875 -5.655 1.00 0.00 H new ATOM 0 HE2 PHE A 62 1.970 -2.542 -9.031 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.428 -3.405 -7.274 1.00 0.00 H new ATOM 892 N ILE A 63 2.378 4.465 -9.546 1.00 0.00 N ATOM 893 CA ILE A 63 1.905 5.822 -9.757 1.00 0.00 C ATOM 894 C ILE A 63 0.393 5.800 -9.994 1.00 0.00 C ATOM 895 O ILE A 63 -0.119 4.913 -10.675 1.00 0.00 O ATOM 896 CB ILE A 63 2.694 6.496 -10.881 1.00 0.00 C ATOM 897 CG1 ILE A 63 4.187 6.181 -10.769 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.427 8.002 -10.912 1.00 0.00 C ATOM 899 CD1 ILE A 63 4.787 6.810 -9.510 1.00 0.00 C ATOM 0 H ILE A 63 2.160 3.815 -10.302 1.00 0.00 H new ATOM 0 HA ILE A 63 2.080 6.429 -8.868 1.00 0.00 H new ATOM 0 HB ILE A 63 2.350 6.088 -11.831 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.334 5.101 -10.746 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.708 6.555 -11.650 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.000 8.457 -11.720 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.364 8.180 -11.076 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.726 8.444 -9.962 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.849 6.571 -9.454 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.660 7.892 -9.548 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.280 6.416 -8.629 1.00 0.00 H new ATOM 911 N PHE A 64 -0.278 6.787 -9.419 1.00 0.00 N ATOM 912 CA PHE A 64 -1.721 6.891 -9.559 1.00 0.00 C ATOM 913 C PHE A 64 -2.148 8.347 -9.759 1.00 0.00 C ATOM 914 O PHE A 64 -1.547 9.258 -9.191 1.00 0.00 O ATOM 915 CB PHE A 64 -2.336 6.365 -8.261 1.00 0.00 C ATOM 916 CG PHE A 64 -2.218 4.850 -8.086 1.00 0.00 C ATOM 917 CD1 PHE A 64 -2.924 4.015 -8.895 1.00 0.00 C ATOM 918 CD2 PHE A 64 -1.407 4.338 -7.122 1.00 0.00 C ATOM 919 CE1 PHE A 64 -2.815 2.609 -8.732 1.00 0.00 C ATOM 920 CE2 PHE A 64 -1.298 2.932 -6.959 1.00 0.00 C ATOM 921 CZ PHE A 64 -2.004 2.096 -7.768 1.00 0.00 C ATOM 0 H PHE A 64 0.150 7.521 -8.856 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.053 6.320 -10.426 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.853 6.857 -7.417 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.390 6.643 -8.231 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.567 4.422 -9.661 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.846 5.001 -6.480 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.376 1.946 -9.374 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.655 2.526 -6.193 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.920 1.026 -7.645 1.00 0.00 H new ATOM 931 N THR A 65 -3.183 8.521 -10.568 1.00 0.00 N ATOM 932 CA THR A 65 -3.698 9.850 -10.850 1.00 0.00 C ATOM 933 C THR A 65 -4.572 10.340 -9.693 1.00 0.00 C ATOM 934 O THR A 65 -5.450 9.617 -9.225 1.00 0.00 O ATOM 935 CB THR A 65 -4.436 9.797 -12.189 1.00 0.00 C ATOM 936 OG1 THR A 65 -3.399 9.904 -13.161 1.00 0.00 O ATOM 937 CG2 THR A 65 -5.301 11.036 -12.430 1.00 0.00 C ATOM 0 H THR A 65 -3.679 7.763 -11.037 1.00 0.00 H new ATOM 0 HA THR A 65 -2.890 10.577 -10.936 1.00 0.00 H new ATOM 0 HB THR A 65 -5.061 8.905 -12.224 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.789 9.876 -14.060 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.803 10.948 -13.394 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.046 11.119 -11.639 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.671 11.925 -12.429 1.00 0.00 H new ATOM 945 N VAL A 66 -4.300 11.564 -9.266 1.00 0.00 N ATOM 946 CA VAL A 66 -5.051 12.159 -8.173 1.00 0.00 C ATOM 947 C VAL A 66 -5.840 13.361 -8.696 1.00 0.00 C ATOM 948 O VAL A 66 -5.338 14.128 -9.517 1.00 0.00 O ATOM 949 CB VAL A 66 -4.106 12.518 -7.024 1.00 0.00 C ATOM 950 CG1 VAL A 66 -4.885 13.061 -5.824 1.00 0.00 C ATOM 951 CG2 VAL A 66 -3.248 11.317 -6.623 1.00 0.00 C ATOM 0 H VAL A 66 -3.570 12.160 -9.657 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.772 11.447 -7.773 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.437 13.304 -7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.191 13.309 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.432 13.956 -6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.589 12.305 -5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.586 11.600 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.894 10.500 -6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.652 10.994 -7.477 1.00 0.00 H new ATOM 961 N SER A 67 -7.062 13.487 -8.201 1.00 0.00 N ATOM 962 CA SER A 67 -7.925 14.582 -8.608 1.00 0.00 C ATOM 963 C SER A 67 -8.727 15.091 -7.409 1.00 0.00 C ATOM 964 O SER A 67 -8.483 16.190 -6.914 1.00 0.00 O ATOM 965 CB SER A 67 -8.868 14.151 -9.733 1.00 0.00 C ATOM 966 OG SER A 67 -9.315 15.259 -10.510 1.00 0.00 O ATOM 0 H SER A 67 -7.475 12.848 -7.521 1.00 0.00 H new ATOM 0 HA SER A 67 -7.297 15.389 -8.986 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.358 13.437 -10.380 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.729 13.636 -9.307 1.00 0.00 H new ATOM 0 HG SER A 67 -9.913 14.942 -11.218 1.00 0.00 H new ATOM 972 N GLU A 68 -9.669 14.266 -6.975 1.00 0.00 N ATOM 973 CA GLU A 68 -10.509 14.618 -5.843 1.00 0.00 C ATOM 974 C GLU A 68 -11.055 13.355 -5.174 1.00 0.00 C ATOM 975 O GLU A 68 -11.333 12.363 -5.846 1.00 0.00 O ATOM 976 CB GLU A 68 -11.647 15.547 -6.272 1.00 0.00 C ATOM 977 CG GLU A 68 -12.830 14.747 -6.822 1.00 0.00 C ATOM 978 CD GLU A 68 -13.976 15.675 -7.231 1.00 0.00 C ATOM 979 OE1 GLU A 68 -14.295 16.574 -6.423 1.00 0.00 O ATOM 980 OE2 GLU A 68 -14.507 15.465 -8.343 1.00 0.00 O ATOM 0 H GLU A 68 -9.869 13.355 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.899 15.156 -5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.972 16.146 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.288 16.241 -7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.508 14.160 -7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.179 14.042 -6.067 1.00 0.00 H new ATOM 987 N GLY A 69 -11.193 13.433 -3.858 1.00 0.00 N ATOM 988 CA GLY A 69 -11.700 12.308 -3.091 1.00 0.00 C ATOM 989 C GLY A 69 -10.569 11.354 -2.702 1.00 0.00 C ATOM 990 O GLY A 69 -10.527 10.863 -1.575 1.00 0.00 O ATOM 0 H GLY A 69 -10.962 14.258 -3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.199 12.671 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.447 11.772 -3.676 1.00 0.00 H new ATOM 994 N THR A 70 -9.680 11.121 -3.656 1.00 0.00 N ATOM 995 CA THR A 70 -8.552 10.235 -3.428 1.00 0.00 C ATOM 996 C THR A 70 -7.568 10.868 -2.441 1.00 0.00 C ATOM 997 O THR A 70 -6.694 11.636 -2.838 1.00 0.00 O ATOM 998 CB THR A 70 -7.925 9.907 -4.784 1.00 0.00 C ATOM 999 OG1 THR A 70 -9.011 9.396 -5.553 1.00 0.00 O ATOM 1000 CG2 THR A 70 -6.940 8.738 -4.707 1.00 0.00 C ATOM 0 H THR A 70 -9.718 11.531 -4.589 1.00 0.00 H new ATOM 0 HA THR A 70 -8.871 9.300 -2.967 1.00 0.00 H new ATOM 0 HB THR A 70 -7.412 10.788 -5.170 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.951 9.736 -6.470 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.524 8.547 -5.696 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.134 8.986 -4.016 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.459 7.847 -4.354 1.00 0.00 H new ATOM 1008 N THR A 71 -7.744 10.521 -1.175 1.00 0.00 N ATOM 1009 CA THR A 71 -6.883 11.045 -0.128 1.00 0.00 C ATOM 1010 C THR A 71 -6.320 9.904 0.721 1.00 0.00 C ATOM 1011 O THR A 71 -6.104 10.066 1.921 1.00 0.00 O ATOM 1012 CB THR A 71 -7.689 12.064 0.681 1.00 0.00 C ATOM 1013 OG1 THR A 71 -8.944 11.424 0.893 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.039 13.312 -0.132 1.00 0.00 C ATOM 0 H THR A 71 -8.470 9.883 -0.850 1.00 0.00 H new ATOM 0 HA THR A 71 -6.015 11.554 -0.548 1.00 0.00 H new ATOM 0 HB THR A 71 -7.123 12.355 1.566 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.529 12.015 1.412 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.611 14.002 0.489 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.122 13.798 -0.465 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.634 13.026 -0.999 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.097 8.775 0.064 1.00 0.00 N ATOM 1023 CA GLU A 72 -5.562 7.607 0.743 1.00 0.00 C ATOM 1024 C GLU A 72 -5.312 6.478 -0.259 1.00 0.00 C ATOM 1025 O GLU A 72 -6.007 6.374 -1.268 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.498 7.149 1.864 1.00 0.00 C ATOM 1027 CG GLU A 72 -7.546 6.167 1.336 1.00 0.00 C ATOM 1028 CD GLU A 72 -8.907 6.414 1.989 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -9.523 7.446 1.645 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -9.301 5.566 2.818 1.00 0.00 O ATOM 0 H GLU A 72 -6.277 8.644 -0.931 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.610 7.879 1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.918 6.676 2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.994 8.014 2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.634 6.270 0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.224 5.145 1.534 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.318 5.661 0.055 1.00 0.00 N ATOM 1038 CA LEU A 73 -3.967 4.544 -0.805 1.00 0.00 C ATOM 1039 C LEU A 73 -4.407 3.237 -0.142 1.00 0.00 C ATOM 1040 O LEU A 73 -4.474 3.151 1.084 1.00 0.00 O ATOM 1041 CB LEU A 73 -2.479 4.584 -1.157 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.040 3.694 -2.321 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -2.154 2.213 -1.952 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -2.821 4.029 -3.593 1.00 0.00 C ATOM 0 H LEU A 73 -3.744 5.750 0.894 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.497 4.615 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.209 5.614 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.909 4.299 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.989 3.895 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.836 1.602 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.518 2.002 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.189 1.978 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.489 3.382 -4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.886 3.874 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.645 5.070 -3.864 1.00 0.00 H new ATOM 1056 N LYS A 74 -4.696 2.253 -0.980 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.127 0.955 -0.490 1.00 0.00 C ATOM 1058 C LYS A 74 -4.084 -0.100 -0.866 1.00 0.00 C ATOM 1059 O LYS A 74 -3.711 -0.221 -2.031 1.00 0.00 O ATOM 1060 CB LYS A 74 -6.536 0.633 -0.993 1.00 0.00 C ATOM 1061 CG LYS A 74 -7.592 1.041 0.036 1.00 0.00 C ATOM 1062 CD LYS A 74 -7.534 2.544 0.316 1.00 0.00 C ATOM 1063 CE LYS A 74 -8.888 3.204 0.048 1.00 0.00 C ATOM 1064 NZ LYS A 74 -8.856 3.953 -1.228 1.00 0.00 N ATOM 0 H LYS A 74 -4.640 2.328 -1.996 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.196 0.963 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.718 1.154 -1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.617 -0.434 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.583 0.774 -0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.434 0.489 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.242 2.714 1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.770 3.005 -0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.669 2.444 0.011 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.139 3.879 0.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.783 4.395 -1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.125 4.691 -1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.638 3.301 -2.008 1.00 0.00 H new ATOM 1078 N ALA A 75 -3.644 -0.836 0.144 1.00 0.00 N ATOM 1079 CA ALA A 75 -2.652 -1.877 -0.066 1.00 0.00 C ATOM 1080 C ALA A 75 -3.138 -3.176 0.579 1.00 0.00 C ATOM 1081 O ALA A 75 -3.080 -3.329 1.798 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.304 -1.417 0.494 1.00 0.00 C ATOM 0 H ALA A 75 -3.956 -0.732 1.110 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.515 -2.068 -1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.559 -2.197 0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.989 -0.507 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.402 -1.219 1.561 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.606 -4.081 -0.269 1.00 0.00 N ATOM 1089 CA LYS A 76 -4.101 -5.363 0.202 1.00 0.00 C ATOM 1090 C LYS A 76 -3.062 -6.446 -0.092 1.00 0.00 C ATOM 1091 O LYS A 76 -2.553 -6.537 -1.209 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.480 -5.655 -0.393 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.592 -5.104 0.502 1.00 0.00 C ATOM 1094 CD LYS A 76 -7.892 -5.886 0.306 1.00 0.00 C ATOM 1095 CE LYS A 76 -8.692 -5.954 1.609 1.00 0.00 C ATOM 1096 NZ LYS A 76 -10.019 -5.323 1.436 1.00 0.00 N ATOM 0 H LYS A 76 -3.653 -3.951 -1.280 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.243 -5.343 1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.553 -5.210 -1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.607 -6.731 -0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.284 -5.159 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.759 -4.051 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.493 -5.411 -0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.665 -6.895 -0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.814 -6.993 1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.144 -5.450 2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.549 -5.378 2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.897 -4.326 1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.546 -5.821 0.690 1.00 0.00 H new ATOM 1110 N ILE A 77 -2.777 -7.241 0.929 1.00 0.00 N ATOM 1111 CA ILE A 77 -1.807 -8.315 0.794 1.00 0.00 C ATOM 1112 C ILE A 77 -2.542 -9.627 0.514 1.00 0.00 C ATOM 1113 O ILE A 77 -3.574 -9.906 1.121 1.00 0.00 O ATOM 1114 CB ILE A 77 -0.895 -8.370 2.020 1.00 0.00 C ATOM 1115 CG1 ILE A 77 -0.208 -7.023 2.254 1.00 0.00 C ATOM 1116 CG2 ILE A 77 0.114 -9.514 1.902 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -1.012 -6.160 3.229 1.00 0.00 C ATOM 0 H ILE A 77 -3.201 -7.163 1.853 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.149 -8.130 -0.055 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.512 -8.573 2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.795 -7.186 2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.096 -6.498 1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.750 -9.531 2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.418 -10.462 1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.730 -9.366 1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.502 -5.208 3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.006 -5.979 2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.101 -6.677 4.184 1.00 0.00 H new ATOM 1129 N PHE A 78 -1.981 -10.398 -0.406 1.00 0.00 N ATOM 1130 CA PHE A 78 -2.570 -11.674 -0.774 1.00 0.00 C ATOM 1131 C PHE A 78 -1.490 -12.741 -0.966 1.00 0.00 C ATOM 1132 O PHE A 78 -0.329 -12.524 -0.621 1.00 0.00 O ATOM 1133 CB PHE A 78 -3.304 -11.463 -2.099 1.00 0.00 C ATOM 1134 CG PHE A 78 -4.484 -10.494 -2.009 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -5.691 -10.932 -1.563 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -4.326 -9.194 -2.376 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -6.787 -10.033 -1.480 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -5.421 -8.294 -2.293 1.00 0.00 C ATOM 1139 CZ PHE A 78 -6.629 -8.733 -1.846 1.00 0.00 C ATOM 0 H PHE A 78 -1.124 -10.163 -0.908 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.243 -12.014 0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.596 -11.090 -2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.665 -12.426 -2.460 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.816 -11.964 -1.272 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.367 -8.846 -2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.746 -10.382 -1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.295 -7.262 -2.584 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.462 -8.049 -1.782 1.00 0.00 H new ATOM 1149 N ASP A 79 -1.910 -13.870 -1.518 1.00 0.00 N ATOM 1150 CA ASP A 79 -0.994 -14.971 -1.761 1.00 0.00 C ATOM 1151 C ASP A 79 -0.990 -15.306 -3.254 1.00 0.00 C ATOM 1152 O ASP A 79 -2.047 -15.475 -3.858 1.00 0.00 O ATOM 1153 CB ASP A 79 -1.424 -16.225 -0.996 1.00 0.00 C ATOM 1154 CG ASP A 79 -0.678 -17.504 -1.382 1.00 0.00 C ATOM 1155 OD1 ASP A 79 0.485 -17.637 -0.944 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -1.289 -18.321 -2.104 1.00 0.00 O ATOM 0 H ASP A 79 -2.873 -14.046 -1.804 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.003 -14.665 -1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.284 -16.048 0.070 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.491 -16.382 -1.156 1.00 0.00 H new ATOM 1161 N LYS A 80 0.212 -15.391 -3.805 1.00 0.00 N ATOM 1162 CA LYS A 80 0.368 -15.702 -5.216 1.00 0.00 C ATOM 1163 C LYS A 80 -0.608 -16.817 -5.598 1.00 0.00 C ATOM 1164 O LYS A 80 -1.107 -16.852 -6.722 1.00 0.00 O ATOM 1165 CB LYS A 80 1.828 -16.027 -5.535 1.00 0.00 C ATOM 1166 CG LYS A 80 2.208 -17.414 -5.015 1.00 0.00 C ATOM 1167 CD LYS A 80 3.521 -17.893 -5.638 1.00 0.00 C ATOM 1168 CE LYS A 80 3.263 -18.666 -6.933 1.00 0.00 C ATOM 1169 NZ LYS A 80 4.256 -19.751 -7.096 1.00 0.00 N ATOM 0 H LYS A 80 1.087 -15.250 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 80 0.118 -14.835 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.987 -15.983 -6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.478 -15.276 -5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.306 -17.385 -3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.413 -18.123 -5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.164 -17.037 -5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.053 -18.529 -4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.257 -19.085 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.314 -17.988 -7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.066 -20.265 -7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.212 -19.344 -7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.188 -20.407 -6.292 1.00 0.00 H new ATOM 1183 N ASP A 81 -0.850 -17.701 -4.642 1.00 0.00 N ATOM 1184 CA ASP A 81 -1.757 -18.814 -4.864 1.00 0.00 C ATOM 1185 C ASP A 81 -3.156 -18.433 -4.374 1.00 0.00 C ATOM 1186 O ASP A 81 -3.822 -19.225 -3.709 1.00 0.00 O ATOM 1187 CB ASP A 81 -1.307 -20.055 -4.090 1.00 0.00 C ATOM 1188 CG ASP A 81 -1.419 -21.373 -4.859 1.00 0.00 C ATOM 1189 OD1 ASP A 81 -1.192 -21.334 -6.088 1.00 0.00 O ATOM 1190 OD2 ASP A 81 -1.729 -22.389 -4.201 1.00 0.00 O ATOM 0 H ASP A 81 -0.434 -17.669 -3.711 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.762 -19.036 -5.931 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.270 -19.917 -3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.901 -20.132 -3.179 1.00 0.00 H new ATOM 1195 N VAL A 82 -3.559 -17.220 -4.722 1.00 0.00 N ATOM 1196 CA VAL A 82 -4.866 -16.724 -4.326 1.00 0.00 C ATOM 1197 C VAL A 82 -5.293 -15.605 -5.278 1.00 0.00 C ATOM 1198 O VAL A 82 -4.449 -14.939 -5.875 1.00 0.00 O ATOM 1199 CB VAL A 82 -4.837 -16.284 -2.861 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -6.142 -15.587 -2.471 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -4.553 -17.470 -1.937 1.00 0.00 C ATOM 0 H VAL A 82 -3.004 -16.566 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.612 -17.515 -4.399 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.025 -15.566 -2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.094 -15.285 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.285 -14.706 -3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.977 -16.273 -2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.538 -17.129 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.332 -18.222 -2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.586 -17.905 -2.190 1.00 0.00 H new ATOM 1211 N GLY A 83 -6.602 -15.433 -5.389 1.00 0.00 N ATOM 1212 CA GLY A 83 -7.150 -14.406 -6.259 1.00 0.00 C ATOM 1213 C GLY A 83 -7.497 -13.145 -5.466 1.00 0.00 C ATOM 1214 O GLY A 83 -8.073 -13.227 -4.382 1.00 0.00 O ATOM 0 H GLY A 83 -7.299 -15.987 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.429 -14.162 -7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.043 -14.784 -6.757 1.00 0.00 H new ATOM 1218 N THR A 84 -7.132 -12.006 -6.037 1.00 0.00 N ATOM 1219 CA THR A 84 -7.397 -10.729 -5.397 1.00 0.00 C ATOM 1220 C THR A 84 -8.766 -10.748 -4.715 1.00 0.00 C ATOM 1221 O THR A 84 -8.968 -10.081 -3.702 1.00 0.00 O ATOM 1222 CB THR A 84 -7.261 -9.633 -6.456 1.00 0.00 C ATOM 1223 OG1 THR A 84 -8.006 -10.127 -7.565 1.00 0.00 O ATOM 1224 CG2 THR A 84 -5.833 -9.510 -6.992 1.00 0.00 C ATOM 0 H THR A 84 -6.655 -11.941 -6.936 1.00 0.00 H new ATOM 0 HA THR A 84 -6.677 -10.527 -4.604 1.00 0.00 H new ATOM 0 HB THR A 84 -7.573 -8.679 -6.032 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.972 -9.477 -8.297 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.792 -8.718 -7.740 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.156 -9.270 -6.172 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.532 -10.454 -7.446 1.00 0.00 H new ATOM 1232 N GLU A 85 -9.671 -11.520 -5.298 1.00 0.00 N ATOM 1233 CA GLU A 85 -11.016 -11.635 -4.759 1.00 0.00 C ATOM 1234 C GLU A 85 -11.217 -13.013 -4.124 1.00 0.00 C ATOM 1235 O GLU A 85 -12.095 -13.769 -4.538 1.00 0.00 O ATOM 1236 CB GLU A 85 -12.065 -11.372 -5.841 1.00 0.00 C ATOM 1237 CG GLU A 85 -11.713 -12.107 -7.136 1.00 0.00 C ATOM 1238 CD GLU A 85 -12.873 -12.049 -8.132 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -12.893 -11.084 -8.925 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -13.714 -12.972 -8.077 1.00 0.00 O ATOM 0 H GLU A 85 -9.500 -12.072 -6.138 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.142 -10.878 -3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.044 -11.696 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.134 -10.301 -6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.824 -11.661 -7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.471 -13.146 -6.914 1.00 0.00 H new ATOM 1247 N ASP A 86 -10.389 -13.297 -3.130 1.00 0.00 N ATOM 1248 CA ASP A 86 -10.465 -14.571 -2.434 1.00 0.00 C ATOM 1249 C ASP A 86 -10.285 -14.338 -0.932 1.00 0.00 C ATOM 1250 O ASP A 86 -11.233 -14.474 -0.161 1.00 0.00 O ATOM 1251 CB ASP A 86 -9.360 -15.520 -2.901 1.00 0.00 C ATOM 1252 CG ASP A 86 -9.275 -16.840 -2.132 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -9.852 -16.891 -1.025 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -8.634 -17.769 -2.669 1.00 0.00 O ATOM 0 H ASP A 86 -9.662 -12.667 -2.790 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.437 -15.016 -2.649 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.514 -15.741 -3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.402 -15.007 -2.819 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.061 -13.990 -0.563 1.00 0.00 N ATOM 1260 CA ASP A 87 -8.744 -13.736 0.833 1.00 0.00 C ATOM 1261 C ASP A 87 -7.368 -13.075 0.927 1.00 0.00 C ATOM 1262 O ASP A 87 -6.351 -13.707 0.644 1.00 0.00 O ATOM 1263 CB ASP A 87 -8.698 -15.040 1.632 1.00 0.00 C ATOM 1264 CG ASP A 87 -9.179 -14.927 3.080 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -9.725 -13.854 3.416 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -8.990 -15.917 3.820 1.00 0.00 O ATOM 0 H ASP A 87 -8.277 -13.878 -1.206 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.519 -13.088 1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.307 -15.785 1.119 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.674 -15.412 1.633 1.00 0.00 H new ATOM 1271 N ALA A 88 -7.379 -11.812 1.326 1.00 0.00 N ATOM 1272 CA ALA A 88 -6.145 -11.058 1.461 1.00 0.00 C ATOM 1273 C ALA A 88 -5.561 -11.289 2.856 1.00 0.00 C ATOM 1274 O ALA A 88 -6.176 -10.927 3.858 1.00 0.00 O ATOM 1275 CB ALA A 88 -6.416 -9.579 1.181 1.00 0.00 C ATOM 0 H ALA A 88 -8.224 -11.291 1.560 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.407 -11.397 0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.490 -9.014 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.801 -9.465 0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.151 -9.203 1.893 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.381 -11.892 2.876 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.707 -12.176 4.132 1.00 0.00 C ATOM 1283 C VAL A 89 -3.895 -10.994 5.085 1.00 0.00 C ATOM 1284 O VAL A 89 -3.930 -11.173 6.302 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.236 -12.508 3.873 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -2.057 -13.993 3.551 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.665 -11.631 2.757 1.00 0.00 C ATOM 0 H VAL A 89 -3.875 -12.192 2.043 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.144 -13.052 4.611 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.678 -12.295 4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.002 -14.202 3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.407 -14.592 4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.634 -14.244 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.618 -11.887 2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.228 -11.798 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.741 -10.582 3.043 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.011 -9.813 4.497 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.194 -8.602 5.278 1.00 0.00 C ATOM 1299 C GLY A 90 -4.271 -7.371 4.373 1.00 0.00 C ATOM 1300 O GLY A 90 -4.220 -7.491 3.150 1.00 0.00 O ATOM 0 H GLY A 90 -3.982 -9.669 3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.107 -8.681 5.869 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.368 -8.490 5.980 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.393 -6.215 5.009 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.477 -4.963 4.276 1.00 0.00 C ATOM 1306 C GLU A 91 -3.900 -3.819 5.111 1.00 0.00 C ATOM 1307 O GLU A 91 -3.548 -4.011 6.274 1.00 0.00 O ATOM 1308 CB GLU A 91 -5.920 -4.667 3.862 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.733 -4.139 5.046 1.00 0.00 C ATOM 1310 CD GLU A 91 -7.131 -2.677 4.829 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -6.279 -1.808 5.112 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -8.280 -2.462 4.384 1.00 0.00 O ATOM 0 H GLU A 91 -4.436 -6.119 6.024 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.884 -5.056 3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.928 -3.934 3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.384 -5.574 3.473 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.628 -4.748 5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.149 -4.229 5.962 1.00 0.00 H new ATOM 1319 N ALA A 92 -3.822 -2.653 4.486 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.294 -1.478 5.158 1.00 0.00 C ATOM 1321 C ALA A 92 -3.797 -0.220 4.447 1.00 0.00 C ATOM 1322 O ALA A 92 -3.874 -0.185 3.220 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.766 -1.554 5.196 1.00 0.00 C ATOM 0 H ALA A 92 -4.116 -2.497 3.522 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.644 -1.437 6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.370 -0.672 5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.460 -2.449 5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.378 -1.594 4.178 1.00 0.00 H new ATOM 1329 N THR A 93 -4.128 0.782 5.248 1.00 0.00 N ATOM 1330 CA THR A 93 -4.622 2.039 4.711 1.00 0.00 C ATOM 1331 C THR A 93 -3.557 3.129 4.840 1.00 0.00 C ATOM 1332 O THR A 93 -3.239 3.564 5.946 1.00 0.00 O ATOM 1333 CB THR A 93 -5.929 2.378 5.429 1.00 0.00 C ATOM 1334 OG1 THR A 93 -6.883 1.491 4.851 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.450 3.771 5.069 1.00 0.00 C ATOM 0 H THR A 93 -4.064 0.749 6.265 1.00 0.00 H new ATOM 0 HA THR A 93 -4.832 1.959 3.644 1.00 0.00 H new ATOM 0 HB THR A 93 -5.778 2.314 6.507 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.760 1.642 5.261 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.379 3.962 5.605 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.709 4.520 5.349 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.633 3.825 3.996 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.034 3.540 3.693 1.00 0.00 N ATOM 1344 CA ILE A 94 -2.011 4.572 3.664 1.00 0.00 C ATOM 1345 C ILE A 94 -2.622 5.874 3.142 1.00 0.00 C ATOM 1346 O ILE A 94 -2.904 5.998 1.952 1.00 0.00 O ATOM 1347 CB ILE A 94 -0.796 4.099 2.865 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.229 2.802 3.445 1.00 0.00 C ATOM 1349 CG2 ILE A 94 0.264 5.199 2.776 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.376 1.646 2.453 1.00 0.00 C ATOM 0 H ILE A 94 -3.300 3.177 2.778 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.643 4.773 4.670 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.120 3.881 1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.823 2.940 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.747 2.558 4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.117 4.837 2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.160 6.074 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.591 5.472 3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.035 0.736 2.891 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.431 1.494 2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.163 1.883 1.536 1.00 0.00 H new ATOM 1362 N PRO A 95 -2.812 6.837 4.084 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.384 8.126 3.731 1.00 0.00 C ATOM 1364 C PRO A 95 -2.362 8.996 2.997 1.00 0.00 C ATOM 1365 O PRO A 95 -1.188 9.024 3.363 1.00 0.00 O ATOM 1366 CB PRO A 95 -3.839 8.728 5.050 1.00 0.00 C ATOM 1367 CG PRO A 95 -3.092 7.970 6.135 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.490 6.725 5.503 1.00 0.00 C ATOM 0 HA PRO A 95 -4.221 8.040 3.038 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.613 9.793 5.092 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.917 8.626 5.174 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.310 8.594 6.568 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.768 7.698 6.945 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.413 6.682 5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.913 5.818 5.935 1.00 0.00 H new ATOM 1376 N LEU A 96 -2.846 9.686 1.975 1.00 0.00 N ATOM 1377 CA LEU A 96 -1.989 10.556 1.186 1.00 0.00 C ATOM 1378 C LEU A 96 -2.110 11.990 1.705 1.00 0.00 C ATOM 1379 O LEU A 96 -1.524 12.910 1.137 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.305 10.411 -0.304 1.00 0.00 C ATOM 1381 CG LEU A 96 -2.540 8.985 -0.805 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -3.201 8.990 -2.184 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -1.238 8.180 -0.796 1.00 0.00 C ATOM 0 H LEU A 96 -3.820 9.661 1.675 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.944 10.264 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.193 11.004 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.482 10.844 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.229 8.491 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.357 7.964 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.161 9.502 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.557 9.508 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.432 7.170 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.507 8.663 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.846 8.133 0.220 1.00 0.00 H new ATOM 1395 N GLU A 97 -2.875 12.135 2.777 1.00 0.00 N ATOM 1396 CA GLU A 97 -3.080 13.442 3.378 1.00 0.00 C ATOM 1397 C GLU A 97 -1.746 14.027 3.846 1.00 0.00 C ATOM 1398 O GLU A 97 -1.494 15.219 3.680 1.00 0.00 O ATOM 1399 CB GLU A 97 -4.080 13.363 4.534 1.00 0.00 C ATOM 1400 CG GLU A 97 -5.206 14.383 4.355 1.00 0.00 C ATOM 1401 CD GLU A 97 -6.100 14.436 5.596 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -5.622 14.977 6.616 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -7.240 13.934 5.496 1.00 0.00 O ATOM 0 H GLU A 97 -3.360 11.369 3.245 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.500 14.106 2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.500 12.358 4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.566 13.545 5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.782 15.369 4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.804 14.120 3.482 1.00 0.00 H new ATOM 1410 N PRO A 98 -0.904 13.137 4.437 1.00 0.00 N ATOM 1411 CA PRO A 98 0.398 13.552 4.930 1.00 0.00 C ATOM 1412 C PRO A 98 1.379 13.766 3.775 1.00 0.00 C ATOM 1413 O PRO A 98 2.315 14.556 3.889 1.00 0.00 O ATOM 1414 CB PRO A 98 0.830 12.446 5.879 1.00 0.00 C ATOM 1415 CG PRO A 98 -0.025 11.239 5.529 1.00 0.00 C ATOM 1416 CD PRO A 98 -1.169 11.717 4.650 1.00 0.00 C ATOM 0 HA PRO A 98 0.366 14.512 5.446 1.00 0.00 H new ATOM 0 HB2 PRO A 98 1.890 12.221 5.760 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.681 12.742 6.917 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.569 10.489 5.007 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.410 10.768 6.434 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.197 11.173 3.706 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.133 11.562 5.135 1.00 0.00 H new ATOM 1424 N VAL A 99 1.131 13.048 2.690 1.00 0.00 N ATOM 1425 CA VAL A 99 1.981 13.150 1.515 1.00 0.00 C ATOM 1426 C VAL A 99 1.449 14.255 0.601 1.00 0.00 C ATOM 1427 O VAL A 99 2.061 14.570 -0.419 1.00 0.00 O ATOM 1428 CB VAL A 99 2.075 11.791 0.819 1.00 0.00 C ATOM 1429 CG1 VAL A 99 0.918 11.597 -0.164 1.00 0.00 C ATOM 1430 CG2 VAL A 99 3.424 11.627 0.116 1.00 0.00 C ATOM 0 H VAL A 99 0.354 12.393 2.599 1.00 0.00 H new ATOM 0 HA VAL A 99 2.996 13.425 1.800 1.00 0.00 H new ATOM 0 HB VAL A 99 1.999 11.018 1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.009 10.623 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.029 11.649 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.949 12.380 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.465 10.653 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.542 12.411 -0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.227 11.700 0.849 1.00 0.00 H new ATOM 1440 N PHE A 100 0.316 14.814 0.998 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.305 15.878 0.227 1.00 0.00 C ATOM 1442 C PHE A 100 0.100 17.252 0.763 1.00 0.00 C ATOM 1443 O PHE A 100 0.242 18.204 -0.003 1.00 0.00 O ATOM 1444 CB PHE A 100 -1.819 15.712 0.374 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.417 14.627 -0.524 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -1.605 13.877 -1.317 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -3.760 14.412 -0.529 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -2.160 12.870 -2.150 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -4.314 13.405 -1.363 1.00 0.00 C ATOM 1450 CZ PHE A 100 -3.503 12.655 -2.155 1.00 0.00 C ATOM 0 H PHE A 100 -0.189 14.550 1.844 1.00 0.00 H new ATOM 0 HA PHE A 100 0.012 15.816 -0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.049 15.476 1.413 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.302 16.663 0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.539 14.048 -1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.405 15.007 0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.516 12.275 -2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.381 13.235 -1.368 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.925 11.889 -2.788 1.00 0.00 H new ATOM 1460 N VAL A 101 0.276 17.312 2.075 1.00 0.00 N ATOM 1461 CA VAL A 101 0.662 18.554 2.722 1.00 0.00 C ATOM 1462 C VAL A 101 2.188 18.660 2.744 1.00 0.00 C ATOM 1463 O VAL A 101 2.740 19.752 2.623 1.00 0.00 O ATOM 1464 CB VAL A 101 0.037 18.633 4.117 1.00 0.00 C ATOM 1465 CG1 VAL A 101 -1.428 18.195 4.087 1.00 0.00 C ATOM 1466 CG2 VAL A 101 0.838 17.805 5.124 1.00 0.00 C ATOM 0 H VAL A 101 0.158 16.520 2.707 1.00 0.00 H new ATOM 0 HA VAL A 101 0.285 19.410 2.162 1.00 0.00 H new ATOM 0 HB VAL A 101 0.068 19.674 4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.848 18.261 5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.989 18.846 3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.493 17.166 3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.373 17.878 6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.854 16.762 4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.859 18.184 5.177 1.00 0.00 H new ATOM 1476 N GLU A 102 2.827 17.509 2.898 1.00 0.00 N ATOM 1477 CA GLU A 102 4.279 17.459 2.937 1.00 0.00 C ATOM 1478 C GLU A 102 4.846 17.399 1.517 1.00 0.00 C ATOM 1479 O GLU A 102 5.786 18.121 1.190 1.00 0.00 O ATOM 1480 CB GLU A 102 4.764 16.272 3.772 1.00 0.00 C ATOM 1481 CG GLU A 102 4.224 16.350 5.201 1.00 0.00 C ATOM 1482 CD GLU A 102 5.302 16.841 6.169 1.00 0.00 C ATOM 1483 OE1 GLU A 102 5.798 17.966 5.943 1.00 0.00 O ATOM 1484 OE2 GLU A 102 5.607 16.081 7.113 1.00 0.00 O ATOM 0 H GLU A 102 2.366 16.605 2.997 1.00 0.00 H new ATOM 0 HA GLU A 102 4.642 18.369 3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.441 15.340 3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.854 16.258 3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.367 17.023 5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.870 15.368 5.514 1.00 0.00 H new ATOM 1491 N GLY A 103 4.250 16.531 0.713 1.00 0.00 N ATOM 1492 CA GLY A 103 4.685 16.367 -0.664 1.00 0.00 C ATOM 1493 C GLY A 103 5.624 15.168 -0.804 1.00 0.00 C ATOM 1494 O GLY A 103 6.028 14.816 -1.912 1.00 0.00 O ATOM 0 H GLY A 103 3.470 15.934 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.817 16.231 -1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.192 17.272 -0.999 1.00 0.00 H new ATOM 1498 N SER A 104 5.946 14.573 0.335 1.00 0.00 N ATOM 1499 CA SER A 104 6.831 13.420 0.354 1.00 0.00 C ATOM 1500 C SER A 104 6.837 12.788 1.747 1.00 0.00 C ATOM 1501 O SER A 104 7.037 13.478 2.745 1.00 0.00 O ATOM 1502 CB SER A 104 8.252 13.810 -0.058 1.00 0.00 C ATOM 1503 OG SER A 104 8.809 14.793 0.810 1.00 0.00 O ATOM 0 H SER A 104 5.610 14.868 1.252 1.00 0.00 H new ATOM 0 HA SER A 104 6.460 12.692 -0.367 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.886 12.923 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.241 14.192 -1.079 1.00 0.00 H new ATOM 0 HG SER A 104 8.413 14.704 1.702 1.00 0.00 H new ATOM 1509 N ILE A 105 6.615 11.482 1.770 1.00 0.00 N ATOM 1510 CA ILE A 105 6.593 10.749 3.025 1.00 0.00 C ATOM 1511 C ILE A 105 7.561 9.567 2.937 1.00 0.00 C ATOM 1512 O ILE A 105 7.658 8.915 1.899 1.00 0.00 O ATOM 1513 CB ILE A 105 5.161 10.346 3.384 1.00 0.00 C ATOM 1514 CG1 ILE A 105 4.224 11.555 3.342 1.00 0.00 C ATOM 1515 CG2 ILE A 105 5.116 9.632 4.737 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.674 12.631 4.332 1.00 0.00 C ATOM 0 H ILE A 105 6.449 10.913 0.940 1.00 0.00 H new ATOM 0 HA ILE A 105 6.936 11.382 3.843 1.00 0.00 H new ATOM 0 HB ILE A 105 4.807 9.639 2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.203 11.969 2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.207 11.240 3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.087 9.356 4.969 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.732 8.734 4.695 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.497 10.297 5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.991 13.479 4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.670 12.221 5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.681 12.961 4.078 1.00 0.00 H new ATOM 1528 N PRO A 106 8.271 9.321 4.070 1.00 0.00 N ATOM 1529 CA PRO A 106 9.228 8.229 4.131 1.00 0.00 C ATOM 1530 C PRO A 106 8.515 6.880 4.244 1.00 0.00 C ATOM 1531 O PRO A 106 7.306 6.830 4.466 1.00 0.00 O ATOM 1532 CB PRO A 106 10.104 8.540 5.334 1.00 0.00 C ATOM 1533 CG PRO A 106 9.321 9.538 6.172 1.00 0.00 C ATOM 1534 CD PRO A 106 8.182 10.072 5.319 1.00 0.00 C ATOM 0 HA PRO A 106 9.831 8.147 3.226 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.320 7.636 5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 106 11.061 8.958 5.023 1.00 0.00 H new ATOM 0 HG2 PRO A 106 8.933 9.060 7.071 1.00 0.00 H new ATOM 0 HG3 PRO A 106 9.968 10.353 6.498 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.218 9.920 5.805 1.00 0.00 H new ATOM 0 HD3 PRO A 106 8.286 11.143 5.145 1.00 0.00 H new ATOM 1542 N PRO A 107 9.314 5.792 4.081 1.00 0.00 N ATOM 1543 CA PRO A 107 8.772 4.446 4.162 1.00 0.00 C ATOM 1544 C PRO A 107 8.481 4.059 5.614 1.00 0.00 C ATOM 1545 O PRO A 107 9.394 3.715 6.363 1.00 0.00 O ATOM 1546 CB PRO A 107 9.819 3.560 3.509 1.00 0.00 C ATOM 1547 CG PRO A 107 11.106 4.369 3.506 1.00 0.00 C ATOM 1548 CD PRO A 107 10.749 5.813 3.817 1.00 0.00 C ATOM 0 HA PRO A 107 7.813 4.347 3.653 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.944 2.630 4.063 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.525 3.290 2.495 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.803 3.980 4.248 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.599 4.298 2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.305 6.181 4.679 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.988 6.469 2.980 1.00 0.00 H new ATOM 1556 N THR A 108 7.206 4.127 5.967 1.00 0.00 N ATOM 1557 CA THR A 108 6.783 3.788 7.315 1.00 0.00 C ATOM 1558 C THR A 108 5.956 2.501 7.307 1.00 0.00 C ATOM 1559 O THR A 108 5.255 2.216 6.337 1.00 0.00 O ATOM 1560 CB THR A 108 6.031 4.989 7.891 1.00 0.00 C ATOM 1561 OG1 THR A 108 7.063 5.849 8.367 1.00 0.00 O ATOM 1562 CG2 THR A 108 5.234 4.633 9.148 1.00 0.00 C ATOM 0 H THR A 108 6.452 4.412 5.342 1.00 0.00 H new ATOM 0 HA THR A 108 7.639 3.583 7.958 1.00 0.00 H new ATOM 0 HB THR A 108 5.356 5.391 7.135 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.664 6.655 8.756 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.719 5.521 9.516 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.502 3.862 8.908 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.913 4.262 9.916 1.00 0.00 H new ATOM 1570 N ALA A 109 6.066 1.758 8.398 1.00 0.00 N ATOM 1571 CA ALA A 109 5.338 0.507 8.529 1.00 0.00 C ATOM 1572 C ALA A 109 3.920 0.798 9.025 1.00 0.00 C ATOM 1573 O ALA A 109 3.722 1.117 10.196 1.00 0.00 O ATOM 1574 CB ALA A 109 6.101 -0.434 9.463 1.00 0.00 C ATOM 0 H ALA A 109 6.649 1.998 9.200 1.00 0.00 H new ATOM 0 HA ALA A 109 5.255 0.009 7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.554 -1.372 9.561 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.091 -0.632 9.051 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.203 0.030 10.444 1.00 0.00 H new ATOM 1580 N TYR A 110 2.970 0.676 8.109 1.00 0.00 N ATOM 1581 CA TYR A 110 1.577 0.922 8.440 1.00 0.00 C ATOM 1582 C TYR A 110 0.915 -0.339 8.998 1.00 0.00 C ATOM 1583 O TYR A 110 1.088 -1.429 8.454 1.00 0.00 O ATOM 1584 CB TYR A 110 0.893 1.303 7.125 1.00 0.00 C ATOM 1585 CG TYR A 110 1.449 2.573 6.479 1.00 0.00 C ATOM 1586 CD1 TYR A 110 1.082 3.812 6.964 1.00 0.00 C ATOM 1587 CD2 TYR A 110 2.319 2.480 5.411 1.00 0.00 C ATOM 1588 CE1 TYR A 110 1.605 5.007 6.356 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.842 3.676 4.803 1.00 0.00 C ATOM 1590 CZ TYR A 110 2.460 4.880 5.306 1.00 0.00 C ATOM 1591 OH TYR A 110 2.955 6.009 4.731 1.00 0.00 O ATOM 0 H TYR A 110 3.138 0.410 7.139 1.00 0.00 H new ATOM 0 HA TYR A 110 1.494 1.702 9.197 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.994 0.476 6.422 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.173 1.438 7.308 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.402 3.885 7.800 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.607 1.511 5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.325 5.983 6.725 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.522 3.618 3.966 1.00 0.00 H new ATOM 0 HH TYR A 110 3.553 5.765 3.994 1.00 0.00 H new ATOM 1601 N ASN A 111 0.171 -0.150 10.078 1.00 0.00 N ATOM 1602 CA ASN A 111 -0.518 -1.259 10.716 1.00 0.00 C ATOM 1603 C ASN A 111 -1.291 -2.050 9.659 1.00 0.00 C ATOM 1604 O ASN A 111 -2.148 -1.499 8.970 1.00 0.00 O ATOM 1605 CB ASN A 111 -1.519 -0.758 11.759 1.00 0.00 C ATOM 1606 CG ASN A 111 -0.903 0.338 12.630 1.00 0.00 C ATOM 1607 OD1 ASN A 111 0.193 0.816 12.388 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -1.666 0.709 13.654 1.00 0.00 N ATOM 0 H ASN A 111 0.030 0.755 10.527 1.00 0.00 H new ATOM 0 HA ASN A 111 0.229 -1.884 11.205 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.408 -0.373 11.259 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.841 -1.589 12.387 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.343 1.435 14.294 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.574 0.268 13.800 1.00 0.00 H new ATOM 1615 N VAL A 112 -0.960 -3.330 9.565 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.613 -4.202 8.604 1.00 0.00 C ATOM 1617 C VAL A 112 -2.595 -5.118 9.337 1.00 0.00 C ATOM 1618 O VAL A 112 -2.185 -5.973 10.121 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.564 -4.973 7.800 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -1.218 -6.060 6.945 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.270 -4.024 6.936 1.00 0.00 C ATOM 0 H VAL A 112 -0.249 -3.783 10.138 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.188 -3.616 7.887 1.00 0.00 H new ATOM 0 HB VAL A 112 0.107 -5.461 8.506 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.450 -6.593 6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.748 -6.761 7.590 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.923 -5.602 6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.008 -4.597 6.375 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.383 -3.495 6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.780 -3.303 7.575 1.00 0.00 H new ATOM 1631 N VAL A 113 -3.873 -4.908 9.057 1.00 0.00 N ATOM 1632 CA VAL A 113 -4.916 -5.703 9.681 1.00 0.00 C ATOM 1633 C VAL A 113 -5.581 -6.584 8.621 1.00 0.00 C ATOM 1634 O VAL A 113 -5.311 -6.440 7.430 1.00 0.00 O ATOM 1635 CB VAL A 113 -5.907 -4.791 10.407 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.591 -4.720 11.903 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -5.924 -3.394 9.784 1.00 0.00 C ATOM 0 H VAL A 113 -4.209 -4.198 8.406 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.492 -6.365 10.436 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.903 -5.220 10.294 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.310 -4.066 12.396 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.653 -5.718 12.336 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.585 -4.325 12.044 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.637 -2.766 10.319 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.929 -2.953 9.852 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.218 -3.466 8.737 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.439 -7.477 9.094 1.00 0.00 N ATOM 1648 CA LYS A 114 -7.145 -8.381 8.202 1.00 0.00 C ATOM 1649 C LYS A 114 -8.521 -8.700 8.790 1.00 0.00 C ATOM 1650 O LYS A 114 -8.662 -9.630 9.582 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.297 -9.622 7.915 1.00 0.00 C ATOM 1652 CG LYS A 114 -6.888 -10.437 6.763 1.00 0.00 C ATOM 1653 CD LYS A 114 -7.740 -11.593 7.290 1.00 0.00 C ATOM 1654 CE LYS A 114 -8.116 -12.556 6.162 1.00 0.00 C ATOM 1655 NZ LYS A 114 -7.969 -13.959 6.607 1.00 0.00 N ATOM 0 H LYS A 114 -6.661 -7.593 10.083 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.313 -7.907 7.235 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.279 -9.322 7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.238 -10.241 8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.497 -9.791 6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.084 -10.828 6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.192 -12.130 8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.645 -11.200 7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.144 -12.374 5.848 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.481 -12.375 5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.228 -14.599 5.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.982 -14.134 6.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.593 -14.132 7.421 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.502 -7.909 8.379 1.00 0.00 N ATOM 1670 CA ASP A 115 -10.862 -8.095 8.856 1.00 0.00 C ATOM 1671 C ASP A 115 -11.042 -7.346 10.178 1.00 0.00 C ATOM 1672 O ASP A 115 -12.153 -6.951 10.526 1.00 0.00 O ATOM 1673 CB ASP A 115 -11.161 -9.574 9.106 1.00 0.00 C ATOM 1674 CG ASP A 115 -12.637 -9.963 9.000 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -13.477 -9.075 9.261 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -12.892 -11.139 8.662 1.00 0.00 O ATOM 0 H ASP A 115 -9.382 -7.139 7.721 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.541 -7.714 8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.592 -10.170 8.392 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -10.802 -9.839 10.100 1.00 0.00 H new ATOM 1681 N GLU A 116 -9.931 -7.174 10.879 1.00 0.00 N ATOM 1682 CA GLU A 116 -9.951 -6.480 12.156 1.00 0.00 C ATOM 1683 C GLU A 116 -8.731 -6.870 12.992 1.00 0.00 C ATOM 1684 O GLU A 116 -8.341 -6.144 13.904 1.00 0.00 O ATOM 1685 CB GLU A 116 -11.249 -6.766 12.914 1.00 0.00 C ATOM 1686 CG GLU A 116 -11.587 -8.258 12.882 1.00 0.00 C ATOM 1687 CD GLU A 116 -12.156 -8.720 14.224 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -13.243 -8.217 14.583 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -11.493 -9.567 14.861 1.00 0.00 O ATOM 0 H GLU A 116 -9.011 -7.503 10.587 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.908 -5.408 11.965 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.151 -6.434 13.948 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.066 -6.195 12.472 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.310 -8.454 12.090 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.691 -8.832 12.646 1.00 0.00 H new ATOM 1696 N GLU A 117 -8.161 -8.017 12.650 1.00 0.00 N ATOM 1697 CA GLU A 117 -6.993 -8.512 13.358 1.00 0.00 C ATOM 1698 C GLU A 117 -5.718 -7.916 12.760 1.00 0.00 C ATOM 1699 O GLU A 117 -5.681 -7.580 11.577 1.00 0.00 O ATOM 1700 CB GLU A 117 -6.946 -10.042 13.337 1.00 0.00 C ATOM 1701 CG GLU A 117 -7.160 -10.617 14.738 1.00 0.00 C ATOM 1702 CD GLU A 117 -6.191 -9.988 15.742 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -4.992 -10.332 15.665 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -6.672 -9.178 16.564 1.00 0.00 O ATOM 0 H GLU A 117 -8.487 -8.617 11.892 1.00 0.00 H new ATOM 0 HA GLU A 117 -7.064 -8.198 14.399 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.713 -10.424 12.663 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.984 -10.374 12.947 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.187 -10.437 15.056 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -7.018 -11.697 14.717 1.00 0.00 H new ATOM 1711 N TYR A 118 -4.702 -7.804 13.603 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.428 -7.255 13.172 1.00 0.00 C ATOM 1713 C TYR A 118 -2.523 -8.350 12.605 1.00 0.00 C ATOM 1714 O TYR A 118 -2.183 -9.304 13.303 1.00 0.00 O ATOM 1715 CB TYR A 118 -2.776 -6.669 14.426 1.00 0.00 C ATOM 1716 CG TYR A 118 -1.502 -5.869 14.148 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -1.576 -4.662 13.483 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.278 -6.353 14.563 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.377 -3.908 13.222 1.00 0.00 C ATOM 1720 CE2 TYR A 118 0.921 -5.600 14.302 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.812 -4.415 13.644 1.00 0.00 C ATOM 1722 OH TYR A 118 1.945 -3.703 13.397 1.00 0.00 O ATOM 0 H TYR A 118 -4.736 -8.084 14.583 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.576 -6.510 12.390 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.496 -6.023 14.930 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.540 -7.481 15.114 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.534 -4.283 13.158 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.220 -7.297 15.084 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.421 -2.962 12.703 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.885 -5.968 14.621 1.00 0.00 H new ATOM 0 HH TYR A 118 2.719 -4.185 13.756 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.157 -8.176 11.343 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.298 -9.137 10.673 1.00 0.00 C ATOM 1734 C LYS A 119 0.160 -8.691 10.806 1.00 0.00 C ATOM 1735 O LYS A 119 1.073 -9.510 10.722 1.00 0.00 O ATOM 1736 CB LYS A 119 -1.749 -9.342 9.226 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.189 -9.855 9.168 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.337 -11.165 9.946 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.159 -10.956 11.219 1.00 0.00 C ATOM 1740 NZ LYS A 119 -3.802 -11.968 12.238 1.00 0.00 N ATOM 0 H LYS A 119 -2.440 -7.383 10.767 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.377 -10.115 11.148 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.672 -8.401 8.681 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.086 -10.052 8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.863 -9.105 9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.482 -10.010 8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.818 -11.914 9.317 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.351 -11.552 10.205 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.981 -9.956 11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.222 -11.023 10.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.369 -11.812 13.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.994 -12.919 11.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.792 -11.885 12.471 1.00 0.00 H new ATOM 1754 N GLY A 120 0.331 -7.393 11.011 1.00 0.00 N ATOM 1755 CA GLY A 120 1.662 -6.828 11.156 1.00 0.00 C ATOM 1756 C GLY A 120 1.706 -5.389 10.639 1.00 0.00 C ATOM 1757 O GLY A 120 0.741 -4.642 10.790 1.00 0.00 O ATOM 0 H GLY A 120 -0.430 -6.717 11.080 1.00 0.00 H new ATOM 0 HA2 GLY A 120 1.958 -6.851 12.205 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.381 -7.437 10.608 1.00 0.00 H new ATOM 1761 N GLU A 121 2.836 -5.044 10.040 1.00 0.00 N ATOM 1762 CA GLU A 121 3.019 -3.707 9.499 1.00 0.00 C ATOM 1763 C GLU A 121 3.598 -3.781 8.085 1.00 0.00 C ATOM 1764 O GLU A 121 4.383 -4.677 7.778 1.00 0.00 O ATOM 1765 CB GLU A 121 3.909 -2.863 10.413 1.00 0.00 C ATOM 1766 CG GLU A 121 5.226 -3.582 10.712 1.00 0.00 C ATOM 1767 CD GLU A 121 5.886 -3.017 11.972 1.00 0.00 C ATOM 1768 OE1 GLU A 121 5.126 -2.612 12.878 1.00 0.00 O ATOM 1769 OE2 GLU A 121 7.136 -3.002 12.000 1.00 0.00 O ATOM 0 H GLU A 121 3.634 -5.667 9.917 1.00 0.00 H new ATOM 0 HA GLU A 121 2.045 -3.221 9.446 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.114 -1.902 9.941 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.385 -2.654 11.345 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.041 -4.648 10.841 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.903 -3.476 9.864 1.00 0.00 H new ATOM 1776 N ILE A 122 3.189 -2.827 7.262 1.00 0.00 N ATOM 1777 CA ILE A 122 3.658 -2.772 5.888 1.00 0.00 C ATOM 1778 C ILE A 122 4.405 -1.457 5.660 1.00 0.00 C ATOM 1779 O ILE A 122 3.850 -0.379 5.868 1.00 0.00 O ATOM 1780 CB ILE A 122 2.497 -2.996 4.917 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.998 -3.075 3.473 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.420 -1.924 5.092 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.828 -3.087 2.487 1.00 0.00 C ATOM 0 H ILE A 122 2.538 -2.086 7.520 1.00 0.00 H new ATOM 0 HA ILE A 122 4.366 -3.578 5.695 1.00 0.00 H new ATOM 0 HB ILE A 122 2.036 -3.956 5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.647 -2.225 3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.599 -3.975 3.341 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.607 -2.107 4.390 1.00 0.00 H new ATOM 0 HG22 ILE A 122 1.034 -1.959 6.111 1.00 0.00 H new ATOM 0 HG23 ILE A 122 1.850 -0.941 4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 122 2.211 -3.144 1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 122 1.194 -3.952 2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.244 -2.174 2.605 1.00 0.00 H new ATOM 1795 N TRP A 123 5.653 -1.588 5.236 1.00 0.00 N ATOM 1796 CA TRP A 123 6.483 -0.423 4.978 1.00 0.00 C ATOM 1797 C TRP A 123 6.184 0.064 3.558 1.00 0.00 C ATOM 1798 O TRP A 123 6.268 -0.706 2.603 1.00 0.00 O ATOM 1799 CB TRP A 123 7.962 -0.743 5.201 1.00 0.00 C ATOM 1800 CG TRP A 123 8.340 -0.946 6.670 1.00 0.00 C ATOM 1801 CD1 TRP A 123 7.976 -1.946 7.485 1.00 0.00 C ATOM 1802 CD2 TRP A 123 9.175 -0.083 7.471 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.513 -1.792 8.746 1.00 0.00 N ATOM 1804 CE2 TRP A 123 9.265 -0.623 8.738 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.832 1.114 7.135 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 10.004 -0.034 9.771 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.566 1.690 8.179 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.667 1.160 9.460 1.00 0.00 C ATOM 0 H TRP A 123 6.110 -2.484 5.064 1.00 0.00 H new ATOM 0 HA TRP A 123 6.251 0.379 5.678 1.00 0.00 H new ATOM 0 HB2 TRP A 123 8.216 -1.644 4.643 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.564 0.067 4.790 1.00 0.00 H new ATOM 0 HD1 TRP A 123 7.342 -2.769 7.191 1.00 0.00 H new ATOM 0 HE1 TRP A 123 8.382 -2.420 9.539 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.775 1.554 6.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.060 -0.476 10.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.091 2.611 7.974 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.254 1.666 10.212 1.00 0.00 H new ATOM 1819 N VAL A 124 5.843 1.341 3.465 1.00 0.00 N ATOM 1820 CA VAL A 124 5.532 1.940 2.179 1.00 0.00 C ATOM 1821 C VAL A 124 5.817 3.442 2.238 1.00 0.00 C ATOM 1822 O VAL A 124 5.527 4.094 3.240 1.00 0.00 O ATOM 1823 CB VAL A 124 4.087 1.622 1.789 1.00 0.00 C ATOM 1824 CG1 VAL A 124 3.781 2.111 0.372 1.00 0.00 C ATOM 1825 CG2 VAL A 124 3.799 0.125 1.926 1.00 0.00 C ATOM 0 H VAL A 124 5.775 1.977 4.259 1.00 0.00 H new ATOM 0 HA VAL A 124 6.166 1.519 1.399 1.00 0.00 H new ATOM 0 HB VAL A 124 3.430 2.154 2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.748 1.872 0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.927 3.190 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.450 1.620 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.765 -0.074 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.468 -0.436 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.958 -0.183 2.959 1.00 0.00 H new ATOM 1835 N ALA A 125 6.383 3.948 1.152 1.00 0.00 N ATOM 1836 CA ALA A 125 6.711 5.361 1.068 1.00 0.00 C ATOM 1837 C ALA A 125 5.741 6.049 0.107 1.00 0.00 C ATOM 1838 O ALA A 125 5.317 5.456 -0.884 1.00 0.00 O ATOM 1839 CB ALA A 125 8.171 5.521 0.637 1.00 0.00 C ATOM 0 H ALA A 125 6.623 3.405 0.323 1.00 0.00 H new ATOM 0 HA ALA A 125 6.604 5.839 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.418 6.581 0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.821 5.040 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.316 5.056 -0.338 1.00 0.00 H new ATOM 1845 N LEU A 126 5.416 7.292 0.433 1.00 0.00 N ATOM 1846 CA LEU A 126 4.503 8.067 -0.389 1.00 0.00 C ATOM 1847 C LEU A 126 5.218 9.323 -0.893 1.00 0.00 C ATOM 1848 O LEU A 126 5.988 9.940 -0.159 1.00 0.00 O ATOM 1849 CB LEU A 126 3.211 8.361 0.376 1.00 0.00 C ATOM 1850 CG LEU A 126 2.493 7.148 0.971 1.00 0.00 C ATOM 1851 CD1 LEU A 126 1.631 7.554 2.168 1.00 0.00 C ATOM 1852 CD2 LEU A 126 1.681 6.414 -0.098 1.00 0.00 C ATOM 0 H LEU A 126 5.769 7.781 1.255 1.00 0.00 H new ATOM 0 HA LEU A 126 4.203 7.496 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.441 9.055 1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.522 8.872 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 126 3.246 6.451 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.132 6.673 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.263 7.998 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.884 8.280 1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.180 5.556 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.936 7.090 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.347 6.072 -0.890 1.00 0.00 H new ATOM 1864 N SER A 127 4.939 9.663 -2.143 1.00 0.00 N ATOM 1865 CA SER A 127 5.545 10.833 -2.754 1.00 0.00 C ATOM 1866 C SER A 127 4.588 11.444 -3.779 1.00 0.00 C ATOM 1867 O SER A 127 4.634 11.099 -4.959 1.00 0.00 O ATOM 1868 CB SER A 127 6.878 10.480 -3.417 1.00 0.00 C ATOM 1869 OG SER A 127 7.750 9.786 -2.527 1.00 0.00 O ATOM 0 H SER A 127 4.301 9.148 -2.749 1.00 0.00 H new ATOM 0 HA SER A 127 5.742 11.564 -1.970 1.00 0.00 H new ATOM 0 HB2 SER A 127 6.693 9.864 -4.297 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.364 11.392 -3.763 1.00 0.00 H new ATOM 0 HG SER A 127 8.589 9.577 -2.988 1.00 0.00 H new ATOM 1875 N PHE A 128 3.744 12.341 -3.292 1.00 0.00 N ATOM 1876 CA PHE A 128 2.777 13.003 -4.152 1.00 0.00 C ATOM 1877 C PHE A 128 3.460 14.033 -5.053 1.00 0.00 C ATOM 1878 O PHE A 128 4.414 14.690 -4.639 1.00 0.00 O ATOM 1879 CB PHE A 128 1.784 13.722 -3.237 1.00 0.00 C ATOM 1880 CG PHE A 128 0.594 14.341 -3.974 1.00 0.00 C ATOM 1881 CD1 PHE A 128 -0.243 13.550 -4.698 1.00 0.00 C ATOM 1882 CD2 PHE A 128 0.374 15.681 -3.906 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -1.347 14.125 -5.382 1.00 0.00 C ATOM 1884 CE2 PHE A 128 -0.729 16.255 -4.590 1.00 0.00 C ATOM 1885 CZ PHE A 128 -1.567 15.465 -5.314 1.00 0.00 C ATOM 0 H PHE A 128 3.709 12.625 -2.313 1.00 0.00 H new ATOM 0 HA PHE A 128 2.284 12.271 -4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.411 13.015 -2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.310 14.507 -2.693 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -0.068 12.486 -4.753 1.00 0.00 H new ATOM 0 HD2 PHE A 128 1.039 16.309 -3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -2.012 13.497 -5.957 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.903 17.319 -4.536 1.00 0.00 H new ATOM 0 HZ PHE A 128 -2.406 15.902 -5.834 1.00 0.00 H new ATOM 1895 N LYS A 129 2.945 14.143 -6.269 1.00 0.00 N ATOM 1896 CA LYS A 129 3.493 15.083 -7.232 1.00 0.00 C ATOM 1897 C LYS A 129 2.366 15.959 -7.782 1.00 0.00 C ATOM 1898 O LYS A 129 1.732 15.609 -8.776 1.00 0.00 O ATOM 1899 CB LYS A 129 4.280 14.342 -8.314 1.00 0.00 C ATOM 1900 CG LYS A 129 5.617 13.835 -7.770 1.00 0.00 C ATOM 1901 CD LYS A 129 6.139 12.662 -8.603 1.00 0.00 C ATOM 1902 CE LYS A 129 7.666 12.691 -8.694 1.00 0.00 C ATOM 1903 NZ LYS A 129 8.112 12.289 -10.047 1.00 0.00 N ATOM 0 H LYS A 129 2.154 13.596 -6.609 1.00 0.00 H new ATOM 0 HA LYS A 129 4.208 15.750 -6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 129 3.692 13.502 -8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 129 4.456 15.006 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.347 14.644 -7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.497 13.524 -6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.816 11.722 -8.156 1.00 0.00 H new ATOM 0 HD3 LYS A 129 5.711 12.703 -9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.031 13.693 -8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.093 12.020 -7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 9.151 12.314 -10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 7.780 11.325 -10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.719 12.946 -10.751 1.00 0.00 H new ATOM 1917 N PRO A 130 2.144 17.110 -7.093 1.00 0.00 N ATOM 1918 CA PRO A 130 1.104 18.039 -7.502 1.00 0.00 C ATOM 1919 C PRO A 130 1.528 18.824 -8.746 1.00 0.00 C ATOM 1920 O PRO A 130 2.708 19.123 -8.923 1.00 0.00 O ATOM 1921 CB PRO A 130 0.871 18.927 -6.291 1.00 0.00 C ATOM 1922 CG PRO A 130 2.102 18.768 -5.414 1.00 0.00 C ATOM 1923 CD PRO A 130 2.875 17.557 -5.911 1.00 0.00 C ATOM 0 HA PRO A 130 0.182 17.536 -7.794 1.00 0.00 H new ATOM 0 HB2 PRO A 130 0.736 19.967 -6.589 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -0.031 18.629 -5.756 1.00 0.00 H new ATOM 0 HG2 PRO A 130 2.723 19.663 -5.461 1.00 0.00 H new ATOM 0 HG3 PRO A 130 1.813 18.635 -4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 130 3.904 17.818 -6.157 1.00 0.00 H new ATOM 0 HD3 PRO A 130 2.917 16.775 -5.152 1.00 0.00 H new ATOM 1931 N SER A 131 0.543 19.135 -9.574 1.00 0.00 N ATOM 1932 CA SER A 131 0.799 19.879 -10.796 1.00 0.00 C ATOM 1933 C SER A 131 0.471 21.358 -10.586 1.00 0.00 C ATOM 1934 O SER A 131 -0.402 21.906 -11.257 1.00 0.00 O ATOM 1935 CB SER A 131 -0.014 19.316 -11.964 1.00 0.00 C ATOM 1936 OG SER A 131 0.193 17.916 -12.133 1.00 0.00 O ATOM 0 H SER A 131 -0.435 18.886 -9.423 1.00 0.00 H new ATOM 0 HA SER A 131 1.856 19.779 -11.042 1.00 0.00 H new ATOM 0 HB2 SER A 131 -1.073 19.508 -11.794 1.00 0.00 H new ATOM 0 HB3 SER A 131 0.261 19.836 -12.881 1.00 0.00 H new ATOM 0 HG SER A 131 -0.344 17.595 -12.887 1.00 0.00 H new ATOM 1942 N GLY A 132 1.190 21.964 -9.651 1.00 0.00 N ATOM 1943 CA GLY A 132 0.986 23.369 -9.344 1.00 0.00 C ATOM 1944 C GLY A 132 1.599 24.261 -10.427 1.00 0.00 C ATOM 1945 O GLY A 132 1.643 23.883 -11.596 1.00 0.00 O ATOM 0 H GLY A 132 1.914 21.507 -9.097 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -0.081 23.575 -9.259 1.00 0.00 H new ATOM 0 HA3 GLY A 132 1.434 23.603 -8.378 1.00 0.00 H new ATOM 1949 N PRO A 133 2.068 25.459 -9.986 1.00 0.00 N ATOM 1950 CA PRO A 133 2.676 26.407 -10.904 1.00 0.00 C ATOM 1951 C PRO A 133 4.085 25.961 -11.300 1.00 0.00 C ATOM 1952 O PRO A 133 5.073 26.511 -10.816 1.00 0.00 O ATOM 1953 CB PRO A 133 2.659 27.736 -10.165 1.00 0.00 C ATOM 1954 CG PRO A 133 2.472 27.393 -8.696 1.00 0.00 C ATOM 1955 CD PRO A 133 2.033 25.940 -8.608 1.00 0.00 C ATOM 0 HA PRO A 133 2.136 26.484 -11.848 1.00 0.00 H new ATOM 0 HB2 PRO A 133 3.589 28.283 -10.323 1.00 0.00 H new ATOM 0 HB3 PRO A 133 1.850 28.372 -10.524 1.00 0.00 H new ATOM 0 HG2 PRO A 133 3.402 27.545 -8.147 1.00 0.00 H new ATOM 0 HG3 PRO A 133 1.725 28.045 -8.244 1.00 0.00 H new ATOM 0 HD2 PRO A 133 2.701 25.362 -7.970 1.00 0.00 H new ATOM 0 HD3 PRO A 133 1.033 25.853 -8.183 1.00 0.00 H new ATOM 1963 N SER A 134 4.133 24.969 -12.176 1.00 0.00 N ATOM 1964 CA SER A 134 5.404 24.442 -12.642 1.00 0.00 C ATOM 1965 C SER A 134 6.240 23.963 -11.453 1.00 0.00 C ATOM 1966 O SER A 134 6.785 24.774 -10.706 1.00 0.00 O ATOM 1967 CB SER A 134 6.175 25.494 -13.443 1.00 0.00 C ATOM 1968 OG SER A 134 5.831 25.470 -14.826 1.00 0.00 O ATOM 0 H SER A 134 3.311 24.516 -12.576 1.00 0.00 H new ATOM 0 HA SER A 134 5.203 23.597 -13.301 1.00 0.00 H new ATOM 0 HB2 SER A 134 5.968 26.483 -13.035 1.00 0.00 H new ATOM 0 HB3 SER A 134 7.246 25.321 -13.333 1.00 0.00 H new ATOM 0 HG SER A 134 6.343 26.157 -15.302 1.00 0.00 H new ATOM 1974 N SER A 135 6.315 22.647 -11.316 1.00 0.00 N ATOM 1975 CA SER A 135 7.074 22.050 -10.231 1.00 0.00 C ATOM 1976 C SER A 135 7.983 20.945 -10.774 1.00 0.00 C ATOM 1977 O SER A 135 7.503 19.963 -11.336 1.00 0.00 O ATOM 1978 CB SER A 135 6.146 21.491 -9.151 1.00 0.00 C ATOM 1979 OG SER A 135 6.501 21.953 -7.850 1.00 0.00 O ATOM 0 H SER A 135 5.862 21.978 -11.939 1.00 0.00 H new ATOM 0 HA SER A 135 7.689 22.827 -9.776 1.00 0.00 H new ATOM 0 HB2 SER A 135 5.118 21.781 -9.371 1.00 0.00 H new ATOM 0 HB3 SER A 135 6.181 20.402 -9.171 1.00 0.00 H new ATOM 0 HG SER A 135 5.884 21.575 -7.189 1.00 0.00 H new ATOM 1985 N GLY A 136 9.279 21.144 -10.586 1.00 0.00 N ATOM 1986 CA GLY A 136 10.259 20.177 -11.050 1.00 0.00 C ATOM 1987 C GLY A 136 10.353 18.988 -10.092 1.00 0.00 C ATOM 1988 O GLY A 136 9.422 18.723 -9.333 1.00 0.00 O ATOM 0 H GLY A 136 9.673 21.960 -10.119 1.00 0.00 H new ATOM 0 HA2 GLY A 136 9.986 19.826 -12.045 1.00 0.00 H new ATOM 0 HA3 GLY A 136 11.234 20.656 -11.138 1.00 0.00 H new TER 1992 GLY A 136