USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 447 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 30 TYR OH : rot -99:sc= -2.12! USER MOD Set 1.2: A 42 ASN : amide:sc= -12.6! C(o=-15!,f=-14!) USER MOD Set 2.1: A 10 SER OG : rot 180:sc= 0.00211 USER MOD Set 2.2: A 20 LYS NZ :NH3+ -125:sc= 0.00316 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -174:sc= 0 (180deg=-0.0385) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0.752 K(o=0.75,f=-3.8!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 37:sc= 0.0595 USER MOD Single : A 39 GLN : amide:sc= 0.548 K(o=0.55,f=-0.14) USER MOD Single : A 40 TYR OH : rot -56:sc= 1.16 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 55 SER OG : rot 27:sc= 0.0948 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.603 -2.971 8.989 1.00 0.00 N ATOM 2 CA GLY A 1 12.932 -3.894 10.059 1.00 0.00 C ATOM 3 C GLY A 1 12.427 -5.298 9.790 1.00 0.00 C ATOM 4 O GLY A 1 13.126 -6.277 10.050 1.00 0.00 O ATOM 0 H1 GLY A 1 13.056 -2.053 9.171 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.945 -3.352 8.084 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.572 -2.846 8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.013 -3.920 10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.504 -3.530 10.993 1.00 0.00 H new ATOM 8 N SER A 2 11.208 -5.397 9.269 1.00 0.00 N ATOM 9 CA SER A 2 10.607 -6.691 8.969 1.00 0.00 C ATOM 10 C SER A 2 10.730 -7.017 7.484 1.00 0.00 C ATOM 11 O SER A 2 11.166 -8.105 7.110 1.00 0.00 O ATOM 12 CB SER A 2 9.135 -6.702 9.385 1.00 0.00 C ATOM 13 OG SER A 2 8.697 -8.017 9.678 1.00 0.00 O ATOM 0 H SER A 2 10.617 -4.596 9.046 1.00 0.00 H new ATOM 0 HA SER A 2 11.143 -7.452 9.535 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.996 -6.066 10.259 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.525 -6.282 8.585 1.00 0.00 H new ATOM 0 HG SER A 2 7.754 -7.996 9.943 1.00 0.00 H new ATOM 19 N SER A 3 10.343 -6.064 6.642 1.00 0.00 N ATOM 20 CA SER A 3 10.406 -6.250 5.197 1.00 0.00 C ATOM 21 C SER A 3 11.214 -5.135 4.540 1.00 0.00 C ATOM 22 O SER A 3 11.287 -4.020 5.055 1.00 0.00 O ATOM 23 CB SER A 3 8.996 -6.289 4.605 1.00 0.00 C ATOM 24 OG SER A 3 8.325 -5.056 4.803 1.00 0.00 O ATOM 0 H SER A 3 9.983 -5.156 6.935 1.00 0.00 H new ATOM 0 HA SER A 3 10.903 -7.200 4.999 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.052 -6.509 3.539 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.426 -7.095 5.067 1.00 0.00 H new ATOM 0 HG SER A 3 7.427 -5.106 4.414 1.00 0.00 H new ATOM 30 N GLY A 4 11.821 -5.445 3.399 1.00 0.00 N ATOM 31 CA GLY A 4 12.617 -4.461 2.690 1.00 0.00 C ATOM 32 C GLY A 4 12.464 -4.565 1.185 1.00 0.00 C ATOM 33 O GLY A 4 13.306 -5.154 0.508 1.00 0.00 O ATOM 0 H GLY A 4 11.776 -6.361 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.326 -3.462 3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.667 -4.588 2.955 1.00 0.00 H new ATOM 37 N SER A 5 11.384 -3.994 0.661 1.00 0.00 N ATOM 38 CA SER A 5 11.120 -4.031 -0.773 1.00 0.00 C ATOM 39 C SER A 5 12.359 -3.623 -1.564 1.00 0.00 C ATOM 40 O SER A 5 13.238 -2.931 -1.049 1.00 0.00 O ATOM 41 CB SER A 5 9.952 -3.107 -1.121 1.00 0.00 C ATOM 42 OG SER A 5 8.744 -3.571 -0.543 1.00 0.00 O ATOM 0 H SER A 5 10.678 -3.501 1.207 1.00 0.00 H new ATOM 0 HA SER A 5 10.858 -5.054 -1.043 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.164 -2.098 -0.767 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.841 -3.048 -2.204 1.00 0.00 H new ATOM 0 HG SER A 5 8.013 -2.962 -0.779 1.00 0.00 H new ATOM 48 N SER A 6 12.422 -4.057 -2.819 1.00 0.00 N ATOM 49 CA SER A 6 13.554 -3.741 -3.681 1.00 0.00 C ATOM 50 C SER A 6 13.107 -2.920 -4.887 1.00 0.00 C ATOM 51 O SER A 6 12.404 -3.419 -5.765 1.00 0.00 O ATOM 52 CB SER A 6 14.239 -5.026 -4.151 1.00 0.00 C ATOM 53 OG SER A 6 14.645 -5.819 -3.049 1.00 0.00 O ATOM 0 H SER A 6 11.702 -4.628 -3.261 1.00 0.00 H new ATOM 0 HA SER A 6 14.264 -3.149 -3.103 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.557 -5.596 -4.782 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.106 -4.777 -4.763 1.00 0.00 H new ATOM 0 HG SER A 6 15.078 -6.635 -3.375 1.00 0.00 H new ATOM 59 N GLY A 7 13.519 -1.657 -4.921 1.00 0.00 N ATOM 60 CA GLY A 7 13.152 -0.786 -6.022 1.00 0.00 C ATOM 61 C GLY A 7 12.760 0.603 -5.557 1.00 0.00 C ATOM 62 O GLY A 7 12.583 0.838 -4.361 1.00 0.00 O ATOM 0 H GLY A 7 14.101 -1.221 -4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.989 -0.711 -6.716 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.322 -1.230 -6.571 1.00 0.00 H new ATOM 66 N LEU A 8 12.626 1.525 -6.503 1.00 0.00 N ATOM 67 CA LEU A 8 12.253 2.899 -6.185 1.00 0.00 C ATOM 68 C LEU A 8 10.739 3.041 -6.068 1.00 0.00 C ATOM 69 O LEU A 8 9.986 2.260 -6.650 1.00 0.00 O ATOM 70 CB LEU A 8 12.785 3.854 -7.255 1.00 0.00 C ATOM 71 CG LEU A 8 12.034 3.855 -8.587 1.00 0.00 C ATOM 72 CD1 LEU A 8 10.883 4.848 -8.550 1.00 0.00 C ATOM 73 CD2 LEU A 8 12.981 4.175 -9.734 1.00 0.00 C ATOM 0 H LEU A 8 12.770 1.347 -7.497 1.00 0.00 H new ATOM 0 HA LEU A 8 12.698 3.156 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.769 4.866 -6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.828 3.605 -7.449 1.00 0.00 H new ATOM 0 HG LEU A 8 11.622 2.859 -8.750 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.360 4.835 -9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.191 4.573 -7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.272 5.849 -8.363 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.429 4.171 -10.674 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.423 5.159 -9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.771 3.425 -9.774 1.00 0.00 H new ATOM 85 N ASP A 9 10.300 4.042 -5.314 1.00 0.00 N ATOM 86 CA ASP A 9 8.875 4.288 -5.123 1.00 0.00 C ATOM 87 C ASP A 9 8.569 5.781 -5.183 1.00 0.00 C ATOM 88 O ASP A 9 9.441 6.615 -4.937 1.00 0.00 O ATOM 89 CB ASP A 9 8.411 3.713 -3.784 1.00 0.00 C ATOM 90 CG ASP A 9 9.110 4.359 -2.604 1.00 0.00 C ATOM 91 OD1 ASP A 9 9.518 5.532 -2.726 1.00 0.00 O ATOM 92 OD2 ASP A 9 9.248 3.690 -1.558 1.00 0.00 O ATOM 0 H ASP A 9 10.910 4.697 -4.825 1.00 0.00 H new ATOM 0 HA ASP A 9 8.335 3.792 -5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.334 3.852 -3.686 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.596 2.639 -3.769 1.00 0.00 H new ATOM 97 N SER A 10 7.325 6.112 -5.514 1.00 0.00 N ATOM 98 CA SER A 10 6.904 7.505 -5.611 1.00 0.00 C ATOM 99 C SER A 10 5.467 7.674 -5.129 1.00 0.00 C ATOM 100 O SER A 10 4.726 6.699 -5.002 1.00 0.00 O ATOM 101 CB SER A 10 7.032 7.999 -7.053 1.00 0.00 C ATOM 102 OG SER A 10 7.236 9.400 -7.097 1.00 0.00 O ATOM 0 H SER A 10 6.591 5.434 -5.720 1.00 0.00 H new ATOM 0 HA SER A 10 7.555 8.101 -4.971 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.864 7.492 -7.542 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.131 7.742 -7.610 1.00 0.00 H new ATOM 0 HG SER A 10 7.316 9.690 -8.030 1.00 0.00 H new ATOM 108 N GLU A 11 5.080 8.917 -4.863 1.00 0.00 N ATOM 109 CA GLU A 11 3.732 9.214 -4.394 1.00 0.00 C ATOM 110 C GLU A 11 2.699 8.375 -5.142 1.00 0.00 C ATOM 111 O GLU A 11 1.798 7.793 -4.536 1.00 0.00 O ATOM 112 CB GLU A 11 3.422 10.702 -4.571 1.00 0.00 C ATOM 113 CG GLU A 11 3.841 11.254 -5.923 1.00 0.00 C ATOM 114 CD GLU A 11 3.611 12.748 -6.040 1.00 0.00 C ATOM 115 OE1 GLU A 11 2.491 13.149 -6.419 1.00 0.00 O ATOM 116 OE2 GLU A 11 4.553 13.517 -5.752 1.00 0.00 O ATOM 0 H GLU A 11 5.681 9.735 -4.964 1.00 0.00 H new ATOM 0 HA GLU A 11 3.680 8.964 -3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.352 10.860 -4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.926 11.265 -3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.897 11.039 -6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.285 10.742 -6.708 1.00 0.00 H new ATOM 123 N LEU A 12 2.836 8.319 -6.462 1.00 0.00 N ATOM 124 CA LEU A 12 1.915 7.552 -7.294 1.00 0.00 C ATOM 125 C LEU A 12 0.493 8.089 -7.170 1.00 0.00 C ATOM 126 O LEU A 12 -0.466 7.321 -7.103 1.00 0.00 O ATOM 127 CB LEU A 12 1.951 6.074 -6.902 1.00 0.00 C ATOM 128 CG LEU A 12 3.216 5.308 -7.289 1.00 0.00 C ATOM 129 CD1 LEU A 12 3.464 4.163 -6.319 1.00 0.00 C ATOM 130 CD2 LEU A 12 3.109 4.787 -8.715 1.00 0.00 C ATOM 0 H LEU A 12 3.575 8.795 -6.979 1.00 0.00 H new ATOM 0 HA LEU A 12 2.232 7.653 -8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.823 6.002 -5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.095 5.577 -7.358 1.00 0.00 H new ATOM 0 HG LEU A 12 4.063 5.992 -7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.369 3.629 -6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.585 4.560 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.616 3.478 -6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.018 4.244 -8.973 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.252 4.118 -8.795 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.980 5.625 -9.400 1.00 0.00 H new ATOM 142 N GLU A 13 0.365 9.412 -7.141 1.00 0.00 N ATOM 143 CA GLU A 13 -0.941 10.050 -7.026 1.00 0.00 C ATOM 144 C GLU A 13 -1.603 9.698 -5.697 1.00 0.00 C ATOM 145 O GLU A 13 -2.741 9.228 -5.662 1.00 0.00 O ATOM 146 CB GLU A 13 -1.844 9.627 -8.186 1.00 0.00 C ATOM 147 CG GLU A 13 -1.731 10.527 -9.405 1.00 0.00 C ATOM 148 CD GLU A 13 -2.318 9.895 -10.653 1.00 0.00 C ATOM 149 OE1 GLU A 13 -3.556 9.932 -10.809 1.00 0.00 O ATOM 150 OE2 GLU A 13 -1.539 9.365 -11.472 1.00 0.00 O ATOM 0 H GLU A 13 1.149 10.062 -7.196 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.794 11.129 -7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.596 8.606 -8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.879 9.619 -7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.241 11.469 -9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.682 10.764 -9.581 1.00 0.00 H new ATOM 157 N LEU A 14 -0.883 9.928 -4.604 1.00 0.00 N ATOM 158 CA LEU A 14 -1.399 9.635 -3.272 1.00 0.00 C ATOM 159 C LEU A 14 -2.799 10.213 -3.091 1.00 0.00 C ATOM 160 O LEU A 14 -3.174 11.205 -3.717 1.00 0.00 O ATOM 161 CB LEU A 14 -0.460 10.200 -2.204 1.00 0.00 C ATOM 162 CG LEU A 14 0.993 9.731 -2.273 1.00 0.00 C ATOM 163 CD1 LEU A 14 1.929 10.814 -1.757 1.00 0.00 C ATOM 164 CD2 LEU A 14 1.176 8.444 -1.481 1.00 0.00 C ATOM 0 H LEU A 14 0.060 10.317 -4.615 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.456 8.552 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.474 11.288 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.859 9.940 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 14 1.241 9.531 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.959 10.462 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.818 11.711 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.681 11.046 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.216 8.125 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.909 8.617 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.533 7.667 -1.896 1.00 0.00 H new ATOM 176 N PRO A 15 -3.592 9.581 -2.213 1.00 0.00 N ATOM 177 CA PRO A 15 -4.962 10.016 -1.927 1.00 0.00 C ATOM 178 C PRO A 15 -5.004 11.335 -1.164 1.00 0.00 C ATOM 179 O PRO A 15 -5.030 12.409 -1.764 1.00 0.00 O ATOM 180 CB PRO A 15 -5.522 8.881 -1.065 1.00 0.00 C ATOM 181 CG PRO A 15 -4.325 8.262 -0.430 1.00 0.00 C ATOM 182 CD PRO A 15 -3.211 8.392 -1.431 1.00 0.00 C ATOM 0 HA PRO A 15 -5.531 10.197 -2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.217 9.259 -0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.068 8.157 -1.670 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.073 8.767 0.502 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.510 7.216 -0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.246 8.525 -0.943 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.131 7.506 -2.060 1.00 0.00 H new ATOM 190 N ALA A 16 -5.009 11.246 0.162 1.00 0.00 N ATOM 191 CA ALA A 16 -5.046 12.434 1.007 1.00 0.00 C ATOM 192 C ALA A 16 -4.261 12.214 2.296 1.00 0.00 C ATOM 193 O ALA A 16 -4.381 11.172 2.938 1.00 0.00 O ATOM 194 CB ALA A 16 -6.485 12.814 1.322 1.00 0.00 C ATOM 0 H ALA A 16 -4.988 10.364 0.674 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.577 13.253 0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.497 13.702 1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.018 13.021 0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.973 11.991 1.845 1.00 0.00 H new ATOM 200 N GLY A 17 -3.455 13.204 2.669 1.00 0.00 N ATOM 201 CA GLY A 17 -2.661 13.099 3.879 1.00 0.00 C ATOM 202 C GLY A 17 -1.365 12.345 3.659 1.00 0.00 C ATOM 203 O GLY A 17 -0.870 11.671 4.562 1.00 0.00 O ATOM 0 H GLY A 17 -3.338 14.077 2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.437 14.099 4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.244 12.595 4.650 1.00 0.00 H new ATOM 207 N TRP A 18 -0.815 12.458 2.455 1.00 0.00 N ATOM 208 CA TRP A 18 0.432 11.780 2.118 1.00 0.00 C ATOM 209 C TRP A 18 1.482 12.776 1.641 1.00 0.00 C ATOM 210 O TRP A 18 1.199 13.639 0.811 1.00 0.00 O ATOM 211 CB TRP A 18 0.187 10.723 1.040 1.00 0.00 C ATOM 212 CG TRP A 18 -0.640 9.567 1.518 1.00 0.00 C ATOM 213 CD1 TRP A 18 -1.986 9.402 1.359 1.00 0.00 C ATOM 214 CD2 TRP A 18 -0.174 8.418 2.233 1.00 0.00 C ATOM 215 NE1 TRP A 18 -2.385 8.219 1.933 1.00 0.00 N ATOM 216 CE2 TRP A 18 -1.292 7.596 2.475 1.00 0.00 C ATOM 217 CE3 TRP A 18 1.080 8.003 2.691 1.00 0.00 C ATOM 218 CZ2 TRP A 18 -1.192 6.386 3.156 1.00 0.00 C ATOM 219 CZ3 TRP A 18 1.177 6.801 3.366 1.00 0.00 C ATOM 220 CH2 TRP A 18 0.047 6.003 3.593 1.00 0.00 C ATOM 0 H TRP A 18 -1.212 13.012 1.696 1.00 0.00 H new ATOM 0 HA TRP A 18 0.805 11.291 3.018 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.311 11.190 0.190 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.147 10.350 0.682 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.641 10.099 0.856 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.340 7.862 1.952 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.957 8.610 2.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.062 5.771 3.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.140 6.471 3.725 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.156 5.068 4.123 1.00 0.00 H new ATOM 231 N GLU A 19 2.695 12.651 2.171 1.00 0.00 N ATOM 232 CA GLU A 19 3.787 13.543 1.798 1.00 0.00 C ATOM 233 C GLU A 19 5.071 12.758 1.552 1.00 0.00 C ATOM 234 O GLU A 19 5.607 12.120 2.459 1.00 0.00 O ATOM 235 CB GLU A 19 4.017 14.589 2.892 1.00 0.00 C ATOM 236 CG GLU A 19 4.810 15.796 2.422 1.00 0.00 C ATOM 237 CD GLU A 19 4.794 16.932 3.426 1.00 0.00 C ATOM 238 OE1 GLU A 19 5.486 16.819 4.460 1.00 0.00 O ATOM 239 OE2 GLU A 19 4.089 17.933 3.180 1.00 0.00 O ATOM 0 H GLU A 19 2.946 11.941 2.859 1.00 0.00 H new ATOM 0 HA GLU A 19 3.509 14.049 0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.052 14.924 3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.542 14.122 3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.841 15.497 2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.402 16.148 1.475 1.00 0.00 H new ATOM 246 N LYS A 20 5.561 12.807 0.317 1.00 0.00 N ATOM 247 CA LYS A 20 6.782 12.102 -0.051 1.00 0.00 C ATOM 248 C LYS A 20 8.013 12.833 0.476 1.00 0.00 C ATOM 249 O LYS A 20 8.313 13.949 0.050 1.00 0.00 O ATOM 250 CB LYS A 20 6.874 11.958 -1.572 1.00 0.00 C ATOM 251 CG LYS A 20 8.169 11.321 -2.045 1.00 0.00 C ATOM 252 CD LYS A 20 8.244 11.272 -3.562 1.00 0.00 C ATOM 253 CE LYS A 20 9.683 11.325 -4.051 1.00 0.00 C ATOM 254 NZ LYS A 20 9.816 10.807 -5.441 1.00 0.00 N ATOM 0 H LYS A 20 5.130 13.329 -0.446 1.00 0.00 H new ATOM 0 HA LYS A 20 6.749 11.111 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.034 11.358 -1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.775 12.943 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.017 11.885 -1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.247 10.311 -1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.770 10.359 -3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.685 12.108 -3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.043 12.353 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.315 10.740 -3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.525 10.046 -5.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.899 10.435 -5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.116 11.578 -6.071 1.00 0.00 H new ATOM 268 N ILE A 21 8.721 12.198 1.403 1.00 0.00 N ATOM 269 CA ILE A 21 9.920 12.788 1.985 1.00 0.00 C ATOM 270 C ILE A 21 11.170 12.021 1.565 1.00 0.00 C ATOM 271 O ILE A 21 11.299 10.829 1.840 1.00 0.00 O ATOM 272 CB ILE A 21 9.843 12.818 3.523 1.00 0.00 C ATOM 273 CG1 ILE A 21 8.915 13.942 3.987 1.00 0.00 C ATOM 274 CG2 ILE A 21 11.232 12.989 4.120 1.00 0.00 C ATOM 275 CD1 ILE A 21 7.448 13.636 3.789 1.00 0.00 C ATOM 0 H ILE A 21 8.485 11.275 1.767 1.00 0.00 H new ATOM 0 HA ILE A 21 9.981 13.810 1.612 1.00 0.00 H new ATOM 0 HB ILE A 21 9.435 11.869 3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.097 14.139 5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.164 14.854 3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 21 11.161 13.008 5.207 1.00 0.00 H new ATOM 0 HG22 ILE A 21 11.865 12.157 3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 21 11.667 13.925 3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.850 14.477 4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.251 13.468 2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.183 12.742 4.354 1.00 0.00 H new ATOM 287 N GLU A 22 12.087 12.715 0.899 1.00 0.00 N ATOM 288 CA GLU A 22 13.327 12.099 0.442 1.00 0.00 C ATOM 289 C GLU A 22 14.470 12.394 1.409 1.00 0.00 C ATOM 290 O GLU A 22 14.840 13.550 1.615 1.00 0.00 O ATOM 291 CB GLU A 22 13.686 12.602 -0.958 1.00 0.00 C ATOM 292 CG GLU A 22 12.534 12.528 -1.946 1.00 0.00 C ATOM 293 CD GLU A 22 12.606 13.609 -3.007 1.00 0.00 C ATOM 294 OE1 GLU A 22 13.412 13.463 -3.949 1.00 0.00 O ATOM 295 OE2 GLU A 22 11.854 14.600 -2.895 1.00 0.00 O ATOM 0 H GLU A 22 11.995 13.703 0.664 1.00 0.00 H new ATOM 0 HA GLU A 22 13.175 11.020 0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.027 13.635 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.521 12.016 -1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.536 11.550 -2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.591 12.616 -1.406 1.00 0.00 H new ATOM 302 N ASP A 23 15.024 11.341 2.000 1.00 0.00 N ATOM 303 CA ASP A 23 16.125 11.486 2.945 1.00 0.00 C ATOM 304 C ASP A 23 17.344 10.695 2.484 1.00 0.00 C ATOM 305 O ASP A 23 17.231 9.625 1.885 1.00 0.00 O ATOM 306 CB ASP A 23 15.695 11.019 4.337 1.00 0.00 C ATOM 307 CG ASP A 23 15.113 12.144 5.170 1.00 0.00 C ATOM 308 OD1 ASP A 23 14.185 12.824 4.684 1.00 0.00 O ATOM 309 OD2 ASP A 23 15.586 12.346 6.309 1.00 0.00 O ATOM 0 H ASP A 23 14.729 10.378 1.841 1.00 0.00 H new ATOM 0 HA ASP A 23 16.395 12.541 2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.956 10.224 4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.554 10.593 4.856 1.00 0.00 H new ATOM 314 N PRO A 24 18.540 11.231 2.768 1.00 0.00 N ATOM 315 CA PRO A 24 19.805 10.592 2.391 1.00 0.00 C ATOM 316 C PRO A 24 20.074 9.323 3.192 1.00 0.00 C ATOM 317 O PRO A 24 20.673 8.373 2.688 1.00 0.00 O ATOM 318 CB PRO A 24 20.852 11.660 2.713 1.00 0.00 C ATOM 319 CG PRO A 24 20.226 12.498 3.773 1.00 0.00 C ATOM 320 CD PRO A 24 18.751 12.503 3.480 1.00 0.00 C ATOM 0 HA PRO A 24 19.807 10.275 1.348 1.00 0.00 H new ATOM 0 HB2 PRO A 24 21.782 11.210 3.062 1.00 0.00 H new ATOM 0 HB3 PRO A 24 21.096 12.253 1.832 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.426 12.088 4.763 1.00 0.00 H new ATOM 0 HG3 PRO A 24 20.630 13.510 3.760 1.00 0.00 H new ATOM 0 HD2 PRO A 24 18.160 12.554 4.394 1.00 0.00 H new ATOM 0 HD3 PRO A 24 18.466 13.358 2.868 1.00 0.00 H new ATOM 328 N VAL A 25 19.628 9.313 4.444 1.00 0.00 N ATOM 329 CA VAL A 25 19.820 8.160 5.316 1.00 0.00 C ATOM 330 C VAL A 25 18.536 7.348 5.443 1.00 0.00 C ATOM 331 O VAL A 25 18.552 6.121 5.340 1.00 0.00 O ATOM 332 CB VAL A 25 20.285 8.589 6.720 1.00 0.00 C ATOM 333 CG1 VAL A 25 20.554 7.369 7.589 1.00 0.00 C ATOM 334 CG2 VAL A 25 21.521 9.470 6.625 1.00 0.00 C ATOM 0 H VAL A 25 19.131 10.091 4.878 1.00 0.00 H new ATOM 0 HA VAL A 25 20.593 7.542 4.859 1.00 0.00 H new ATOM 0 HB VAL A 25 19.489 9.169 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 25 20.882 7.691 8.577 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.641 6.781 7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 25 21.332 6.760 7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 25 21.836 9.764 7.626 1.00 0.00 H new ATOM 0 HG22 VAL A 25 22.325 8.917 6.139 1.00 0.00 H new ATOM 0 HG23 VAL A 25 21.289 10.361 6.041 1.00 0.00 H new ATOM 344 N TYR A 26 17.425 8.040 5.668 1.00 0.00 N ATOM 345 CA TYR A 26 16.131 7.384 5.812 1.00 0.00 C ATOM 346 C TYR A 26 15.576 6.969 4.453 1.00 0.00 C ATOM 347 O TYR A 26 14.848 5.984 4.341 1.00 0.00 O ATOM 348 CB TYR A 26 15.140 8.311 6.518 1.00 0.00 C ATOM 349 CG TYR A 26 15.584 8.731 7.902 1.00 0.00 C ATOM 350 CD1 TYR A 26 16.571 9.693 8.074 1.00 0.00 C ATOM 351 CD2 TYR A 26 15.015 8.165 9.036 1.00 0.00 C ATOM 352 CE1 TYR A 26 16.980 10.078 9.336 1.00 0.00 C ATOM 353 CE2 TYR A 26 15.416 8.546 10.302 1.00 0.00 C ATOM 354 CZ TYR A 26 16.399 9.502 10.447 1.00 0.00 C ATOM 355 OH TYR A 26 16.803 9.884 11.706 1.00 0.00 O ATOM 0 H TYR A 26 17.394 9.056 5.755 1.00 0.00 H new ATOM 0 HA TYR A 26 16.273 6.488 6.416 1.00 0.00 H new ATOM 0 HB2 TYR A 26 14.990 9.202 5.908 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.175 7.809 6.592 1.00 0.00 H new ATOM 0 HD1 TYR A 26 17.026 10.148 7.207 1.00 0.00 H new ATOM 0 HD2 TYR A 26 14.246 7.414 8.926 1.00 0.00 H new ATOM 0 HE1 TYR A 26 17.750 10.826 9.452 1.00 0.00 H new ATOM 0 HE2 TYR A 26 14.962 8.098 11.173 1.00 0.00 H new ATOM 0 HH TYR A 26 16.295 9.384 12.378 1.00 0.00 H new ATOM 365 N GLY A 27 15.928 7.730 3.420 1.00 0.00 N ATOM 366 CA GLY A 27 15.457 7.426 2.081 1.00 0.00 C ATOM 367 C GLY A 27 14.138 8.101 1.763 1.00 0.00 C ATOM 368 O GLY A 27 13.732 9.040 2.449 1.00 0.00 O ATOM 0 H GLY A 27 16.530 8.551 3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.207 7.741 1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.344 6.347 1.975 1.00 0.00 H new ATOM 372 N ILE A 28 13.467 7.623 0.720 1.00 0.00 N ATOM 373 CA ILE A 28 12.186 8.187 0.313 1.00 0.00 C ATOM 374 C ILE A 28 11.027 7.461 0.986 1.00 0.00 C ATOM 375 O ILE A 28 10.815 6.268 0.765 1.00 0.00 O ATOM 376 CB ILE A 28 12.002 8.120 -1.214 1.00 0.00 C ATOM 377 CG1 ILE A 28 13.125 8.884 -1.920 1.00 0.00 C ATOM 378 CG2 ILE A 28 10.644 8.681 -1.609 1.00 0.00 C ATOM 379 CD1 ILE A 28 12.945 8.973 -3.419 1.00 0.00 C ATOM 0 H ILE A 28 13.789 6.847 0.142 1.00 0.00 H new ATOM 0 HA ILE A 28 12.187 9.231 0.625 1.00 0.00 H new ATOM 0 HB ILE A 28 12.047 7.076 -1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 28 13.182 9.892 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 28 14.076 8.397 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.529 8.627 -2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.857 8.099 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.572 9.720 -1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 28 13.777 9.527 -3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.918 7.969 -3.842 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.010 9.487 -3.643 1.00 0.00 H new ATOM 391 N TYR A 29 10.278 8.188 1.808 1.00 0.00 N ATOM 392 CA TYR A 29 9.139 7.613 2.515 1.00 0.00 C ATOM 393 C TYR A 29 7.995 8.617 2.612 1.00 0.00 C ATOM 394 O TYR A 29 8.219 9.824 2.697 1.00 0.00 O ATOM 395 CB TYR A 29 9.557 7.161 3.915 1.00 0.00 C ATOM 396 CG TYR A 29 10.060 8.287 4.790 1.00 0.00 C ATOM 397 CD1 TYR A 29 9.182 9.045 5.555 1.00 0.00 C ATOM 398 CD2 TYR A 29 11.414 8.593 4.851 1.00 0.00 C ATOM 399 CE1 TYR A 29 9.638 10.075 6.354 1.00 0.00 C ATOM 400 CE2 TYR A 29 11.879 9.620 5.649 1.00 0.00 C ATOM 401 CZ TYR A 29 10.987 10.359 6.398 1.00 0.00 C ATOM 402 OH TYR A 29 11.445 11.383 7.195 1.00 0.00 O ATOM 0 H TYR A 29 10.439 9.177 2.001 1.00 0.00 H new ATOM 0 HA TYR A 29 8.792 6.748 1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 29 8.706 6.685 4.403 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.337 6.405 3.826 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.125 8.825 5.524 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.115 8.018 4.264 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.942 10.655 6.941 1.00 0.00 H new ATOM 0 HE2 TYR A 29 12.935 9.843 5.686 1.00 0.00 H new ATOM 0 HH TYR A 29 12.419 11.451 7.113 1.00 0.00 H new ATOM 412 N TYR A 30 6.768 8.108 2.598 1.00 0.00 N ATOM 413 CA TYR A 30 5.587 8.959 2.683 1.00 0.00 C ATOM 414 C TYR A 30 5.095 9.067 4.123 1.00 0.00 C ATOM 415 O TYR A 30 4.789 8.061 4.764 1.00 0.00 O ATOM 416 CB TYR A 30 4.472 8.410 1.792 1.00 0.00 C ATOM 417 CG TYR A 30 4.970 7.828 0.488 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.391 8.652 -0.548 1.00 0.00 C ATOM 419 CD2 TYR A 30 5.021 6.453 0.293 1.00 0.00 C ATOM 420 CE1 TYR A 30 5.846 8.125 -1.741 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.476 5.917 -0.896 1.00 0.00 C ATOM 422 CZ TYR A 30 5.887 6.757 -1.910 1.00 0.00 C ATOM 423 OH TYR A 30 6.341 6.227 -3.096 1.00 0.00 O ATOM 0 H TYR A 30 6.565 7.111 2.529 1.00 0.00 H new ATOM 0 HA TYR A 30 5.863 9.955 2.337 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.927 7.641 2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.764 9.210 1.576 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.362 9.724 -0.418 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.699 5.792 1.085 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.168 8.780 -2.537 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.510 4.846 -1.031 1.00 0.00 H new ATOM 0 HH TYR A 30 5.577 5.977 -3.656 1.00 0.00 H new ATOM 433 N VAL A 31 5.022 10.295 4.627 1.00 0.00 N ATOM 434 CA VAL A 31 4.566 10.536 5.990 1.00 0.00 C ATOM 435 C VAL A 31 3.126 11.037 6.008 1.00 0.00 C ATOM 436 O VAL A 31 2.752 11.908 5.223 1.00 0.00 O ATOM 437 CB VAL A 31 5.463 11.562 6.709 1.00 0.00 C ATOM 438 CG1 VAL A 31 4.973 12.978 6.445 1.00 0.00 C ATOM 439 CG2 VAL A 31 5.511 11.274 8.202 1.00 0.00 C ATOM 0 H VAL A 31 5.273 11.138 4.111 1.00 0.00 H new ATOM 0 HA VAL A 31 4.623 9.583 6.515 1.00 0.00 H new ATOM 0 HB VAL A 31 6.475 11.474 6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.619 13.689 6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.997 13.177 5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.952 13.084 6.811 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.149 12.008 8.694 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.505 11.332 8.616 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.914 10.275 8.367 1.00 0.00 H new ATOM 449 N ASP A 32 2.324 10.480 6.908 1.00 0.00 N ATOM 450 CA ASP A 32 0.924 10.871 7.030 1.00 0.00 C ATOM 451 C ASP A 32 0.730 11.842 8.190 1.00 0.00 C ATOM 452 O ASP A 32 0.665 11.434 9.350 1.00 0.00 O ATOM 453 CB ASP A 32 0.043 9.637 7.228 1.00 0.00 C ATOM 454 CG ASP A 32 0.337 8.546 6.217 1.00 0.00 C ATOM 455 OD1 ASP A 32 1.522 8.185 6.062 1.00 0.00 O ATOM 456 OD2 ASP A 32 -0.617 8.055 5.578 1.00 0.00 O ATOM 0 H ASP A 32 2.619 9.757 7.564 1.00 0.00 H new ATOM 0 HA ASP A 32 0.631 11.372 6.108 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.192 9.245 8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.005 9.927 7.151 1.00 0.00 H new ATOM 461 N HIS A 33 0.638 13.129 7.869 1.00 0.00 N ATOM 462 CA HIS A 33 0.452 14.159 8.886 1.00 0.00 C ATOM 463 C HIS A 33 -0.912 14.020 9.556 1.00 0.00 C ATOM 464 O HIS A 33 -1.213 14.721 10.522 1.00 0.00 O ATOM 465 CB HIS A 33 0.589 15.549 8.264 1.00 0.00 C ATOM 466 CG HIS A 33 1.960 15.834 7.731 1.00 0.00 C ATOM 467 ND1 HIS A 33 3.112 15.585 8.446 1.00 0.00 N ATOM 468 CD2 HIS A 33 2.359 16.349 6.545 1.00 0.00 C ATOM 469 CE1 HIS A 33 4.161 15.936 7.724 1.00 0.00 C ATOM 470 NE2 HIS A 33 3.731 16.403 6.565 1.00 0.00 N ATOM 0 H HIS A 33 0.689 13.483 6.914 1.00 0.00 H new ATOM 0 HA HIS A 33 1.224 14.031 9.644 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.135 15.649 7.455 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.336 16.300 9.013 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.718 16.660 5.734 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.194 15.855 8.029 1.00 0.00 H new ATOM 0 HE2 HIS A 33 4.322 16.748 5.808 1.00 0.00 H new ATOM 478 N ILE A 34 -1.732 13.113 9.036 1.00 0.00 N ATOM 479 CA ILE A 34 -3.062 12.883 9.584 1.00 0.00 C ATOM 480 C ILE A 34 -3.157 11.510 10.240 1.00 0.00 C ATOM 481 O ILE A 34 -3.531 11.392 11.406 1.00 0.00 O ATOM 482 CB ILE A 34 -4.147 12.996 8.496 1.00 0.00 C ATOM 483 CG1 ILE A 34 -4.171 14.411 7.914 1.00 0.00 C ATOM 484 CG2 ILE A 34 -5.509 12.628 9.066 1.00 0.00 C ATOM 485 CD1 ILE A 34 -3.092 14.660 6.884 1.00 0.00 C ATOM 0 H ILE A 34 -1.498 12.526 8.236 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.231 13.654 10.335 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.910 12.298 7.693 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.145 14.591 7.459 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.060 15.131 8.725 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.265 12.713 8.285 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.483 11.603 9.437 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.756 13.304 9.885 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.170 15.683 6.515 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.113 14.512 7.340 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.214 13.965 6.054 1.00 0.00 H new ATOM 497 N ASN A 35 -2.814 10.473 9.482 1.00 0.00 N ATOM 498 CA ASN A 35 -2.859 9.107 9.990 1.00 0.00 C ATOM 499 C ASN A 35 -1.707 8.847 10.955 1.00 0.00 C ATOM 500 O ASN A 35 -1.689 7.837 11.659 1.00 0.00 O ATOM 501 CB ASN A 35 -2.805 8.108 8.832 1.00 0.00 C ATOM 502 CG ASN A 35 -4.184 7.731 8.328 1.00 0.00 C ATOM 503 OD1 ASN A 35 -4.676 6.634 8.596 1.00 0.00 O ATOM 504 ND2 ASN A 35 -4.816 8.640 7.595 1.00 0.00 N ATOM 0 H ASN A 35 -2.502 10.553 8.514 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.797 8.977 10.529 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.227 8.536 8.013 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.281 7.209 9.156 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.747 8.442 7.229 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.370 9.536 7.398 1.00 0.00 H new ATOM 511 N ARG A 36 -0.747 9.766 10.983 1.00 0.00 N ATOM 512 CA ARG A 36 0.409 9.636 11.861 1.00 0.00 C ATOM 513 C ARG A 36 1.092 8.286 11.666 1.00 0.00 C ATOM 514 O ARG A 36 1.281 7.529 12.619 1.00 0.00 O ATOM 515 CB ARG A 36 -0.012 9.800 13.323 1.00 0.00 C ATOM 516 CG ARG A 36 -0.952 10.971 13.558 1.00 0.00 C ATOM 517 CD ARG A 36 -0.185 12.248 13.863 1.00 0.00 C ATOM 518 NE ARG A 36 0.722 12.614 12.779 1.00 0.00 N ATOM 519 CZ ARG A 36 1.747 13.446 12.927 1.00 0.00 C ATOM 520 NH1 ARG A 36 1.993 13.995 14.109 1.00 0.00 N ATOM 521 NH2 ARG A 36 2.528 13.730 11.893 1.00 0.00 N ATOM 0 H ARG A 36 -0.747 10.608 10.408 1.00 0.00 H new ATOM 0 HA ARG A 36 1.118 10.423 11.604 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.497 8.883 13.658 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.879 9.932 13.936 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.575 11.121 12.677 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.622 10.741 14.387 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.890 13.061 14.036 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.384 12.118 14.783 1.00 0.00 H new ATOM 0 HE ARG A 36 0.560 12.209 11.857 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.395 13.779 14.906 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.780 14.634 14.221 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.342 13.309 10.983 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.315 14.369 12.008 1.00 0.00 H new ATOM 535 N LYS A 37 1.460 7.989 10.424 1.00 0.00 N ATOM 536 CA LYS A 37 2.122 6.730 10.102 1.00 0.00 C ATOM 537 C LYS A 37 3.058 6.898 8.910 1.00 0.00 C ATOM 538 O LYS A 37 2.817 7.723 8.028 1.00 0.00 O ATOM 539 CB LYS A 37 1.084 5.647 9.800 1.00 0.00 C ATOM 540 CG LYS A 37 0.630 5.626 8.351 1.00 0.00 C ATOM 541 CD LYS A 37 -0.562 4.705 8.153 1.00 0.00 C ATOM 542 CE LYS A 37 -1.068 4.747 6.719 1.00 0.00 C ATOM 543 NZ LYS A 37 -1.978 3.608 6.418 1.00 0.00 N ATOM 0 H LYS A 37 1.311 8.603 9.624 1.00 0.00 H new ATOM 0 HA LYS A 37 2.713 6.427 10.966 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.503 4.673 10.055 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.216 5.799 10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.367 6.636 8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.453 5.299 7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.281 3.684 8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.364 4.996 8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.593 5.687 6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.220 4.725 6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.301 3.673 5.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.470 2.711 6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.800 3.643 7.054 1.00 0.00 H new ATOM 557 N THR A 38 4.128 6.109 8.888 1.00 0.00 N ATOM 558 CA THR A 38 5.101 6.170 7.804 1.00 0.00 C ATOM 559 C THR A 38 5.587 4.776 7.422 1.00 0.00 C ATOM 560 O THR A 38 5.966 3.984 8.284 1.00 0.00 O ATOM 561 CB THR A 38 6.314 7.038 8.186 1.00 0.00 C ATOM 562 OG1 THR A 38 6.823 6.633 9.462 1.00 0.00 O ATOM 563 CG2 THR A 38 5.935 8.510 8.229 1.00 0.00 C ATOM 0 H THR A 38 4.343 5.420 9.609 1.00 0.00 H new ATOM 0 HA THR A 38 4.595 6.622 6.951 1.00 0.00 H new ATOM 0 HB THR A 38 7.085 6.901 7.427 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.752 5.659 9.548 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.808 9.103 8.501 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.576 8.822 7.248 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.149 8.662 8.969 1.00 0.00 H new ATOM 571 N GLN A 39 5.573 4.484 6.126 1.00 0.00 N ATOM 572 CA GLN A 39 6.013 3.185 5.631 1.00 0.00 C ATOM 573 C GLN A 39 6.609 3.308 4.233 1.00 0.00 C ATOM 574 O GLN A 39 6.401 4.307 3.544 1.00 0.00 O ATOM 575 CB GLN A 39 4.843 2.199 5.615 1.00 0.00 C ATOM 576 CG GLN A 39 3.640 2.696 4.830 1.00 0.00 C ATOM 577 CD GLN A 39 2.495 1.702 4.825 1.00 0.00 C ATOM 578 OE1 GLN A 39 2.135 1.146 5.863 1.00 0.00 O ATOM 579 NE2 GLN A 39 1.916 1.472 3.653 1.00 0.00 N ATOM 0 H GLN A 39 5.262 5.129 5.400 1.00 0.00 H new ATOM 0 HA GLN A 39 6.785 2.811 6.303 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.180 1.255 5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.537 1.994 6.641 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.296 3.638 5.257 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.941 2.903 3.803 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.246 1.955 2.817 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.141 0.812 3.588 1.00 0.00 H new ATOM 588 N TYR A 40 7.351 2.287 3.820 1.00 0.00 N ATOM 589 CA TYR A 40 7.980 2.282 2.504 1.00 0.00 C ATOM 590 C TYR A 40 6.961 1.966 1.414 1.00 0.00 C ATOM 591 O TYR A 40 6.827 2.708 0.442 1.00 0.00 O ATOM 592 CB TYR A 40 9.119 1.262 2.464 1.00 0.00 C ATOM 593 CG TYR A 40 10.458 1.833 2.872 1.00 0.00 C ATOM 594 CD1 TYR A 40 10.578 2.639 3.997 1.00 0.00 C ATOM 595 CD2 TYR A 40 11.603 1.567 2.131 1.00 0.00 C ATOM 596 CE1 TYR A 40 11.800 3.163 4.373 1.00 0.00 C ATOM 597 CE2 TYR A 40 12.829 2.086 2.500 1.00 0.00 C ATOM 598 CZ TYR A 40 12.922 2.884 3.622 1.00 0.00 C ATOM 599 OH TYR A 40 14.141 3.404 3.992 1.00 0.00 O ATOM 0 H TYR A 40 7.532 1.452 4.377 1.00 0.00 H new ATOM 0 HA TYR A 40 8.385 3.277 2.320 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.873 0.429 3.123 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.198 0.858 1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.701 2.860 4.588 1.00 0.00 H new ATOM 0 HD2 TYR A 40 11.533 0.944 1.252 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.876 3.788 5.251 1.00 0.00 H new ATOM 0 HE2 TYR A 40 13.710 1.868 1.914 1.00 0.00 H new ATOM 0 HH TYR A 40 14.077 4.380 4.048 1.00 0.00 H new ATOM 609 N GLU A 41 6.244 0.860 1.585 1.00 0.00 N ATOM 610 CA GLU A 41 5.237 0.445 0.616 1.00 0.00 C ATOM 611 C GLU A 41 4.225 1.561 0.372 1.00 0.00 C ATOM 612 O GLU A 41 3.518 1.983 1.286 1.00 0.00 O ATOM 613 CB GLU A 41 4.516 -0.814 1.103 1.00 0.00 C ATOM 614 CG GLU A 41 3.439 -1.306 0.151 1.00 0.00 C ATOM 615 CD GLU A 41 2.958 -2.704 0.486 1.00 0.00 C ATOM 616 OE1 GLU A 41 2.974 -3.067 1.681 1.00 0.00 O ATOM 617 OE2 GLU A 41 2.564 -3.435 -0.447 1.00 0.00 O ATOM 0 H GLU A 41 6.342 0.235 2.385 1.00 0.00 H new ATOM 0 HA GLU A 41 5.743 0.224 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.248 -1.608 1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.065 -0.611 2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.593 -0.619 0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.827 -1.294 -0.868 1.00 0.00 H new ATOM 624 N ASN A 42 4.162 2.034 -0.868 1.00 0.00 N ATOM 625 CA ASN A 42 3.239 3.102 -1.233 1.00 0.00 C ATOM 626 C ASN A 42 1.795 2.690 -0.958 1.00 0.00 C ATOM 627 O ASN A 42 1.393 1.551 -1.192 1.00 0.00 O ATOM 628 CB ASN A 42 3.404 3.466 -2.710 1.00 0.00 C ATOM 629 CG ASN A 42 2.914 4.867 -3.019 1.00 0.00 C ATOM 630 OD1 ASN A 42 3.652 5.841 -2.874 1.00 0.00 O ATOM 631 ND2 ASN A 42 1.661 4.974 -3.448 1.00 0.00 N ATOM 0 H ASN A 42 4.739 1.694 -1.637 1.00 0.00 H new ATOM 0 HA ASN A 42 3.473 3.974 -0.623 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.455 3.383 -2.987 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.856 2.749 -3.321 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.275 5.891 -3.672 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.085 4.139 -3.553 1.00 0.00 H new ATOM 638 N PRO A 43 0.996 3.640 -0.449 1.00 0.00 N ATOM 639 CA PRO A 43 -0.415 3.400 -0.132 1.00 0.00 C ATOM 640 C PRO A 43 -1.267 3.215 -1.383 1.00 0.00 C ATOM 641 O PRO A 43 -2.175 2.385 -1.411 1.00 0.00 O ATOM 642 CB PRO A 43 -0.831 4.669 0.615 1.00 0.00 C ATOM 643 CG PRO A 43 0.105 5.720 0.128 1.00 0.00 C ATOM 644 CD PRO A 43 1.408 5.020 -0.145 1.00 0.00 C ATOM 0 HA PRO A 43 -0.553 2.485 0.444 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.867 4.932 0.402 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.751 4.537 1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.279 6.196 -0.774 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.232 6.505 0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.941 5.474 -0.981 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.074 5.060 0.717 1.00 0.00 H new ATOM 652 N VAL A 44 -0.968 3.995 -2.418 1.00 0.00 N ATOM 653 CA VAL A 44 -1.706 3.916 -3.673 1.00 0.00 C ATOM 654 C VAL A 44 -1.640 2.511 -4.262 1.00 0.00 C ATOM 655 O VAL A 44 -2.648 1.968 -4.714 1.00 0.00 O ATOM 656 CB VAL A 44 -1.163 4.920 -4.707 1.00 0.00 C ATOM 657 CG1 VAL A 44 -1.881 4.757 -6.038 1.00 0.00 C ATOM 658 CG2 VAL A 44 -1.300 6.344 -4.189 1.00 0.00 C ATOM 0 H VAL A 44 -0.220 4.688 -2.412 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.743 4.164 -3.447 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.104 4.715 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.484 5.475 -6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.727 3.745 -6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.948 4.934 -5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.912 7.040 -4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.351 6.563 -4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.736 6.450 -3.262 1.00 0.00 H new ATOM 668 N LEU A 45 -0.446 1.928 -4.253 1.00 0.00 N ATOM 669 CA LEU A 45 -0.248 0.584 -4.785 1.00 0.00 C ATOM 670 C LEU A 45 -1.061 -0.439 -3.999 1.00 0.00 C ATOM 671 O LEU A 45 -1.757 -1.271 -4.580 1.00 0.00 O ATOM 672 CB LEU A 45 1.236 0.213 -4.746 1.00 0.00 C ATOM 673 CG LEU A 45 2.191 1.195 -5.426 1.00 0.00 C ATOM 674 CD1 LEU A 45 3.636 0.840 -5.108 1.00 0.00 C ATOM 675 CD2 LEU A 45 1.962 1.207 -6.930 1.00 0.00 C ATOM 0 H LEU A 45 0.399 2.364 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.592 0.575 -5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.536 0.108 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.358 -0.764 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 45 1.990 2.194 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.302 1.549 -5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.793 0.883 -4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.850 -0.167 -5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.650 1.911 -7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.135 0.209 -7.332 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.936 1.509 -7.139 1.00 0.00 H new ATOM 687 N GLU A 46 -0.968 -0.370 -2.675 1.00 0.00 N ATOM 688 CA GLU A 46 -1.696 -1.290 -1.809 1.00 0.00 C ATOM 689 C GLU A 46 -3.188 -1.269 -2.126 1.00 0.00 C ATOM 690 O GLU A 46 -3.765 -2.282 -2.520 1.00 0.00 O ATOM 691 CB GLU A 46 -1.470 -0.930 -0.339 1.00 0.00 C ATOM 692 CG GLU A 46 -2.378 -1.683 0.618 1.00 0.00 C ATOM 693 CD GLU A 46 -1.825 -3.042 1.000 1.00 0.00 C ATOM 694 OE1 GLU A 46 -1.085 -3.632 0.186 1.00 0.00 O ATOM 695 OE2 GLU A 46 -2.132 -3.515 2.114 1.00 0.00 O ATOM 0 H GLU A 46 -0.396 0.313 -2.179 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.317 -2.296 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.432 -1.135 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.626 0.141 -0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.523 -1.088 1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.358 -1.810 0.159 1.00 0.00 H new ATOM 702 N ALA A 47 -3.808 -0.106 -1.950 1.00 0.00 N ATOM 703 CA ALA A 47 -5.233 0.048 -2.219 1.00 0.00 C ATOM 704 C ALA A 47 -5.598 -0.515 -3.588 1.00 0.00 C ATOM 705 O ALA A 47 -6.389 -1.453 -3.694 1.00 0.00 O ATOM 706 CB ALA A 47 -5.631 1.514 -2.125 1.00 0.00 C ATOM 0 H ALA A 47 -3.346 0.742 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.783 -0.516 -1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.697 1.615 -2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.415 1.886 -1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.066 2.092 -2.856 1.00 0.00 H new ATOM 712 N LYS A 48 -5.018 0.063 -4.634 1.00 0.00 N ATOM 713 CA LYS A 48 -5.281 -0.381 -5.998 1.00 0.00 C ATOM 714 C LYS A 48 -4.975 -1.867 -6.154 1.00 0.00 C ATOM 715 O LYS A 48 -5.433 -2.508 -7.101 1.00 0.00 O ATOM 716 CB LYS A 48 -4.445 0.430 -6.990 1.00 0.00 C ATOM 717 CG LYS A 48 -3.111 -0.212 -7.329 1.00 0.00 C ATOM 718 CD LYS A 48 -2.088 0.825 -7.764 1.00 0.00 C ATOM 719 CE LYS A 48 -2.455 1.440 -9.106 1.00 0.00 C ATOM 720 NZ LYS A 48 -1.251 1.904 -9.851 1.00 0.00 N ATOM 0 H LYS A 48 -4.362 0.841 -4.563 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.339 -0.222 -6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.017 0.566 -7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.266 1.422 -6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.735 -0.753 -6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.250 -0.944 -8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.019 1.609 -7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.104 0.361 -7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.994 0.707 -9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.131 2.281 -8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.543 2.317 -10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.751 2.622 -9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.618 1.097 -10.025 1.00 0.00 H new ATOM 734 N ARG A 49 -4.200 -2.409 -5.221 1.00 0.00 N ATOM 735 CA ARG A 49 -3.833 -3.820 -5.256 1.00 0.00 C ATOM 736 C ARG A 49 -4.872 -4.669 -4.530 1.00 0.00 C ATOM 737 O ARG A 49 -5.169 -5.791 -4.940 1.00 0.00 O ATOM 738 CB ARG A 49 -2.456 -4.027 -4.622 1.00 0.00 C ATOM 739 CG ARG A 49 -1.964 -5.463 -4.690 1.00 0.00 C ATOM 740 CD ARG A 49 -0.491 -5.565 -4.329 1.00 0.00 C ATOM 741 NE ARG A 49 0.134 -6.752 -4.907 1.00 0.00 N ATOM 742 CZ ARG A 49 0.302 -6.932 -6.212 1.00 0.00 C ATOM 743 NH1 ARG A 49 -0.106 -6.007 -7.070 1.00 0.00 N ATOM 744 NH2 ARG A 49 0.879 -8.039 -6.662 1.00 0.00 N ATOM 0 H ARG A 49 -3.814 -1.892 -4.431 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.796 -4.135 -6.299 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.734 -3.381 -5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.495 -3.714 -3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.550 -6.082 -4.010 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.121 -5.855 -5.695 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.030 -4.674 -4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.385 -5.591 -3.245 1.00 0.00 H new ATOM 0 HE ARG A 49 0.459 -7.483 -4.274 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.550 -5.155 -6.728 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.024 -6.148 -8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.194 -8.753 -6.005 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.007 -8.176 -7.665 1.00 0.00 H new ATOM 758 N LYS A 50 -5.421 -4.127 -3.448 1.00 0.00 N ATOM 759 CA LYS A 50 -6.427 -4.834 -2.664 1.00 0.00 C ATOM 760 C LYS A 50 -7.834 -4.414 -3.079 1.00 0.00 C ATOM 761 O LYS A 50 -8.824 -4.985 -2.622 1.00 0.00 O ATOM 762 CB LYS A 50 -6.223 -4.564 -1.172 1.00 0.00 C ATOM 763 CG LYS A 50 -6.333 -3.096 -0.798 1.00 0.00 C ATOM 764 CD LYS A 50 -6.048 -2.872 0.677 1.00 0.00 C ATOM 765 CE LYS A 50 -7.240 -3.260 1.540 1.00 0.00 C ATOM 766 NZ LYS A 50 -6.835 -3.566 2.940 1.00 0.00 N ATOM 0 H LYS A 50 -5.186 -3.200 -3.094 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.314 -5.902 -2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.961 -5.131 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.241 -4.933 -0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.633 -2.514 -1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.333 -2.733 -1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.177 -3.457 0.973 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.801 -1.824 0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.967 -2.448 1.542 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.734 -4.129 1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.675 -3.826 3.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.161 -4.358 2.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.386 -2.728 3.362 1.00 0.00 H new ATOM 780 N LYS A 51 -7.915 -3.414 -3.950 1.00 0.00 N ATOM 781 CA LYS A 51 -9.200 -2.919 -4.430 1.00 0.00 C ATOM 782 C LYS A 51 -9.547 -3.532 -5.783 1.00 0.00 C ATOM 783 O LYS A 51 -10.719 -3.735 -6.099 1.00 0.00 O ATOM 784 CB LYS A 51 -9.173 -1.393 -4.541 1.00 0.00 C ATOM 785 CG LYS A 51 -10.325 -0.822 -5.348 1.00 0.00 C ATOM 786 CD LYS A 51 -9.993 -0.765 -6.830 1.00 0.00 C ATOM 787 CE LYS A 51 -11.245 -0.882 -7.686 1.00 0.00 C ATOM 788 NZ LYS A 51 -11.099 -0.165 -8.984 1.00 0.00 N ATOM 0 H LYS A 51 -7.105 -2.930 -4.338 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.966 -3.211 -3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.194 -0.964 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.233 -1.087 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.215 -1.433 -5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.561 0.179 -4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.484 0.172 -7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.303 -1.571 -7.081 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.459 -1.934 -7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.097 -0.476 -7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.973 -0.269 -9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.920 0.844 -8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.302 -0.569 -9.516 1.00 0.00 H new ATOM 802 N GLN A 52 -8.522 -3.823 -6.577 1.00 0.00 N ATOM 803 CA GLN A 52 -8.721 -4.413 -7.895 1.00 0.00 C ATOM 804 C GLN A 52 -9.403 -5.773 -7.786 1.00 0.00 C ATOM 805 O GLN A 52 -10.136 -6.185 -8.686 1.00 0.00 O ATOM 806 CB GLN A 52 -7.381 -4.558 -8.620 1.00 0.00 C ATOM 807 CG GLN A 52 -7.005 -3.343 -9.453 1.00 0.00 C ATOM 808 CD GLN A 52 -7.546 -3.415 -10.867 1.00 0.00 C ATOM 809 OE1 GLN A 52 -8.744 -3.247 -11.095 1.00 0.00 O ATOM 810 NE2 GLN A 52 -6.663 -3.666 -11.827 1.00 0.00 N ATOM 0 H GLN A 52 -7.546 -3.660 -6.331 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.367 -3.748 -8.469 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.597 -4.740 -7.885 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.421 -5.434 -9.268 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.384 -2.443 -8.968 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.919 -3.253 -9.488 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.679 -3.799 -11.593 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.969 -3.726 -12.798 1.00 0.00 H new ATOM 819 N LEU A 53 -9.157 -6.465 -6.680 1.00 0.00 N ATOM 820 CA LEU A 53 -9.748 -7.780 -6.453 1.00 0.00 C ATOM 821 C LEU A 53 -11.199 -7.813 -6.923 1.00 0.00 C ATOM 822 O LEU A 53 -12.067 -7.174 -6.330 1.00 0.00 O ATOM 823 CB LEU A 53 -9.672 -8.145 -4.969 1.00 0.00 C ATOM 824 CG LEU A 53 -8.302 -8.594 -4.458 1.00 0.00 C ATOM 825 CD1 LEU A 53 -8.152 -10.102 -4.586 1.00 0.00 C ATOM 826 CD2 LEU A 53 -7.191 -7.879 -5.213 1.00 0.00 C ATOM 0 H LEU A 53 -8.553 -6.138 -5.926 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.182 -8.511 -7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.990 -7.281 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.389 -8.942 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.225 -8.331 -3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.171 -10.403 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.927 -10.596 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.250 -10.390 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.223 -8.211 -4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.266 -8.111 -6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.287 -6.803 -5.069 1.00 0.00 H new ATOM 838 N GLU A 54 -11.452 -8.564 -7.990 1.00 0.00 N ATOM 839 CA GLU A 54 -12.799 -8.682 -8.538 1.00 0.00 C ATOM 840 C GLU A 54 -13.550 -9.841 -7.890 1.00 0.00 C ATOM 841 O GLU A 54 -13.010 -10.937 -7.738 1.00 0.00 O ATOM 842 CB GLU A 54 -12.741 -8.880 -10.054 1.00 0.00 C ATOM 843 CG GLU A 54 -12.106 -7.716 -10.796 1.00 0.00 C ATOM 844 CD GLU A 54 -11.619 -8.103 -12.179 1.00 0.00 C ATOM 845 OE1 GLU A 54 -10.695 -8.938 -12.270 1.00 0.00 O ATOM 846 OE2 GLU A 54 -12.161 -7.570 -13.170 1.00 0.00 O ATOM 0 H GLU A 54 -10.743 -9.099 -8.492 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.335 -7.758 -8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.180 -9.789 -10.272 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.752 -9.032 -10.431 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.831 -6.907 -10.883 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.268 -7.332 -10.214 1.00 0.00 H new ATOM 853 N SER A 55 -14.799 -9.591 -7.511 1.00 0.00 N ATOM 854 CA SER A 55 -15.624 -10.612 -6.876 1.00 0.00 C ATOM 855 C SER A 55 -17.092 -10.437 -7.254 1.00 0.00 C ATOM 856 O SER A 55 -17.531 -9.339 -7.592 1.00 0.00 O ATOM 857 CB SER A 55 -15.467 -10.552 -5.355 1.00 0.00 C ATOM 858 OG SER A 55 -14.343 -11.302 -4.928 1.00 0.00 O ATOM 0 H SER A 55 -15.262 -8.690 -7.633 1.00 0.00 H new ATOM 0 HA SER A 55 -15.289 -11.587 -7.231 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.358 -9.515 -5.038 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.368 -10.938 -4.878 1.00 0.00 H new ATOM 0 HG SER A 55 -13.681 -11.339 -5.650 1.00 0.00 H new ATOM 864 N GLY A 56 -17.846 -11.530 -7.194 1.00 0.00 N ATOM 865 CA GLY A 56 -19.257 -11.478 -7.533 1.00 0.00 C ATOM 866 C GLY A 56 -19.612 -12.402 -8.681 1.00 0.00 C ATOM 867 O GLY A 56 -18.865 -13.320 -9.021 1.00 0.00 O ATOM 0 H GLY A 56 -17.506 -12.451 -6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.848 -11.748 -6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -19.527 -10.455 -7.797 1.00 0.00 H new ATOM 871 N PRO A 57 -20.778 -12.163 -9.299 1.00 0.00 N ATOM 872 CA PRO A 57 -21.258 -12.971 -10.424 1.00 0.00 C ATOM 873 C PRO A 57 -20.433 -12.753 -11.687 1.00 0.00 C ATOM 874 O PRO A 57 -20.637 -13.427 -12.697 1.00 0.00 O ATOM 875 CB PRO A 57 -22.692 -12.475 -10.630 1.00 0.00 C ATOM 876 CG PRO A 57 -22.694 -11.087 -10.090 1.00 0.00 C ATOM 877 CD PRO A 57 -21.718 -11.086 -8.946 1.00 0.00 C ATOM 0 HA PRO A 57 -21.187 -14.039 -10.219 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -22.968 -12.490 -11.684 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -23.408 -13.106 -10.104 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -22.398 -10.370 -10.856 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -23.690 -10.801 -9.753 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -21.211 -10.126 -8.851 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -22.213 -11.281 -7.995 1.00 0.00 H new ATOM 885 N SER A 58 -19.499 -11.809 -11.624 1.00 0.00 N ATOM 886 CA SER A 58 -18.645 -11.500 -12.764 1.00 0.00 C ATOM 887 C SER A 58 -17.172 -11.652 -12.397 1.00 0.00 C ATOM 888 O SER A 58 -16.745 -11.244 -11.317 1.00 0.00 O ATOM 889 CB SER A 58 -18.914 -10.079 -13.261 1.00 0.00 C ATOM 890 OG SER A 58 -17.958 -9.687 -14.231 1.00 0.00 O ATOM 0 H SER A 58 -19.315 -11.245 -10.794 1.00 0.00 H new ATOM 0 HA SER A 58 -18.878 -12.206 -13.561 1.00 0.00 H new ATOM 0 HB2 SER A 58 -19.915 -10.024 -13.690 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.889 -9.386 -12.420 1.00 0.00 H new ATOM 0 HG SER A 58 -18.154 -8.776 -14.533 1.00 0.00 H new ATOM 896 N SER A 59 -16.400 -12.244 -13.303 1.00 0.00 N ATOM 897 CA SER A 59 -14.976 -12.454 -13.073 1.00 0.00 C ATOM 898 C SER A 59 -14.184 -12.263 -14.363 1.00 0.00 C ATOM 899 O SER A 59 -14.546 -12.795 -15.412 1.00 0.00 O ATOM 900 CB SER A 59 -14.729 -13.856 -12.513 1.00 0.00 C ATOM 901 OG SER A 59 -13.361 -14.045 -12.195 1.00 0.00 O ATOM 0 H SER A 59 -16.737 -12.586 -14.203 1.00 0.00 H new ATOM 0 HA SER A 59 -14.638 -11.716 -12.346 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.337 -14.007 -11.621 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.042 -14.603 -13.243 1.00 0.00 H new ATOM 0 HG SER A 59 -13.230 -14.948 -11.838 1.00 0.00 H new ATOM 907 N GLY A 60 -13.099 -11.498 -14.277 1.00 0.00 N ATOM 908 CA GLY A 60 -12.273 -11.249 -15.444 1.00 0.00 C ATOM 909 C GLY A 60 -11.305 -10.102 -15.234 1.00 0.00 C ATOM 910 O GLY A 60 -10.205 -10.295 -14.717 1.00 0.00 O ATOM 0 H GLY A 60 -12.778 -11.047 -13.420 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.714 -12.152 -15.689 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.913 -11.029 -16.298 1.00 0.00 H new TER 914 GLY A 60