USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 662 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 67 THR OG1 : rot 180:sc= -0.0234 USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0 X(o=-0.023,f=-0.026) USER MOD Set 2.1: A 48 CYS SG : rot -70:sc= 2.08 USER MOD Set 2.2: A 54 SER OG : rot 177:sc= 1.77 USER MOD Set 2.3: A 71 ASN :FLIP amide:sc= -0.0642 F(o=3,f=3.8) USER MOD Set 3.1: A 12 GLN : amide:sc= 0.693 K(o=1.6,f=-2.5) USER MOD Set 3.2: A 49 ASN : amide:sc= 0.921 K(o=1.6,f=-1.5) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.977 K(o=0.98,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.957 K(o=0.96,f=-0.024) USER MOD Single : A 17 HIS : no HE2:sc= 1.03 K(o=1,f=-3.5!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.823 K(o=0.82,f=-0.92) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00665 USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= 1.18 (180deg=1.1) USER MOD Single : A 41 ASN : amide:sc= -0.0466 X(o=-0.047,f=-0.047) USER MOD Single : A 43 THR OG1 : rot 85:sc= 0.707 USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= 1.32 (180deg=1.18) USER MOD Single : A 47 TYR OH : rot 165:sc= 0.364 USER MOD Single : A 53 GLN : amide:sc= 0.719 K(o=0.72,f=0) USER MOD Single : A 56 GLN : amide:sc= 0.154 X(o=0.15,f=-0.16) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 1.02 (180deg=1.01) USER MOD Single : A 62 SER OG : rot 83:sc= 1.24 USER MOD Single : A 64 MET CE :methyl 161:sc= 0 (180deg=-0.0392) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0181 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -173:sc= 0 (180deg=-0.0299) USER MOD Single : A 82 LYS NZ :NH3+ -178:sc= 1.85 (180deg=1.84) USER MOD Single : A 84 LYS NZ :NH3+ -150:sc= 1.23 (180deg=1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.818 -0.131 1.245 1.00 0.00 N ATOM 2 CA ALA A 1 0.622 -0.070 -0.222 1.00 0.00 C ATOM 3 C ALA A 1 1.293 -1.276 -0.896 1.00 0.00 C ATOM 4 O ALA A 1 2.343 -1.130 -1.526 1.00 0.00 O ATOM 5 CB ALA A 1 1.125 1.275 -0.790 1.00 0.00 C ATOM 0 H1 ALA A 1 0.360 0.689 1.691 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.396 -1.007 1.615 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.835 -0.119 1.460 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.444 -0.123 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.970 1.295 -1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.573 2.094 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.188 1.387 -0.574 1.00 0.00 H new ATOM 13 N GLU A 2 0.729 -2.483 -0.760 1.00 0.00 N ATOM 14 CA GLU A 2 1.350 -3.738 -1.183 1.00 0.00 C ATOM 15 C GLU A 2 0.259 -4.789 -1.433 1.00 0.00 C ATOM 16 O GLU A 2 -0.756 -4.809 -0.731 1.00 0.00 O ATOM 17 CB GLU A 2 2.307 -4.197 -0.062 1.00 0.00 C ATOM 18 CG GLU A 2 3.065 -5.501 -0.351 1.00 0.00 C ATOM 19 CD GLU A 2 3.943 -5.909 0.844 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.033 -5.322 1.027 1.00 0.00 O ATOM 21 OE2 GLU A 2 3.571 -6.847 1.584 1.00 0.00 O ATOM 0 H GLU A 2 -0.193 -2.614 -0.343 1.00 0.00 H new ATOM 0 HA GLU A 2 1.909 -3.603 -2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.033 -3.405 0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.733 -4.323 0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.354 -6.297 -0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.687 -5.375 -1.237 1.00 0.00 H new ATOM 28 N HIS A 3 0.509 -5.690 -2.387 1.00 0.00 N ATOM 29 CA HIS A 3 -0.243 -6.911 -2.657 1.00 0.00 C ATOM 30 C HIS A 3 0.772 -7.995 -3.019 1.00 0.00 C ATOM 31 O HIS A 3 1.889 -7.680 -3.439 1.00 0.00 O ATOM 32 CB HIS A 3 -1.202 -6.736 -3.845 1.00 0.00 C ATOM 33 CG HIS A 3 -2.179 -5.597 -3.712 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.382 -5.609 -3.040 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.041 -4.356 -4.272 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.951 -4.401 -3.191 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.169 -3.596 -3.936 1.00 0.00 N ATOM 0 H HIS A 3 1.292 -5.576 -3.030 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.835 -7.168 -1.778 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.612 -6.585 -4.749 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.762 -7.661 -3.980 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.207 -4.020 -4.870 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.905 -4.115 -2.772 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.359 -2.630 -4.201 1.00 0.00 H new ATOM 45 N TRP A 4 0.362 -9.260 -2.946 1.00 0.00 N ATOM 46 CA TRP A 4 1.166 -10.402 -3.356 1.00 0.00 C ATOM 47 C TRP A 4 0.314 -11.225 -4.307 1.00 0.00 C ATOM 48 O TRP A 4 -0.829 -11.555 -3.976 1.00 0.00 O ATOM 49 CB TRP A 4 1.563 -11.245 -2.139 1.00 0.00 C ATOM 50 CG TRP A 4 2.601 -10.661 -1.230 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.419 -9.606 -0.406 1.00 0.00 C ATOM 52 CD2 TRP A 4 3.978 -11.103 -1.007 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.576 -9.352 0.294 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.567 -10.257 -0.017 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.787 -12.138 -1.530 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.884 -10.434 0.435 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.103 -12.333 -1.068 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.655 -11.482 -0.095 1.00 0.00 C ATOM 0 H TRP A 4 -0.558 -9.521 -2.592 1.00 0.00 H new ATOM 0 HA TRP A 4 2.085 -10.071 -3.840 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.666 -11.439 -1.551 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.926 -12.209 -2.496 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.501 -9.045 -0.311 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.686 -8.588 0.961 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.390 -12.789 -2.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.299 -9.773 1.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.694 -13.145 -1.465 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.669 -11.633 0.244 1.00 0.00 H new ATOM 69 N ILE A 5 0.864 -11.545 -5.477 1.00 0.00 N ATOM 70 CA ILE A 5 0.132 -12.170 -6.567 1.00 0.00 C ATOM 71 C ILE A 5 0.980 -13.354 -7.015 1.00 0.00 C ATOM 72 O ILE A 5 2.070 -13.201 -7.569 1.00 0.00 O ATOM 73 CB ILE A 5 -0.155 -11.170 -7.715 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.834 -9.857 -7.257 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.997 -11.842 -8.818 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.274 -9.959 -6.747 1.00 0.00 C ATOM 0 H ILE A 5 1.846 -11.373 -5.693 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.854 -12.506 -6.245 1.00 0.00 H new ATOM 0 HB ILE A 5 0.821 -10.886 -8.108 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.225 -9.419 -6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.820 -9.159 -8.094 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.189 -11.125 -9.616 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.454 -12.697 -9.221 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.944 -12.180 -8.398 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.629 -8.969 -6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.912 -10.358 -7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.308 -10.622 -5.883 1.00 0.00 H new ATOM 88 N ASP A 6 0.479 -14.543 -6.727 1.00 0.00 N ATOM 89 CA ASP A 6 0.998 -15.799 -7.221 1.00 0.00 C ATOM 90 C ASP A 6 0.624 -15.906 -8.699 1.00 0.00 C ATOM 91 O ASP A 6 -0.521 -16.231 -9.019 1.00 0.00 O ATOM 92 CB ASP A 6 0.361 -16.921 -6.404 1.00 0.00 C ATOM 93 CG ASP A 6 0.900 -18.295 -6.763 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.062 -18.429 -7.194 1.00 0.00 O ATOM 95 OD2 ASP A 6 0.144 -19.275 -6.587 1.00 0.00 O ATOM 0 H ASP A 6 -0.332 -14.660 -6.119 1.00 0.00 H new ATOM 0 HA ASP A 6 2.082 -15.867 -7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.534 -16.734 -5.344 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.718 -16.908 -6.558 1.00 0.00 H new ATOM 100 N VAL A 7 1.548 -15.567 -9.603 1.00 0.00 N ATOM 101 CA VAL A 7 1.314 -15.585 -11.052 1.00 0.00 C ATOM 102 C VAL A 7 1.385 -17.011 -11.630 1.00 0.00 C ATOM 103 O VAL A 7 1.264 -17.217 -12.842 1.00 0.00 O ATOM 104 CB VAL A 7 2.243 -14.592 -11.784 1.00 0.00 C ATOM 105 CG1 VAL A 7 2.175 -13.184 -11.169 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.714 -15.026 -11.850 1.00 0.00 C ATOM 0 H VAL A 7 2.490 -15.269 -9.348 1.00 0.00 H new ATOM 0 HA VAL A 7 0.294 -15.243 -11.226 1.00 0.00 H new ATOM 0 HB VAL A 7 1.859 -14.579 -12.804 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.843 -12.517 -11.713 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.154 -12.808 -11.234 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.479 -13.229 -10.123 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.293 -14.270 -12.381 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.106 -15.139 -10.839 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.789 -15.977 -12.377 1.00 0.00 H new ATOM 116 N ARG A 8 1.668 -17.990 -10.767 1.00 0.00 N ATOM 117 CA ARG A 8 1.801 -19.414 -11.051 1.00 0.00 C ATOM 118 C ARG A 8 0.474 -19.996 -11.529 1.00 0.00 C ATOM 119 O ARG A 8 -0.592 -19.423 -11.283 1.00 0.00 O ATOM 120 CB ARG A 8 2.190 -20.049 -9.712 1.00 0.00 C ATOM 121 CG ARG A 8 2.717 -21.485 -9.676 1.00 0.00 C ATOM 122 CD ARG A 8 3.234 -21.886 -8.278 1.00 0.00 C ATOM 123 NE ARG A 8 2.496 -21.271 -7.160 1.00 0.00 N ATOM 124 CZ ARG A 8 2.265 -21.797 -5.954 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.766 -22.970 -5.577 1.00 0.00 N ATOM 126 NH2 ARG A 8 1.505 -21.135 -5.105 1.00 0.00 N ATOM 0 H ARG A 8 1.821 -17.789 -9.779 1.00 0.00 H new ATOM 0 HA ARG A 8 2.535 -19.602 -11.835 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.950 -19.412 -9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.313 -20.008 -9.066 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.923 -22.168 -9.977 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.522 -21.592 -10.403 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.180 -22.970 -8.181 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.286 -21.610 -8.199 1.00 0.00 H new ATOM 0 HE ARG A 8 2.119 -20.338 -7.326 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.352 -23.504 -6.219 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.565 -23.335 -4.646 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.104 -20.236 -5.373 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.318 -21.521 -4.180 1.00 0.00 H new ATOM 140 N VAL A 9 0.535 -21.184 -12.131 1.00 0.00 N ATOM 141 CA VAL A 9 -0.657 -21.959 -12.452 1.00 0.00 C ATOM 142 C VAL A 9 -1.519 -22.184 -11.193 1.00 0.00 C ATOM 143 O VAL A 9 -0.974 -22.325 -10.092 1.00 0.00 O ATOM 144 CB VAL A 9 -0.281 -23.268 -13.182 1.00 0.00 C ATOM 145 CG1 VAL A 9 0.306 -22.965 -14.569 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.711 -24.145 -12.398 1.00 0.00 C ATOM 0 H VAL A 9 1.409 -21.632 -12.407 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.276 -21.391 -13.147 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.210 -23.831 -13.276 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.564 -23.900 -15.067 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.430 -22.427 -15.166 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.201 -22.353 -14.459 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.930 -25.047 -12.970 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.633 -23.589 -12.229 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.273 -24.421 -11.439 1.00 0.00 H new ATOM 156 N PRO A 10 -2.856 -22.231 -11.331 1.00 0.00 N ATOM 157 CA PRO A 10 -3.763 -22.189 -10.190 1.00 0.00 C ATOM 158 C PRO A 10 -3.800 -23.486 -9.375 1.00 0.00 C ATOM 159 O PRO A 10 -4.190 -23.452 -8.210 1.00 0.00 O ATOM 160 CB PRO A 10 -5.128 -21.843 -10.789 1.00 0.00 C ATOM 161 CG PRO A 10 -5.065 -22.440 -12.191 1.00 0.00 C ATOM 162 CD PRO A 10 -3.611 -22.186 -12.578 1.00 0.00 C ATOM 0 HA PRO A 10 -3.429 -21.451 -9.460 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.942 -22.273 -10.206 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.292 -20.766 -10.819 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.308 -23.502 -12.193 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.760 -21.952 -12.874 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.255 -22.941 -13.279 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.500 -21.219 -13.068 1.00 0.00 H new ATOM 170 N GLU A 11 -3.389 -24.624 -9.945 1.00 0.00 N ATOM 171 CA GLU A 11 -3.316 -25.884 -9.208 1.00 0.00 C ATOM 172 C GLU A 11 -2.295 -25.769 -8.073 1.00 0.00 C ATOM 173 O GLU A 11 -2.603 -26.091 -6.927 1.00 0.00 O ATOM 174 CB GLU A 11 -2.961 -27.026 -10.178 1.00 0.00 C ATOM 175 CG GLU A 11 -2.766 -28.393 -9.500 1.00 0.00 C ATOM 176 CD GLU A 11 -4.015 -28.866 -8.738 1.00 0.00 C ATOM 177 OE1 GLU A 11 -4.924 -29.458 -9.364 1.00 0.00 O ATOM 178 OE2 GLU A 11 -4.084 -28.653 -7.507 1.00 0.00 O ATOM 0 H GLU A 11 -3.101 -24.695 -10.921 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.284 -26.107 -8.759 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.751 -27.113 -10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.047 -26.764 -10.711 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.505 -29.134 -10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.925 -28.334 -8.809 1.00 0.00 H new ATOM 185 N GLN A 12 -1.085 -25.278 -8.361 1.00 0.00 N ATOM 186 CA GLN A 12 0.000 -25.318 -7.387 1.00 0.00 C ATOM 187 C GLN A 12 -0.296 -24.424 -6.176 1.00 0.00 C ATOM 188 O GLN A 12 0.158 -24.740 -5.079 1.00 0.00 O ATOM 189 CB GLN A 12 1.329 -24.954 -8.055 1.00 0.00 C ATOM 190 CG GLN A 12 1.814 -26.008 -9.065 1.00 0.00 C ATOM 191 CD GLN A 12 3.187 -25.665 -9.655 1.00 0.00 C ATOM 192 OE1 GLN A 12 4.056 -25.108 -8.987 1.00 0.00 O ATOM 193 NE2 GLN A 12 3.421 -25.980 -10.918 1.00 0.00 N ATOM 0 H GLN A 12 -0.838 -24.852 -9.254 1.00 0.00 H new ATOM 0 HA GLN A 12 0.083 -26.337 -7.009 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.221 -23.996 -8.564 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.090 -24.822 -7.286 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.865 -26.980 -8.575 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.087 -26.096 -9.872 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.699 -26.442 -11.471 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.324 -25.761 -11.339 1.00 0.00 H new ATOM 202 N TYR A 13 -1.104 -23.369 -6.339 1.00 0.00 N ATOM 203 CA TYR A 13 -1.631 -22.575 -5.228 1.00 0.00 C ATOM 204 C TYR A 13 -2.324 -23.456 -4.188 1.00 0.00 C ATOM 205 O TYR A 13 -2.096 -23.287 -2.991 1.00 0.00 O ATOM 206 CB TYR A 13 -2.602 -21.518 -5.765 1.00 0.00 C ATOM 207 CG TYR A 13 -3.323 -20.708 -4.701 1.00 0.00 C ATOM 208 CD1 TYR A 13 -2.701 -19.592 -4.111 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.630 -21.065 -4.313 1.00 0.00 C ATOM 210 CE1 TYR A 13 -3.384 -18.822 -3.153 1.00 0.00 C ATOM 211 CE2 TYR A 13 -5.314 -20.310 -3.344 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.694 -19.181 -2.760 1.00 0.00 C ATOM 213 OH TYR A 13 -5.352 -18.429 -1.832 1.00 0.00 O ATOM 0 H TYR A 13 -1.412 -23.042 -7.255 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.794 -22.081 -4.734 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.050 -20.834 -6.409 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.346 -22.013 -6.389 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.694 -19.326 -4.396 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.109 -21.923 -4.762 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.908 -17.956 -2.717 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.313 -20.592 -3.046 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.241 -18.809 -1.674 1.00 0.00 H new ATOM 223 N GLN A 14 -3.143 -24.416 -4.625 1.00 0.00 N ATOM 224 CA GLN A 14 -3.843 -25.314 -3.713 1.00 0.00 C ATOM 225 C GLN A 14 -2.829 -26.156 -2.934 1.00 0.00 C ATOM 226 O GLN A 14 -3.035 -26.447 -1.755 1.00 0.00 O ATOM 227 CB GLN A 14 -4.813 -26.230 -4.481 1.00 0.00 C ATOM 228 CG GLN A 14 -5.744 -25.467 -5.437 1.00 0.00 C ATOM 229 CD GLN A 14 -6.834 -26.365 -6.022 1.00 0.00 C ATOM 230 OE1 GLN A 14 -8.023 -26.132 -5.817 1.00 0.00 O ATOM 231 NE2 GLN A 14 -6.478 -27.404 -6.759 1.00 0.00 N ATOM 0 H GLN A 14 -3.336 -24.589 -5.611 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.425 -24.713 -3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.238 -26.960 -5.051 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.417 -26.788 -3.766 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.207 -24.637 -4.904 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.156 -25.037 -6.248 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.490 -27.595 -6.928 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.191 -28.014 -7.159 1.00 0.00 H new ATOM 240 N GLN A 15 -1.729 -26.539 -3.587 1.00 0.00 N ATOM 241 CA GLN A 15 -0.738 -27.426 -3.004 1.00 0.00 C ATOM 242 C GLN A 15 0.124 -26.698 -1.969 1.00 0.00 C ATOM 243 O GLN A 15 0.451 -27.307 -0.953 1.00 0.00 O ATOM 244 CB GLN A 15 0.110 -28.083 -4.110 1.00 0.00 C ATOM 245 CG GLN A 15 -0.716 -28.765 -5.223 1.00 0.00 C ATOM 246 CD GLN A 15 -1.718 -29.803 -4.703 1.00 0.00 C ATOM 247 OE1 GLN A 15 -1.421 -30.583 -3.800 1.00 0.00 O ATOM 248 NE2 GLN A 15 -2.925 -29.849 -5.244 1.00 0.00 N ATOM 0 H GLN A 15 -1.507 -26.238 -4.536 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.257 -28.221 -2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.749 -27.324 -4.561 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.768 -28.824 -3.656 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.256 -28.001 -5.782 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.035 -29.250 -5.923 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.173 -29.203 -5.993 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.607 -30.531 -4.912 1.00 0.00 H new ATOM 257 N GLU A 16 0.459 -25.420 -2.189 1.00 0.00 N ATOM 258 CA GLU A 16 1.059 -24.513 -1.205 1.00 0.00 C ATOM 259 C GLU A 16 1.089 -23.090 -1.782 1.00 0.00 C ATOM 260 O GLU A 16 1.301 -22.917 -2.985 1.00 0.00 O ATOM 261 CB GLU A 16 2.482 -24.965 -0.814 1.00 0.00 C ATOM 262 CG GLU A 16 3.032 -24.224 0.412 1.00 0.00 C ATOM 263 CD GLU A 16 4.312 -24.897 0.935 1.00 0.00 C ATOM 264 OE1 GLU A 16 5.385 -24.762 0.305 1.00 0.00 O ATOM 265 OE2 GLU A 16 4.239 -25.575 1.986 1.00 0.00 O ATOM 0 H GLU A 16 0.313 -24.973 -3.094 1.00 0.00 H new ATOM 0 HA GLU A 16 0.452 -24.530 -0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.474 -26.036 -0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.152 -24.806 -1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.243 -23.187 0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.278 -24.207 1.199 1.00 0.00 H new ATOM 272 N HIS A 17 0.933 -22.064 -0.944 1.00 0.00 N ATOM 273 CA HIS A 17 0.983 -20.653 -1.320 1.00 0.00 C ATOM 274 C HIS A 17 1.468 -19.805 -0.142 1.00 0.00 C ATOM 275 O HIS A 17 1.315 -20.209 1.012 1.00 0.00 O ATOM 276 CB HIS A 17 -0.413 -20.197 -1.774 1.00 0.00 C ATOM 277 CG HIS A 17 -1.545 -20.475 -0.808 1.00 0.00 C ATOM 278 ND1 HIS A 17 -2.332 -21.602 -0.791 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.059 -19.623 0.134 1.00 0.00 C ATOM 280 CE1 HIS A 17 -3.286 -21.440 0.138 1.00 0.00 C ATOM 281 NE2 HIS A 17 -3.164 -20.242 0.735 1.00 0.00 N ATOM 0 H HIS A 17 0.762 -22.200 0.052 1.00 0.00 H new ATOM 0 HA HIS A 17 1.686 -20.524 -2.143 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.379 -19.124 -1.965 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.642 -20.683 -2.722 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.211 -22.423 -1.384 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.678 -18.641 0.373 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.046 -22.170 0.373 1.00 0.00 H new ATOM 289 N VAL A 18 2.033 -18.626 -0.424 1.00 0.00 N ATOM 290 CA VAL A 18 2.346 -17.615 0.586 1.00 0.00 C ATOM 291 C VAL A 18 1.037 -17.228 1.279 1.00 0.00 C ATOM 292 O VAL A 18 0.030 -16.975 0.611 1.00 0.00 O ATOM 293 CB VAL A 18 3.034 -16.386 -0.057 1.00 0.00 C ATOM 294 CG1 VAL A 18 3.293 -15.270 0.967 1.00 0.00 C ATOM 295 CG2 VAL A 18 4.383 -16.757 -0.690 1.00 0.00 C ATOM 0 H VAL A 18 2.288 -18.346 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 18 3.047 -18.014 1.319 1.00 0.00 H new ATOM 0 HB VAL A 18 2.344 -16.032 -0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.777 -14.428 0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.346 -14.943 1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.940 -15.646 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.835 -15.868 -1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.046 -17.159 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.227 -17.507 -1.465 1.00 0.00 H new ATOM 305 N GLN A 19 1.060 -17.177 2.612 1.00 0.00 N ATOM 306 CA GLN A 19 -0.093 -16.867 3.444 1.00 0.00 C ATOM 307 C GLN A 19 -0.755 -15.562 2.974 1.00 0.00 C ATOM 308 O GLN A 19 -0.119 -14.506 2.960 1.00 0.00 O ATOM 309 CB GLN A 19 0.375 -16.797 4.908 1.00 0.00 C ATOM 310 CG GLN A 19 -0.767 -16.583 5.910 1.00 0.00 C ATOM 311 CD GLN A 19 -0.246 -16.619 7.348 1.00 0.00 C ATOM 312 OE1 GLN A 19 -0.243 -17.659 8.001 1.00 0.00 O ATOM 313 NE2 GLN A 19 0.220 -15.495 7.872 1.00 0.00 N ATOM 0 H GLN A 19 1.906 -17.356 3.153 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.852 -17.644 3.360 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.898 -17.720 5.158 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.095 -15.985 5.012 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.250 -15.625 5.718 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.525 -17.355 5.774 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.214 -14.635 7.323 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.585 -15.489 8.824 1.00 0.00 H new ATOM 322 N GLY A 20 -2.036 -15.640 2.603 1.00 0.00 N ATOM 323 CA GLY A 20 -2.873 -14.484 2.295 1.00 0.00 C ATOM 324 C GLY A 20 -2.650 -13.878 0.904 1.00 0.00 C ATOM 325 O GLY A 20 -3.323 -12.899 0.572 1.00 0.00 O ATOM 0 H GLY A 20 -2.528 -16.529 2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.919 -14.777 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.693 -13.713 3.044 1.00 0.00 H new ATOM 329 N ALA A 21 -1.735 -14.414 0.086 1.00 0.00 N ATOM 330 CA ALA A 21 -1.544 -13.943 -1.285 1.00 0.00 C ATOM 331 C ALA A 21 -2.742 -14.330 -2.165 1.00 0.00 C ATOM 332 O ALA A 21 -3.433 -15.314 -1.887 1.00 0.00 O ATOM 333 CB ALA A 21 -0.256 -14.533 -1.857 1.00 0.00 C ATOM 0 H ALA A 21 -1.114 -15.178 0.355 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.468 -12.856 -1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.117 -14.180 -2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.591 -14.219 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.322 -15.621 -1.855 1.00 0.00 H new ATOM 339 N ILE A 22 -2.954 -13.587 -3.254 1.00 0.00 N ATOM 340 CA ILE A 22 -3.913 -13.949 -4.300 1.00 0.00 C ATOM 341 C ILE A 22 -3.199 -14.915 -5.258 1.00 0.00 C ATOM 342 O ILE A 22 -1.972 -14.872 -5.359 1.00 0.00 O ATOM 343 CB ILE A 22 -4.385 -12.687 -5.081 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.528 -11.389 -4.248 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.709 -12.944 -5.827 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.547 -11.449 -3.101 1.00 0.00 C ATOM 0 H ILE A 22 -2.462 -12.712 -3.436 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.795 -14.412 -3.856 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.568 -12.512 -5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.553 -11.136 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.809 -10.577 -4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.007 -12.041 -6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.573 -13.758 -6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.484 -13.214 -5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.569 -10.490 -2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.536 -11.666 -3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.261 -12.234 -2.401 1.00 0.00 H new ATOM 358 N ASN A 23 -3.943 -15.724 -6.017 1.00 0.00 N ATOM 359 CA ASN A 23 -3.414 -16.450 -7.172 1.00 0.00 C ATOM 360 C ASN A 23 -4.264 -16.066 -8.362 1.00 0.00 C ATOM 361 O ASN A 23 -5.495 -16.093 -8.287 1.00 0.00 O ATOM 362 CB ASN A 23 -3.390 -17.978 -7.007 1.00 0.00 C ATOM 363 CG ASN A 23 -3.078 -18.680 -8.338 1.00 0.00 C ATOM 364 OD1 ASN A 23 -3.938 -18.806 -9.203 1.00 0.00 O ATOM 365 ND2 ASN A 23 -1.859 -19.143 -8.552 1.00 0.00 N ATOM 0 H ASN A 23 -4.934 -15.894 -5.846 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.368 -16.169 -7.298 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.642 -18.254 -6.264 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.354 -18.320 -6.630 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.636 -19.603 -9.434 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.141 -19.040 -7.835 1.00 0.00 H new ATOM 372 N ILE A 24 -3.587 -15.711 -9.446 1.00 0.00 N ATOM 373 CA ILE A 24 -4.183 -15.457 -10.742 1.00 0.00 C ATOM 374 C ILE A 24 -3.097 -15.917 -11.722 1.00 0.00 C ATOM 375 O ILE A 24 -1.962 -15.468 -11.572 1.00 0.00 O ATOM 376 CB ILE A 24 -4.515 -13.952 -10.928 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.220 -13.267 -9.734 1.00 0.00 C ATOM 378 CG2 ILE A 24 -5.316 -13.799 -12.222 1.00 0.00 C ATOM 379 CD1 ILE A 24 -5.377 -11.748 -9.876 1.00 0.00 C ATOM 0 H ILE A 24 -2.574 -15.589 -9.442 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.132 -15.975 -10.884 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.564 -13.422 -10.985 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.207 -13.712 -9.607 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.656 -13.478 -8.825 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.562 -12.748 -12.376 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.722 -14.159 -13.062 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.235 -14.380 -12.152 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.881 -11.350 -8.995 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.393 -11.288 -9.970 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.968 -11.525 -10.764 1.00 0.00 H new ATOM 391 N PRO A 25 -3.373 -16.789 -12.704 1.00 0.00 N ATOM 392 CA PRO A 25 -2.348 -17.192 -13.657 1.00 0.00 C ATOM 393 C PRO A 25 -1.935 -15.977 -14.500 1.00 0.00 C ATOM 394 O PRO A 25 -2.770 -15.123 -14.810 1.00 0.00 O ATOM 395 CB PRO A 25 -2.982 -18.330 -14.462 1.00 0.00 C ATOM 396 CG PRO A 25 -4.481 -18.038 -14.392 1.00 0.00 C ATOM 397 CD PRO A 25 -4.652 -17.408 -13.009 1.00 0.00 C ATOM 0 HA PRO A 25 -1.424 -17.546 -13.199 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.624 -18.339 -15.492 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.744 -19.304 -14.033 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.796 -17.360 -15.185 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.073 -18.947 -14.496 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.455 -16.671 -13.010 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.911 -18.160 -12.264 1.00 0.00 H new ATOM 405 N LEU A 26 -0.653 -15.889 -14.874 1.00 0.00 N ATOM 406 CA LEU A 26 -0.046 -14.698 -15.486 1.00 0.00 C ATOM 407 C LEU A 26 -0.826 -14.145 -16.691 1.00 0.00 C ATOM 408 O LEU A 26 -0.934 -12.929 -16.853 1.00 0.00 O ATOM 409 CB LEU A 26 1.415 -15.018 -15.857 1.00 0.00 C ATOM 410 CG LEU A 26 2.225 -13.839 -16.441 1.00 0.00 C ATOM 411 CD1 LEU A 26 2.169 -12.580 -15.567 1.00 0.00 C ATOM 412 CD2 LEU A 26 3.691 -14.266 -16.590 1.00 0.00 C ATOM 0 H LEU A 26 0.006 -16.659 -14.758 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.080 -13.898 -14.747 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.927 -15.382 -14.966 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.418 -15.833 -16.581 1.00 0.00 H new ATOM 0 HG LEU A 26 1.778 -13.590 -17.403 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.757 -11.788 -16.031 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.134 -12.252 -15.467 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.576 -12.803 -14.581 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.271 -13.440 -17.002 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.091 -14.539 -15.614 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.754 -15.123 -17.261 1.00 0.00 H new ATOM 424 N LYS A 27 -1.414 -15.021 -17.511 1.00 0.00 N ATOM 425 CA LYS A 27 -2.251 -14.636 -18.644 1.00 0.00 C ATOM 426 C LYS A 27 -3.410 -13.741 -18.194 1.00 0.00 C ATOM 427 O LYS A 27 -3.695 -12.743 -18.855 1.00 0.00 O ATOM 428 CB LYS A 27 -2.749 -15.911 -19.348 1.00 0.00 C ATOM 429 CG LYS A 27 -3.576 -15.604 -20.605 1.00 0.00 C ATOM 430 CD LYS A 27 -3.969 -16.894 -21.338 1.00 0.00 C ATOM 431 CE LYS A 27 -4.799 -16.559 -22.585 1.00 0.00 C ATOM 432 NZ LYS A 27 -5.206 -17.776 -23.332 1.00 0.00 N ATOM 0 H LYS A 27 -1.319 -16.031 -17.402 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.665 -14.049 -19.352 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.894 -16.529 -19.622 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.353 -16.494 -18.653 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.474 -15.052 -20.327 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.002 -14.963 -21.274 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.074 -17.446 -21.625 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.542 -17.540 -20.673 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.688 -16.002 -22.289 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.220 -15.909 -23.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.764 -17.501 -24.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.358 -18.295 -23.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.781 -18.385 -22.716 1.00 0.00 H new ATOM 446 N GLU A 28 -4.066 -14.077 -17.080 1.00 0.00 N ATOM 447 CA GLU A 28 -5.138 -13.261 -16.528 1.00 0.00 C ATOM 448 C GLU A 28 -4.580 -12.032 -15.825 1.00 0.00 C ATOM 449 O GLU A 28 -5.175 -10.970 -15.965 1.00 0.00 O ATOM 450 CB GLU A 28 -6.020 -14.066 -15.560 1.00 0.00 C ATOM 451 CG GLU A 28 -7.349 -14.467 -16.205 1.00 0.00 C ATOM 452 CD GLU A 28 -8.209 -15.313 -15.250 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.596 -14.806 -14.173 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.524 -16.479 -15.584 1.00 0.00 O ATOM 0 H GLU A 28 -3.866 -14.920 -16.541 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.758 -12.937 -17.363 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.486 -14.961 -15.240 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.214 -13.473 -14.666 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.899 -13.571 -16.494 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.156 -15.031 -17.118 1.00 0.00 H new ATOM 461 N VAL A 29 -3.456 -12.137 -15.105 1.00 0.00 N ATOM 462 CA VAL A 29 -2.874 -11.026 -14.330 1.00 0.00 C ATOM 463 C VAL A 29 -2.770 -9.764 -15.186 1.00 0.00 C ATOM 464 O VAL A 29 -3.096 -8.677 -14.713 1.00 0.00 O ATOM 465 CB VAL A 29 -1.493 -11.424 -13.756 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.723 -10.274 -13.087 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.634 -12.526 -12.706 1.00 0.00 C ATOM 0 H VAL A 29 -2.918 -13.001 -15.041 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.537 -10.809 -13.492 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.931 -11.755 -14.629 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.232 -10.644 -12.714 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.546 -9.482 -13.815 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.308 -9.879 -12.257 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.649 -12.787 -12.318 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.263 -12.172 -11.889 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.090 -13.405 -13.161 1.00 0.00 H new ATOM 477 N LYS A 30 -2.383 -9.898 -16.456 1.00 0.00 N ATOM 478 CA LYS A 30 -2.166 -8.765 -17.349 1.00 0.00 C ATOM 479 C LYS A 30 -3.425 -7.929 -17.625 1.00 0.00 C ATOM 480 O LYS A 30 -3.311 -6.840 -18.184 1.00 0.00 O ATOM 481 CB LYS A 30 -1.507 -9.294 -18.637 1.00 0.00 C ATOM 482 CG LYS A 30 -0.549 -8.258 -19.243 1.00 0.00 C ATOM 483 CD LYS A 30 0.015 -8.672 -20.612 1.00 0.00 C ATOM 484 CE LYS A 30 0.837 -9.969 -20.561 1.00 0.00 C ATOM 485 NZ LYS A 30 1.381 -10.336 -21.894 1.00 0.00 N ATOM 0 H LYS A 30 -2.211 -10.803 -16.894 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.502 -8.057 -16.853 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.961 -10.212 -18.418 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.278 -9.548 -19.364 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.073 -7.308 -19.347 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.278 -8.092 -18.553 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.809 -8.799 -21.314 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.641 -7.868 -20.998 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.658 -9.850 -19.854 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.211 -10.780 -20.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.929 -11.217 -21.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.597 -10.475 -22.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.999 -9.574 -22.239 1.00 0.00 H new ATOM 499 N GLU A 31 -4.608 -8.385 -17.213 1.00 0.00 N ATOM 500 CA GLU A 31 -5.826 -7.580 -17.211 1.00 0.00 C ATOM 501 C GLU A 31 -6.414 -7.546 -15.800 1.00 0.00 C ATOM 502 O GLU A 31 -6.754 -6.482 -15.288 1.00 0.00 O ATOM 503 CB GLU A 31 -6.840 -8.134 -18.226 1.00 0.00 C ATOM 504 CG GLU A 31 -6.360 -7.994 -19.678 1.00 0.00 C ATOM 505 CD GLU A 31 -7.437 -8.458 -20.675 1.00 0.00 C ATOM 506 OE1 GLU A 31 -8.265 -7.627 -21.116 1.00 0.00 O ATOM 507 OE2 GLU A 31 -7.461 -9.653 -21.047 1.00 0.00 O ATOM 0 H GLU A 31 -4.747 -9.335 -16.868 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.586 -6.560 -17.511 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.028 -9.186 -18.009 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.789 -7.610 -18.109 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.101 -6.954 -19.878 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.453 -8.582 -19.821 1.00 0.00 H new ATOM 514 N ARG A 32 -6.485 -8.700 -15.136 1.00 0.00 N ATOM 515 CA ARG A 32 -7.139 -8.873 -13.845 1.00 0.00 C ATOM 516 C ARG A 32 -6.406 -8.160 -12.711 1.00 0.00 C ATOM 517 O ARG A 32 -7.039 -7.869 -11.697 1.00 0.00 O ATOM 518 CB ARG A 32 -7.333 -10.374 -13.569 1.00 0.00 C ATOM 519 CG ARG A 32 -8.320 -10.640 -12.420 1.00 0.00 C ATOM 520 CD ARG A 32 -8.709 -12.122 -12.383 1.00 0.00 C ATOM 521 NE ARG A 32 -9.361 -12.491 -11.116 1.00 0.00 N ATOM 522 CZ ARG A 32 -9.642 -13.744 -10.733 1.00 0.00 C ATOM 523 NH1 ARG A 32 -9.408 -14.775 -11.541 1.00 0.00 N ATOM 524 NH2 ARG A 32 -10.161 -13.960 -9.528 1.00 0.00 N ATOM 0 H ARG A 32 -6.076 -9.563 -15.494 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.119 -8.397 -13.889 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.694 -10.863 -14.474 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.370 -10.823 -13.327 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.869 -10.352 -11.470 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.212 -10.026 -12.548 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.380 -12.341 -13.213 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.818 -12.734 -12.524 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.619 -11.735 -10.481 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.009 -14.617 -12.466 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.627 -15.723 -11.235 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.342 -13.175 -8.903 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.378 -14.911 -9.229 1.00 0.00 H new ATOM 538 N ILE A 33 -5.115 -7.826 -12.853 1.00 0.00 N ATOM 539 CA ILE A 33 -4.448 -6.992 -11.854 1.00 0.00 C ATOM 540 C ILE A 33 -5.193 -5.661 -11.738 1.00 0.00 C ATOM 541 O ILE A 33 -5.366 -5.176 -10.626 1.00 0.00 O ATOM 542 CB ILE A 33 -2.937 -6.800 -12.134 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.187 -6.261 -10.897 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.664 -5.804 -13.263 1.00 0.00 C ATOM 545 CD1 ILE A 33 -1.965 -7.350 -9.843 1.00 0.00 C ATOM 0 H ILE A 33 -4.526 -8.115 -13.634 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.488 -7.508 -10.895 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.584 -7.793 -12.411 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.224 -5.853 -11.206 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.755 -5.441 -10.457 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.589 -5.711 -13.414 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.130 -6.159 -14.182 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.079 -4.831 -12.998 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.434 -6.928 -8.990 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.928 -7.740 -9.514 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.374 -8.158 -10.274 1.00 0.00 H new ATOM 557 N ALA A 34 -5.701 -5.100 -12.844 1.00 0.00 N ATOM 558 CA ALA A 34 -6.449 -3.847 -12.792 1.00 0.00 C ATOM 559 C ALA A 34 -7.695 -3.956 -11.901 1.00 0.00 C ATOM 560 O ALA A 34 -8.098 -2.971 -11.289 1.00 0.00 O ATOM 561 CB ALA A 34 -6.834 -3.390 -14.202 1.00 0.00 C ATOM 0 H ALA A 34 -5.606 -5.496 -13.779 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.795 -3.098 -12.345 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.391 -2.455 -14.142 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.932 -3.238 -14.794 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.454 -4.152 -14.675 1.00 0.00 H new ATOM 567 N THR A 35 -8.289 -5.143 -11.793 1.00 0.00 N ATOM 568 CA THR A 35 -9.456 -5.405 -10.958 1.00 0.00 C ATOM 569 C THR A 35 -9.096 -5.396 -9.457 1.00 0.00 C ATOM 570 O THR A 35 -9.977 -5.182 -8.621 1.00 0.00 O ATOM 571 CB THR A 35 -10.086 -6.750 -11.391 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.028 -6.897 -12.804 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.555 -6.869 -10.970 1.00 0.00 C ATOM 0 H THR A 35 -7.963 -5.968 -12.296 1.00 0.00 H new ATOM 0 HA THR A 35 -10.186 -4.608 -11.098 1.00 0.00 H new ATOM 0 HB THR A 35 -9.508 -7.529 -10.894 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.429 -7.754 -13.061 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.951 -7.830 -11.297 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.630 -6.796 -9.885 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.131 -6.065 -11.428 1.00 0.00 H new ATOM 581 N ALA A 36 -7.818 -5.594 -9.098 1.00 0.00 N ATOM 582 CA ALA A 36 -7.361 -5.770 -7.717 1.00 0.00 C ATOM 583 C ALA A 36 -6.401 -4.658 -7.263 1.00 0.00 C ATOM 584 O ALA A 36 -6.256 -4.429 -6.062 1.00 0.00 O ATOM 585 CB ALA A 36 -6.684 -7.143 -7.602 1.00 0.00 C ATOM 0 H ALA A 36 -7.059 -5.637 -9.778 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.228 -5.711 -7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.336 -7.293 -6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.399 -7.924 -7.860 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.835 -7.188 -8.284 1.00 0.00 H new ATOM 591 N VAL A 37 -5.768 -3.960 -8.208 1.00 0.00 N ATOM 592 CA VAL A 37 -4.722 -2.962 -8.007 1.00 0.00 C ATOM 593 C VAL A 37 -4.950 -1.807 -9.008 1.00 0.00 C ATOM 594 O VAL A 37 -4.049 -1.474 -9.781 1.00 0.00 O ATOM 595 CB VAL A 37 -3.328 -3.621 -8.194 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.206 -2.761 -7.602 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.204 -5.044 -7.628 1.00 0.00 C ATOM 0 H VAL A 37 -5.988 -4.087 -9.196 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.759 -2.559 -6.995 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.223 -3.694 -9.276 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.248 -3.258 -7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.193 -1.789 -8.096 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.378 -2.623 -6.534 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.196 -5.420 -7.806 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.401 -5.028 -6.556 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.926 -5.695 -8.120 1.00 0.00 H new ATOM 607 N PRO A 38 -6.154 -1.206 -9.092 1.00 0.00 N ATOM 608 CA PRO A 38 -6.406 -0.199 -10.114 1.00 0.00 C ATOM 609 C PRO A 38 -5.542 1.053 -9.898 1.00 0.00 C ATOM 610 O PRO A 38 -5.184 1.729 -10.865 1.00 0.00 O ATOM 611 CB PRO A 38 -7.902 0.129 -10.022 1.00 0.00 C ATOM 612 CG PRO A 38 -8.273 -0.254 -8.588 1.00 0.00 C ATOM 613 CD PRO A 38 -7.339 -1.423 -8.278 1.00 0.00 C ATOM 0 HA PRO A 38 -6.143 -0.570 -11.105 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.093 1.185 -10.216 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.481 -0.439 -10.750 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.120 0.576 -7.898 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.320 -0.545 -8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.086 -1.452 -7.218 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.811 -2.376 -8.519 1.00 0.00 H new ATOM 621 N ASP A 39 -5.192 1.363 -8.643 1.00 0.00 N ATOM 622 CA ASP A 39 -4.210 2.390 -8.316 1.00 0.00 C ATOM 623 C ASP A 39 -2.811 1.805 -8.513 1.00 0.00 C ATOM 624 O ASP A 39 -2.328 1.024 -7.690 1.00 0.00 O ATOM 625 CB ASP A 39 -4.393 2.901 -6.881 1.00 0.00 C ATOM 626 CG ASP A 39 -3.315 3.930 -6.486 1.00 0.00 C ATOM 627 OD1 ASP A 39 -2.557 4.409 -7.360 1.00 0.00 O ATOM 628 OD2 ASP A 39 -3.252 4.288 -5.288 1.00 0.00 O ATOM 0 H ASP A 39 -5.589 0.902 -7.824 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.349 3.246 -8.977 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.379 3.355 -6.782 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.359 2.059 -6.190 1.00 0.00 H new ATOM 633 N LYS A 40 -2.158 2.191 -9.611 1.00 0.00 N ATOM 634 CA LYS A 40 -0.820 1.730 -9.986 1.00 0.00 C ATOM 635 C LYS A 40 0.254 2.015 -8.927 1.00 0.00 C ATOM 636 O LYS A 40 1.324 1.408 -9.002 1.00 0.00 O ATOM 637 CB LYS A 40 -0.441 2.354 -11.340 1.00 0.00 C ATOM 638 CG LYS A 40 -1.284 1.761 -12.482 1.00 0.00 C ATOM 639 CD LYS A 40 -0.737 2.139 -13.865 1.00 0.00 C ATOM 640 CE LYS A 40 -1.676 1.608 -14.957 1.00 0.00 C ATOM 641 NZ LYS A 40 -1.147 1.845 -16.323 1.00 0.00 N ATOM 0 H LYS A 40 -2.555 2.850 -10.281 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.859 0.644 -10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.587 3.433 -11.299 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.617 2.183 -11.539 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.308 0.675 -12.387 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.312 2.112 -12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.645 3.222 -13.946 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.262 1.723 -13.997 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.831 0.539 -14.811 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.650 2.087 -14.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.884 1.626 -17.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.864 2.841 -16.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.321 1.234 -16.486 1.00 0.00 H new ATOM 655 N ASN A 41 -0.001 2.915 -7.968 1.00 0.00 N ATOM 656 CA ASN A 41 0.943 3.235 -6.900 1.00 0.00 C ATOM 657 C ASN A 41 1.078 2.106 -5.873 1.00 0.00 C ATOM 658 O ASN A 41 2.090 2.046 -5.176 1.00 0.00 O ATOM 659 CB ASN A 41 0.506 4.523 -6.189 1.00 0.00 C ATOM 660 CG ASN A 41 1.539 4.985 -5.165 1.00 0.00 C ATOM 661 OD1 ASN A 41 2.630 5.417 -5.525 1.00 0.00 O ATOM 662 ND2 ASN A 41 1.218 4.938 -3.881 1.00 0.00 N ATOM 0 H ASN A 41 -0.873 3.441 -7.915 1.00 0.00 H new ATOM 0 HA ASN A 41 1.919 3.370 -7.366 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.349 5.310 -6.927 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.450 4.357 -5.692 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.881 5.263 -3.177 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.308 4.577 -3.596 1.00 0.00 H new ATOM 669 N ASP A 42 0.080 1.224 -5.738 1.00 0.00 N ATOM 670 CA ASP A 42 0.173 0.079 -4.827 1.00 0.00 C ATOM 671 C ASP A 42 1.263 -0.866 -5.337 1.00 0.00 C ATOM 672 O ASP A 42 1.267 -1.219 -6.519 1.00 0.00 O ATOM 673 CB ASP A 42 -1.164 -0.672 -4.718 1.00 0.00 C ATOM 674 CG ASP A 42 -1.968 -0.252 -3.482 1.00 0.00 C ATOM 675 OD1 ASP A 42 -1.510 -0.534 -2.353 1.00 0.00 O ATOM 676 OD2 ASP A 42 -3.045 0.370 -3.628 1.00 0.00 O ATOM 0 H ASP A 42 -0.801 1.282 -6.249 1.00 0.00 H new ATOM 0 HA ASP A 42 0.422 0.445 -3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.756 -0.487 -5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.974 -1.744 -4.678 1.00 0.00 H new ATOM 681 N THR A 43 2.177 -1.287 -4.458 1.00 0.00 N ATOM 682 CA THR A 43 3.203 -2.269 -4.791 1.00 0.00 C ATOM 683 C THR A 43 2.532 -3.604 -5.124 1.00 0.00 C ATOM 684 O THR A 43 1.519 -3.964 -4.520 1.00 0.00 O ATOM 685 CB THR A 43 4.212 -2.412 -3.628 1.00 0.00 C ATOM 686 OG1 THR A 43 4.628 -1.144 -3.161 1.00 0.00 O ATOM 687 CG2 THR A 43 5.455 -3.231 -3.993 1.00 0.00 C ATOM 0 H THR A 43 2.223 -0.954 -3.495 1.00 0.00 H new ATOM 0 HA THR A 43 3.763 -1.935 -5.665 1.00 0.00 H new ATOM 0 HB THR A 43 3.676 -2.951 -2.847 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.983 -0.810 -2.503 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.118 -3.290 -3.130 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.154 -4.236 -4.289 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.977 -2.750 -4.820 1.00 0.00 H new ATOM 695 N VAL A 44 3.146 -4.381 -6.015 1.00 0.00 N ATOM 696 CA VAL A 44 2.765 -5.759 -6.275 1.00 0.00 C ATOM 697 C VAL A 44 4.039 -6.582 -6.154 1.00 0.00 C ATOM 698 O VAL A 44 5.065 -6.218 -6.731 1.00 0.00 O ATOM 699 CB VAL A 44 2.105 -5.904 -7.663 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.517 -7.314 -7.812 1.00 0.00 C ATOM 701 CG2 VAL A 44 0.970 -4.892 -7.887 1.00 0.00 C ATOM 0 H VAL A 44 3.932 -4.062 -6.582 1.00 0.00 H new ATOM 0 HA VAL A 44 2.018 -6.108 -5.562 1.00 0.00 H new ATOM 0 HB VAL A 44 2.885 -5.717 -8.401 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.052 -7.413 -8.793 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.312 -8.052 -7.712 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.768 -7.480 -7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.542 -5.039 -8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.197 -5.039 -7.133 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.365 -3.879 -7.809 1.00 0.00 H new ATOM 711 N LYS A 45 3.964 -7.675 -5.397 1.00 0.00 N ATOM 712 CA LYS A 45 5.053 -8.608 -5.156 1.00 0.00 C ATOM 713 C LYS A 45 4.663 -9.902 -5.844 1.00 0.00 C ATOM 714 O LYS A 45 3.916 -10.715 -5.293 1.00 0.00 O ATOM 715 CB LYS A 45 5.308 -8.747 -3.645 1.00 0.00 C ATOM 716 CG LYS A 45 5.911 -7.437 -3.121 1.00 0.00 C ATOM 717 CD LYS A 45 6.340 -7.506 -1.652 1.00 0.00 C ATOM 718 CE LYS A 45 7.200 -6.274 -1.331 1.00 0.00 C ATOM 719 NZ LYS A 45 7.496 -6.145 0.116 1.00 0.00 N ATOM 0 H LYS A 45 3.105 -7.942 -4.917 1.00 0.00 H new ATOM 0 HA LYS A 45 6.003 -8.266 -5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.376 -8.968 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.986 -9.578 -3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.775 -7.174 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.181 -6.637 -3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.464 -7.535 -1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.904 -8.420 -1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.137 -6.335 -1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.685 -5.377 -1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.293 -5.491 0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.659 -5.776 0.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.744 -7.077 0.504 1.00 0.00 H new ATOM 733 N VAL A 46 5.067 -10.032 -7.103 1.00 0.00 N ATOM 734 CA VAL A 46 4.750 -11.211 -7.895 1.00 0.00 C ATOM 735 C VAL A 46 5.633 -12.373 -7.426 1.00 0.00 C ATOM 736 O VAL A 46 6.816 -12.167 -7.130 1.00 0.00 O ATOM 737 CB VAL A 46 4.886 -10.905 -9.402 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.733 -10.006 -9.873 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.209 -10.226 -9.787 1.00 0.00 C ATOM 0 H VAL A 46 5.618 -9.330 -7.598 1.00 0.00 H new ATOM 0 HA VAL A 46 3.711 -11.506 -7.747 1.00 0.00 H new ATOM 0 HB VAL A 46 4.860 -11.878 -9.893 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.844 -9.800 -10.938 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.783 -10.511 -9.698 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.753 -9.068 -9.318 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.226 -10.045 -10.862 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.298 -9.277 -9.258 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.043 -10.873 -9.515 1.00 0.00 H new ATOM 749 N TYR A 47 5.084 -13.592 -7.396 1.00 0.00 N ATOM 750 CA TYR A 47 5.843 -14.822 -7.176 1.00 0.00 C ATOM 751 C TYR A 47 5.253 -15.969 -8.005 1.00 0.00 C ATOM 752 O TYR A 47 4.160 -15.834 -8.554 1.00 0.00 O ATOM 753 CB TYR A 47 5.938 -15.172 -5.685 1.00 0.00 C ATOM 754 CG TYR A 47 4.749 -15.866 -5.060 1.00 0.00 C ATOM 755 CD1 TYR A 47 3.675 -15.106 -4.564 1.00 0.00 C ATOM 756 CD2 TYR A 47 4.741 -17.268 -4.927 1.00 0.00 C ATOM 757 CE1 TYR A 47 2.599 -15.747 -3.931 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.659 -17.915 -4.312 1.00 0.00 C ATOM 759 CZ TYR A 47 2.587 -17.156 -3.803 1.00 0.00 C ATOM 760 OH TYR A 47 1.542 -17.795 -3.205 1.00 0.00 O ATOM 0 H TYR A 47 4.085 -13.751 -7.526 1.00 0.00 H new ATOM 0 HA TYR A 47 6.865 -14.658 -7.517 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.813 -15.807 -5.542 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.119 -14.250 -5.133 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.678 -14.031 -4.670 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.572 -17.848 -5.300 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.778 -15.163 -3.541 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.648 -18.992 -4.229 1.00 0.00 H new ATOM 0 HH TYR A 47 1.581 -18.752 -3.414 1.00 0.00 H new ATOM 770 N CYS A 48 5.997 -17.069 -8.149 1.00 0.00 N ATOM 771 CA CYS A 48 5.607 -18.277 -8.860 1.00 0.00 C ATOM 772 C CYS A 48 6.323 -19.465 -8.203 1.00 0.00 C ATOM 773 O CYS A 48 6.679 -19.375 -7.029 1.00 0.00 O ATOM 774 CB CYS A 48 5.879 -18.121 -10.369 1.00 0.00 C ATOM 775 SG CYS A 48 7.655 -17.984 -10.721 1.00 0.00 S ATOM 0 H CYS A 48 6.933 -17.139 -7.751 1.00 0.00 H new ATOM 0 HA CYS A 48 4.535 -18.462 -8.787 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.467 -18.977 -10.903 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.365 -17.235 -10.742 1.00 0.00 H new ATOM 0 HG CYS A 48 8.093 -16.835 -10.301 1.00 0.00 H new ATOM 781 N ASN A 49 6.540 -20.579 -8.912 1.00 0.00 N ATOM 782 CA ASN A 49 7.171 -21.766 -8.325 1.00 0.00 C ATOM 783 C ASN A 49 8.628 -21.492 -7.927 1.00 0.00 C ATOM 784 O ASN A 49 8.999 -21.729 -6.776 1.00 0.00 O ATOM 785 CB ASN A 49 7.080 -22.952 -9.301 1.00 0.00 C ATOM 786 CG ASN A 49 7.652 -24.230 -8.686 1.00 0.00 C ATOM 787 OD1 ASN A 49 8.861 -24.405 -8.591 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.804 -25.154 -8.268 1.00 0.00 N ATOM 0 H ASN A 49 6.287 -20.683 -9.895 1.00 0.00 H new ATOM 0 HA ASN A 49 6.630 -22.021 -7.414 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.039 -23.116 -9.580 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.622 -22.714 -10.216 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.154 -26.022 -7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.799 -24.999 -8.351 1.00 0.00 H new ATOM 795 N ALA A 50 9.433 -20.948 -8.853 1.00 0.00 N ATOM 796 CA ALA A 50 10.889 -20.848 -8.693 1.00 0.00 C ATOM 797 C ALA A 50 11.488 -19.503 -9.140 1.00 0.00 C ATOM 798 O ALA A 50 12.690 -19.298 -8.964 1.00 0.00 O ATOM 799 CB ALA A 50 11.547 -22.008 -9.453 1.00 0.00 C ATOM 0 H ALA A 50 9.091 -20.565 -9.734 1.00 0.00 H new ATOM 0 HA ALA A 50 11.097 -20.908 -7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.630 -21.947 -9.343 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.194 -22.956 -9.047 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.285 -21.946 -10.509 1.00 0.00 H new ATOM 805 N GLY A 51 10.686 -18.585 -9.697 1.00 0.00 N ATOM 806 CA GLY A 51 11.098 -17.208 -9.985 1.00 0.00 C ATOM 807 C GLY A 51 10.997 -16.823 -11.462 1.00 0.00 C ATOM 808 O GLY A 51 11.002 -15.635 -11.780 1.00 0.00 O ATOM 0 H GLY A 51 9.721 -18.782 -9.963 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.482 -16.526 -9.400 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.128 -17.071 -9.654 1.00 0.00 H new ATOM 812 N ARG A 52 10.913 -17.795 -12.381 1.00 0.00 N ATOM 813 CA ARG A 52 10.913 -17.527 -13.824 1.00 0.00 C ATOM 814 C ARG A 52 9.706 -16.681 -14.226 1.00 0.00 C ATOM 815 O ARG A 52 9.866 -15.580 -14.757 1.00 0.00 O ATOM 816 CB ARG A 52 10.973 -18.865 -14.591 1.00 0.00 C ATOM 817 CG ARG A 52 10.840 -18.697 -16.114 1.00 0.00 C ATOM 818 CD ARG A 52 11.069 -20.032 -16.832 1.00 0.00 C ATOM 819 NE ARG A 52 10.933 -19.891 -18.293 1.00 0.00 N ATOM 820 CZ ARG A 52 11.059 -20.882 -19.187 1.00 0.00 C ATOM 821 NH1 ARG A 52 11.328 -22.124 -18.791 1.00 0.00 N ATOM 822 NH2 ARG A 52 10.913 -20.622 -20.482 1.00 0.00 N ATOM 0 H ARG A 52 10.843 -18.785 -12.145 1.00 0.00 H new ATOM 0 HA ARG A 52 11.796 -16.944 -14.086 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.917 -19.362 -14.368 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.177 -19.518 -14.233 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.849 -18.314 -16.357 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.562 -17.961 -16.467 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.064 -20.409 -16.593 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.353 -20.769 -16.469 1.00 0.00 H new ATOM 0 HE ARG A 52 10.725 -18.960 -18.655 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.440 -22.330 -17.798 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.422 -22.870 -19.480 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.706 -19.672 -20.791 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.008 -21.372 -21.167 1.00 0.00 H new ATOM 836 N GLN A 53 8.499 -17.195 -13.982 1.00 0.00 N ATOM 837 CA GLN A 53 7.279 -16.570 -14.481 1.00 0.00 C ATOM 838 C GLN A 53 7.014 -15.262 -13.734 1.00 0.00 C ATOM 839 O GLN A 53 6.536 -14.307 -14.340 1.00 0.00 O ATOM 840 CB GLN A 53 6.122 -17.581 -14.393 1.00 0.00 C ATOM 841 CG GLN A 53 4.861 -17.175 -15.167 1.00 0.00 C ATOM 842 CD GLN A 53 3.971 -18.380 -15.493 1.00 0.00 C ATOM 843 OE1 GLN A 53 4.310 -19.201 -16.342 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.819 -18.532 -14.855 1.00 0.00 N ATOM 0 H GLN A 53 8.343 -18.045 -13.440 1.00 0.00 H new ATOM 0 HA GLN A 53 7.384 -16.298 -15.531 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.469 -18.544 -14.768 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.859 -17.723 -13.345 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.293 -16.453 -14.580 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.149 -16.677 -16.093 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.533 -17.853 -14.149 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.218 -19.328 -15.070 1.00 0.00 H new ATOM 853 N SER A 54 7.372 -15.172 -12.450 1.00 0.00 N ATOM 854 CA SER A 54 7.245 -13.938 -11.690 1.00 0.00 C ATOM 855 C SER A 54 8.278 -12.901 -12.129 1.00 0.00 C ATOM 856 O SER A 54 7.984 -11.708 -12.092 1.00 0.00 O ATOM 857 CB SER A 54 7.347 -14.249 -10.200 1.00 0.00 C ATOM 858 OG SER A 54 8.511 -15.008 -9.922 1.00 0.00 O ATOM 0 H SER A 54 7.756 -15.952 -11.916 1.00 0.00 H new ATOM 0 HA SER A 54 6.267 -13.498 -11.887 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.369 -13.320 -9.631 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.463 -14.799 -9.878 1.00 0.00 H new ATOM 0 HG SER A 54 8.586 -15.150 -8.955 1.00 0.00 H new ATOM 864 N GLY A 55 9.476 -13.318 -12.545 1.00 0.00 N ATOM 865 CA GLY A 55 10.485 -12.414 -13.078 1.00 0.00 C ATOM 866 C GLY A 55 9.955 -11.749 -14.341 1.00 0.00 C ATOM 867 O GLY A 55 9.967 -10.522 -14.451 1.00 0.00 O ATOM 0 H GLY A 55 9.769 -14.295 -12.520 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.740 -11.658 -12.335 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.400 -12.963 -13.300 1.00 0.00 H new ATOM 871 N GLN A 56 9.397 -12.549 -15.256 1.00 0.00 N ATOM 872 CA GLN A 56 8.750 -12.022 -16.448 1.00 0.00 C ATOM 873 C GLN A 56 7.554 -11.139 -16.067 1.00 0.00 C ATOM 874 O GLN A 56 7.375 -10.075 -16.665 1.00 0.00 O ATOM 875 CB GLN A 56 8.354 -13.184 -17.377 1.00 0.00 C ATOM 876 CG GLN A 56 7.760 -12.745 -18.724 1.00 0.00 C ATOM 877 CD GLN A 56 8.683 -11.835 -19.540 1.00 0.00 C ATOM 878 OE1 GLN A 56 9.449 -12.295 -20.382 1.00 0.00 O ATOM 879 NE2 GLN A 56 8.634 -10.530 -19.312 1.00 0.00 N ATOM 0 H GLN A 56 9.384 -13.567 -15.187 1.00 0.00 H new ATOM 0 HA GLN A 56 9.446 -11.385 -16.994 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.234 -13.799 -17.565 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.629 -13.814 -16.862 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.526 -13.632 -19.313 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.819 -12.225 -18.543 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.994 -10.159 -18.610 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.236 -9.897 -19.838 1.00 0.00 H new ATOM 888 N ALA A 57 6.759 -11.542 -15.069 1.00 0.00 N ATOM 889 CA ALA A 57 5.605 -10.780 -14.611 1.00 0.00 C ATOM 890 C ALA A 57 6.000 -9.414 -14.056 1.00 0.00 C ATOM 891 O ALA A 57 5.290 -8.442 -14.311 1.00 0.00 O ATOM 892 CB ALA A 57 4.825 -11.558 -13.551 1.00 0.00 C ATOM 0 H ALA A 57 6.904 -12.412 -14.557 1.00 0.00 H new ATOM 0 HA ALA A 57 4.970 -10.619 -15.482 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.968 -10.969 -13.224 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.477 -12.501 -13.974 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.473 -11.760 -12.698 1.00 0.00 H new ATOM 898 N LYS A 58 7.122 -9.310 -13.328 1.00 0.00 N ATOM 899 CA LYS A 58 7.575 -8.022 -12.809 1.00 0.00 C ATOM 900 C LYS A 58 7.753 -7.057 -13.981 1.00 0.00 C ATOM 901 O LYS A 58 7.306 -5.910 -13.924 1.00 0.00 O ATOM 902 CB LYS A 58 8.853 -8.142 -11.953 1.00 0.00 C ATOM 903 CG LYS A 58 9.547 -6.772 -11.810 1.00 0.00 C ATOM 904 CD LYS A 58 10.555 -6.672 -10.662 1.00 0.00 C ATOM 905 CE LYS A 58 11.382 -5.381 -10.783 1.00 0.00 C ATOM 906 NZ LYS A 58 12.368 -5.425 -11.896 1.00 0.00 N ATOM 0 H LYS A 58 7.724 -10.098 -13.090 1.00 0.00 H new ATOM 0 HA LYS A 58 6.817 -7.630 -12.131 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.600 -8.531 -10.967 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.538 -8.855 -12.412 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.060 -6.542 -12.744 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.783 -6.008 -11.670 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.030 -6.687 -9.707 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.217 -7.538 -10.675 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.709 -4.537 -10.935 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.909 -5.204 -9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.930 -4.550 -11.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.999 -6.242 -11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.865 -5.514 -12.802 1.00 0.00 H new ATOM 920 N GLU A 59 8.407 -7.517 -15.046 1.00 0.00 N ATOM 921 CA GLU A 59 8.760 -6.656 -16.163 1.00 0.00 C ATOM 922 C GLU A 59 7.505 -6.320 -16.969 1.00 0.00 C ATOM 923 O GLU A 59 7.366 -5.190 -17.425 1.00 0.00 O ATOM 924 CB GLU A 59 9.839 -7.324 -17.029 1.00 0.00 C ATOM 925 CG GLU A 59 11.172 -7.523 -16.284 1.00 0.00 C ATOM 926 CD GLU A 59 11.796 -6.201 -15.797 1.00 0.00 C ATOM 927 OE1 GLU A 59 12.333 -5.437 -16.632 1.00 0.00 O ATOM 928 OE2 GLU A 59 11.773 -5.928 -14.575 1.00 0.00 O ATOM 0 H GLU A 59 8.703 -8.487 -15.155 1.00 0.00 H new ATOM 0 HA GLU A 59 9.178 -5.721 -15.790 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.473 -8.292 -17.373 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.013 -6.715 -17.916 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.009 -8.178 -15.428 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.877 -8.030 -16.943 1.00 0.00 H new ATOM 935 N ILE A 60 6.560 -7.258 -17.083 1.00 0.00 N ATOM 936 CA ILE A 60 5.254 -7.034 -17.695 1.00 0.00 C ATOM 937 C ILE A 60 4.517 -5.911 -16.955 1.00 0.00 C ATOM 938 O ILE A 60 4.065 -4.961 -17.592 1.00 0.00 O ATOM 939 CB ILE A 60 4.484 -8.379 -17.720 1.00 0.00 C ATOM 940 CG1 ILE A 60 4.995 -9.249 -18.891 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.960 -8.212 -17.798 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.544 -10.714 -18.820 1.00 0.00 C ATOM 0 H ILE A 60 6.687 -8.212 -16.745 1.00 0.00 H new ATOM 0 HA ILE A 60 5.350 -6.697 -18.727 1.00 0.00 H new ATOM 0 HB ILE A 60 4.682 -8.875 -16.770 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.648 -8.817 -19.830 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.084 -9.215 -18.908 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.487 -9.194 -17.812 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.610 -7.653 -16.930 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.699 -7.671 -18.707 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.942 -11.259 -19.676 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.914 -11.164 -17.899 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.455 -10.761 -18.835 1.00 0.00 H new ATOM 954 N LEU A 61 4.407 -5.978 -15.624 1.00 0.00 N ATOM 955 CA LEU A 61 3.669 -4.964 -14.875 1.00 0.00 C ATOM 956 C LEU A 61 4.402 -3.619 -14.924 1.00 0.00 C ATOM 957 O LEU A 61 3.762 -2.567 -14.990 1.00 0.00 O ATOM 958 CB LEU A 61 3.433 -5.413 -13.426 1.00 0.00 C ATOM 959 CG LEU A 61 2.494 -6.625 -13.256 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.258 -6.877 -11.761 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.145 -6.454 -13.967 1.00 0.00 C ATOM 0 H LEU A 61 4.816 -6.716 -15.051 1.00 0.00 H new ATOM 0 HA LEU A 61 2.694 -4.836 -15.344 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.396 -5.655 -12.976 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.021 -4.574 -12.865 1.00 0.00 H new ATOM 0 HG LEU A 61 2.988 -7.478 -13.722 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.595 -7.733 -11.637 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.210 -7.082 -11.272 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.801 -5.996 -11.311 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.534 -7.342 -13.807 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.630 -5.582 -13.565 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.312 -6.316 -15.035 1.00 0.00 H new ATOM 973 N SER A 62 5.736 -3.639 -14.942 1.00 0.00 N ATOM 974 CA SER A 62 6.539 -2.433 -15.101 1.00 0.00 C ATOM 975 C SER A 62 6.303 -1.806 -16.486 1.00 0.00 C ATOM 976 O SER A 62 6.169 -0.588 -16.591 1.00 0.00 O ATOM 977 CB SER A 62 8.020 -2.762 -14.875 1.00 0.00 C ATOM 978 OG SER A 62 8.218 -3.385 -13.615 1.00 0.00 O ATOM 0 H SER A 62 6.286 -4.493 -14.847 1.00 0.00 H new ATOM 0 HA SER A 62 6.236 -1.698 -14.355 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.375 -3.419 -15.669 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.611 -1.848 -14.929 1.00 0.00 H new ATOM 0 HG SER A 62 8.025 -4.343 -13.690 1.00 0.00 H new ATOM 984 N GLU A 63 6.186 -2.617 -17.542 1.00 0.00 N ATOM 985 CA GLU A 63 5.876 -2.173 -18.898 1.00 0.00 C ATOM 986 C GLU A 63 4.449 -1.606 -18.973 1.00 0.00 C ATOM 987 O GLU A 63 4.217 -0.608 -19.658 1.00 0.00 O ATOM 988 CB GLU A 63 6.104 -3.346 -19.869 1.00 0.00 C ATOM 989 CG GLU A 63 5.813 -2.989 -21.330 1.00 0.00 C ATOM 990 CD GLU A 63 6.237 -4.119 -22.285 1.00 0.00 C ATOM 991 OE1 GLU A 63 5.416 -5.018 -22.578 1.00 0.00 O ATOM 992 OE2 GLU A 63 7.388 -4.107 -22.778 1.00 0.00 O ATOM 0 H GLU A 63 6.308 -3.627 -17.472 1.00 0.00 H new ATOM 0 HA GLU A 63 6.539 -1.359 -19.189 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.137 -3.684 -19.784 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.470 -4.182 -19.573 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.748 -2.790 -21.451 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.341 -2.072 -21.593 1.00 0.00 H new ATOM 999 N MET A 64 3.508 -2.178 -18.212 1.00 0.00 N ATOM 1000 CA MET A 64 2.160 -1.636 -18.007 1.00 0.00 C ATOM 1001 C MET A 64 2.172 -0.343 -17.170 1.00 0.00 C ATOM 1002 O MET A 64 1.113 0.244 -16.933 1.00 0.00 O ATOM 1003 CB MET A 64 1.260 -2.701 -17.355 1.00 0.00 C ATOM 1004 CG MET A 64 0.970 -3.884 -18.285 1.00 0.00 C ATOM 1005 SD MET A 64 0.330 -5.366 -17.456 1.00 0.00 S ATOM 1006 CE MET A 64 -1.190 -4.741 -16.693 1.00 0.00 C ATOM 0 H MET A 64 3.667 -3.051 -17.710 1.00 0.00 H new ATOM 0 HA MET A 64 1.756 -1.374 -18.985 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.738 -3.068 -16.447 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.318 -2.241 -17.056 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.249 -3.567 -19.039 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.887 -4.147 -18.812 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.845 -5.577 -16.448 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.942 -4.196 -15.782 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.699 -4.074 -17.389 1.00 0.00 H new ATOM 1016 N GLY A 65 3.338 0.124 -16.716 1.00 0.00 N ATOM 1017 CA GLY A 65 3.501 1.413 -16.065 1.00 0.00 C ATOM 1018 C GLY A 65 3.096 1.394 -14.595 1.00 0.00 C ATOM 1019 O GLY A 65 2.841 2.461 -14.037 1.00 0.00 O ATOM 0 H GLY A 65 4.210 -0.400 -16.796 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.542 1.725 -16.145 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.904 2.158 -16.591 1.00 0.00 H new ATOM 1023 N TYR A 66 2.998 0.219 -13.961 1.00 0.00 N ATOM 1024 CA TYR A 66 2.762 0.135 -12.524 1.00 0.00 C ATOM 1025 C TYR A 66 4.005 0.705 -11.844 1.00 0.00 C ATOM 1026 O TYR A 66 5.119 0.228 -12.071 1.00 0.00 O ATOM 1027 CB TYR A 66 2.409 -1.298 -12.091 1.00 0.00 C ATOM 1028 CG TYR A 66 0.967 -1.685 -12.399 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.488 -1.676 -13.726 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.080 -2.000 -11.349 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -0.873 -1.894 -13.999 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -1.277 -2.257 -11.620 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.769 -2.162 -12.941 1.00 0.00 C ATOM 1034 OH TYR A 66 -3.102 -2.311 -13.185 1.00 0.00 O ATOM 0 H TYR A 66 3.079 -0.685 -14.426 1.00 0.00 H new ATOM 0 HA TYR A 66 1.892 0.719 -12.223 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.080 -1.997 -12.591 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.584 -1.400 -11.020 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.175 -1.500 -14.541 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.443 -2.044 -10.333 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.233 -1.857 -15.016 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.945 -2.528 -10.815 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.570 -2.492 -12.343 1.00 0.00 H new ATOM 1044 N THR A 67 3.828 1.773 -11.068 1.00 0.00 N ATOM 1045 CA THR A 67 4.924 2.585 -10.555 1.00 0.00 C ATOM 1046 C THR A 67 5.636 1.923 -9.369 1.00 0.00 C ATOM 1047 O THR A 67 6.756 2.315 -9.034 1.00 0.00 O ATOM 1048 CB THR A 67 4.381 3.986 -10.224 1.00 0.00 C ATOM 1049 OG1 THR A 67 3.214 3.892 -9.432 1.00 0.00 O ATOM 1050 CG2 THR A 67 3.994 4.733 -11.506 1.00 0.00 C ATOM 0 H THR A 67 2.907 2.101 -10.776 1.00 0.00 H new ATOM 0 HA THR A 67 5.694 2.679 -11.320 1.00 0.00 H new ATOM 0 HB THR A 67 5.169 4.518 -9.691 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.883 4.792 -9.229 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.612 5.721 -11.250 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.871 4.837 -12.145 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.223 4.172 -12.035 1.00 0.00 H new ATOM 1058 N HIS A 68 5.030 0.893 -8.770 1.00 0.00 N ATOM 1059 CA HIS A 68 5.630 0.072 -7.733 1.00 0.00 C ATOM 1060 C HIS A 68 5.372 -1.388 -8.102 1.00 0.00 C ATOM 1061 O HIS A 68 4.235 -1.857 -8.065 1.00 0.00 O ATOM 1062 CB HIS A 68 5.038 0.417 -6.358 1.00 0.00 C ATOM 1063 CG HIS A 68 5.493 1.732 -5.775 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.317 1.886 -4.681 1.00 0.00 N ATOM 1065 CD2 HIS A 68 5.133 2.989 -6.186 1.00 0.00 C ATOM 1066 CE1 HIS A 68 6.459 3.200 -4.446 1.00 0.00 C ATOM 1067 NE2 HIS A 68 5.762 3.920 -5.346 1.00 0.00 N ATOM 0 H HIS A 68 4.080 0.605 -9.006 1.00 0.00 H new ATOM 0 HA HIS A 68 6.702 0.256 -7.666 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.951 0.431 -6.441 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.294 -0.380 -5.660 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.479 3.222 -7.013 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.050 3.621 -3.646 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.703 4.937 -5.405 1.00 0.00 H new ATOM 1075 N VAL A 69 6.433 -2.111 -8.451 1.00 0.00 N ATOM 1076 CA VAL A 69 6.419 -3.545 -8.704 1.00 0.00 C ATOM 1077 C VAL A 69 7.718 -4.075 -8.105 1.00 0.00 C ATOM 1078 O VAL A 69 8.750 -3.398 -8.149 1.00 0.00 O ATOM 1079 CB VAL A 69 6.336 -3.852 -10.219 1.00 0.00 C ATOM 1080 CG1 VAL A 69 6.246 -5.366 -10.474 1.00 0.00 C ATOM 1081 CG2 VAL A 69 5.128 -3.193 -10.901 1.00 0.00 C ATOM 0 H VAL A 69 7.358 -1.698 -8.569 1.00 0.00 H new ATOM 0 HA VAL A 69 5.545 -4.020 -8.258 1.00 0.00 H new ATOM 0 HB VAL A 69 7.251 -3.439 -10.645 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.189 -5.552 -11.547 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.130 -5.857 -10.067 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.355 -5.764 -9.989 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.126 -3.446 -11.961 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.208 -3.554 -10.440 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.191 -2.111 -10.786 1.00 0.00 H new ATOM 1091 N GLU A 70 7.676 -5.285 -7.563 1.00 0.00 N ATOM 1092 CA GLU A 70 8.825 -5.976 -7.023 1.00 0.00 C ATOM 1093 C GLU A 70 8.649 -7.465 -7.331 1.00 0.00 C ATOM 1094 O GLU A 70 7.527 -7.964 -7.452 1.00 0.00 O ATOM 1095 CB GLU A 70 8.908 -5.658 -5.521 1.00 0.00 C ATOM 1096 CG GLU A 70 10.034 -6.383 -4.780 1.00 0.00 C ATOM 1097 CD GLU A 70 11.431 -6.003 -5.304 1.00 0.00 C ATOM 1098 OE1 GLU A 70 11.830 -6.512 -6.376 1.00 0.00 O ATOM 1099 OE2 GLU A 70 12.139 -5.207 -4.644 1.00 0.00 O ATOM 0 H GLU A 70 6.813 -5.823 -7.488 1.00 0.00 H new ATOM 0 HA GLU A 70 9.769 -5.659 -7.466 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.042 -4.583 -5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.958 -5.917 -5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.973 -6.149 -3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.894 -7.459 -4.878 1.00 0.00 H new ATOM 1106 N ASN A 71 9.764 -8.176 -7.475 1.00 0.00 N ATOM 1107 CA ASN A 71 9.773 -9.608 -7.708 1.00 0.00 C ATOM 1108 C ASN A 71 10.156 -10.279 -6.399 1.00 0.00 C ATOM 1109 O ASN A 71 11.278 -10.094 -5.922 1.00 0.00 O ATOM 1110 CB ASN A 71 10.772 -9.975 -8.810 1.00 0.00 C ATOM 1111 CG ASN A 71 10.753 -11.480 -8.996 1.00 0.00 C ATOM 1112 OD1 ASN A 71 9.705 -11.980 -9.622 1.00 0.00 O flip ATOM 1113 ND2 ASN A 71 11.635 -12.199 -8.543 1.00 0.00 N flip ATOM 0 H ASN A 71 10.696 -7.764 -7.432 1.00 0.00 H new ATOM 0 HA ASN A 71 8.790 -9.943 -8.039 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.508 -9.475 -9.742 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.773 -9.639 -8.540 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.434 -11.785 -8.063 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.570 -13.212 -8.645 1.00 0.00 H new ATOM 1120 N ALA A 72 9.225 -11.023 -5.796 1.00 0.00 N ATOM 1121 CA ALA A 72 9.505 -11.686 -4.531 1.00 0.00 C ATOM 1122 C ALA A 72 10.450 -12.874 -4.730 1.00 0.00 C ATOM 1123 O ALA A 72 11.294 -13.132 -3.872 1.00 0.00 O ATOM 1124 CB ALA A 72 8.203 -12.137 -3.873 1.00 0.00 C ATOM 0 H ALA A 72 8.285 -11.177 -6.161 1.00 0.00 H new ATOM 0 HA ALA A 72 10.001 -10.973 -3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.425 -12.632 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.569 -11.270 -3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.684 -12.832 -4.533 1.00 0.00 H new ATOM 1130 N GLY A 73 10.312 -13.588 -5.851 1.00 0.00 N ATOM 1131 CA GLY A 73 11.098 -14.766 -6.178 1.00 0.00 C ATOM 1132 C GLY A 73 10.146 -15.877 -6.584 1.00 0.00 C ATOM 1133 O GLY A 73 9.160 -15.630 -7.289 1.00 0.00 O ATOM 0 H GLY A 73 9.630 -13.350 -6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.792 -14.546 -6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.696 -15.073 -5.320 1.00 0.00 H new ATOM 1137 N GLY A 74 10.416 -17.088 -6.101 1.00 0.00 N ATOM 1138 CA GLY A 74 9.510 -18.215 -6.206 1.00 0.00 C ATOM 1139 C GLY A 74 9.319 -18.842 -4.834 1.00 0.00 C ATOM 1140 O GLY A 74 10.182 -18.730 -3.961 1.00 0.00 O ATOM 0 H GLY A 74 11.287 -17.311 -5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.550 -17.887 -6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.909 -18.953 -6.902 1.00 0.00 H new ATOM 1144 N LEU A 75 8.176 -19.498 -4.641 1.00 0.00 N ATOM 1145 CA LEU A 75 7.688 -19.986 -3.356 1.00 0.00 C ATOM 1146 C LEU A 75 8.721 -20.844 -2.625 1.00 0.00 C ATOM 1147 O LEU A 75 8.811 -20.778 -1.400 1.00 0.00 O ATOM 1148 CB LEU A 75 6.403 -20.794 -3.615 1.00 0.00 C ATOM 1149 CG LEU A 75 5.694 -21.313 -2.349 1.00 0.00 C ATOM 1150 CD1 LEU A 75 5.129 -20.174 -1.496 1.00 0.00 C ATOM 1151 CD2 LEU A 75 4.532 -22.211 -2.771 1.00 0.00 C ATOM 0 H LEU A 75 7.540 -19.712 -5.409 1.00 0.00 H new ATOM 0 HA LEU A 75 7.488 -19.133 -2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.706 -20.170 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.649 -21.645 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 75 6.430 -21.855 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.639 -20.588 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.940 -19.516 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.405 -19.606 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.021 -22.586 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.832 -21.638 -3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.913 -23.051 -3.352 1.00 0.00 H new ATOM 1163 N LYS A 76 9.517 -21.617 -3.372 1.00 0.00 N ATOM 1164 CA LYS A 76 10.539 -22.505 -2.820 1.00 0.00 C ATOM 1165 C LYS A 76 11.647 -21.762 -2.063 1.00 0.00 C ATOM 1166 O LYS A 76 12.383 -22.404 -1.313 1.00 0.00 O ATOM 1167 CB LYS A 76 11.139 -23.364 -3.949 1.00 0.00 C ATOM 1168 CG LYS A 76 10.109 -24.332 -4.562 1.00 0.00 C ATOM 1169 CD LYS A 76 10.665 -25.130 -5.751 1.00 0.00 C ATOM 1170 CE LYS A 76 11.804 -26.076 -5.339 1.00 0.00 C ATOM 1171 NZ LYS A 76 12.292 -26.896 -6.477 1.00 0.00 N ATOM 0 H LYS A 76 9.467 -21.642 -4.390 1.00 0.00 H new ATOM 0 HA LYS A 76 10.047 -23.142 -2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.530 -22.711 -4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.982 -23.934 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.769 -25.026 -3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.237 -23.766 -4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.861 -25.710 -6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.028 -24.439 -6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.630 -25.492 -4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.457 -26.734 -4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.059 -27.518 -6.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.511 -27.474 -6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.648 -26.271 -7.228 1.00 0.00 H new ATOM 1185 N ASP A 77 11.781 -20.443 -2.233 1.00 0.00 N ATOM 1186 CA ASP A 77 12.860 -19.641 -1.648 1.00 0.00 C ATOM 1187 C ASP A 77 12.332 -18.450 -0.835 1.00 0.00 C ATOM 1188 O ASP A 77 13.081 -17.854 -0.061 1.00 0.00 O ATOM 1189 CB ASP A 77 13.783 -19.162 -2.777 1.00 0.00 C ATOM 1190 CG ASP A 77 14.988 -18.364 -2.249 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.863 -18.955 -1.575 1.00 0.00 O ATOM 1192 OD2 ASP A 77 15.102 -17.156 -2.556 1.00 0.00 O ATOM 0 H ASP A 77 11.130 -19.892 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 77 13.414 -20.267 -0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.140 -20.024 -3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.214 -18.541 -3.469 1.00 0.00 H new ATOM 1197 N ILE A 78 11.048 -18.102 -0.977 1.00 0.00 N ATOM 1198 CA ILE A 78 10.448 -16.950 -0.304 1.00 0.00 C ATOM 1199 C ILE A 78 10.381 -17.217 1.206 1.00 0.00 C ATOM 1200 O ILE A 78 9.778 -18.198 1.654 1.00 0.00 O ATOM 1201 CB ILE A 78 9.083 -16.615 -0.956 1.00 0.00 C ATOM 1202 CG1 ILE A 78 9.356 -15.938 -2.316 1.00 0.00 C ATOM 1203 CG2 ILE A 78 8.217 -15.686 -0.089 1.00 0.00 C ATOM 1204 CD1 ILE A 78 8.123 -15.762 -3.199 1.00 0.00 C ATOM 0 H ILE A 78 10.394 -18.617 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 78 11.063 -16.059 -0.427 1.00 0.00 H new ATOM 0 HB ILE A 78 8.526 -17.545 -1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.801 -14.959 -2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.094 -16.529 -2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.274 -15.487 -0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.018 -16.164 0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.745 -14.747 0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.410 -15.279 -4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.688 -16.738 -3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.390 -15.144 -2.681 1.00 0.00 H new ATOM 1216 N ALA A 79 10.966 -16.309 1.992 1.00 0.00 N ATOM 1217 CA ALA A 79 11.017 -16.355 3.450 1.00 0.00 C ATOM 1218 C ALA A 79 9.747 -15.733 4.057 1.00 0.00 C ATOM 1219 O ALA A 79 9.817 -14.757 4.808 1.00 0.00 O ATOM 1220 CB ALA A 79 12.308 -15.673 3.929 1.00 0.00 C ATOM 0 H ALA A 79 11.436 -15.488 1.610 1.00 0.00 H new ATOM 0 HA ALA A 79 11.041 -17.389 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.353 -15.703 5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.171 -16.195 3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 79 12.317 -14.636 3.594 1.00 0.00 H new ATOM 1226 N MET A 80 8.580 -16.280 3.707 1.00 0.00 N ATOM 1227 CA MET A 80 7.271 -15.887 4.236 1.00 0.00 C ATOM 1228 C MET A 80 6.542 -17.148 4.714 1.00 0.00 C ATOM 1229 O MET A 80 6.843 -18.235 4.202 1.00 0.00 O ATOM 1230 CB MET A 80 6.430 -15.195 3.146 1.00 0.00 C ATOM 1231 CG MET A 80 6.994 -13.847 2.683 1.00 0.00 C ATOM 1232 SD MET A 80 6.889 -12.496 3.892 1.00 0.00 S ATOM 1233 CE MET A 80 5.111 -12.135 3.824 1.00 0.00 C ATOM 0 H MET A 80 8.518 -17.035 3.024 1.00 0.00 H new ATOM 0 HA MET A 80 7.411 -15.188 5.060 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.353 -15.859 2.285 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.419 -15.043 3.524 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.040 -13.986 2.410 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.466 -13.544 1.779 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.898 -11.245 4.416 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.814 -11.962 2.790 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.552 -12.981 4.225 1.00 0.00 H new ATOM 1243 N PRO A 81 5.580 -17.032 5.651 1.00 0.00 N ATOM 1244 CA PRO A 81 4.729 -18.146 6.052 1.00 0.00 C ATOM 1245 C PRO A 81 3.860 -18.612 4.880 1.00 0.00 C ATOM 1246 O PRO A 81 3.576 -17.848 3.949 1.00 0.00 O ATOM 1247 CB PRO A 81 3.896 -17.636 7.234 1.00 0.00 C ATOM 1248 CG PRO A 81 3.856 -16.125 7.020 1.00 0.00 C ATOM 1249 CD PRO A 81 5.210 -15.825 6.381 1.00 0.00 C ATOM 0 HA PRO A 81 5.310 -19.019 6.349 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.895 -18.067 7.235 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.355 -17.894 8.189 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.031 -15.832 6.371 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.727 -15.589 7.960 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.145 -14.967 5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.955 -15.582 7.139 1.00 0.00 H new ATOM 1257 N LYS A 82 3.425 -19.873 4.924 1.00 0.00 N ATOM 1258 CA LYS A 82 2.769 -20.546 3.804 1.00 0.00 C ATOM 1259 C LYS A 82 1.583 -21.354 4.317 1.00 0.00 C ATOM 1260 O LYS A 82 1.554 -21.746 5.486 1.00 0.00 O ATOM 1261 CB LYS A 82 3.770 -21.455 3.058 1.00 0.00 C ATOM 1262 CG LYS A 82 4.990 -20.683 2.529 1.00 0.00 C ATOM 1263 CD LYS A 82 6.021 -21.589 1.844 1.00 0.00 C ATOM 1264 CE LYS A 82 7.256 -20.793 1.391 1.00 0.00 C ATOM 1265 NZ LYS A 82 8.052 -20.252 2.523 1.00 0.00 N ATOM 0 H LYS A 82 3.520 -20.463 5.751 1.00 0.00 H new ATOM 0 HA LYS A 82 2.407 -19.797 3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.108 -22.245 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.263 -21.940 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.654 -19.924 1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.468 -20.159 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.327 -22.378 2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.564 -22.076 0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.892 -21.437 0.783 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.935 -19.969 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.850 -19.698 2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.449 -19.641 3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.414 -21.038 3.100 1.00 0.00 H new ATOM 1279 N VAL A 83 0.623 -21.614 3.436 1.00 0.00 N ATOM 1280 CA VAL A 83 -0.620 -22.330 3.706 1.00 0.00 C ATOM 1281 C VAL A 83 -0.859 -23.257 2.505 1.00 0.00 C ATOM 1282 O VAL A 83 -0.262 -23.068 1.443 1.00 0.00 O ATOM 1283 CB VAL A 83 -1.757 -21.300 3.944 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -3.123 -21.947 4.232 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -1.449 -20.358 5.123 1.00 0.00 C ATOM 0 H VAL A 83 0.694 -21.316 2.463 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.580 -22.940 4.608 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.809 -20.746 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.869 -21.168 4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.418 -22.567 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.051 -22.565 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.272 -19.655 5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.326 -20.944 6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.531 -19.808 4.919 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.690 -24.288 2.668 1.00 0.00 N ATOM 1296 CA LYS A 84 -2.000 -25.291 1.649 1.00 0.00 C ATOM 1297 C LYS A 84 -3.404 -25.844 1.890 1.00 0.00 C ATOM 1298 O LYS A 84 -3.999 -25.573 2.939 1.00 0.00 O ATOM 1299 CB LYS A 84 -0.948 -26.414 1.674 1.00 0.00 C ATOM 1300 CG LYS A 84 -0.765 -27.122 3.030 1.00 0.00 C ATOM 1301 CD LYS A 84 0.226 -28.298 2.940 1.00 0.00 C ATOM 1302 CE LYS A 84 1.628 -27.908 2.439 1.00 0.00 C ATOM 1303 NZ LYS A 84 2.356 -27.023 3.382 1.00 0.00 N ATOM 0 H LYS A 84 -2.183 -24.453 3.545 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.974 -24.830 0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.221 -27.160 0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.012 -25.996 1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.409 -26.404 3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.730 -27.488 3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.319 -28.755 3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.187 -29.056 2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.213 -28.813 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.537 -27.406 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.000 -26.404 2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.674 -26.441 3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.905 -27.603 4.049 1.00 0.00 H new ATOM 1317 N GLY A 85 -3.926 -26.638 0.955 1.00 0.00 N ATOM 1318 CA GLY A 85 -5.227 -27.275 1.078 1.00 0.00 C ATOM 1319 C GLY A 85 -5.406 -28.261 -0.063 1.00 0.00 C ATOM 1320 O GLY A 85 -6.288 -28.031 -0.914 1.00 0.00 O ATOM 1321 OXT GLY A 85 -4.662 -29.262 -0.101 1.00 0.00 O ATOM 0 H GLY A 85 -3.447 -26.856 0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.305 -27.790 2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.017 -26.525 1.054 1.00 0.00 H new