USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 GLN :FLIP amide:sc= -1.97! F(o=-0.96,f=-0.3!) USER MOD Set 1.2: A 32 LYS NZ :NH3+ -178:sc= 1.67 (180deg=1.11) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.127 (180deg=0) USER MOD Single : A 2 SER OG : rot -3:sc= 0.287 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 31:sc= 0.78 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 19 THR OG1 : rot 158:sc= 1.27 USER MOD Single : A 25 GLN : amide:sc= 0.783 K(o=0.78,f=-0.72) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.23 (180deg=1.11) USER MOD Single : A 33 HIS : no HE2:sc= -1.63 K(o=-1.6,f=-4.1!) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.445 X(o=-0.44,f=-0.56) USER MOD Single : A 42 HIS :FLIP no HE2:sc= 0.153 F(o=-0.63,f=0.15) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 49 GLN : amide:sc= -0.279 K(o=-0.28,f=-0.97) USER MOD Single : A 51 SER OG : rot 180:sc= -0.248 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -141:sc= 0.445 (180deg=0.017) USER MOD Single : A 75 LYS NZ :NH3+ -146:sc= 1.24 (180deg=0.0396) USER MOD Single : A 76 MET CE :methyl -159:sc= -1.86 (180deg=-3.52!) USER MOD Single : A 77 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00694) USER MOD Single : A 78 GLN : amide:sc= -0.0978 K(o=-0.098,f=-1!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0.673 K(o=0.67,f=-0.16) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.626 X(o=-0.63,f=-1) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.905 18.602 25.715 1.00 0.00 N ATOM 2 CA GLY A 1 24.303 18.857 24.403 1.00 0.00 C ATOM 3 C GLY A 1 25.185 18.275 23.314 1.00 0.00 C ATOM 4 O GLY A 1 26.345 17.939 23.560 1.00 0.00 O ATOM 0 H1 GLY A 1 24.289 17.967 26.262 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.837 18.157 25.589 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.017 19.501 26.226 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.309 18.412 24.356 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.180 19.929 24.251 1.00 0.00 H new ATOM 8 N SER A 2 24.667 18.140 22.097 1.00 0.00 N ATOM 9 CA SER A 2 25.429 17.813 20.899 1.00 0.00 C ATOM 10 C SER A 2 24.724 18.457 19.704 1.00 0.00 C ATOM 11 O SER A 2 23.574 18.885 19.823 1.00 0.00 O ATOM 12 CB SER A 2 25.519 16.289 20.733 1.00 0.00 C ATOM 13 OG SER A 2 26.115 15.689 21.872 1.00 0.00 O ATOM 0 H SER A 2 23.671 18.260 21.913 1.00 0.00 H new ATOM 0 HA SER A 2 26.447 18.195 20.973 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.522 15.877 20.580 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.103 16.050 19.844 1.00 0.00 H new ATOM 0 HG SER A 2 26.392 16.387 22.502 1.00 0.00 H new ATOM 19 N SER A 3 25.404 18.527 18.562 1.00 0.00 N ATOM 20 CA SER A 3 24.833 18.957 17.300 1.00 0.00 C ATOM 21 C SER A 3 25.694 18.369 16.172 1.00 0.00 C ATOM 22 O SER A 3 26.631 17.612 16.439 1.00 0.00 O ATOM 23 CB SER A 3 24.740 20.490 17.258 1.00 0.00 C ATOM 24 OG SER A 3 23.629 20.873 16.470 1.00 0.00 O ATOM 0 H SER A 3 26.391 18.279 18.493 1.00 0.00 H new ATOM 0 HA SER A 3 23.813 18.593 17.176 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.637 20.887 18.268 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.656 20.909 16.842 1.00 0.00 H new ATOM 0 HG SER A 3 23.568 21.851 16.444 1.00 0.00 H new ATOM 30 N GLY A 4 25.363 18.694 14.927 1.00 0.00 N ATOM 31 CA GLY A 4 25.850 18.067 13.713 1.00 0.00 C ATOM 32 C GLY A 4 24.852 18.386 12.602 1.00 0.00 C ATOM 33 O GLY A 4 23.930 19.181 12.811 1.00 0.00 O ATOM 0 H GLY A 4 24.706 19.450 14.731 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.841 18.442 13.458 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.942 16.989 13.848 1.00 0.00 H new ATOM 37 N SER A 5 25.029 17.787 11.429 1.00 0.00 N ATOM 38 CA SER A 5 24.120 17.955 10.306 1.00 0.00 C ATOM 39 C SER A 5 24.074 16.668 9.485 1.00 0.00 C ATOM 40 O SER A 5 25.066 15.931 9.425 1.00 0.00 O ATOM 41 CB SER A 5 24.595 19.149 9.468 1.00 0.00 C ATOM 42 OG SER A 5 25.980 19.052 9.176 1.00 0.00 O ATOM 0 H SER A 5 25.814 17.167 11.232 1.00 0.00 H new ATOM 0 HA SER A 5 23.107 18.156 10.655 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.027 19.193 8.539 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.398 20.076 10.007 1.00 0.00 H new ATOM 0 HG SER A 5 26.256 19.824 8.640 1.00 0.00 H new ATOM 48 N SER A 6 22.932 16.405 8.850 1.00 0.00 N ATOM 49 CA SER A 6 22.719 15.403 7.824 1.00 0.00 C ATOM 50 C SER A 6 21.468 15.742 7.013 1.00 0.00 C ATOM 51 O SER A 6 20.528 16.372 7.505 1.00 0.00 O ATOM 52 CB SER A 6 22.545 14.026 8.467 1.00 0.00 C ATOM 53 OG SER A 6 23.774 13.456 8.868 1.00 0.00 O ATOM 0 H SER A 6 22.079 16.925 9.058 1.00 0.00 H new ATOM 0 HA SER A 6 23.586 15.389 7.164 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.889 14.114 9.333 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.052 13.358 7.760 1.00 0.00 H new ATOM 0 HG SER A 6 24.400 14.168 9.115 1.00 0.00 H new ATOM 59 N GLY A 7 21.427 15.258 5.777 1.00 0.00 N ATOM 60 CA GLY A 7 20.341 15.504 4.845 1.00 0.00 C ATOM 61 C GLY A 7 20.882 15.251 3.458 1.00 0.00 C ATOM 62 O GLY A 7 21.271 16.193 2.771 1.00 0.00 O ATOM 0 H GLY A 7 22.166 14.671 5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.497 14.847 5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.979 16.528 4.937 1.00 0.00 H new ATOM 66 N ALA A 8 21.018 13.975 3.111 1.00 0.00 N ATOM 67 CA ALA A 8 21.625 13.509 1.883 1.00 0.00 C ATOM 68 C ALA A 8 21.085 12.105 1.659 1.00 0.00 C ATOM 69 O ALA A 8 21.431 11.203 2.423 1.00 0.00 O ATOM 70 CB ALA A 8 23.146 13.496 2.044 1.00 0.00 C ATOM 0 H ALA A 8 20.693 13.212 3.706 1.00 0.00 H new ATOM 0 HA ALA A 8 21.393 14.151 1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 8 23.607 13.145 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 8 23.497 14.504 2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.420 12.829 2.862 1.00 0.00 H new ATOM 76 N GLY A 9 20.208 11.909 0.678 1.00 0.00 N ATOM 77 CA GLY A 9 19.550 10.624 0.486 1.00 0.00 C ATOM 78 C GLY A 9 18.924 10.533 -0.900 1.00 0.00 C ATOM 79 O GLY A 9 17.726 10.813 -1.022 1.00 0.00 O ATOM 0 H GLY A 9 19.938 12.626 0.004 1.00 0.00 H new ATOM 0 HA2 GLY A 9 20.273 9.818 0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 9 18.781 10.488 1.246 1.00 0.00 H new ATOM 83 N PRO A 10 19.694 10.190 -1.948 1.00 0.00 N ATOM 84 CA PRO A 10 19.153 9.917 -3.279 1.00 0.00 C ATOM 85 C PRO A 10 18.291 8.647 -3.243 1.00 0.00 C ATOM 86 O PRO A 10 18.377 7.869 -2.293 1.00 0.00 O ATOM 87 CB PRO A 10 20.384 9.753 -4.177 1.00 0.00 C ATOM 88 CG PRO A 10 21.432 9.181 -3.223 1.00 0.00 C ATOM 89 CD PRO A 10 21.121 9.892 -1.909 1.00 0.00 C ATOM 0 HA PRO A 10 18.503 10.711 -3.648 1.00 0.00 H new ATOM 0 HB2 PRO A 10 20.188 9.080 -5.012 1.00 0.00 H new ATOM 0 HB3 PRO A 10 20.702 10.704 -4.603 1.00 0.00 H new ATOM 0 HG2 PRO A 10 21.344 8.099 -3.128 1.00 0.00 H new ATOM 0 HG3 PRO A 10 22.446 9.389 -3.565 1.00 0.00 H new ATOM 0 HD2 PRO A 10 21.366 9.260 -1.055 1.00 0.00 H new ATOM 0 HD3 PRO A 10 21.709 10.805 -1.809 1.00 0.00 H new ATOM 97 N GLY A 11 17.493 8.400 -4.282 1.00 0.00 N ATOM 98 CA GLY A 11 16.628 7.228 -4.349 1.00 0.00 C ATOM 99 C GLY A 11 15.786 7.313 -5.610 1.00 0.00 C ATOM 100 O GLY A 11 14.830 8.098 -5.667 1.00 0.00 O ATOM 0 H GLY A 11 17.430 9.008 -5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 11 17.226 6.317 -4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.986 7.182 -3.469 1.00 0.00 H new ATOM 104 N ALA A 12 16.181 6.586 -6.650 1.00 0.00 N ATOM 105 CA ALA A 12 15.450 6.434 -7.898 1.00 0.00 C ATOM 106 C ALA A 12 15.482 4.955 -8.284 1.00 0.00 C ATOM 107 O ALA A 12 15.886 4.119 -7.478 1.00 0.00 O ATOM 108 CB ALA A 12 16.049 7.356 -8.972 1.00 0.00 C ATOM 0 H ALA A 12 17.058 6.065 -6.643 1.00 0.00 H new ATOM 0 HA ALA A 12 14.408 6.734 -7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.496 7.236 -9.904 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.982 8.392 -8.641 1.00 0.00 H new ATOM 0 HB3 ALA A 12 17.095 7.094 -9.134 1.00 0.00 H new ATOM 114 N GLU A 13 15.060 4.628 -9.508 1.00 0.00 N ATOM 115 CA GLU A 13 14.995 3.255 -9.998 1.00 0.00 C ATOM 116 C GLU A 13 14.081 2.391 -9.113 1.00 0.00 C ATOM 117 O GLU A 13 13.221 2.928 -8.394 1.00 0.00 O ATOM 118 CB GLU A 13 16.431 2.714 -10.210 1.00 0.00 C ATOM 119 CG GLU A 13 16.760 2.569 -11.696 1.00 0.00 C ATOM 120 CD GLU A 13 16.860 3.903 -12.411 1.00 0.00 C ATOM 121 OE1 GLU A 13 15.822 4.539 -12.705 1.00 0.00 O ATOM 122 OE2 GLU A 13 17.992 4.297 -12.752 1.00 0.00 O ATOM 0 H GLU A 13 14.751 5.319 -10.192 1.00 0.00 H new ATOM 0 HA GLU A 13 14.518 3.217 -10.977 1.00 0.00 H new ATOM 0 HB2 GLU A 13 17.148 3.388 -9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.533 1.747 -9.717 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.703 2.033 -11.804 1.00 0.00 H new ATOM 0 HG3 GLU A 13 15.992 1.962 -12.176 1.00 0.00 H new ATOM 129 N GLU A 14 14.173 1.067 -9.247 1.00 0.00 N ATOM 130 CA GLU A 14 13.554 0.124 -8.340 1.00 0.00 C ATOM 131 C GLU A 14 14.627 -0.379 -7.381 1.00 0.00 C ATOM 132 O GLU A 14 15.484 -1.205 -7.721 1.00 0.00 O ATOM 133 CB GLU A 14 12.813 -0.978 -9.082 1.00 0.00 C ATOM 134 CG GLU A 14 12.149 -1.875 -8.032 1.00 0.00 C ATOM 135 CD GLU A 14 11.082 -2.749 -8.673 1.00 0.00 C ATOM 136 OE1 GLU A 14 10.064 -2.182 -9.120 1.00 0.00 O ATOM 137 OE2 GLU A 14 11.297 -3.987 -8.743 1.00 0.00 O ATOM 0 H GLU A 14 14.691 0.621 -10.005 1.00 0.00 H new ATOM 0 HA GLU A 14 12.775 0.611 -7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.065 -0.553 -9.752 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.502 -1.555 -9.699 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.901 -2.502 -7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.702 -1.260 -7.251 1.00 0.00 H new ATOM 144 N GLU A 15 14.564 0.199 -6.193 1.00 0.00 N ATOM 145 CA GLU A 15 15.588 0.238 -5.178 1.00 0.00 C ATOM 146 C GLU A 15 15.242 -0.716 -4.043 1.00 0.00 C ATOM 147 O GLU A 15 14.730 -1.807 -4.298 1.00 0.00 O ATOM 148 CB GLU A 15 15.820 1.709 -4.819 1.00 0.00 C ATOM 149 CG GLU A 15 14.604 2.431 -4.213 1.00 0.00 C ATOM 150 CD GLU A 15 14.946 3.867 -3.830 1.00 0.00 C ATOM 151 OE1 GLU A 15 15.832 4.048 -2.969 1.00 0.00 O ATOM 152 OE2 GLU A 15 14.261 4.794 -4.328 1.00 0.00 O ATOM 0 H GLU A 15 13.722 0.692 -5.895 1.00 0.00 H new ATOM 0 HA GLU A 15 16.553 -0.139 -5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.648 1.769 -4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.129 2.242 -5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.783 2.429 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.259 1.890 -3.332 1.00 0.00 H new ATOM 159 N GLN A 16 15.587 -0.356 -2.812 1.00 0.00 N ATOM 160 CA GLN A 16 15.138 -1.015 -1.596 1.00 0.00 C ATOM 161 C GLN A 16 14.156 -0.099 -0.887 1.00 0.00 C ATOM 162 O GLN A 16 14.478 1.057 -0.614 1.00 0.00 O ATOM 163 CB GLN A 16 16.327 -1.368 -0.699 1.00 0.00 C ATOM 164 CG GLN A 16 17.260 -2.343 -1.421 1.00 0.00 C ATOM 165 CD GLN A 16 18.534 -2.620 -0.646 1.00 0.00 C ATOM 166 OE1 GLN A 16 18.599 -2.507 0.578 1.00 0.00 O ATOM 167 NE2 GLN A 16 19.571 -3.028 -1.341 1.00 0.00 N ATOM 0 H GLN A 16 16.209 0.431 -2.629 1.00 0.00 H new ATOM 0 HA GLN A 16 14.640 -1.953 -1.842 1.00 0.00 H new ATOM 0 HB2 GLN A 16 16.872 -0.463 -0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 16 15.972 -1.813 0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.734 -3.282 -1.594 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.516 -1.937 -2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 16 19.502 -3.117 -2.355 1.00 0.00 H new ATOM 0 HE22 GLN A 16 20.445 -3.256 -0.867 1.00 0.00 H new ATOM 176 N LEU A 17 12.956 -0.615 -0.625 1.00 0.00 N ATOM 177 CA LEU A 17 11.881 0.132 0.009 1.00 0.00 C ATOM 178 C LEU A 17 11.685 -0.422 1.415 1.00 0.00 C ATOM 179 O LEU A 17 11.792 -1.641 1.601 1.00 0.00 O ATOM 180 CB LEU A 17 10.567 0.003 -0.779 1.00 0.00 C ATOM 181 CG LEU A 17 10.615 -0.086 -2.319 1.00 0.00 C ATOM 182 CD1 LEU A 17 9.191 -0.255 -2.871 1.00 0.00 C ATOM 183 CD2 LEU A 17 11.245 1.131 -3.003 1.00 0.00 C ATOM 0 H LEU A 17 12.704 -1.577 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 17 12.149 1.188 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.053 -0.887 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.944 0.859 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 17 11.248 -0.945 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.227 -0.318 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.751 -1.168 -2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.583 0.600 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.238 0.985 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.673 2.025 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.273 1.250 -2.659 1.00 0.00 H new ATOM 195 N ASP A 18 11.361 0.409 2.406 1.00 0.00 N ATOM 196 CA ASP A 18 11.063 -0.096 3.749 1.00 0.00 C ATOM 197 C ASP A 18 9.660 -0.685 3.745 1.00 0.00 C ATOM 198 O ASP A 18 8.659 0.017 3.854 1.00 0.00 O ATOM 199 CB ASP A 18 11.235 0.934 4.876 1.00 0.00 C ATOM 200 CG ASP A 18 12.652 0.873 5.438 1.00 0.00 C ATOM 201 OD1 ASP A 18 13.599 1.313 4.759 1.00 0.00 O ATOM 202 OD2 ASP A 18 12.815 0.308 6.553 1.00 0.00 O ATOM 0 H ASP A 18 11.298 1.422 2.308 1.00 0.00 H new ATOM 0 HA ASP A 18 11.804 -0.863 3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.030 1.935 4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.513 0.739 5.669 1.00 0.00 H new ATOM 207 N THR A 19 9.553 -2.001 3.615 1.00 0.00 N ATOM 208 CA THR A 19 8.264 -2.674 3.572 1.00 0.00 C ATOM 209 C THR A 19 7.431 -2.408 4.824 1.00 0.00 C ATOM 210 O THR A 19 6.229 -2.182 4.713 1.00 0.00 O ATOM 211 CB THR A 19 8.490 -4.186 3.447 1.00 0.00 C ATOM 212 OG1 THR A 19 9.475 -4.631 4.365 1.00 0.00 O ATOM 213 CG2 THR A 19 8.964 -4.606 2.057 1.00 0.00 C ATOM 0 H THR A 19 10.354 -2.628 3.537 1.00 0.00 H new ATOM 0 HA THR A 19 7.718 -2.284 2.713 1.00 0.00 H new ATOM 0 HB THR A 19 7.519 -4.636 3.652 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.359 -5.590 4.530 1.00 0.00 H new ATOM 0 HG21 THR A 19 9.106 -5.686 2.032 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.217 -4.321 1.316 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.908 -4.111 1.829 1.00 0.00 H new ATOM 221 N ALA A 20 8.047 -2.460 6.011 1.00 0.00 N ATOM 222 CA ALA A 20 7.336 -2.249 7.262 1.00 0.00 C ATOM 223 C ALA A 20 6.849 -0.810 7.377 1.00 0.00 C ATOM 224 O ALA A 20 5.839 -0.578 8.036 1.00 0.00 O ATOM 225 CB ALA A 20 8.234 -2.607 8.443 1.00 0.00 C ATOM 0 H ALA A 20 9.043 -2.648 6.124 1.00 0.00 H new ATOM 0 HA ALA A 20 6.462 -2.900 7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.692 -2.445 9.375 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.529 -3.654 8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.124 -1.978 8.427 1.00 0.00 H new ATOM 231 N GLU A 21 7.528 0.127 6.708 1.00 0.00 N ATOM 232 CA GLU A 21 7.075 1.494 6.585 1.00 0.00 C ATOM 233 C GLU A 21 5.869 1.486 5.657 1.00 0.00 C ATOM 234 O GLU A 21 4.807 1.894 6.084 1.00 0.00 O ATOM 235 CB GLU A 21 8.214 2.404 6.095 1.00 0.00 C ATOM 236 CG GLU A 21 7.668 3.665 5.430 1.00 0.00 C ATOM 237 CD GLU A 21 8.661 4.764 5.110 1.00 0.00 C ATOM 238 OE1 GLU A 21 9.887 4.565 5.256 1.00 0.00 O ATOM 239 OE2 GLU A 21 8.176 5.811 4.628 1.00 0.00 O ATOM 0 H GLU A 21 8.414 -0.055 6.237 1.00 0.00 H new ATOM 0 HA GLU A 21 6.776 1.905 7.549 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.850 2.680 6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.840 1.859 5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.177 3.372 4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.899 4.083 6.079 1.00 0.00 H new ATOM 246 N ILE A 22 5.990 0.999 4.423 1.00 0.00 N ATOM 247 CA ILE A 22 4.922 1.069 3.427 1.00 0.00 C ATOM 248 C ILE A 22 3.641 0.441 3.989 1.00 0.00 C ATOM 249 O ILE A 22 2.548 0.983 3.849 1.00 0.00 O ATOM 250 CB ILE A 22 5.407 0.375 2.144 1.00 0.00 C ATOM 251 CG1 ILE A 22 6.564 1.158 1.487 1.00 0.00 C ATOM 252 CG2 ILE A 22 4.275 0.310 1.129 1.00 0.00 C ATOM 253 CD1 ILE A 22 7.398 0.321 0.524 1.00 0.00 C ATOM 0 H ILE A 22 6.837 0.542 4.084 1.00 0.00 H new ATOM 0 HA ILE A 22 4.682 2.104 3.184 1.00 0.00 H new ATOM 0 HB ILE A 22 5.745 -0.623 2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.154 2.013 0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.214 1.553 2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.627 -0.183 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.442 -0.254 1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.944 1.320 0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.192 0.936 0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.838 -0.520 1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.762 -0.053 -0.278 1.00 0.00 H new ATOM 265 N ALA A 23 3.777 -0.718 4.630 1.00 0.00 N ATOM 266 CA ALA A 23 2.683 -1.397 5.288 1.00 0.00 C ATOM 267 C ALA A 23 2.068 -0.515 6.375 1.00 0.00 C ATOM 268 O ALA A 23 0.846 -0.354 6.373 1.00 0.00 O ATOM 269 CB ALA A 23 3.219 -2.706 5.863 1.00 0.00 C ATOM 0 H ALA A 23 4.666 -1.212 4.703 1.00 0.00 H new ATOM 0 HA ALA A 23 1.887 -1.610 4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.413 -3.240 6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.614 -3.323 5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.013 -2.491 6.578 1.00 0.00 H new ATOM 275 N PHE A 24 2.889 0.024 7.285 1.00 0.00 N ATOM 276 CA PHE A 24 2.490 0.960 8.331 1.00 0.00 C ATOM 277 C PHE A 24 1.750 2.121 7.685 1.00 0.00 C ATOM 278 O PHE A 24 0.537 2.206 7.796 1.00 0.00 O ATOM 279 CB PHE A 24 3.706 1.387 9.171 1.00 0.00 C ATOM 280 CG PHE A 24 3.391 2.388 10.261 1.00 0.00 C ATOM 281 CD1 PHE A 24 2.658 1.982 11.392 1.00 0.00 C ATOM 282 CD2 PHE A 24 3.830 3.722 10.148 1.00 0.00 C ATOM 283 CE1 PHE A 24 2.349 2.909 12.400 1.00 0.00 C ATOM 284 CE2 PHE A 24 3.537 4.642 11.169 1.00 0.00 C ATOM 285 CZ PHE A 24 2.794 4.237 12.292 1.00 0.00 C ATOM 0 H PHE A 24 3.886 -0.191 7.310 1.00 0.00 H new ATOM 0 HA PHE A 24 1.807 0.487 9.036 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.148 0.500 9.625 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.458 1.814 8.508 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.333 0.956 11.484 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.390 4.036 9.280 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.770 2.601 13.258 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.883 5.662 11.091 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.565 4.948 13.072 1.00 0.00 H new ATOM 295 N GLN A 25 2.455 2.946 6.920 1.00 0.00 N ATOM 296 CA GLN A 25 2.002 4.152 6.256 1.00 0.00 C ATOM 297 C GLN A 25 0.620 3.986 5.622 1.00 0.00 C ATOM 298 O GLN A 25 -0.220 4.872 5.780 1.00 0.00 O ATOM 299 CB GLN A 25 3.012 4.555 5.192 1.00 0.00 C ATOM 300 CG GLN A 25 4.389 4.920 5.756 1.00 0.00 C ATOM 301 CD GLN A 25 4.589 6.395 6.069 1.00 0.00 C ATOM 302 OE1 GLN A 25 3.689 7.031 6.614 1.00 0.00 O ATOM 303 NE2 GLN A 25 5.760 6.946 5.765 1.00 0.00 N ATOM 0 H GLN A 25 3.442 2.769 6.736 1.00 0.00 H new ATOM 0 HA GLN A 25 1.918 4.932 7.013 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.126 3.735 4.483 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.620 5.406 4.635 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.555 4.346 6.667 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.151 4.610 5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.484 6.388 5.313 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.934 7.927 5.984 1.00 0.00 H new ATOM 312 N VAL A 26 0.395 2.876 4.905 1.00 0.00 N ATOM 313 CA VAL A 26 -0.890 2.564 4.296 1.00 0.00 C ATOM 314 C VAL A 26 -1.946 2.273 5.365 1.00 0.00 C ATOM 315 O VAL A 26 -3.029 2.849 5.281 1.00 0.00 O ATOM 316 CB VAL A 26 -0.734 1.412 3.286 1.00 0.00 C ATOM 317 CG1 VAL A 26 -2.074 0.879 2.771 1.00 0.00 C ATOM 318 CG2 VAL A 26 0.043 1.888 2.053 1.00 0.00 C ATOM 0 H VAL A 26 1.110 2.169 4.735 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.243 3.434 3.742 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.212 0.622 3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.896 0.069 2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.663 0.506 3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.618 1.682 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.146 1.064 1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.496 2.708 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.032 2.232 2.356 1.00 0.00 H new ATOM 328 N LYS A 27 -1.691 1.399 6.353 1.00 0.00 N ATOM 329 CA LYS A 27 -2.621 1.183 7.462 1.00 0.00 C ATOM 330 C LYS A 27 -3.062 2.530 8.041 1.00 0.00 C ATOM 331 O LYS A 27 -4.275 2.722 8.168 1.00 0.00 O ATOM 332 CB LYS A 27 -1.986 0.264 8.524 1.00 0.00 C ATOM 333 CG LYS A 27 -1.969 -1.219 8.142 1.00 0.00 C ATOM 334 CD LYS A 27 -1.171 -2.047 9.156 1.00 0.00 C ATOM 335 CE LYS A 27 0.326 -1.883 8.910 1.00 0.00 C ATOM 336 NZ LYS A 27 1.181 -2.730 9.766 1.00 0.00 N ATOM 0 H LYS A 27 -0.845 0.832 6.402 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.515 0.676 7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.963 0.592 8.707 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.531 0.380 9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.991 -1.594 8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.533 -1.336 7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.417 -1.730 10.169 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.447 -3.098 9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.538 -2.112 7.866 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.596 -0.839 9.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.130 -2.310 9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.764 -2.796 10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.253 -3.681 9.352 1.00 0.00 H new ATOM 350 N GLU A 28 -2.122 3.453 8.270 1.00 0.00 N ATOM 351 CA GLU A 28 -2.387 4.770 8.842 1.00 0.00 C ATOM 352 C GLU A 28 -3.284 5.591 7.915 1.00 0.00 C ATOM 353 O GLU A 28 -4.316 6.085 8.354 1.00 0.00 O ATOM 354 CB GLU A 28 -1.097 5.568 9.135 1.00 0.00 C ATOM 355 CG GLU A 28 0.098 4.783 9.680 1.00 0.00 C ATOM 356 CD GLU A 28 -0.313 3.793 10.785 1.00 0.00 C ATOM 357 OE1 GLU A 28 -0.605 4.225 11.921 1.00 0.00 O ATOM 358 OE2 GLU A 28 -0.487 2.582 10.511 1.00 0.00 O ATOM 0 H GLU A 28 -1.136 3.299 8.057 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.892 4.592 9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.787 6.060 8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.340 6.354 9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.575 4.238 8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.838 5.479 10.075 1.00 0.00 H new ATOM 365 N GLN A 29 -2.899 5.766 6.647 1.00 0.00 N ATOM 366 CA GLN A 29 -3.635 6.517 5.618 1.00 0.00 C ATOM 367 C GLN A 29 -5.059 6.002 5.428 1.00 0.00 C ATOM 368 O GLN A 29 -5.965 6.802 5.212 1.00 0.00 O ATOM 369 CB GLN A 29 -2.933 6.320 4.265 1.00 0.00 C ATOM 370 CG GLN A 29 -1.735 7.215 3.967 1.00 0.00 C ATOM 371 CD GLN A 29 -2.086 8.527 3.272 1.00 0.00 C ATOM 372 OE1 GLN A 29 -1.757 9.695 3.795 1.00 0.00 O flip ATOM 373 NE2 GLN A 29 -2.617 8.497 2.176 1.00 0.00 N flip ATOM 0 H GLN A 29 -2.028 5.372 6.291 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.661 7.557 5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.604 5.283 4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.671 6.469 3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.223 7.439 4.903 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.032 6.664 3.343 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.877 7.603 1.759 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.802 9.366 1.675 1.00 0.00 H new ATOM 382 N LEU A 30 -5.276 4.686 5.443 1.00 0.00 N ATOM 383 CA LEU A 30 -6.605 4.147 5.278 1.00 0.00 C ATOM 384 C LEU A 30 -7.408 4.589 6.494 1.00 0.00 C ATOM 385 O LEU A 30 -8.464 5.184 6.316 1.00 0.00 O ATOM 386 CB LEU A 30 -6.568 2.622 5.087 1.00 0.00 C ATOM 387 CG LEU A 30 -5.894 2.143 3.778 1.00 0.00 C ATOM 388 CD1 LEU A 30 -6.012 0.622 3.693 1.00 0.00 C ATOM 389 CD2 LEU A 30 -6.446 2.736 2.478 1.00 0.00 C ATOM 0 H LEU A 30 -4.545 3.986 5.568 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.083 4.523 4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.042 2.178 5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.590 2.243 5.112 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.865 2.495 3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.541 0.271 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.515 0.170 4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.064 0.338 3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.897 2.327 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.502 2.483 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.332 3.820 2.496 1.00 0.00 H new ATOM 401 N LEU A 31 -6.892 4.396 7.712 1.00 0.00 N ATOM 402 CA LEU A 31 -7.523 4.892 8.934 1.00 0.00 C ATOM 403 C LEU A 31 -7.781 6.401 8.870 1.00 0.00 C ATOM 404 O LEU A 31 -8.838 6.863 9.286 1.00 0.00 O ATOM 405 CB LEU A 31 -6.645 4.539 10.151 1.00 0.00 C ATOM 406 CG LEU A 31 -7.368 3.584 11.112 1.00 0.00 C ATOM 407 CD1 LEU A 31 -6.347 2.877 11.998 1.00 0.00 C ATOM 408 CD2 LEU A 31 -8.386 4.341 11.968 1.00 0.00 C ATOM 0 H LEU A 31 -6.022 3.889 7.876 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.493 4.407 9.037 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.717 4.079 9.810 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.373 5.452 10.681 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.909 2.840 10.526 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.863 2.200 12.679 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.656 2.308 11.375 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.791 3.617 12.574 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.886 3.644 12.641 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.873 5.105 12.552 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.125 4.814 11.321 1.00 0.00 H new ATOM 420 N LYS A 32 -6.861 7.157 8.265 1.00 0.00 N ATOM 421 CA LYS A 32 -6.890 8.610 8.101 1.00 0.00 C ATOM 422 C LYS A 32 -8.161 9.106 7.413 1.00 0.00 C ATOM 423 O LYS A 32 -8.558 10.253 7.608 1.00 0.00 O ATOM 424 CB LYS A 32 -5.646 9.048 7.307 1.00 0.00 C ATOM 425 CG LYS A 32 -5.167 10.438 7.702 1.00 0.00 C ATOM 426 CD LYS A 32 -3.983 10.938 6.868 1.00 0.00 C ATOM 427 CE LYS A 32 -4.489 11.643 5.605 1.00 0.00 C ATOM 428 NZ LYS A 32 -3.370 12.106 4.770 1.00 0.00 N ATOM 0 H LYS A 32 -6.025 6.744 7.852 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.885 9.057 9.095 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.843 8.330 7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.875 9.034 6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.994 11.141 7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.882 10.430 8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.376 11.624 7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.342 10.100 6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.116 10.961 5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.113 12.492 5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.742 12.609 3.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.767 12.748 5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.809 11.288 4.457 1.00 0.00 H new ATOM 442 N HIS A 33 -8.799 8.256 6.614 1.00 0.00 N ATOM 443 CA HIS A 33 -10.069 8.547 5.954 1.00 0.00 C ATOM 444 C HIS A 33 -11.128 7.466 6.243 1.00 0.00 C ATOM 445 O HIS A 33 -12.127 7.365 5.521 1.00 0.00 O ATOM 446 CB HIS A 33 -9.830 8.775 4.462 1.00 0.00 C ATOM 447 CG HIS A 33 -8.779 9.810 4.115 1.00 0.00 C ATOM 448 ND1 HIS A 33 -8.965 11.169 3.955 1.00 0.00 N ATOM 449 CD2 HIS A 33 -7.476 9.537 3.801 1.00 0.00 C ATOM 450 CE1 HIS A 33 -7.814 11.686 3.486 1.00 0.00 C ATOM 451 NE2 HIS A 33 -6.872 10.733 3.411 1.00 0.00 N ATOM 0 H HIS A 33 -8.440 7.325 6.402 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.483 9.467 6.366 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.542 7.826 4.010 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -10.773 9.073 4.003 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -9.820 11.687 4.156 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.000 8.569 3.847 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.669 12.720 3.210 1.00 0.00 H new ATOM 459 N ASN A 34 -10.888 6.645 7.273 1.00 0.00 N ATOM 460 CA ASN A 34 -11.537 5.386 7.634 1.00 0.00 C ATOM 461 C ASN A 34 -11.828 4.534 6.402 1.00 0.00 C ATOM 462 O ASN A 34 -12.967 4.442 5.949 1.00 0.00 O ATOM 463 CB ASN A 34 -12.809 5.594 8.469 1.00 0.00 C ATOM 464 CG ASN A 34 -12.601 6.155 9.864 1.00 0.00 C ATOM 465 OD1 ASN A 34 -13.243 7.138 10.211 1.00 0.00 O ATOM 466 ND2 ASN A 34 -11.804 5.539 10.712 1.00 0.00 N ATOM 0 H ASN A 34 -10.155 6.875 7.944 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.829 4.846 8.263 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.473 6.265 7.924 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.324 4.637 8.556 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.717 5.880 11.669 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.274 4.721 10.412 1.00 0.00 H new ATOM 473 N ILE A 35 -10.808 3.904 5.831 1.00 0.00 N ATOM 474 CA ILE A 35 -10.935 3.004 4.700 1.00 0.00 C ATOM 475 C ILE A 35 -10.533 1.611 5.204 1.00 0.00 C ATOM 476 O ILE A 35 -9.752 1.481 6.150 1.00 0.00 O ATOM 477 CB ILE A 35 -10.089 3.560 3.528 1.00 0.00 C ATOM 478 CG1 ILE A 35 -10.542 4.963 3.051 1.00 0.00 C ATOM 479 CG2 ILE A 35 -10.096 2.583 2.346 1.00 0.00 C ATOM 480 CD1 ILE A 35 -9.566 5.565 2.033 1.00 0.00 C ATOM 0 H ILE A 35 -9.846 4.010 6.153 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.947 2.923 4.303 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.076 3.669 3.915 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.534 4.892 2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.626 5.629 3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.496 2.992 1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.677 1.627 2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.120 2.435 2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.922 6.548 1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.580 5.662 2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.501 4.913 1.162 1.00 0.00 H new ATOM 492 N GLY A 36 -11.073 0.556 4.592 1.00 0.00 N ATOM 493 CA GLY A 36 -10.796 -0.831 4.949 1.00 0.00 C ATOM 494 C GLY A 36 -9.763 -1.434 4.005 1.00 0.00 C ATOM 495 O GLY A 36 -9.383 -0.806 3.014 1.00 0.00 O ATOM 0 H GLY A 36 -11.730 0.647 3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.432 -0.882 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.717 -1.413 4.908 1.00 0.00 H new ATOM 499 N GLN A 37 -9.294 -2.647 4.292 1.00 0.00 N ATOM 500 CA GLN A 37 -8.188 -3.260 3.559 1.00 0.00 C ATOM 501 C GLN A 37 -8.632 -4.181 2.426 1.00 0.00 C ATOM 502 O GLN A 37 -7.864 -4.364 1.480 1.00 0.00 O ATOM 503 CB GLN A 37 -7.249 -3.943 4.569 1.00 0.00 C ATOM 504 CG GLN A 37 -6.142 -2.954 4.959 1.00 0.00 C ATOM 505 CD GLN A 37 -5.703 -2.938 6.424 1.00 0.00 C ATOM 506 OE1 GLN A 37 -5.392 -1.869 6.959 1.00 0.00 O ATOM 507 NE2 GLN A 37 -5.569 -4.086 7.062 1.00 0.00 N ATOM 0 H GLN A 37 -9.670 -3.232 5.038 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.640 -2.474 3.039 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.806 -4.254 5.453 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.815 -4.843 4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.266 -3.168 4.346 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.477 -1.951 4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.831 -4.958 6.603 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.203 -4.101 8.014 1.00 0.00 H new ATOM 516 N ARG A 38 -9.875 -4.673 2.444 1.00 0.00 N ATOM 517 CA ARG A 38 -10.401 -5.513 1.372 1.00 0.00 C ATOM 518 C ARG A 38 -10.348 -4.769 0.047 1.00 0.00 C ATOM 519 O ARG A 38 -9.754 -5.273 -0.906 1.00 0.00 O ATOM 520 CB ARG A 38 -11.813 -5.998 1.729 1.00 0.00 C ATOM 521 CG ARG A 38 -12.511 -6.727 0.571 1.00 0.00 C ATOM 522 CD ARG A 38 -13.613 -7.619 1.148 1.00 0.00 C ATOM 523 NE ARG A 38 -14.363 -8.349 0.117 1.00 0.00 N ATOM 524 CZ ARG A 38 -15.447 -9.096 0.370 1.00 0.00 C ATOM 525 NH1 ARG A 38 -15.793 -9.386 1.621 1.00 0.00 N ATOM 526 NH2 ARG A 38 -16.191 -9.540 -0.630 1.00 0.00 N ATOM 0 H ARG A 38 -10.539 -4.499 3.199 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.779 -6.401 1.259 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.755 -6.666 2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.419 -5.143 2.030 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.935 -6.007 -0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.792 -7.327 0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.168 -8.334 1.840 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.304 -7.005 1.725 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.040 -8.284 -0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.232 -9.039 2.399 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.620 -9.955 1.803 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.940 -9.314 -1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -17.016 -10.108 -0.439 1.00 0.00 H new ATOM 540 N VAL A 39 -10.952 -3.580 -0.013 1.00 0.00 N ATOM 541 CA VAL A 39 -10.976 -2.766 -1.217 1.00 0.00 C ATOM 542 C VAL A 39 -9.535 -2.441 -1.612 1.00 0.00 C ATOM 543 O VAL A 39 -9.142 -2.733 -2.733 1.00 0.00 O ATOM 544 CB VAL A 39 -11.888 -1.536 -0.994 1.00 0.00 C ATOM 545 CG1 VAL A 39 -11.640 -0.341 -1.920 1.00 0.00 C ATOM 546 CG2 VAL A 39 -13.348 -1.953 -1.166 1.00 0.00 C ATOM 0 H VAL A 39 -11.438 -3.159 0.778 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.414 -3.296 -2.063 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.649 -1.199 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.336 0.461 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -10.617 0.013 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.791 -0.646 -2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.994 -1.089 -1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.499 -2.342 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -13.594 -2.726 -0.438 1.00 0.00 H new ATOM 556 N PHE A 40 -8.714 -1.886 -0.723 1.00 0.00 N ATOM 557 CA PHE A 40 -7.365 -1.453 -1.064 1.00 0.00 C ATOM 558 C PHE A 40 -6.565 -2.596 -1.701 1.00 0.00 C ATOM 559 O PHE A 40 -5.968 -2.422 -2.764 1.00 0.00 O ATOM 560 CB PHE A 40 -6.698 -0.820 0.165 1.00 0.00 C ATOM 561 CG PHE A 40 -5.237 -0.489 -0.048 1.00 0.00 C ATOM 562 CD1 PHE A 40 -4.255 -1.472 0.166 1.00 0.00 C ATOM 563 CD2 PHE A 40 -4.859 0.784 -0.508 1.00 0.00 C ATOM 564 CE1 PHE A 40 -2.905 -1.183 -0.088 1.00 0.00 C ATOM 565 CE2 PHE A 40 -3.507 1.069 -0.750 1.00 0.00 C ATOM 566 CZ PHE A 40 -2.527 0.090 -0.543 1.00 0.00 C ATOM 0 H PHE A 40 -8.967 -1.725 0.252 1.00 0.00 H new ATOM 0 HA PHE A 40 -7.403 -0.676 -1.828 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.234 0.091 0.431 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.789 -1.502 1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.539 -2.450 0.526 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.609 1.543 -0.675 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.154 -1.943 0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -3.220 2.050 -1.098 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.487 0.313 -0.732 1.00 0.00 H new ATOM 576 N GLY A 41 -6.630 -3.798 -1.131 1.00 0.00 N ATOM 577 CA GLY A 41 -5.964 -4.951 -1.670 1.00 0.00 C ATOM 578 C GLY A 41 -6.609 -5.463 -2.942 1.00 0.00 C ATOM 579 O GLY A 41 -5.904 -6.089 -3.712 1.00 0.00 O ATOM 0 H GLY A 41 -7.154 -3.986 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.922 -4.701 -1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.963 -5.746 -0.924 1.00 0.00 H new ATOM 583 N HIS A 42 -7.892 -5.215 -3.198 1.00 0.00 N ATOM 584 CA HIS A 42 -8.565 -5.615 -4.428 1.00 0.00 C ATOM 585 C HIS A 42 -8.255 -4.651 -5.582 1.00 0.00 C ATOM 586 O HIS A 42 -8.110 -5.090 -6.716 1.00 0.00 O ATOM 587 CB HIS A 42 -10.071 -5.654 -4.145 1.00 0.00 C ATOM 588 CG HIS A 42 -10.929 -6.166 -5.266 1.00 0.00 C ATOM 589 ND1 HIS A 42 -11.728 -5.398 -6.064 1.00 0.00 N flip ATOM 590 CD2 HIS A 42 -11.194 -7.486 -5.554 1.00 0.00 C flip ATOM 591 CE1 HIS A 42 -12.518 -6.259 -6.821 1.00 0.00 C flip ATOM 592 NE2 HIS A 42 -12.162 -7.509 -6.485 1.00 0.00 N flip ATOM 0 H HIS A 42 -8.501 -4.722 -2.545 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.208 -6.597 -4.738 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -10.241 -6.277 -3.267 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -10.401 -4.647 -3.890 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -11.743 -4.379 -6.099 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -10.712 -8.346 -5.112 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -13.272 -5.976 -7.540 1.00 0.00 H new ATOM 600 N TYR A 43 -8.153 -3.344 -5.321 1.00 0.00 N ATOM 601 CA TYR A 43 -7.938 -2.343 -6.363 1.00 0.00 C ATOM 602 C TYR A 43 -6.445 -2.115 -6.548 1.00 0.00 C ATOM 603 O TYR A 43 -5.899 -2.523 -7.573 1.00 0.00 O ATOM 604 CB TYR A 43 -8.719 -1.050 -6.077 1.00 0.00 C ATOM 605 CG TYR A 43 -10.213 -1.225 -6.291 1.00 0.00 C ATOM 606 CD1 TYR A 43 -10.999 -1.758 -5.262 1.00 0.00 C ATOM 607 CD2 TYR A 43 -10.818 -0.910 -7.520 1.00 0.00 C ATOM 608 CE1 TYR A 43 -12.369 -2.001 -5.437 1.00 0.00 C ATOM 609 CE2 TYR A 43 -12.193 -1.150 -7.712 1.00 0.00 C ATOM 610 CZ TYR A 43 -12.974 -1.705 -6.675 1.00 0.00 C ATOM 611 OH TYR A 43 -14.303 -1.936 -6.849 1.00 0.00 O ATOM 0 H TYR A 43 -8.218 -2.953 -4.381 1.00 0.00 H new ATOM 0 HA TYR A 43 -8.334 -2.714 -7.308 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -8.535 -0.736 -5.050 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -8.351 -0.254 -6.725 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -10.540 -1.987 -4.312 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -10.228 -0.484 -8.318 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -12.956 -2.412 -4.629 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.653 -0.908 -8.659 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.564 -1.677 -7.758 1.00 0.00 H new ATOM 621 N VAL A 44 -5.791 -1.483 -5.570 1.00 0.00 N ATOM 622 CA VAL A 44 -4.400 -1.033 -5.642 1.00 0.00 C ATOM 623 C VAL A 44 -3.518 -2.244 -5.926 1.00 0.00 C ATOM 624 O VAL A 44 -2.720 -2.231 -6.865 1.00 0.00 O ATOM 625 CB VAL A 44 -4.005 -0.295 -4.335 1.00 0.00 C ATOM 626 CG1 VAL A 44 -2.566 0.263 -4.345 1.00 0.00 C ATOM 627 CG2 VAL A 44 -5.008 0.843 -4.089 1.00 0.00 C ATOM 0 H VAL A 44 -6.231 -1.263 -4.676 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.265 -0.315 -6.451 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.034 -1.028 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.364 0.765 -3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.859 -0.556 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.457 0.975 -5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.742 1.371 -3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.983 1.538 -4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.011 0.429 -3.991 1.00 0.00 H new ATOM 637 N LEU A 45 -3.693 -3.309 -5.142 1.00 0.00 N ATOM 638 CA LEU A 45 -2.802 -4.463 -5.158 1.00 0.00 C ATOM 639 C LEU A 45 -3.335 -5.572 -6.060 1.00 0.00 C ATOM 640 O LEU A 45 -2.538 -6.209 -6.748 1.00 0.00 O ATOM 641 CB LEU A 45 -2.576 -4.969 -3.721 1.00 0.00 C ATOM 642 CG LEU A 45 -2.109 -3.873 -2.742 1.00 0.00 C ATOM 643 CD1 LEU A 45 -1.986 -4.425 -1.325 1.00 0.00 C ATOM 644 CD2 LEU A 45 -0.762 -3.272 -3.129 1.00 0.00 C ATOM 0 H LEU A 45 -4.461 -3.393 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.843 -4.152 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.503 -5.404 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.834 -5.767 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.869 -3.093 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.655 -3.633 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.955 -4.799 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.260 -5.238 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.484 -2.506 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.004 -4.055 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.835 -2.824 -4.120 1.00 0.00 H new ATOM 656 N GLY A 46 -4.653 -5.787 -6.095 1.00 0.00 N ATOM 657 CA GLY A 46 -5.281 -6.814 -6.929 1.00 0.00 C ATOM 658 C GLY A 46 -5.304 -8.201 -6.284 1.00 0.00 C ATOM 659 O GLY A 46 -5.664 -9.177 -6.944 1.00 0.00 O ATOM 0 H GLY A 46 -5.319 -5.249 -5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.303 -6.511 -7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.749 -6.873 -7.879 1.00 0.00 H new ATOM 663 N LEU A 47 -4.885 -8.324 -5.025 1.00 0.00 N ATOM 664 CA LEU A 47 -4.688 -9.566 -4.313 1.00 0.00 C ATOM 665 C LEU A 47 -5.973 -9.932 -3.560 1.00 0.00 C ATOM 666 O LEU A 47 -6.932 -9.148 -3.482 1.00 0.00 O ATOM 667 CB LEU A 47 -3.517 -9.336 -3.339 1.00 0.00 C ATOM 668 CG LEU A 47 -2.124 -9.217 -3.986 1.00 0.00 C ATOM 669 CD1 LEU A 47 -1.084 -8.713 -2.977 1.00 0.00 C ATOM 670 CD2 LEU A 47 -1.634 -10.570 -4.492 1.00 0.00 C ATOM 0 H LEU A 47 -4.665 -7.510 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.459 -10.391 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.713 -8.426 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.496 -10.158 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.229 -8.513 -4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.111 -8.639 -3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.381 -7.731 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.020 -9.410 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.649 -10.455 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.571 -11.269 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.331 -10.954 -5.236 1.00 0.00 H new ATOM 682 N SER A 48 -5.987 -11.120 -2.960 1.00 0.00 N ATOM 683 CA SER A 48 -6.977 -11.477 -1.958 1.00 0.00 C ATOM 684 C SER A 48 -6.828 -10.569 -0.733 1.00 0.00 C ATOM 685 O SER A 48 -5.738 -10.078 -0.421 1.00 0.00 O ATOM 686 CB SER A 48 -6.799 -12.949 -1.579 1.00 0.00 C ATOM 687 OG SER A 48 -7.774 -13.353 -0.646 1.00 0.00 O ATOM 0 H SER A 48 -5.312 -11.858 -3.157 1.00 0.00 H new ATOM 0 HA SER A 48 -7.981 -11.338 -2.359 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.867 -13.569 -2.473 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.804 -13.102 -1.160 1.00 0.00 H new ATOM 0 HG SER A 48 -7.640 -14.297 -0.421 1.00 0.00 H new ATOM 693 N GLN A 49 -7.933 -10.403 -0.006 1.00 0.00 N ATOM 694 CA GLN A 49 -7.999 -9.733 1.287 1.00 0.00 C ATOM 695 C GLN A 49 -7.166 -10.472 2.346 1.00 0.00 C ATOM 696 O GLN A 49 -6.765 -9.870 3.345 1.00 0.00 O ATOM 697 CB GLN A 49 -9.477 -9.638 1.700 1.00 0.00 C ATOM 698 CG GLN A 49 -10.087 -11.003 2.057 1.00 0.00 C ATOM 699 CD GLN A 49 -11.605 -10.951 2.025 1.00 0.00 C ATOM 700 OE1 GLN A 49 -12.248 -10.301 2.844 1.00 0.00 O ATOM 701 NE2 GLN A 49 -12.206 -11.602 1.053 1.00 0.00 N ATOM 0 H GLN A 49 -8.842 -10.747 -0.317 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.573 -8.733 1.206 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.567 -8.970 2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.049 -9.192 0.886 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.731 -11.758 1.356 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.752 -11.306 3.049 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.656 -12.137 0.381 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.222 -11.572 0.971 1.00 0.00 H new ATOM 710 N GLY A 50 -6.913 -11.769 2.138 1.00 0.00 N ATOM 711 CA GLY A 50 -5.997 -12.558 2.939 1.00 0.00 C ATOM 712 C GLY A 50 -4.570 -12.144 2.625 1.00 0.00 C ATOM 713 O GLY A 50 -3.859 -11.643 3.498 1.00 0.00 O ATOM 0 H GLY A 50 -7.354 -12.303 1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.205 -12.413 3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.134 -13.619 2.730 1.00 0.00 H new ATOM 717 N SER A 51 -4.192 -12.298 1.355 1.00 0.00 N ATOM 718 CA SER A 51 -2.855 -12.061 0.849 1.00 0.00 C ATOM 719 C SER A 51 -2.303 -10.699 1.295 1.00 0.00 C ATOM 720 O SER A 51 -1.209 -10.702 1.850 1.00 0.00 O ATOM 721 CB SER A 51 -2.861 -12.232 -0.671 1.00 0.00 C ATOM 722 OG SER A 51 -3.430 -13.470 -1.068 1.00 0.00 O ATOM 0 H SER A 51 -4.840 -12.603 0.629 1.00 0.00 H new ATOM 0 HA SER A 51 -2.173 -12.797 1.275 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.421 -11.414 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.840 -12.166 -1.047 1.00 0.00 H new ATOM 0 HG SER A 51 -3.416 -13.538 -2.046 1.00 0.00 H new ATOM 728 N VAL A 52 -2.995 -9.560 1.097 1.00 0.00 N ATOM 729 CA VAL A 52 -2.495 -8.258 1.579 1.00 0.00 C ATOM 730 C VAL A 52 -2.446 -8.154 3.100 1.00 0.00 C ATOM 731 O VAL A 52 -1.536 -7.547 3.654 1.00 0.00 O ATOM 732 CB VAL A 52 -3.323 -7.084 1.019 1.00 0.00 C ATOM 733 CG1 VAL A 52 -3.595 -7.301 -0.467 1.00 0.00 C ATOM 734 CG2 VAL A 52 -4.637 -6.673 1.718 1.00 0.00 C ATOM 0 H VAL A 52 -3.891 -9.515 0.612 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.473 -8.194 1.207 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.669 -6.237 1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.180 -6.468 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.649 -7.362 -1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.150 -8.229 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.083 -5.832 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.330 -7.514 1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.426 -6.383 2.747 1.00 0.00 H new ATOM 744 N SER A 53 -3.427 -8.717 3.795 1.00 0.00 N ATOM 745 CA SER A 53 -3.485 -8.644 5.246 1.00 0.00 C ATOM 746 C SER A 53 -2.245 -9.289 5.865 1.00 0.00 C ATOM 747 O SER A 53 -1.759 -8.776 6.868 1.00 0.00 O ATOM 748 CB SER A 53 -4.793 -9.262 5.731 1.00 0.00 C ATOM 749 OG SER A 53 -4.906 -9.264 7.145 1.00 0.00 O ATOM 0 H SER A 53 -4.198 -9.233 3.371 1.00 0.00 H new ATOM 0 HA SER A 53 -3.478 -7.604 5.572 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.631 -8.711 5.304 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.865 -10.286 5.363 1.00 0.00 H new ATOM 0 HG SER A 53 -5.760 -9.668 7.404 1.00 0.00 H new ATOM 755 N GLU A 54 -1.703 -10.353 5.271 1.00 0.00 N ATOM 756 CA GLU A 54 -0.394 -10.892 5.620 1.00 0.00 C ATOM 757 C GLU A 54 0.694 -9.827 5.452 1.00 0.00 C ATOM 758 O GLU A 54 1.522 -9.663 6.344 1.00 0.00 O ATOM 759 CB GLU A 54 -0.136 -12.121 4.742 1.00 0.00 C ATOM 760 CG GLU A 54 1.328 -12.401 4.415 1.00 0.00 C ATOM 761 CD GLU A 54 2.209 -12.911 5.544 1.00 0.00 C ATOM 762 OE1 GLU A 54 1.723 -13.241 6.648 1.00 0.00 O ATOM 763 OE2 GLU A 54 3.415 -13.078 5.243 1.00 0.00 O ATOM 0 H GLU A 54 -2.169 -10.869 4.525 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.372 -11.191 6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.552 -12.996 5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.682 -11.998 3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.359 -13.131 3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.770 -11.481 4.031 1.00 0.00 H new ATOM 770 N ILE A 55 0.730 -9.132 4.310 1.00 0.00 N ATOM 771 CA ILE A 55 1.765 -8.150 3.988 1.00 0.00 C ATOM 772 C ILE A 55 1.764 -7.068 5.079 1.00 0.00 C ATOM 773 O ILE A 55 2.819 -6.611 5.515 1.00 0.00 O ATOM 774 CB ILE A 55 1.509 -7.546 2.581 1.00 0.00 C ATOM 775 CG1 ILE A 55 1.282 -8.616 1.497 1.00 0.00 C ATOM 776 CG2 ILE A 55 2.623 -6.618 2.106 1.00 0.00 C ATOM 777 CD1 ILE A 55 1.389 -8.145 0.041 1.00 0.00 C ATOM 0 H ILE A 55 0.031 -9.239 3.575 1.00 0.00 H new ATOM 0 HA ILE A 55 2.746 -8.624 3.961 1.00 0.00 H new ATOM 0 HB ILE A 55 0.596 -6.965 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.005 -9.417 1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.292 -9.047 1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.378 -6.232 1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.727 -5.787 2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.561 -7.171 2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.210 -8.987 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.647 -7.369 -0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.386 -7.744 -0.139 1.00 0.00 H new ATOM 789 N LEU A 56 0.570 -6.681 5.532 1.00 0.00 N ATOM 790 CA LEU A 56 0.354 -5.665 6.551 1.00 0.00 C ATOM 791 C LEU A 56 0.612 -6.150 7.960 1.00 0.00 C ATOM 792 O LEU A 56 1.034 -5.369 8.812 1.00 0.00 O ATOM 793 CB LEU A 56 -1.096 -5.191 6.479 1.00 0.00 C ATOM 794 CG LEU A 56 -1.409 -4.423 5.196 1.00 0.00 C ATOM 795 CD1 LEU A 56 -2.862 -4.000 5.256 1.00 0.00 C ATOM 796 CD2 LEU A 56 -0.494 -3.198 5.057 1.00 0.00 C ATOM 0 H LEU A 56 -0.300 -7.084 5.184 1.00 0.00 H new ATOM 0 HA LEU A 56 1.065 -4.866 6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.759 -6.054 6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.308 -4.554 7.338 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.234 -5.056 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.118 -3.448 4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.495 -4.884 5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.020 -3.364 6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.735 -2.667 4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.643 -2.534 5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.546 -3.522 5.027 1.00 0.00 H new ATOM 808 N ALA A 57 0.290 -7.409 8.213 1.00 0.00 N ATOM 809 CA ALA A 57 0.520 -8.075 9.470 1.00 0.00 C ATOM 810 C ALA A 57 2.023 -8.154 9.687 1.00 0.00 C ATOM 811 O ALA A 57 2.547 -7.629 10.669 1.00 0.00 O ATOM 812 CB ALA A 57 -0.113 -9.466 9.395 1.00 0.00 C ATOM 0 H ALA A 57 -0.154 -8.010 7.519 1.00 0.00 H new ATOM 0 HA ALA A 57 0.074 -7.539 10.307 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.048 -9.990 10.337 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.183 -9.369 9.212 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.344 -10.031 8.582 1.00 0.00 H new ATOM 818 N ARG A 58 2.707 -8.827 8.763 1.00 0.00 N ATOM 819 CA ARG A 58 4.073 -9.291 8.911 1.00 0.00 C ATOM 820 C ARG A 58 4.843 -8.962 7.640 1.00 0.00 C ATOM 821 O ARG A 58 5.161 -9.871 6.865 1.00 0.00 O ATOM 822 CB ARG A 58 4.046 -10.786 9.259 1.00 0.00 C ATOM 823 CG ARG A 58 3.317 -10.968 10.601 1.00 0.00 C ATOM 824 CD ARG A 58 3.685 -12.247 11.342 1.00 0.00 C ATOM 825 NE ARG A 58 5.036 -12.193 11.928 1.00 0.00 N ATOM 826 CZ ARG A 58 5.796 -13.254 12.217 1.00 0.00 C ATOM 827 NH1 ARG A 58 5.397 -14.476 11.879 1.00 0.00 N ATOM 828 NH2 ARG A 58 6.948 -13.085 12.855 1.00 0.00 N ATOM 0 H ARG A 58 2.303 -9.070 7.858 1.00 0.00 H new ATOM 0 HA ARG A 58 4.594 -8.789 9.726 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.539 -11.347 8.474 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.061 -11.177 9.325 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.539 -10.114 11.241 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.242 -10.962 10.422 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.957 -12.427 12.133 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.624 -13.091 10.655 1.00 0.00 H new ATOM 0 HE ARG A 58 5.423 -11.271 12.130 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.508 -14.607 11.397 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.980 -15.283 12.102 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.250 -12.148 13.123 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.531 -13.892 13.077 1.00 0.00 H new ATOM 842 N PRO A 59 5.160 -7.678 7.421 1.00 0.00 N ATOM 843 CA PRO A 59 6.004 -7.261 6.324 1.00 0.00 C ATOM 844 C PRO A 59 7.388 -7.832 6.597 1.00 0.00 C ATOM 845 O PRO A 59 8.092 -7.401 7.513 1.00 0.00 O ATOM 846 CB PRO A 59 5.976 -5.731 6.292 1.00 0.00 C ATOM 847 CG PRO A 59 5.532 -5.332 7.699 1.00 0.00 C ATOM 848 CD PRO A 59 4.856 -6.562 8.301 1.00 0.00 C ATOM 0 HA PRO A 59 5.677 -7.619 5.348 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.957 -5.320 6.053 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.283 -5.362 5.536 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.385 -5.023 8.303 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.843 -4.488 7.665 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.225 -6.752 9.309 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.779 -6.413 8.379 1.00 0.00 H new ATOM 856 N LYS A 60 7.784 -8.843 5.827 1.00 0.00 N ATOM 857 CA LYS A 60 9.163 -9.241 5.724 1.00 0.00 C ATOM 858 C LYS A 60 9.913 -8.105 5.031 1.00 0.00 C ATOM 859 O LYS A 60 9.297 -7.282 4.344 1.00 0.00 O ATOM 860 CB LYS A 60 9.211 -10.578 4.967 1.00 0.00 C ATOM 861 CG LYS A 60 8.920 -11.710 5.951 1.00 0.00 C ATOM 862 CD LYS A 60 9.121 -13.103 5.351 1.00 0.00 C ATOM 863 CE LYS A 60 8.051 -13.368 4.292 1.00 0.00 C ATOM 864 NZ LYS A 60 8.168 -14.722 3.726 1.00 0.00 N ATOM 0 H LYS A 60 7.147 -9.403 5.260 1.00 0.00 H new ATOM 0 HA LYS A 60 9.644 -9.407 6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.478 -10.582 4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.190 -10.718 4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.567 -11.600 6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.893 -11.619 6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.113 -13.178 4.906 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.065 -13.858 6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.063 -13.243 4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.139 -12.631 3.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.426 -14.865 3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.102 -14.833 3.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.059 -15.426 4.484 1.00 0.00 H new ATOM 878 N PRO A 61 11.235 -8.051 5.189 1.00 0.00 N ATOM 879 CA PRO A 61 12.051 -7.046 4.555 1.00 0.00 C ATOM 880 C PRO A 61 12.041 -7.266 3.048 1.00 0.00 C ATOM 881 O PRO A 61 12.033 -8.410 2.589 1.00 0.00 O ATOM 882 CB PRO A 61 13.446 -7.264 5.126 1.00 0.00 C ATOM 883 CG PRO A 61 13.479 -8.672 5.718 1.00 0.00 C ATOM 884 CD PRO A 61 12.046 -9.169 5.600 1.00 0.00 C ATOM 0 HA PRO A 61 11.697 -6.031 4.735 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.201 -7.157 4.347 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.669 -6.520 5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.169 -9.316 5.172 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.810 -8.658 6.756 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.979 -9.979 4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.698 -9.566 6.553 1.00 0.00 H new ATOM 892 N TRP A 62 12.166 -6.182 2.289 1.00 0.00 N ATOM 893 CA TRP A 62 12.262 -6.172 0.835 1.00 0.00 C ATOM 894 C TRP A 62 13.241 -7.235 0.340 1.00 0.00 C ATOM 895 O TRP A 62 12.906 -8.024 -0.545 1.00 0.00 O ATOM 896 CB TRP A 62 12.702 -4.763 0.432 1.00 0.00 C ATOM 897 CG TRP A 62 12.904 -4.505 -1.017 1.00 0.00 C ATOM 898 CD1 TRP A 62 14.099 -4.489 -1.652 1.00 0.00 C ATOM 899 CD2 TRP A 62 11.897 -4.099 -1.989 1.00 0.00 C ATOM 900 NE1 TRP A 62 13.890 -4.075 -2.955 1.00 0.00 N ATOM 901 CE2 TRP A 62 12.558 -3.839 -3.221 1.00 0.00 C ATOM 902 CE3 TRP A 62 10.504 -3.876 -1.939 1.00 0.00 C ATOM 903 CZ2 TRP A 62 11.871 -3.392 -4.357 1.00 0.00 C ATOM 904 CZ3 TRP A 62 9.793 -3.487 -3.090 1.00 0.00 C ATOM 905 CH2 TRP A 62 10.477 -3.237 -4.295 1.00 0.00 C ATOM 0 H TRP A 62 12.205 -5.245 2.690 1.00 0.00 H new ATOM 0 HA TRP A 62 11.302 -6.415 0.378 1.00 0.00 H new ATOM 0 HB2 TRP A 62 11.957 -4.058 0.800 1.00 0.00 H new ATOM 0 HB3 TRP A 62 13.635 -4.539 0.949 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.051 -4.754 -1.217 1.00 0.00 H new ATOM 0 HE1 TRP A 62 14.636 -3.958 -3.641 1.00 0.00 H new ATOM 0 HE3 TRP A 62 9.977 -4.006 -1.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 12.406 -3.170 -5.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 8.719 -3.380 -3.049 1.00 0.00 H new ATOM 0 HH2 TRP A 62 9.929 -2.926 -5.172 1.00 0.00 H new ATOM 916 N ARG A 63 14.424 -7.310 0.961 1.00 0.00 N ATOM 917 CA ARG A 63 15.471 -8.257 0.583 1.00 0.00 C ATOM 918 C ARG A 63 15.039 -9.724 0.607 1.00 0.00 C ATOM 919 O ARG A 63 15.556 -10.491 -0.207 1.00 0.00 O ATOM 920 CB ARG A 63 16.720 -8.023 1.440 1.00 0.00 C ATOM 921 CG ARG A 63 16.549 -8.335 2.937 1.00 0.00 C ATOM 922 CD ARG A 63 17.140 -7.205 3.783 1.00 0.00 C ATOM 923 NE ARG A 63 16.840 -7.362 5.210 1.00 0.00 N ATOM 924 CZ ARG A 63 16.472 -6.424 6.091 1.00 0.00 C ATOM 925 NH1 ARG A 63 16.093 -5.206 5.711 1.00 0.00 N ATOM 926 NH2 ARG A 63 16.453 -6.747 7.377 1.00 0.00 N ATOM 0 H ARG A 63 14.680 -6.710 1.745 1.00 0.00 H new ATOM 0 HA ARG A 63 15.702 -8.058 -0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 63 17.532 -8.635 1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.025 -6.982 1.334 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.492 -8.460 3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.043 -9.276 3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 63 18.220 -7.176 3.642 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.747 -6.250 3.434 1.00 0.00 H new ATOM 0 HE ARG A 63 16.923 -8.309 5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 63 16.077 -4.963 4.721 1.00 0.00 H new ATOM 0 HH12 ARG A 63 15.819 -4.516 6.410 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.714 -7.688 7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 63 16.177 -6.054 8.073 1.00 0.00 H new ATOM 940 N LYS A 64 14.126 -10.127 1.504 1.00 0.00 N ATOM 941 CA LYS A 64 13.656 -11.519 1.576 1.00 0.00 C ATOM 942 C LYS A 64 12.762 -11.867 0.383 1.00 0.00 C ATOM 943 O LYS A 64 12.656 -13.040 0.021 1.00 0.00 O ATOM 944 CB LYS A 64 12.857 -11.740 2.868 1.00 0.00 C ATOM 945 CG LYS A 64 13.770 -11.920 4.087 1.00 0.00 C ATOM 946 CD LYS A 64 14.083 -13.384 4.405 1.00 0.00 C ATOM 947 CE LYS A 64 15.203 -13.993 3.570 1.00 0.00 C ATOM 948 NZ LYS A 64 15.485 -15.377 3.995 1.00 0.00 N ATOM 0 H LYS A 64 13.698 -9.507 2.191 1.00 0.00 H new ATOM 0 HA LYS A 64 14.535 -12.163 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.195 -10.890 3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.224 -12.620 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.704 -11.387 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.298 -11.461 4.956 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.350 -13.463 5.459 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.178 -13.974 4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.924 -13.982 2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.104 -13.388 3.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.251 -15.770 3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.774 -15.381 4.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.629 -15.957 3.879 1.00 0.00 H new ATOM 962 N LEU A 65 12.048 -10.885 -0.173 1.00 0.00 N ATOM 963 CA LEU A 65 10.876 -11.147 -1.001 1.00 0.00 C ATOM 964 C LEU A 65 11.277 -11.518 -2.425 1.00 0.00 C ATOM 965 O LEU A 65 12.357 -11.154 -2.907 1.00 0.00 O ATOM 966 CB LEU A 65 9.931 -9.931 -1.023 1.00 0.00 C ATOM 967 CG LEU A 65 9.517 -9.395 0.354 1.00 0.00 C ATOM 968 CD1 LEU A 65 8.646 -8.152 0.185 1.00 0.00 C ATOM 969 CD2 LEU A 65 8.770 -10.454 1.173 1.00 0.00 C ATOM 0 H LEU A 65 12.266 -9.895 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 65 10.349 -11.992 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.414 -9.126 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.031 -10.202 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 65 10.424 -9.135 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.355 -7.776 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.208 -7.384 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.753 -8.408 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.494 -10.037 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.870 -10.759 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.415 -11.320 1.322 1.00 0.00 H new ATOM 981 N THR A 66 10.372 -12.203 -3.120 1.00 0.00 N ATOM 982 CA THR A 66 10.426 -12.379 -4.561 1.00 0.00 C ATOM 983 C THR A 66 9.916 -11.106 -5.235 1.00 0.00 C ATOM 984 O THR A 66 9.401 -10.204 -4.575 1.00 0.00 O ATOM 985 CB THR A 66 9.555 -13.580 -4.963 1.00 0.00 C ATOM 986 OG1 THR A 66 8.210 -13.372 -4.587 1.00 0.00 O ATOM 987 CG2 THR A 66 10.026 -14.867 -4.302 1.00 0.00 C ATOM 0 H THR A 66 9.569 -12.657 -2.686 1.00 0.00 H new ATOM 0 HA THR A 66 11.452 -12.568 -4.878 1.00 0.00 H new ATOM 0 HB THR A 66 9.641 -13.673 -6.046 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.672 -14.147 -4.853 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.384 -15.691 -4.612 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.053 -15.075 -4.601 1.00 0.00 H new ATOM 0 HG23 THR A 66 9.979 -14.758 -3.218 1.00 0.00 H new ATOM 995 N VAL A 67 9.988 -11.068 -6.559 1.00 0.00 N ATOM 996 CA VAL A 67 9.385 -10.045 -7.398 1.00 0.00 C ATOM 997 C VAL A 67 7.882 -9.872 -7.122 1.00 0.00 C ATOM 998 O VAL A 67 7.451 -8.760 -6.826 1.00 0.00 O ATOM 999 CB VAL A 67 9.768 -10.293 -8.861 1.00 0.00 C ATOM 1000 CG1 VAL A 67 11.283 -10.144 -9.061 1.00 0.00 C ATOM 1001 CG2 VAL A 67 9.359 -11.695 -9.291 1.00 0.00 C ATOM 0 H VAL A 67 10.487 -11.776 -7.097 1.00 0.00 H new ATOM 0 HA VAL A 67 9.791 -9.067 -7.141 1.00 0.00 H new ATOM 0 HB VAL A 67 9.245 -9.553 -9.467 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.531 -10.324 -10.107 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.589 -9.135 -8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.806 -10.866 -8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.639 -11.852 -10.333 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.864 -12.430 -8.664 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.280 -11.808 -9.184 1.00 0.00 H new ATOM 1011 N LYS A 68 7.067 -10.935 -7.108 1.00 0.00 N ATOM 1012 CA LYS A 68 5.654 -10.790 -6.776 1.00 0.00 C ATOM 1013 C LYS A 68 5.434 -10.518 -5.288 1.00 0.00 C ATOM 1014 O LYS A 68 4.385 -9.993 -4.917 1.00 0.00 O ATOM 1015 CB LYS A 68 4.865 -12.020 -7.206 1.00 0.00 C ATOM 1016 CG LYS A 68 4.904 -12.276 -8.719 1.00 0.00 C ATOM 1017 CD LYS A 68 3.872 -13.354 -9.038 1.00 0.00 C ATOM 1018 CE LYS A 68 3.839 -13.728 -10.524 1.00 0.00 C ATOM 1019 NZ LYS A 68 2.704 -14.632 -10.806 1.00 0.00 N ATOM 0 H LYS A 68 7.361 -11.888 -7.320 1.00 0.00 H new ATOM 0 HA LYS A 68 5.289 -9.923 -7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.259 -12.894 -6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.828 -11.904 -6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.681 -11.360 -9.267 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.899 -12.597 -9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.091 -14.245 -8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.885 -13.006 -8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.752 -12.826 -11.130 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.775 -14.212 -10.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.697 -14.875 -11.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.803 -15.500 -10.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.812 -14.158 -10.558 1.00 0.00 H new ATOM 1033 N GLY A 69 6.411 -10.835 -4.438 1.00 0.00 N ATOM 1034 CA GLY A 69 6.484 -10.339 -3.080 1.00 0.00 C ATOM 1035 C GLY A 69 6.573 -8.819 -3.051 1.00 0.00 C ATOM 1036 O GLY A 69 5.971 -8.188 -2.187 1.00 0.00 O ATOM 0 H GLY A 69 7.182 -11.454 -4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.605 -10.665 -2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.354 -10.766 -2.581 1.00 0.00 H new ATOM 1040 N LYS A 70 7.335 -8.223 -3.969 1.00 0.00 N ATOM 1041 CA LYS A 70 7.592 -6.789 -4.037 1.00 0.00 C ATOM 1042 C LYS A 70 6.514 -6.024 -4.795 1.00 0.00 C ATOM 1043 O LYS A 70 6.304 -4.865 -4.454 1.00 0.00 O ATOM 1044 CB LYS A 70 8.948 -6.553 -4.710 1.00 0.00 C ATOM 1045 CG LYS A 70 10.112 -6.998 -3.817 1.00 0.00 C ATOM 1046 CD LYS A 70 11.419 -6.933 -4.601 1.00 0.00 C ATOM 1047 CE LYS A 70 12.622 -7.178 -3.686 1.00 0.00 C ATOM 1048 NZ LYS A 70 13.884 -6.864 -4.383 1.00 0.00 N ATOM 0 H LYS A 70 7.805 -8.745 -4.709 1.00 0.00 H new ATOM 0 HA LYS A 70 7.590 -6.413 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.985 -7.097 -5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.056 -5.495 -4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.173 -6.357 -2.937 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.941 -8.014 -3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.406 -7.677 -5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.513 -5.957 -5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.534 -6.564 -2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.631 -8.218 -3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.607 -7.565 -4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.729 -6.891 -5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.207 -5.915 -4.106 1.00 0.00 H new ATOM 1062 N GLU A 71 5.819 -6.643 -5.758 1.00 0.00 N ATOM 1063 CA GLU A 71 4.767 -6.011 -6.563 1.00 0.00 C ATOM 1064 C GLU A 71 3.806 -5.185 -5.703 1.00 0.00 C ATOM 1065 O GLU A 71 3.615 -4.011 -6.016 1.00 0.00 O ATOM 1066 CB GLU A 71 3.975 -7.024 -7.416 1.00 0.00 C ATOM 1067 CG GLU A 71 4.430 -7.072 -8.886 1.00 0.00 C ATOM 1068 CD GLU A 71 3.391 -7.684 -9.846 1.00 0.00 C ATOM 1069 OE1 GLU A 71 2.166 -7.477 -9.677 1.00 0.00 O ATOM 1070 OE2 GLU A 71 3.781 -8.349 -10.837 1.00 0.00 O ATOM 0 H GLU A 71 5.977 -7.620 -6.004 1.00 0.00 H new ATOM 0 HA GLU A 71 5.287 -5.339 -7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.080 -8.017 -6.978 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.916 -6.769 -7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.662 -6.060 -9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.353 -7.648 -8.951 1.00 0.00 H new ATOM 1077 N PRO A 72 3.214 -5.730 -4.623 1.00 0.00 N ATOM 1078 CA PRO A 72 2.311 -4.963 -3.791 1.00 0.00 C ATOM 1079 C PRO A 72 3.041 -3.766 -3.192 1.00 0.00 C ATOM 1080 O PRO A 72 2.585 -2.642 -3.363 1.00 0.00 O ATOM 1081 CB PRO A 72 1.724 -5.945 -2.771 1.00 0.00 C ATOM 1082 CG PRO A 72 2.707 -7.106 -2.759 1.00 0.00 C ATOM 1083 CD PRO A 72 3.317 -7.097 -4.139 1.00 0.00 C ATOM 0 HA PRO A 72 1.484 -4.520 -4.347 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.635 -5.489 -1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.726 -6.272 -3.062 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.467 -6.975 -1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.203 -8.051 -2.553 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.357 -7.420 -4.106 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.790 -7.784 -4.801 1.00 0.00 H new ATOM 1091 N PHE A 73 4.191 -3.964 -2.546 1.00 0.00 N ATOM 1092 CA PHE A 73 4.900 -2.870 -1.895 1.00 0.00 C ATOM 1093 C PHE A 73 5.294 -1.755 -2.859 1.00 0.00 C ATOM 1094 O PHE A 73 5.284 -0.605 -2.435 1.00 0.00 O ATOM 1095 CB PHE A 73 6.140 -3.407 -1.176 1.00 0.00 C ATOM 1096 CG PHE A 73 5.854 -4.242 0.053 1.00 0.00 C ATOM 1097 CD1 PHE A 73 5.518 -3.608 1.261 1.00 0.00 C ATOM 1098 CD2 PHE A 73 5.977 -5.642 0.017 1.00 0.00 C ATOM 1099 CE1 PHE A 73 5.340 -4.364 2.431 1.00 0.00 C ATOM 1100 CE2 PHE A 73 5.867 -6.391 1.199 1.00 0.00 C ATOM 1101 CZ PHE A 73 5.565 -5.751 2.412 1.00 0.00 C ATOM 0 H PHE A 73 4.648 -4.872 -2.462 1.00 0.00 H new ATOM 0 HA PHE A 73 4.211 -2.431 -1.174 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.718 -4.008 -1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.767 -2.564 -0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.396 -2.535 1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.157 -6.143 -0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.030 -3.880 3.345 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.015 -7.461 1.176 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.506 -6.322 3.327 1.00 0.00 H new ATOM 1111 N ILE A 74 5.603 -2.059 -4.120 1.00 0.00 N ATOM 1112 CA ILE A 74 5.825 -1.054 -5.155 1.00 0.00 C ATOM 1113 C ILE A 74 4.524 -0.253 -5.313 1.00 0.00 C ATOM 1114 O ILE A 74 4.526 0.963 -5.133 1.00 0.00 O ATOM 1115 CB ILE A 74 6.285 -1.755 -6.457 1.00 0.00 C ATOM 1116 CG1 ILE A 74 7.680 -2.379 -6.273 1.00 0.00 C ATOM 1117 CG2 ILE A 74 6.307 -0.795 -7.657 1.00 0.00 C ATOM 1118 CD1 ILE A 74 7.927 -3.579 -7.193 1.00 0.00 C ATOM 0 H ILE A 74 5.707 -3.018 -4.452 1.00 0.00 H new ATOM 0 HA ILE A 74 6.618 -0.354 -4.890 1.00 0.00 H new ATOM 0 HB ILE A 74 5.557 -2.539 -6.666 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.439 -1.620 -6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.797 -2.694 -5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.636 -1.332 -8.547 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.306 -0.397 -7.823 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.995 0.026 -7.454 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.927 -3.974 -7.015 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.189 -4.354 -6.986 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.841 -3.264 -8.233 1.00 0.00 H new ATOM 1130 N LYS A 75 3.405 -0.931 -5.599 1.00 0.00 N ATOM 1131 CA LYS A 75 2.084 -0.318 -5.780 1.00 0.00 C ATOM 1132 C LYS A 75 1.709 0.552 -4.573 1.00 0.00 C ATOM 1133 O LYS A 75 1.247 1.677 -4.742 1.00 0.00 O ATOM 1134 CB LYS A 75 1.034 -1.414 -6.060 1.00 0.00 C ATOM 1135 CG LYS A 75 1.285 -2.176 -7.377 1.00 0.00 C ATOM 1136 CD LYS A 75 0.556 -3.525 -7.456 1.00 0.00 C ATOM 1137 CE LYS A 75 1.015 -4.275 -8.715 1.00 0.00 C ATOM 1138 NZ LYS A 75 0.279 -5.539 -8.944 1.00 0.00 N ATOM 0 H LYS A 75 3.393 -1.944 -5.713 1.00 0.00 H new ATOM 0 HA LYS A 75 2.113 0.347 -6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.030 -2.124 -5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.044 -0.959 -6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.969 -1.552 -8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.356 -2.344 -7.491 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.768 -4.119 -6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.522 -3.368 -7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.889 -3.627 -9.582 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.080 -4.492 -8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.917 -6.240 -9.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.077 -5.903 -8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.521 -5.364 -9.584 1.00 0.00 H new ATOM 1152 N MET A 76 1.934 0.099 -3.338 1.00 0.00 N ATOM 1153 CA MET A 76 1.752 0.910 -2.154 1.00 0.00 C ATOM 1154 C MET A 76 2.723 2.087 -2.029 1.00 0.00 C ATOM 1155 O MET A 76 2.301 3.171 -1.643 1.00 0.00 O ATOM 1156 CB MET A 76 1.943 0.016 -0.950 1.00 0.00 C ATOM 1157 CG MET A 76 0.857 -1.008 -0.762 1.00 0.00 C ATOM 1158 SD MET A 76 1.220 -2.765 -0.765 1.00 0.00 S ATOM 1159 CE MET A 76 2.390 -3.028 0.538 1.00 0.00 C ATOM 0 H MET A 76 2.250 -0.850 -3.140 1.00 0.00 H new ATOM 0 HA MET A 76 0.753 1.342 -2.221 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.900 -0.498 -1.042 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.000 0.637 -0.056 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.372 -0.786 0.188 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.119 -0.835 -1.545 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.925 -3.961 0.363 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.100 -2.201 0.562 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.866 -3.084 1.492 1.00 0.00 H new ATOM 1169 N LYS A 77 4.027 1.916 -2.267 1.00 0.00 N ATOM 1170 CA LYS A 77 4.947 3.047 -2.136 1.00 0.00 C ATOM 1171 C LYS A 77 4.593 4.136 -3.173 1.00 0.00 C ATOM 1172 O LYS A 77 4.722 5.326 -2.886 1.00 0.00 O ATOM 1173 CB LYS A 77 6.405 2.591 -2.266 1.00 0.00 C ATOM 1174 CG LYS A 77 7.311 3.565 -1.494 1.00 0.00 C ATOM 1175 CD LYS A 77 8.761 3.503 -1.934 1.00 0.00 C ATOM 1176 CE LYS A 77 9.569 4.749 -1.544 1.00 0.00 C ATOM 1177 NZ LYS A 77 9.239 5.941 -2.357 1.00 0.00 N ATOM 0 H LYS A 77 4.458 1.034 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 77 4.837 3.477 -1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.519 1.581 -1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.696 2.559 -3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.940 4.581 -1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.251 3.341 -0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.229 2.623 -1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.800 3.378 -3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.390 4.975 -0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.632 4.531 -1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.865 6.727 -2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.370 5.721 -3.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.250 6.213 -2.188 1.00 0.00 H new ATOM 1191 N GLN A 78 4.118 3.721 -4.356 1.00 0.00 N ATOM 1192 CA GLN A 78 3.581 4.569 -5.415 1.00 0.00 C ATOM 1193 C GLN A 78 2.335 5.306 -4.917 1.00 0.00 C ATOM 1194 O GLN A 78 2.229 6.517 -5.073 1.00 0.00 O ATOM 1195 CB GLN A 78 3.204 3.694 -6.624 1.00 0.00 C ATOM 1196 CG GLN A 78 4.370 3.275 -7.531 1.00 0.00 C ATOM 1197 CD GLN A 78 4.598 4.236 -8.693 1.00 0.00 C ATOM 1198 OE1 GLN A 78 3.662 4.805 -9.251 1.00 0.00 O ATOM 1199 NE2 GLN A 78 5.827 4.430 -9.112 1.00 0.00 N ATOM 0 H GLN A 78 4.100 2.733 -4.607 1.00 0.00 H new ATOM 0 HA GLN A 78 4.336 5.299 -5.705 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.711 2.794 -6.258 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.474 4.234 -7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.281 3.211 -6.936 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.176 2.277 -7.925 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.604 3.958 -8.649 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.005 5.053 -9.900 1.00 0.00 H new ATOM 1208 N PHE A 79 1.390 4.580 -4.316 1.00 0.00 N ATOM 1209 CA PHE A 79 0.157 5.111 -3.742 1.00 0.00 C ATOM 1210 C PHE A 79 0.469 6.270 -2.790 1.00 0.00 C ATOM 1211 O PHE A 79 -0.110 7.348 -2.916 1.00 0.00 O ATOM 1212 CB PHE A 79 -0.562 3.940 -3.051 1.00 0.00 C ATOM 1213 CG PHE A 79 -1.806 4.249 -2.252 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -3.060 4.266 -2.880 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -1.719 4.417 -0.856 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -4.218 4.443 -2.112 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -2.880 4.573 -0.079 1.00 0.00 C ATOM 1218 CZ PHE A 79 -4.140 4.559 -0.713 1.00 0.00 C ATOM 0 H PHE A 79 1.468 3.568 -4.213 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.499 5.527 -4.507 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.829 3.212 -3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.152 3.455 -2.385 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.132 4.143 -3.951 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.751 4.426 -0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.181 4.491 -2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.808 4.702 0.991 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.043 4.637 -0.125 1.00 0.00 H new ATOM 1228 N LEU A 80 1.427 6.068 -1.882 1.00 0.00 N ATOM 1229 CA LEU A 80 1.833 7.052 -0.874 1.00 0.00 C ATOM 1230 C LEU A 80 2.506 8.300 -1.460 1.00 0.00 C ATOM 1231 O LEU A 80 2.785 9.253 -0.736 1.00 0.00 O ATOM 1232 CB LEU A 80 2.784 6.379 0.123 1.00 0.00 C ATOM 1233 CG LEU A 80 2.090 5.301 0.971 1.00 0.00 C ATOM 1234 CD1 LEU A 80 3.138 4.357 1.545 1.00 0.00 C ATOM 1235 CD2 LEU A 80 1.245 5.905 2.095 1.00 0.00 C ATOM 0 H LEU A 80 1.954 5.197 -1.825 1.00 0.00 H new ATOM 0 HA LEU A 80 0.922 7.398 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.614 5.929 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.208 7.137 0.782 1.00 0.00 H new ATOM 0 HG LEU A 80 1.409 4.749 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.648 3.592 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.686 3.883 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.832 4.920 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.774 5.105 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.883 6.494 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.475 6.546 1.667 1.00 0.00 H new ATOM 1247 N SER A 81 2.814 8.305 -2.756 1.00 0.00 N ATOM 1248 CA SER A 81 3.518 9.404 -3.395 1.00 0.00 C ATOM 1249 C SER A 81 2.650 10.675 -3.475 1.00 0.00 C ATOM 1250 O SER A 81 3.214 11.770 -3.554 1.00 0.00 O ATOM 1251 CB SER A 81 3.996 8.918 -4.773 1.00 0.00 C ATOM 1252 OG SER A 81 5.056 9.701 -5.281 1.00 0.00 O ATOM 0 H SER A 81 2.579 7.542 -3.391 1.00 0.00 H new ATOM 0 HA SER A 81 4.383 9.695 -2.798 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.319 7.880 -4.697 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.161 8.942 -5.474 1.00 0.00 H new ATOM 0 HG SER A 81 5.328 9.355 -6.157 1.00 0.00 H new ATOM 1258 N ASP A 82 1.313 10.573 -3.471 1.00 0.00 N ATOM 1259 CA ASP A 82 0.397 11.720 -3.539 1.00 0.00 C ATOM 1260 C ASP A 82 -0.860 11.396 -2.747 1.00 0.00 C ATOM 1261 O ASP A 82 -1.328 10.254 -2.773 1.00 0.00 O ATOM 1262 CB ASP A 82 0.027 12.053 -4.992 1.00 0.00 C ATOM 1263 CG ASP A 82 -0.862 13.298 -5.129 1.00 0.00 C ATOM 1264 OD1 ASP A 82 -0.946 14.114 -4.180 1.00 0.00 O ATOM 1265 OD2 ASP A 82 -1.516 13.441 -6.182 1.00 0.00 O ATOM 0 H ASP A 82 0.830 9.676 -3.420 1.00 0.00 H new ATOM 0 HA ASP A 82 0.895 12.591 -3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.941 12.205 -5.566 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.488 11.199 -5.432 1.00 0.00 H new ATOM 1270 N GLU A 83 -1.407 12.369 -2.025 1.00 0.00 N ATOM 1271 CA GLU A 83 -2.557 12.192 -1.149 1.00 0.00 C ATOM 1272 C GLU A 83 -3.789 11.762 -1.937 1.00 0.00 C ATOM 1273 O GLU A 83 -4.593 10.976 -1.446 1.00 0.00 O ATOM 1274 CB GLU A 83 -2.822 13.500 -0.396 1.00 0.00 C ATOM 1275 CG GLU A 83 -4.000 13.358 0.581 1.00 0.00 C ATOM 1276 CD GLU A 83 -3.881 14.370 1.714 1.00 0.00 C ATOM 1277 OE1 GLU A 83 -4.155 15.575 1.500 1.00 0.00 O ATOM 1278 OE2 GLU A 83 -3.432 13.954 2.805 1.00 0.00 O ATOM 0 H GLU A 83 -1.053 13.326 -2.034 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.338 11.400 -0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.927 13.794 0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.034 14.296 -1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.940 13.507 0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.021 12.348 0.989 1.00 0.00 H new ATOM 1285 N GLN A 84 -3.942 12.205 -3.183 1.00 0.00 N ATOM 1286 CA GLN A 84 -5.094 11.944 -3.988 1.00 0.00 C ATOM 1287 C GLN A 84 -5.340 10.451 -4.112 1.00 0.00 C ATOM 1288 O GLN A 84 -6.493 10.055 -4.255 1.00 0.00 O ATOM 1289 CB GLN A 84 -4.852 12.715 -5.294 1.00 0.00 C ATOM 1290 CG GLN A 84 -5.333 12.074 -6.577 1.00 0.00 C ATOM 1291 CD GLN A 84 -6.561 12.668 -7.244 1.00 0.00 C ATOM 1292 OE1 GLN A 84 -6.480 13.108 -8.387 1.00 0.00 O ATOM 1293 NE2 GLN A 84 -7.721 12.669 -6.613 1.00 0.00 N ATOM 0 H GLN A 84 -3.238 12.770 -3.658 1.00 0.00 H new ATOM 0 HA GLN A 84 -6.032 12.294 -3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.331 13.690 -5.204 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.781 12.893 -5.387 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.513 12.104 -7.295 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -5.538 11.023 -6.371 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.785 12.303 -5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.553 13.036 -7.075 1.00 0.00 H new ATOM 1302 N ASN A 85 -4.299 9.627 -4.064 1.00 0.00 N ATOM 1303 CA ASN A 85 -4.469 8.210 -4.255 1.00 0.00 C ATOM 1304 C ASN A 85 -5.327 7.624 -3.133 1.00 0.00 C ATOM 1305 O ASN A 85 -6.157 6.758 -3.396 1.00 0.00 O ATOM 1306 CB ASN A 85 -3.101 7.536 -4.346 1.00 0.00 C ATOM 1307 CG ASN A 85 -2.318 8.008 -5.562 1.00 0.00 C ATOM 1308 OD1 ASN A 85 -2.842 8.046 -6.670 1.00 0.00 O ATOM 1309 ND2 ASN A 85 -1.081 8.427 -5.390 1.00 0.00 N ATOM 0 H ASN A 85 -3.338 9.923 -3.895 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.994 8.025 -5.192 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.531 7.748 -3.442 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.231 6.455 -4.395 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.550 8.787 -6.183 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -0.654 8.391 -4.464 1.00 0.00 H new ATOM 1316 N VAL A 86 -5.204 8.111 -1.890 1.00 0.00 N ATOM 1317 CA VAL A 86 -6.073 7.648 -0.810 1.00 0.00 C ATOM 1318 C VAL A 86 -7.460 8.299 -0.920 1.00 0.00 C ATOM 1319 O VAL A 86 -8.459 7.650 -0.615 1.00 0.00 O ATOM 1320 CB VAL A 86 -5.377 7.823 0.554 1.00 0.00 C ATOM 1321 CG1 VAL A 86 -5.246 9.272 1.029 1.00 0.00 C ATOM 1322 CG2 VAL A 86 -6.041 6.984 1.649 1.00 0.00 C ATOM 0 H VAL A 86 -4.520 8.815 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.253 6.577 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.364 7.462 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.744 9.294 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.663 9.841 0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.237 9.715 1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.518 7.138 2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.083 7.286 1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.996 5.929 1.377 1.00 0.00 H new ATOM 1332 N LEU A 87 -7.556 9.534 -1.430 1.00 0.00 N ATOM 1333 CA LEU A 87 -8.828 10.227 -1.657 1.00 0.00 C ATOM 1334 C LEU A 87 -9.665 9.452 -2.659 1.00 0.00 C ATOM 1335 O LEU A 87 -10.872 9.282 -2.478 1.00 0.00 O ATOM 1336 CB LEU A 87 -8.618 11.656 -2.186 1.00 0.00 C ATOM 1337 CG LEU A 87 -7.687 12.532 -1.339 1.00 0.00 C ATOM 1338 CD1 LEU A 87 -7.389 13.838 -2.079 1.00 0.00 C ATOM 1339 CD2 LEU A 87 -8.260 12.797 0.054 1.00 0.00 C ATOM 0 H LEU A 87 -6.741 10.086 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.340 10.288 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.216 11.597 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.589 12.147 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.752 11.991 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.727 14.457 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.907 13.615 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.321 14.374 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.568 13.421 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.218 13.309 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.403 11.850 0.575 1.00 0.00 H new ATOM 1351 N ALA A 88 -9.014 8.947 -3.701 1.00 0.00 N ATOM 1352 CA ALA A 88 -9.649 8.140 -4.714 1.00 0.00 C ATOM 1353 C ALA A 88 -10.133 6.822 -4.109 1.00 0.00 C ATOM 1354 O ALA A 88 -11.212 6.351 -4.461 1.00 0.00 O ATOM 1355 CB ALA A 88 -8.667 7.899 -5.866 1.00 0.00 C ATOM 0 H ALA A 88 -8.017 9.094 -3.860 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.520 8.664 -5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -9.147 7.289 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.370 8.855 -6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.785 7.381 -5.490 1.00 0.00 H new ATOM 1361 N LEU A 89 -9.385 6.240 -3.170 1.00 0.00 N ATOM 1362 CA LEU A 89 -9.776 5.016 -2.486 1.00 0.00 C ATOM 1363 C LEU A 89 -10.994 5.245 -1.604 1.00 0.00 C ATOM 1364 O LEU A 89 -11.785 4.315 -1.448 1.00 0.00 O ATOM 1365 CB LEU A 89 -8.603 4.466 -1.656 1.00 0.00 C ATOM 1366 CG LEU A 89 -7.785 3.356 -2.327 1.00 0.00 C ATOM 1367 CD1 LEU A 89 -8.469 2.015 -2.092 1.00 0.00 C ATOM 1368 CD2 LEU A 89 -7.509 3.577 -3.816 1.00 0.00 C ATOM 0 H LEU A 89 -8.485 6.611 -2.864 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.044 4.278 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.933 5.291 -1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.995 4.086 -0.713 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.801 3.371 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.890 1.223 -2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.535 1.823 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.472 2.038 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.925 2.743 -4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.454 3.642 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.951 4.504 -3.949 1.00 0.00 H new ATOM 1380 N ARG A 90 -11.195 6.450 -1.052 1.00 0.00 N ATOM 1381 CA ARG A 90 -12.412 6.737 -0.307 1.00 0.00 C ATOM 1382 C ARG A 90 -13.623 6.584 -1.217 1.00 0.00 C ATOM 1383 O ARG A 90 -14.595 5.967 -0.802 1.00 0.00 O ATOM 1384 CB ARG A 90 -12.424 8.148 0.275 1.00 0.00 C ATOM 1385 CG ARG A 90 -11.333 8.502 1.270 1.00 0.00 C ATOM 1386 CD ARG A 90 -11.411 9.983 1.626 1.00 0.00 C ATOM 1387 NE ARG A 90 -12.520 10.270 2.550 1.00 0.00 N ATOM 1388 CZ ARG A 90 -12.773 11.457 3.103 1.00 0.00 C ATOM 1389 NH1 ARG A 90 -12.071 12.523 2.743 1.00 0.00 N ATOM 1390 NH2 ARG A 90 -13.720 11.554 4.024 1.00 0.00 N ATOM 0 H ARG A 90 -10.536 7.227 -1.110 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.449 6.026 0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.367 8.855 -0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.387 8.304 0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.441 7.897 2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.355 8.272 0.847 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.471 10.297 2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.537 10.569 0.715 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.145 9.499 2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.336 12.436 2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.267 13.430 3.167 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.247 10.726 4.303 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.923 12.456 4.454 1.00 0.00 H new ATOM 1404 N THR A 91 -13.564 7.091 -2.451 1.00 0.00 N ATOM 1405 CA THR A 91 -14.634 6.941 -3.431 1.00 0.00 C ATOM 1406 C THR A 91 -15.001 5.460 -3.588 1.00 0.00 C ATOM 1407 O THR A 91 -16.169 5.087 -3.503 1.00 0.00 O ATOM 1408 CB THR A 91 -14.201 7.596 -4.751 1.00 0.00 C ATOM 1409 OG1 THR A 91 -13.878 8.958 -4.530 1.00 0.00 O ATOM 1410 CG2 THR A 91 -15.256 7.455 -5.843 1.00 0.00 C ATOM 0 H THR A 91 -12.764 7.621 -2.797 1.00 0.00 H new ATOM 0 HA THR A 91 -15.538 7.449 -3.093 1.00 0.00 H new ATOM 0 HB THR A 91 -13.315 7.071 -5.107 1.00 0.00 H new ATOM 0 HG1 THR A 91 -13.601 9.370 -5.375 1.00 0.00 H new ATOM 0 HG21 THR A 91 -14.902 7.934 -6.755 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.440 6.398 -6.036 1.00 0.00 H new ATOM 0 HG23 THR A 91 -16.181 7.931 -5.519 1.00 0.00 H new ATOM 1418 N ILE A 92 -14.007 4.593 -3.778 1.00 0.00 N ATOM 1419 CA ILE A 92 -14.222 3.162 -3.928 1.00 0.00 C ATOM 1420 C ILE A 92 -14.797 2.568 -2.634 1.00 0.00 C ATOM 1421 O ILE A 92 -15.604 1.647 -2.687 1.00 0.00 O ATOM 1422 CB ILE A 92 -12.906 2.463 -4.318 1.00 0.00 C ATOM 1423 CG1 ILE A 92 -12.157 3.145 -5.485 1.00 0.00 C ATOM 1424 CG2 ILE A 92 -13.210 1.019 -4.723 1.00 0.00 C ATOM 1425 CD1 ILE A 92 -10.731 2.611 -5.629 1.00 0.00 C ATOM 0 H ILE A 92 -13.027 4.869 -3.832 1.00 0.00 H new ATOM 0 HA ILE A 92 -14.946 2.997 -4.726 1.00 0.00 H new ATOM 0 HB ILE A 92 -12.258 2.518 -3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -12.703 2.980 -6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -12.128 4.222 -5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -12.284 0.516 -5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -13.670 0.495 -3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -13.893 1.015 -5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.236 3.114 -6.460 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -10.177 2.799 -4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -10.762 1.538 -5.821 1.00 0.00 H new ATOM 1437 N GLN A 93 -14.402 3.084 -1.472 1.00 0.00 N ATOM 1438 CA GLN A 93 -14.914 2.646 -0.187 1.00 0.00 C ATOM 1439 C GLN A 93 -16.394 3.015 -0.029 1.00 0.00 C ATOM 1440 O GLN A 93 -17.136 2.218 0.543 1.00 0.00 O ATOM 1441 CB GLN A 93 -14.018 3.238 0.908 1.00 0.00 C ATOM 1442 CG GLN A 93 -14.217 2.661 2.314 1.00 0.00 C ATOM 1443 CD GLN A 93 -13.774 1.226 2.571 1.00 0.00 C ATOM 1444 OE1 GLN A 93 -13.959 0.731 3.678 1.00 0.00 O ATOM 1445 NE2 GLN A 93 -13.113 0.551 1.650 1.00 0.00 N ATOM 0 H GLN A 93 -13.708 3.828 -1.402 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.881 1.559 -0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.977 3.091 0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -14.189 4.314 0.949 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -13.687 3.304 3.016 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -15.278 2.731 2.556 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -12.959 0.962 0.729 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -12.756 -0.382 1.859 1.00 0.00 H new ATOM 1454 N VAL A 94 -16.862 4.157 -0.550 1.00 0.00 N ATOM 1455 CA VAL A 94 -18.305 4.416 -0.629 1.00 0.00 C ATOM 1456 C VAL A 94 -18.941 3.389 -1.568 1.00 0.00 C ATOM 1457 O VAL A 94 -20.005 2.858 -1.269 1.00 0.00 O ATOM 1458 CB VAL A 94 -18.690 5.887 -0.961 1.00 0.00 C ATOM 1459 CG1 VAL A 94 -17.549 6.888 -0.766 1.00 0.00 C ATOM 1460 CG2 VAL A 94 -19.293 6.148 -2.355 1.00 0.00 C ATOM 0 H VAL A 94 -16.274 4.905 -0.917 1.00 0.00 H new ATOM 0 HA VAL A 94 -18.719 4.290 0.371 1.00 0.00 H new ATOM 0 HB VAL A 94 -19.477 6.046 -0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -17.897 7.890 -1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.221 6.868 0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.715 6.620 -1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -19.517 7.209 -2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -18.579 5.850 -3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -20.210 5.570 -2.469 1.00 0.00 H new ATOM 1470 N ARG A 95 -18.270 3.045 -2.670 1.00 0.00 N ATOM 1471 CA ARG A 95 -18.763 2.083 -3.656 1.00 0.00 C ATOM 1472 C ARG A 95 -18.628 0.634 -3.173 1.00 0.00 C ATOM 1473 O ARG A 95 -18.847 -0.291 -3.957 1.00 0.00 O ATOM 1474 CB ARG A 95 -18.020 2.300 -4.987 1.00 0.00 C ATOM 1475 CG ARG A 95 -18.279 3.689 -5.583 1.00 0.00 C ATOM 1476 CD ARG A 95 -18.842 3.627 -7.007 1.00 0.00 C ATOM 1477 NE ARG A 95 -19.347 4.951 -7.379 1.00 0.00 N ATOM 1478 CZ ARG A 95 -18.601 6.008 -7.700 1.00 0.00 C ATOM 1479 NH1 ARG A 95 -17.331 5.859 -8.078 1.00 0.00 N ATOM 1480 NH2 ARG A 95 -19.135 7.221 -7.626 1.00 0.00 N ATOM 0 H ARG A 95 -17.356 3.433 -2.905 1.00 0.00 H new ATOM 0 HA ARG A 95 -19.829 2.255 -3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -16.950 2.170 -4.827 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -18.331 1.538 -5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -18.977 4.229 -4.944 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -17.348 4.256 -5.589 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -18.067 3.310 -7.705 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -19.642 2.889 -7.063 1.00 0.00 H new ATOM 0 HE ARG A 95 -20.359 5.075 -7.394 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -16.919 4.927 -8.124 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -16.772 6.677 -8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -20.103 7.334 -7.327 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -18.577 8.040 -7.868 1.00 0.00 H new ATOM 1494 N SER A 96 -18.258 0.412 -1.914 1.00 0.00 N ATOM 1495 CA SER A 96 -18.302 -0.892 -1.296 1.00 0.00 C ATOM 1496 C SER A 96 -19.768 -1.275 -1.074 1.00 0.00 C ATOM 1497 O SER A 96 -20.596 -0.431 -0.705 1.00 0.00 O ATOM 1498 CB SER A 96 -17.523 -0.816 0.014 1.00 0.00 C ATOM 1499 OG SER A 96 -17.208 -2.100 0.497 1.00 0.00 O ATOM 0 H SER A 96 -17.917 1.147 -1.295 1.00 0.00 H new ATOM 0 HA SER A 96 -17.848 -1.659 -1.924 1.00 0.00 H new ATOM 0 HB2 SER A 96 -16.606 -0.247 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.111 -0.279 0.759 1.00 0.00 H new ATOM 0 HG SER A 96 -16.708 -2.020 1.336 1.00 0.00 H new ATOM 1505 N GLY A 97 -20.065 -2.559 -1.260 1.00 0.00 N ATOM 1506 CA GLY A 97 -21.360 -3.167 -1.001 1.00 0.00 C ATOM 1507 C GLY A 97 -21.613 -3.361 0.498 1.00 0.00 C ATOM 1508 O GLY A 97 -20.927 -2.764 1.340 1.00 0.00 O ATOM 0 H GLY A 97 -19.379 -3.228 -1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -22.146 -2.541 -1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -21.415 -4.131 -1.506 1.00 0.00 H new ATOM 1512 N PRO A 98 -22.601 -4.191 0.859 1.00 0.00 N ATOM 1513 CA PRO A 98 -22.963 -4.457 2.243 1.00 0.00 C ATOM 1514 C PRO A 98 -21.841 -5.206 2.957 1.00 0.00 C ATOM 1515 O PRO A 98 -21.027 -5.881 2.313 1.00 0.00 O ATOM 1516 CB PRO A 98 -24.251 -5.277 2.172 1.00 0.00 C ATOM 1517 CG PRO A 98 -24.139 -5.997 0.831 1.00 0.00 C ATOM 1518 CD PRO A 98 -23.386 -5.008 -0.047 1.00 0.00 C ATOM 0 HA PRO A 98 -23.116 -3.543 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -24.325 -5.981 3.001 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -25.135 -4.641 2.214 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -23.600 -6.939 0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -25.121 -6.232 0.419 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -22.745 -5.527 -0.760 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -24.077 -4.396 -0.627 1.00 0.00 H new ATOM 1526 N SER A 99 -21.832 -5.081 4.281 1.00 0.00 N ATOM 1527 CA SER A 99 -20.866 -5.538 5.273 1.00 0.00 C ATOM 1528 C SER A 99 -20.867 -4.487 6.378 1.00 0.00 C ATOM 1529 O SER A 99 -20.744 -3.289 6.099 1.00 0.00 O ATOM 1530 CB SER A 99 -19.451 -5.754 4.713 1.00 0.00 C ATOM 1531 OG SER A 99 -18.540 -6.107 5.730 1.00 0.00 O ATOM 0 H SER A 99 -22.602 -4.594 4.741 1.00 0.00 H new ATOM 0 HA SER A 99 -21.160 -6.522 5.638 1.00 0.00 H new ATOM 0 HB2 SER A 99 -19.474 -6.538 3.956 1.00 0.00 H new ATOM 0 HB3 SER A 99 -19.111 -4.844 4.219 1.00 0.00 H new ATOM 0 HG SER A 99 -17.650 -6.239 5.341 1.00 0.00 H new ATOM 1537 N SER A 100 -20.979 -4.931 7.623 1.00 0.00 N ATOM 1538 CA SER A 100 -20.745 -4.144 8.820 1.00 0.00 C ATOM 1539 C SER A 100 -20.173 -5.106 9.865 1.00 0.00 C ATOM 1540 O SER A 100 -20.377 -6.326 9.757 1.00 0.00 O ATOM 1541 CB SER A 100 -22.069 -3.501 9.262 1.00 0.00 C ATOM 1542 OG SER A 100 -21.857 -2.371 10.082 1.00 0.00 O ATOM 0 H SER A 100 -21.247 -5.893 7.832 1.00 0.00 H new ATOM 0 HA SER A 100 -20.040 -3.328 8.662 1.00 0.00 H new ATOM 0 HB2 SER A 100 -22.642 -3.209 8.382 1.00 0.00 H new ATOM 0 HB3 SER A 100 -22.667 -4.235 9.803 1.00 0.00 H new ATOM 0 HG SER A 100 -22.721 -1.988 10.342 1.00 0.00 H new ATOM 1548 N GLY A 101 -19.471 -4.574 10.857 1.00 0.00 N ATOM 1549 CA GLY A 101 -18.718 -5.299 11.866 1.00 0.00 C ATOM 1550 C GLY A 101 -17.625 -4.377 12.369 1.00 0.00 C ATOM 1551 O GLY A 101 -16.545 -4.881 12.726 1.00 0.00 O ATOM 0 H GLY A 101 -19.410 -3.564 10.984 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -19.369 -5.604 12.685 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -18.289 -6.208 11.445 1.00 0.00 H new TER 1555 GLY A 101