USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 916 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 11 THR OG1 : rot 68:sc= 0.538 USER MOD Set 1.2: A 34 THR OG1 : rot -86:sc= 0.302 USER MOD Set 1.3: A 78 SER OG : rot -140:sc= 0.242 USER MOD Set 2.1: A 70 ASN : amide:sc= 0.679 K(o=1.2,f=-5.1!) USER MOD Set 2.2: A 72 THR OG1 : rot -77:sc= 0.56 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0284) USER MOD Single : A 2 ASN : amide:sc= -0.61 K(o=-0.61,f=-5.4!) USER MOD Single : A 13 GLN :FLIP amide:sc= -2.09 F(o=-3.2!,f=-2.1) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.65 USER MOD Single : A 16 LYS NZ :NH3+ 149:sc= -1.75 (180deg=-2.33!) USER MOD Single : A 17 GLN : amide:sc= 0.141 X(o=0.14,f=-0.18) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.326 USER MOD Single : A 22 THR OG1 : rot -78:sc= 0.444 USER MOD Single : A 28 THR OG1 : rot 0:sc= 0.222 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 41 MET CE :methyl 165:sc= -0.0741 (180deg=-0.386) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0756 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0237) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -79:sc= 0.547 USER MOD Single : A 58 THR OG1 : rot 88:sc= 0.861 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0328) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -3.09! C(o=-3.1!,f=-7.3!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 106 CYS SG : rot -100:sc= -4.1! USER MOD Single : A 112 LYS NZ :NH3+ -170:sc=-0.00443 (180deg=-0.106) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.046 -21.108 16.208 1.00 0.00 N ATOM 2 CA MET A 1 5.577 -21.186 16.402 1.00 0.00 C ATOM 3 C MET A 1 4.853 -20.827 15.088 1.00 0.00 C ATOM 4 O MET A 1 4.220 -21.688 14.467 1.00 0.00 O ATOM 5 CB MET A 1 5.122 -20.271 17.572 1.00 0.00 C ATOM 6 CG MET A 1 5.662 -20.680 18.954 1.00 0.00 C ATOM 7 SD MET A 1 5.073 -19.585 20.267 1.00 0.00 S ATOM 8 CE MET A 1 5.843 -20.263 21.732 1.00 0.00 C ATOM 0 H1 MET A 1 7.528 -21.432 17.071 1.00 0.00 H new ATOM 0 H2 MET A 1 7.323 -21.713 15.408 1.00 0.00 H new ATOM 0 H3 MET A 1 7.318 -20.124 16.009 1.00 0.00 H new ATOM 0 HA MET A 1 5.311 -22.208 16.670 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.438 -19.250 17.361 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.033 -20.266 17.609 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.358 -21.704 19.173 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.752 -20.668 18.935 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.554 -19.672 22.601 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.518 -21.294 21.870 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.927 -20.236 21.619 1.00 0.00 H new ATOM 20 N ASN A 2 4.962 -19.553 14.663 1.00 0.00 N ATOM 21 CA ASN A 2 4.347 -19.055 13.416 1.00 0.00 C ATOM 22 C ASN A 2 5.372 -19.156 12.263 1.00 0.00 C ATOM 23 O ASN A 2 6.324 -18.369 12.199 1.00 0.00 O ATOM 24 CB ASN A 2 3.846 -17.590 13.615 1.00 0.00 C ATOM 25 CG ASN A 2 3.039 -17.016 12.430 1.00 0.00 C ATOM 26 OD1 ASN A 2 3.250 -17.362 11.268 1.00 0.00 O ATOM 27 ND2 ASN A 2 2.119 -16.109 12.721 1.00 0.00 N ATOM 0 H ASN A 2 5.480 -18.839 15.175 1.00 0.00 H new ATOM 0 HA ASN A 2 3.482 -19.666 13.158 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.227 -17.551 14.511 1.00 0.00 H new ATOM 0 HB3 ASN A 2 4.708 -16.947 13.795 1.00 0.00 H new ATOM 0 HD21 ASN A 2 1.569 -15.683 11.975 1.00 0.00 H new ATOM 0 HD22 ASN A 2 1.960 -15.837 13.691 1.00 0.00 H new ATOM 34 N ILE A 3 5.164 -20.135 11.364 1.00 0.00 N ATOM 35 CA ILE A 3 6.068 -20.411 10.224 1.00 0.00 C ATOM 36 C ILE A 3 5.694 -19.542 8.997 1.00 0.00 C ATOM 37 O ILE A 3 5.055 -20.005 8.036 1.00 0.00 O ATOM 38 CB ILE A 3 6.078 -21.954 9.865 1.00 0.00 C ATOM 39 CG1 ILE A 3 6.460 -22.811 11.123 1.00 0.00 C ATOM 40 CG2 ILE A 3 7.029 -22.255 8.675 1.00 0.00 C ATOM 41 CD1 ILE A 3 6.413 -24.320 10.910 1.00 0.00 C ATOM 0 H ILE A 3 4.361 -20.762 11.405 1.00 0.00 H new ATOM 0 HA ILE A 3 7.081 -20.139 10.522 1.00 0.00 H new ATOM 0 HB ILE A 3 5.071 -22.232 9.555 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.465 -22.535 11.441 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.785 -22.553 11.939 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.011 -23.323 8.456 1.00 0.00 H new ATOM 0 HG22 ILE A 3 6.700 -21.699 7.797 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.044 -21.955 8.936 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.692 -24.827 11.834 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.403 -24.616 10.625 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.110 -24.598 10.119 1.00 0.00 H new ATOM 53 N GLY A 4 5.998 -18.245 9.113 1.00 0.00 N ATOM 54 CA GLY A 4 6.001 -17.314 7.979 1.00 0.00 C ATOM 55 C GLY A 4 7.410 -16.800 7.708 1.00 0.00 C ATOM 56 O GLY A 4 7.631 -15.581 7.690 1.00 0.00 O ATOM 0 H GLY A 4 6.250 -17.809 10.000 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.614 -17.813 7.091 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.337 -16.476 8.189 1.00 0.00 H new ATOM 60 N ARG A 5 8.365 -17.745 7.541 1.00 0.00 N ATOM 61 CA ARG A 5 9.808 -17.434 7.366 1.00 0.00 C ATOM 62 C ARG A 5 10.012 -16.386 6.252 1.00 0.00 C ATOM 63 O ARG A 5 9.434 -16.511 5.173 1.00 0.00 O ATOM 64 CB ARG A 5 10.655 -18.727 7.061 1.00 0.00 C ATOM 65 CG ARG A 5 11.646 -19.142 8.177 1.00 0.00 C ATOM 66 CD ARG A 5 10.968 -19.797 9.390 1.00 0.00 C ATOM 67 NE ARG A 5 10.509 -21.163 9.079 1.00 0.00 N ATOM 68 CZ ARG A 5 10.411 -22.172 9.960 1.00 0.00 C ATOM 69 NH1 ARG A 5 10.652 -21.985 11.251 1.00 0.00 N ATOM 70 NH2 ARG A 5 10.034 -23.362 9.534 1.00 0.00 N ATOM 0 H ARG A 5 8.160 -18.744 7.523 1.00 0.00 H new ATOM 0 HA ARG A 5 10.164 -17.019 8.309 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.971 -19.556 6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.216 -18.566 6.140 1.00 0.00 H new ATOM 0 HG2 ARG A 5 12.378 -19.835 7.762 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.195 -18.261 8.510 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.667 -19.828 10.226 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.120 -19.190 9.706 1.00 0.00 H new ATOM 0 HE ARG A 5 10.244 -21.358 8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.918 -21.061 11.592 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.572 -22.765 11.903 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.821 -23.507 8.547 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.955 -24.138 10.192 1.00 0.00 H new ATOM 84 N LEU A 6 10.821 -15.358 6.549 1.00 0.00 N ATOM 85 CA LEU A 6 11.014 -14.205 5.665 1.00 0.00 C ATOM 86 C LEU A 6 11.936 -14.609 4.490 1.00 0.00 C ATOM 87 O LEU A 6 13.167 -14.526 4.585 1.00 0.00 O ATOM 88 CB LEU A 6 11.570 -12.975 6.455 1.00 0.00 C ATOM 89 CG LEU A 6 10.733 -12.453 7.684 1.00 0.00 C ATOM 90 CD1 LEU A 6 9.241 -12.291 7.340 1.00 0.00 C ATOM 91 CD2 LEU A 6 10.941 -13.318 8.949 1.00 0.00 C ATOM 0 H LEU A 6 11.361 -15.305 7.413 1.00 0.00 H new ATOM 0 HA LEU A 6 10.052 -13.898 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.568 -13.230 6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.684 -12.149 5.753 1.00 0.00 H new ATOM 0 HG LEU A 6 11.117 -11.460 7.918 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.703 -11.929 8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.131 -11.575 6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.831 -13.254 7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.343 -12.916 9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.633 -14.343 8.743 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.994 -13.305 9.230 1.00 0.00 H new ATOM 103 N ARG A 7 11.302 -15.095 3.411 1.00 0.00 N ATOM 104 CA ARG A 7 11.990 -15.647 2.222 1.00 0.00 C ATOM 105 C ARG A 7 12.481 -14.520 1.299 1.00 0.00 C ATOM 106 O ARG A 7 13.609 -14.544 0.807 1.00 0.00 O ATOM 107 CB ARG A 7 11.017 -16.567 1.429 1.00 0.00 C ATOM 108 CG ARG A 7 10.335 -17.655 2.285 1.00 0.00 C ATOM 109 CD ARG A 7 9.280 -18.453 1.501 1.00 0.00 C ATOM 110 NE ARG A 7 8.443 -19.294 2.381 1.00 0.00 N ATOM 111 CZ ARG A 7 7.625 -20.273 1.968 1.00 0.00 C ATOM 112 NH1 ARG A 7 7.560 -20.617 0.681 1.00 0.00 N ATOM 113 NH2 ARG A 7 6.877 -20.911 2.854 1.00 0.00 N ATOM 0 H ARG A 7 10.285 -15.118 3.334 1.00 0.00 H new ATOM 0 HA ARG A 7 12.850 -16.222 2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.247 -15.949 0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.568 -17.049 0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.093 -18.339 2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.863 -17.188 3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 7 8.642 -17.763 0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.778 -19.085 0.766 1.00 0.00 H new ATOM 0 HE ARG A 7 8.491 -19.116 3.384 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.138 -20.133 -0.006 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.932 -21.364 0.384 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.926 -20.656 3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.251 -21.657 2.550 1.00 0.00 H new ATOM 127 N ASP A 8 11.602 -13.534 1.105 1.00 0.00 N ATOM 128 CA ASP A 8 11.738 -12.441 0.125 1.00 0.00 C ATOM 129 C ASP A 8 12.134 -11.119 0.825 1.00 0.00 C ATOM 130 O ASP A 8 12.625 -11.136 1.963 1.00 0.00 O ATOM 131 CB ASP A 8 10.371 -12.299 -0.603 1.00 0.00 C ATOM 132 CG ASP A 8 9.956 -13.592 -1.315 1.00 0.00 C ATOM 133 OD1 ASP A 8 10.692 -14.050 -2.216 1.00 0.00 O ATOM 134 OD2 ASP A 8 8.919 -14.188 -0.955 1.00 0.00 O ATOM 0 H ASP A 8 10.740 -13.468 1.646 1.00 0.00 H new ATOM 0 HA ASP A 8 12.528 -12.667 -0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.604 -12.022 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.431 -11.489 -1.330 1.00 0.00 H new ATOM 139 N ARG A 9 11.911 -9.977 0.130 1.00 0.00 N ATOM 140 CA ARG A 9 12.234 -8.622 0.633 1.00 0.00 C ATOM 141 C ARG A 9 11.397 -7.569 -0.138 1.00 0.00 C ATOM 142 O ARG A 9 11.260 -7.674 -1.361 1.00 0.00 O ATOM 143 CB ARG A 9 13.759 -8.341 0.471 1.00 0.00 C ATOM 144 CG ARG A 9 14.267 -7.062 1.171 1.00 0.00 C ATOM 145 CD ARG A 9 15.763 -6.819 0.927 1.00 0.00 C ATOM 146 NE ARG A 9 16.267 -5.647 1.658 1.00 0.00 N ATOM 147 CZ ARG A 9 17.260 -4.845 1.248 1.00 0.00 C ATOM 148 NH1 ARG A 9 17.854 -5.024 0.071 1.00 0.00 N ATOM 149 NH2 ARG A 9 17.639 -3.842 2.018 1.00 0.00 N ATOM 0 H ARG A 9 11.499 -9.972 -0.803 1.00 0.00 H new ATOM 0 HA ARG A 9 11.986 -8.559 1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.313 -9.195 0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.989 -8.270 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.699 -6.204 0.812 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.084 -7.140 2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.326 -7.702 1.229 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.937 -6.680 -0.140 1.00 0.00 H new ATOM 0 HE ARG A 9 15.825 -5.426 2.550 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.556 -5.784 -0.540 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.608 -4.401 -0.220 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.178 -3.684 2.914 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.393 -3.225 1.717 1.00 0.00 H new ATOM 163 N ILE A 10 10.836 -6.567 0.582 1.00 0.00 N ATOM 164 CA ILE A 10 9.957 -5.502 0.007 1.00 0.00 C ATOM 165 C ILE A 10 10.399 -4.116 0.502 1.00 0.00 C ATOM 166 O ILE A 10 11.161 -4.020 1.458 1.00 0.00 O ATOM 167 CB ILE A 10 8.422 -5.711 0.378 1.00 0.00 C ATOM 168 CG1 ILE A 10 8.065 -5.282 1.852 1.00 0.00 C ATOM 169 CG2 ILE A 10 7.958 -7.155 0.101 1.00 0.00 C ATOM 170 CD1 ILE A 10 8.837 -5.929 2.976 1.00 0.00 C ATOM 0 H ILE A 10 10.978 -6.469 1.587 1.00 0.00 H new ATOM 0 HA ILE A 10 10.059 -5.570 -1.076 1.00 0.00 H new ATOM 0 HB ILE A 10 7.872 -5.039 -0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.200 -4.203 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.006 -5.483 2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.906 -7.256 0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.088 -7.382 -0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.551 -7.848 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.485 -5.539 3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.686 -7.008 2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.898 -5.708 2.863 1.00 0.00 H new ATOM 182 N THR A 11 9.857 -3.064 -0.121 1.00 0.00 N ATOM 183 CA THR A 11 10.050 -1.663 0.277 1.00 0.00 C ATOM 184 C THR A 11 8.683 -1.095 0.709 1.00 0.00 C ATOM 185 O THR A 11 7.658 -1.413 0.095 1.00 0.00 O ATOM 186 CB THR A 11 10.629 -0.815 -0.908 1.00 0.00 C ATOM 187 OG1 THR A 11 11.759 -1.497 -1.472 1.00 0.00 O ATOM 188 CG2 THR A 11 11.057 0.595 -0.449 1.00 0.00 C ATOM 0 H THR A 11 9.255 -3.165 -0.938 1.00 0.00 H new ATOM 0 HA THR A 11 10.764 -1.614 1.099 1.00 0.00 H new ATOM 0 HB THR A 11 9.843 -0.699 -1.654 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.457 -2.315 -1.920 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.453 1.150 -1.300 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.195 1.122 -0.041 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.827 0.510 0.318 1.00 0.00 H new ATOM 196 N ILE A 12 8.674 -0.303 1.796 1.00 0.00 N ATOM 197 CA ILE A 12 7.447 0.331 2.320 1.00 0.00 C ATOM 198 C ILE A 12 7.330 1.778 1.813 1.00 0.00 C ATOM 199 O ILE A 12 8.017 2.681 2.305 1.00 0.00 O ATOM 200 CB ILE A 12 7.396 0.314 3.890 1.00 0.00 C ATOM 201 CG1 ILE A 12 7.717 -1.104 4.443 1.00 0.00 C ATOM 202 CG2 ILE A 12 6.024 0.816 4.413 1.00 0.00 C ATOM 203 CD1 ILE A 12 6.796 -2.219 3.973 1.00 0.00 C ATOM 0 H ILE A 12 9.512 -0.084 2.335 1.00 0.00 H new ATOM 0 HA ILE A 12 6.604 -0.254 1.952 1.00 0.00 H new ATOM 0 HB ILE A 12 8.162 0.999 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.739 -1.360 4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.684 -1.065 5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.019 0.793 5.503 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.856 1.837 4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.232 0.171 4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.110 -3.163 4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.773 -1.998 4.276 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.844 -2.297 2.887 1.00 0.00 H new ATOM 215 N GLN A 13 6.479 1.970 0.799 1.00 0.00 N ATOM 216 CA GLN A 13 6.123 3.295 0.273 1.00 0.00 C ATOM 217 C GLN A 13 5.149 4.005 1.231 1.00 0.00 C ATOM 218 O GLN A 13 3.954 3.719 1.254 1.00 0.00 O ATOM 219 CB GLN A 13 5.530 3.205 -1.171 1.00 0.00 C ATOM 220 CG GLN A 13 6.581 3.013 -2.290 1.00 0.00 C ATOM 221 CD GLN A 13 7.396 1.721 -2.186 1.00 0.00 C ATOM 222 OE1 GLN A 13 8.648 1.770 -2.614 1.00 0.00 O flip ATOM 223 NE2 GLN A 13 6.903 0.691 -1.733 1.00 0.00 N flip ATOM 0 H GLN A 13 6.013 1.203 0.315 1.00 0.00 H new ATOM 0 HA GLN A 13 7.036 3.886 0.206 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.824 2.376 -1.208 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.965 4.114 -1.374 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.073 3.030 -3.254 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.266 3.861 -2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.935 0.687 -1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.462 -0.161 -1.678 1.00 0.00 H new ATOM 232 N THR A 14 5.715 4.917 2.012 1.00 0.00 N ATOM 233 CA THR A 14 4.991 5.739 2.984 1.00 0.00 C ATOM 234 C THR A 14 4.279 6.899 2.269 1.00 0.00 C ATOM 235 O THR A 14 4.780 7.407 1.260 1.00 0.00 O ATOM 236 CB THR A 14 5.990 6.313 4.037 1.00 0.00 C ATOM 237 OG1 THR A 14 7.075 6.974 3.375 1.00 0.00 O ATOM 238 CG2 THR A 14 6.561 5.215 4.947 1.00 0.00 C ATOM 0 H THR A 14 6.716 5.113 1.989 1.00 0.00 H new ATOM 0 HA THR A 14 4.249 5.119 3.486 1.00 0.00 H new ATOM 0 HB THR A 14 5.435 7.018 4.655 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.696 7.332 4.043 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.251 5.659 5.664 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.747 4.726 5.482 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.091 4.480 4.341 1.00 0.00 H new ATOM 246 N LEU A 15 3.123 7.318 2.800 1.00 0.00 N ATOM 247 CA LEU A 15 2.340 8.422 2.238 1.00 0.00 C ATOM 248 C LEU A 15 2.652 9.698 3.018 1.00 0.00 C ATOM 249 O LEU A 15 2.272 9.821 4.191 1.00 0.00 O ATOM 250 CB LEU A 15 0.818 8.121 2.323 1.00 0.00 C ATOM 251 CG LEU A 15 -0.117 9.209 1.711 1.00 0.00 C ATOM 252 CD1 LEU A 15 0.131 9.381 0.200 1.00 0.00 C ATOM 253 CD2 LEU A 15 -1.598 8.906 2.019 1.00 0.00 C ATOM 0 H LEU A 15 2.706 6.900 3.632 1.00 0.00 H new ATOM 0 HA LEU A 15 2.607 8.546 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.624 7.175 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.550 7.984 3.371 1.00 0.00 H new ATOM 0 HG LEU A 15 0.126 10.161 2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.537 10.147 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.165 9.682 0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.059 8.437 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.227 9.681 1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.867 7.938 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.748 8.885 3.098 1.00 0.00 H new ATOM 265 N LYS A 16 3.392 10.617 2.394 1.00 0.00 N ATOM 266 CA LYS A 16 3.604 11.961 2.934 1.00 0.00 C ATOM 267 C LYS A 16 2.650 12.938 2.248 1.00 0.00 C ATOM 268 O LYS A 16 2.657 13.074 1.016 1.00 0.00 O ATOM 269 CB LYS A 16 5.076 12.432 2.764 1.00 0.00 C ATOM 270 CG LYS A 16 5.330 13.888 3.245 1.00 0.00 C ATOM 271 CD LYS A 16 6.832 14.291 3.324 1.00 0.00 C ATOM 272 CE LYS A 16 7.549 13.800 4.610 1.00 0.00 C ATOM 273 NZ LYS A 16 7.629 12.320 4.725 1.00 0.00 N ATOM 0 H LYS A 16 3.860 10.451 1.503 1.00 0.00 H new ATOM 0 HA LYS A 16 3.399 11.933 4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.729 11.758 3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.353 12.353 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.818 14.574 2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.881 14.015 4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.352 13.889 2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.910 15.377 3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.558 14.212 4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.025 14.195 5.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.494 12.058 5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.798 11.967 5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.651 11.899 3.774 1.00 0.00 H new ATOM 287 N GLN A 17 1.808 13.582 3.055 1.00 0.00 N ATOM 288 CA GLN A 17 0.967 14.687 2.617 1.00 0.00 C ATOM 289 C GLN A 17 1.807 15.972 2.645 1.00 0.00 C ATOM 290 O GLN A 17 1.971 16.598 3.696 1.00 0.00 O ATOM 291 CB GLN A 17 -0.279 14.792 3.529 1.00 0.00 C ATOM 292 CG GLN A 17 -1.247 13.596 3.415 1.00 0.00 C ATOM 293 CD GLN A 17 -2.566 13.799 4.174 1.00 0.00 C ATOM 294 OE1 GLN A 17 -2.610 14.469 5.207 1.00 0.00 O ATOM 295 NE2 GLN A 17 -3.651 13.226 3.672 1.00 0.00 N ATOM 0 H GLN A 17 1.692 13.346 4.041 1.00 0.00 H new ATOM 0 HA GLN A 17 0.609 14.524 1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.049 14.883 4.565 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.819 15.707 3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.467 13.416 2.363 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.753 12.702 3.795 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.587 12.676 2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.549 13.335 4.143 1.00 0.00 H new ATOM 304 N THR A 18 2.403 16.310 1.495 1.00 0.00 N ATOM 305 CA THR A 18 3.286 17.467 1.351 1.00 0.00 C ATOM 306 C THR A 18 2.466 18.680 0.905 1.00 0.00 C ATOM 307 O THR A 18 1.915 18.681 -0.194 1.00 0.00 O ATOM 308 CB THR A 18 4.413 17.169 0.303 1.00 0.00 C ATOM 309 OG1 THR A 18 5.094 15.946 0.647 1.00 0.00 O ATOM 310 CG2 THR A 18 5.431 18.323 0.197 1.00 0.00 C ATOM 0 H THR A 18 2.283 15.781 0.631 1.00 0.00 H new ATOM 0 HA THR A 18 3.755 17.677 2.312 1.00 0.00 H new ATOM 0 HB THR A 18 3.933 17.065 -0.670 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.795 15.765 -0.013 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.192 18.070 -0.541 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.917 19.234 -0.109 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.904 18.481 1.166 1.00 0.00 H new ATOM 318 N ARG A 19 2.370 19.705 1.766 1.00 0.00 N ATOM 319 CA ARG A 19 1.623 20.927 1.444 1.00 0.00 C ATOM 320 C ARG A 19 2.399 21.766 0.403 1.00 0.00 C ATOM 321 O ARG A 19 3.617 21.616 0.259 1.00 0.00 O ATOM 322 CB ARG A 19 1.329 21.749 2.725 1.00 0.00 C ATOM 323 CG ARG A 19 0.274 22.865 2.530 1.00 0.00 C ATOM 324 CD ARG A 19 0.069 23.731 3.772 1.00 0.00 C ATOM 325 NE ARG A 19 1.309 24.428 4.162 1.00 0.00 N ATOM 326 CZ ARG A 19 1.513 25.758 4.141 1.00 0.00 C ATOM 327 NH1 ARG A 19 0.549 26.601 3.769 1.00 0.00 N ATOM 328 NH2 ARG A 19 2.689 26.241 4.516 1.00 0.00 N ATOM 0 H ARG A 19 2.801 19.710 2.690 1.00 0.00 H new ATOM 0 HA ARG A 19 0.664 20.646 1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.986 21.072 3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.258 22.199 3.077 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.579 23.501 1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.677 22.411 2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.715 24.463 3.580 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.273 23.107 4.598 1.00 0.00 H new ATOM 0 HE ARG A 19 2.086 23.847 4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.365 26.241 3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.725 27.606 3.760 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.429 25.606 4.817 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.854 27.247 4.504 1.00 0.00 H new ATOM 342 N ASP A 20 1.686 22.643 -0.314 1.00 0.00 N ATOM 343 CA ASP A 20 2.275 23.502 -1.360 1.00 0.00 C ATOM 344 C ASP A 20 2.265 24.967 -0.883 1.00 0.00 C ATOM 345 O ASP A 20 1.655 25.289 0.145 1.00 0.00 O ATOM 346 CB ASP A 20 1.472 23.333 -2.678 1.00 0.00 C ATOM 347 CG ASP A 20 2.113 24.040 -3.892 1.00 0.00 C ATOM 348 OD1 ASP A 20 3.084 23.505 -4.465 1.00 0.00 O ATOM 349 OD2 ASP A 20 1.653 25.133 -4.270 1.00 0.00 O ATOM 0 H ASP A 20 0.683 22.781 -0.189 1.00 0.00 H new ATOM 0 HA ASP A 20 3.308 23.211 -1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.373 22.270 -2.899 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.465 23.723 -2.532 1.00 0.00 H new ATOM 354 N ILE A 21 2.959 25.844 -1.633 1.00 0.00 N ATOM 355 CA ILE A 21 2.968 27.308 -1.412 1.00 0.00 C ATOM 356 C ILE A 21 1.583 27.970 -1.686 1.00 0.00 C ATOM 357 O ILE A 21 1.371 29.140 -1.350 1.00 0.00 O ATOM 358 CB ILE A 21 4.096 27.971 -2.296 1.00 0.00 C ATOM 359 CG1 ILE A 21 4.381 29.457 -1.876 1.00 0.00 C ATOM 360 CG2 ILE A 21 3.751 27.863 -3.802 1.00 0.00 C ATOM 361 CD1 ILE A 21 5.502 30.145 -2.651 1.00 0.00 C ATOM 0 H ILE A 21 3.538 25.554 -2.421 1.00 0.00 H new ATOM 0 HA ILE A 21 3.182 27.480 -0.357 1.00 0.00 H new ATOM 0 HB ILE A 21 5.016 27.415 -2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.466 30.036 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.628 29.477 -0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.543 28.327 -4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.660 26.813 -4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.808 28.373 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.622 31.166 -2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.433 29.597 -2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.252 30.164 -3.712 1.00 0.00 H new ATOM 373 N THR A 22 0.620 27.207 -2.242 1.00 0.00 N ATOM 374 CA THR A 22 -0.772 27.666 -2.441 1.00 0.00 C ATOM 375 C THR A 22 -1.661 27.107 -1.293 1.00 0.00 C ATOM 376 O THR A 22 -2.835 27.465 -1.150 1.00 0.00 O ATOM 377 CB THR A 22 -1.310 27.162 -3.816 1.00 0.00 C ATOM 378 OG1 THR A 22 -1.171 25.730 -3.880 1.00 0.00 O ATOM 379 CG2 THR A 22 -0.564 27.803 -5.002 1.00 0.00 C ATOM 0 H THR A 22 0.785 26.254 -2.566 1.00 0.00 H new ATOM 0 HA THR A 22 -0.799 28.756 -2.431 1.00 0.00 H new ATOM 0 HB THR A 22 -2.358 27.451 -3.892 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.239 25.500 -4.076 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.973 27.422 -5.938 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.686 28.886 -4.967 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.496 27.556 -4.942 1.00 0.00 H new ATOM 387 N GLY A 23 -1.058 26.198 -0.505 1.00 0.00 N ATOM 388 CA GLY A 23 -1.685 25.597 0.668 1.00 0.00 C ATOM 389 C GLY A 23 -2.485 24.344 0.348 1.00 0.00 C ATOM 390 O GLY A 23 -3.452 24.026 1.051 1.00 0.00 O ATOM 0 H GLY A 23 -0.110 25.862 -0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.913 25.350 1.397 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.343 26.330 1.135 1.00 0.00 H new ATOM 394 N GLU A 24 -2.069 23.615 -0.702 1.00 0.00 N ATOM 395 CA GLU A 24 -2.742 22.378 -1.150 1.00 0.00 C ATOM 396 C GLU A 24 -2.010 21.160 -0.570 1.00 0.00 C ATOM 397 O GLU A 24 -0.785 21.156 -0.509 1.00 0.00 O ATOM 398 CB GLU A 24 -2.757 22.289 -2.699 1.00 0.00 C ATOM 399 CG GLU A 24 -3.502 23.434 -3.395 1.00 0.00 C ATOM 400 CD GLU A 24 -3.548 23.258 -4.920 1.00 0.00 C ATOM 401 OE1 GLU A 24 -4.387 22.475 -5.413 1.00 0.00 O ATOM 402 OE2 GLU A 24 -2.729 23.877 -5.630 1.00 0.00 O ATOM 0 H GLU A 24 -1.257 23.865 -1.266 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.773 22.393 -0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.728 22.270 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.215 21.344 -2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.519 23.491 -3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.016 24.380 -3.155 1.00 0.00 H new ATOM 409 N ILE A 25 -2.765 20.145 -0.150 1.00 0.00 N ATOM 410 CA ILE A 25 -2.211 18.904 0.417 1.00 0.00 C ATOM 411 C ILE A 25 -1.948 17.877 -0.716 1.00 0.00 C ATOM 412 O ILE A 25 -2.884 17.245 -1.222 1.00 0.00 O ATOM 413 CB ILE A 25 -3.190 18.306 1.501 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.437 19.327 2.665 1.00 0.00 C ATOM 415 CG2 ILE A 25 -2.671 16.959 2.047 1.00 0.00 C ATOM 416 CD1 ILE A 25 -2.213 19.655 3.509 1.00 0.00 C ATOM 0 H ILE A 25 -3.784 20.155 -0.191 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.264 19.131 0.907 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.146 18.118 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.824 20.253 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.213 18.928 3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.369 16.575 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.583 16.244 1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.694 17.105 2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.487 20.369 4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.835 18.743 3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.439 20.088 2.875 1.00 0.00 H new ATOM 428 N LEU A 26 -0.671 17.746 -1.131 1.00 0.00 N ATOM 429 CA LEU A 26 -0.250 16.801 -2.189 1.00 0.00 C ATOM 430 C LEU A 26 0.100 15.453 -1.546 1.00 0.00 C ATOM 431 O LEU A 26 1.153 15.316 -0.915 1.00 0.00 O ATOM 432 CB LEU A 26 0.974 17.345 -3.006 1.00 0.00 C ATOM 433 CG LEU A 26 0.719 18.530 -3.992 1.00 0.00 C ATOM 434 CD1 LEU A 26 -0.351 18.167 -5.042 1.00 0.00 C ATOM 435 CD2 LEU A 26 0.378 19.841 -3.255 1.00 0.00 C ATOM 0 H LEU A 26 0.098 18.292 -0.743 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.076 16.679 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.739 17.658 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.391 16.516 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 26 1.653 18.709 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.505 19.013 -5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.018 17.304 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.288 17.928 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.209 20.634 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.523 19.699 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.206 20.117 -2.602 1.00 0.00 H new ATOM 447 N GLU A 27 -0.793 14.468 -1.703 1.00 0.00 N ATOM 448 CA GLU A 27 -0.581 13.118 -1.177 1.00 0.00 C ATOM 449 C GLU A 27 0.341 12.359 -2.135 1.00 0.00 C ATOM 450 O GLU A 27 -0.040 12.073 -3.273 1.00 0.00 O ATOM 451 CB GLU A 27 -1.928 12.380 -1.000 1.00 0.00 C ATOM 452 CG GLU A 27 -2.889 13.088 -0.039 1.00 0.00 C ATOM 453 CD GLU A 27 -4.204 12.325 0.189 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.253 11.470 1.102 1.00 0.00 O ATOM 455 OE2 GLU A 27 -5.196 12.579 -0.538 1.00 0.00 O ATOM 0 H GLU A 27 -1.678 14.585 -2.196 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.114 13.176 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.409 12.278 -1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.736 11.372 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.391 13.231 0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.117 14.079 -0.431 1.00 0.00 H new ATOM 462 N THR A 28 1.556 12.063 -1.656 1.00 0.00 N ATOM 463 CA THR A 28 2.642 11.461 -2.458 1.00 0.00 C ATOM 464 C THR A 28 3.213 10.225 -1.752 1.00 0.00 C ATOM 465 O THR A 28 3.343 10.208 -0.524 1.00 0.00 O ATOM 466 CB THR A 28 3.788 12.501 -2.720 1.00 0.00 C ATOM 467 OG1 THR A 28 4.131 13.194 -1.504 1.00 0.00 O ATOM 468 CG2 THR A 28 3.398 13.518 -3.812 1.00 0.00 C ATOM 0 H THR A 28 1.822 12.236 -0.686 1.00 0.00 H new ATOM 0 HA THR A 28 2.220 11.158 -3.416 1.00 0.00 H new ATOM 0 HB THR A 28 4.656 11.944 -3.073 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.572 12.863 -0.770 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.217 14.221 -3.964 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.194 12.991 -4.744 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.506 14.062 -3.501 1.00 0.00 H new ATOM 476 N TRP A 29 3.595 9.224 -2.556 1.00 0.00 N ATOM 477 CA TRP A 29 4.104 7.930 -2.079 1.00 0.00 C ATOM 478 C TRP A 29 5.627 7.896 -2.243 1.00 0.00 C ATOM 479 O TRP A 29 6.144 7.687 -3.346 1.00 0.00 O ATOM 480 CB TRP A 29 3.434 6.775 -2.858 1.00 0.00 C ATOM 481 CG TRP A 29 1.933 6.774 -2.735 1.00 0.00 C ATOM 482 CD1 TRP A 29 1.027 7.326 -3.595 1.00 0.00 C ATOM 483 CD2 TRP A 29 1.173 6.211 -1.666 1.00 0.00 C ATOM 484 NE1 TRP A 29 -0.246 7.118 -3.131 1.00 0.00 N ATOM 485 CE2 TRP A 29 -0.182 6.445 -1.944 1.00 0.00 C ATOM 486 CE3 TRP A 29 1.520 5.530 -0.497 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -1.199 6.003 -1.103 1.00 0.00 C ATOM 488 CZ3 TRP A 29 0.514 5.099 0.339 1.00 0.00 C ATOM 489 CH2 TRP A 29 -0.834 5.340 0.038 1.00 0.00 C ATOM 0 H TRP A 29 3.559 9.291 -3.573 1.00 0.00 H new ATOM 0 HA TRP A 29 3.862 7.805 -1.024 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.707 6.848 -3.911 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.823 5.824 -2.493 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.277 7.849 -4.506 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -1.103 7.417 -3.597 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.556 5.345 -0.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.238 6.177 -1.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.768 4.566 1.243 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.599 4.996 0.719 1.00 0.00 H new ATOM 500 N GLU A 30 6.319 8.138 -1.130 1.00 0.00 N ATOM 501 CA GLU A 30 7.787 8.123 -1.067 1.00 0.00 C ATOM 502 C GLU A 30 8.240 6.767 -0.529 1.00 0.00 C ATOM 503 O GLU A 30 7.656 6.258 0.438 1.00 0.00 O ATOM 504 CB GLU A 30 8.313 9.283 -0.180 1.00 0.00 C ATOM 505 CG GLU A 30 7.674 9.380 1.219 1.00 0.00 C ATOM 506 CD GLU A 30 8.332 10.444 2.100 1.00 0.00 C ATOM 507 OE1 GLU A 30 8.184 11.639 1.794 1.00 0.00 O ATOM 508 OE2 GLU A 30 9.023 10.105 3.084 1.00 0.00 O ATOM 0 H GLU A 30 5.876 8.352 -0.237 1.00 0.00 H new ATOM 0 HA GLU A 30 8.199 8.270 -2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.391 9.170 -0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.147 10.224 -0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.613 9.608 1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.745 8.411 1.713 1.00 0.00 H new ATOM 515 N ASP A 31 9.263 6.177 -1.167 1.00 0.00 N ATOM 516 CA ASP A 31 9.819 4.878 -0.744 1.00 0.00 C ATOM 517 C ASP A 31 10.518 5.047 0.611 1.00 0.00 C ATOM 518 O ASP A 31 11.138 6.087 0.876 1.00 0.00 O ATOM 519 CB ASP A 31 10.784 4.295 -1.814 1.00 0.00 C ATOM 520 CG ASP A 31 12.052 5.134 -2.044 1.00 0.00 C ATOM 521 OD1 ASP A 31 12.002 6.093 -2.835 1.00 0.00 O ATOM 522 OD2 ASP A 31 13.100 4.844 -1.426 1.00 0.00 O ATOM 0 H ASP A 31 9.725 6.580 -1.982 1.00 0.00 H new ATOM 0 HA ASP A 31 9.005 4.161 -0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.077 3.289 -1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.248 4.202 -2.758 1.00 0.00 H new ATOM 527 N GLY A 32 10.399 4.031 1.465 1.00 0.00 N ATOM 528 CA GLY A 32 10.917 4.088 2.822 1.00 0.00 C ATOM 529 C GLY A 32 12.088 3.154 2.996 1.00 0.00 C ATOM 530 O GLY A 32 13.159 3.374 2.423 1.00 0.00 O ATOM 0 H GLY A 32 9.941 3.150 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.224 5.108 3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.129 3.823 3.527 1.00 0.00 H new ATOM 534 N HIS A 33 11.874 2.080 3.764 1.00 0.00 N ATOM 535 CA HIS A 33 12.920 1.115 4.112 1.00 0.00 C ATOM 536 C HIS A 33 12.557 -0.257 3.549 1.00 0.00 C ATOM 537 O HIS A 33 11.381 -0.652 3.537 1.00 0.00 O ATOM 538 CB HIS A 33 13.126 1.071 5.646 1.00 0.00 C ATOM 539 CG HIS A 33 13.717 2.345 6.215 1.00 0.00 C ATOM 540 ND1 HIS A 33 12.961 3.377 6.740 1.00 0.00 N ATOM 541 CD2 HIS A 33 15.005 2.738 6.329 1.00 0.00 C ATOM 542 CE1 HIS A 33 13.765 4.343 7.155 1.00 0.00 C ATOM 543 NE2 HIS A 33 15.007 3.980 6.912 1.00 0.00 N ATOM 0 H HIS A 33 10.963 1.855 4.164 1.00 0.00 H new ATOM 0 HA HIS A 33 13.866 1.425 3.668 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.167 0.878 6.128 1.00 0.00 H new ATOM 0 HB3 HIS A 33 13.780 0.235 5.893 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.874 2.177 6.018 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.455 5.270 7.614 1.00 0.00 H new ATOM 0 HE2 HIS A 33 15.837 4.533 7.123 1.00 0.00 H new ATOM 552 N THR A 34 13.579 -0.968 3.070 1.00 0.00 N ATOM 553 CA THR A 34 13.436 -2.253 2.398 1.00 0.00 C ATOM 554 C THR A 34 13.803 -3.393 3.378 1.00 0.00 C ATOM 555 O THR A 34 14.990 -3.616 3.646 1.00 0.00 O ATOM 556 CB THR A 34 14.353 -2.272 1.127 1.00 0.00 C ATOM 557 OG1 THR A 34 14.161 -1.052 0.395 1.00 0.00 O ATOM 558 CG2 THR A 34 14.052 -3.458 0.199 1.00 0.00 C ATOM 0 H THR A 34 14.548 -0.657 3.142 1.00 0.00 H new ATOM 0 HA THR A 34 12.404 -2.402 2.080 1.00 0.00 H new ATOM 0 HB THR A 34 15.383 -2.373 1.469 1.00 0.00 H new ATOM 0 HG1 THR A 34 13.401 -1.153 -0.216 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.716 -3.422 -0.665 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.210 -4.392 0.739 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.016 -3.404 -0.137 1.00 0.00 H new ATOM 566 N LEU A 35 12.776 -4.078 3.930 1.00 0.00 N ATOM 567 CA LEU A 35 12.937 -5.133 4.967 1.00 0.00 C ATOM 568 C LEU A 35 12.516 -6.513 4.430 1.00 0.00 C ATOM 569 O LEU A 35 11.952 -6.629 3.340 1.00 0.00 O ATOM 570 CB LEU A 35 12.117 -4.812 6.265 1.00 0.00 C ATOM 571 CG LEU A 35 10.549 -4.719 6.134 1.00 0.00 C ATOM 572 CD1 LEU A 35 9.840 -4.972 7.489 1.00 0.00 C ATOM 573 CD2 LEU A 35 10.119 -3.353 5.561 1.00 0.00 C ATOM 0 H LEU A 35 11.803 -3.916 3.669 1.00 0.00 H new ATOM 0 HA LEU A 35 13.996 -5.153 5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.347 -5.578 7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.477 -3.864 6.664 1.00 0.00 H new ATOM 0 HG LEU A 35 10.243 -5.503 5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.761 -4.899 7.354 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.094 -5.968 7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.166 -4.227 8.215 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.032 -3.317 5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.461 -2.557 6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.559 -3.218 4.573 1.00 0.00 H new ATOM 585 N TRP A 36 12.804 -7.546 5.231 1.00 0.00 N ATOM 586 CA TRP A 36 12.513 -8.951 4.906 1.00 0.00 C ATOM 587 C TRP A 36 10.992 -9.254 4.953 1.00 0.00 C ATOM 588 O TRP A 36 10.301 -8.878 5.907 1.00 0.00 O ATOM 589 CB TRP A 36 13.279 -9.871 5.892 1.00 0.00 C ATOM 590 CG TRP A 36 14.756 -9.553 6.042 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.410 -9.200 7.192 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.753 -9.546 5.010 1.00 0.00 C ATOM 593 NE1 TRP A 36 16.739 -8.988 6.938 1.00 0.00 N ATOM 594 CE2 TRP A 36 16.979 -9.195 5.610 1.00 0.00 C ATOM 595 CE3 TRP A 36 15.729 -9.813 3.645 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.164 -9.095 4.889 1.00 0.00 C ATOM 597 CZ3 TRP A 36 16.900 -9.710 2.928 1.00 0.00 C ATOM 598 CH2 TRP A 36 18.108 -9.360 3.547 1.00 0.00 C ATOM 0 H TRP A 36 13.253 -7.429 6.139 1.00 0.00 H new ATOM 0 HA TRP A 36 12.845 -9.143 3.886 1.00 0.00 H new ATOM 0 HB2 TRP A 36 12.806 -9.804 6.872 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.176 -10.904 5.558 1.00 0.00 H new ATOM 0 HD1 TRP A 36 14.944 -9.103 8.161 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.438 -8.719 7.630 1.00 0.00 H new ATOM 0 HE3 TRP A 36 14.808 -10.096 3.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 19.092 -8.819 5.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 16.887 -9.903 1.865 1.00 0.00 H new ATOM 0 HH2 TRP A 36 19.009 -9.298 2.955 1.00 0.00 H new ATOM 609 N ALA A 37 10.503 -9.938 3.901 1.00 0.00 N ATOM 610 CA ALA A 37 9.104 -10.408 3.787 1.00 0.00 C ATOM 611 C ALA A 37 9.053 -11.845 3.270 1.00 0.00 C ATOM 612 O ALA A 37 10.078 -12.460 3.084 1.00 0.00 O ATOM 613 CB ALA A 37 8.305 -9.503 2.849 1.00 0.00 C ATOM 0 H ALA A 37 11.075 -10.185 3.093 1.00 0.00 H new ATOM 0 HA ALA A 37 8.661 -10.373 4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.280 -9.866 2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.304 -8.485 3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.761 -9.512 1.859 1.00 0.00 H new ATOM 619 N SER A 38 7.838 -12.384 3.112 1.00 0.00 N ATOM 620 CA SER A 38 7.569 -13.598 2.350 1.00 0.00 C ATOM 621 C SER A 38 6.270 -13.358 1.553 1.00 0.00 C ATOM 622 O SER A 38 5.172 -13.381 2.115 1.00 0.00 O ATOM 623 CB SER A 38 7.433 -14.805 3.305 1.00 0.00 C ATOM 624 OG SER A 38 7.329 -16.016 2.584 1.00 0.00 O ATOM 0 H SER A 38 6.999 -11.975 3.522 1.00 0.00 H new ATOM 0 HA SER A 38 8.387 -13.825 1.666 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.297 -14.846 3.969 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.553 -14.677 3.935 1.00 0.00 H new ATOM 0 HG SER A 38 7.246 -16.764 3.211 1.00 0.00 H new ATOM 630 N VAL A 39 6.430 -13.079 0.255 1.00 0.00 N ATOM 631 CA VAL A 39 5.344 -12.670 -0.646 1.00 0.00 C ATOM 632 C VAL A 39 4.735 -13.907 -1.336 1.00 0.00 C ATOM 633 O VAL A 39 5.362 -14.526 -2.203 1.00 0.00 O ATOM 634 CB VAL A 39 5.888 -11.644 -1.710 1.00 0.00 C ATOM 635 CG1 VAL A 39 4.775 -11.162 -2.679 1.00 0.00 C ATOM 636 CG2 VAL A 39 6.577 -10.450 -0.998 1.00 0.00 C ATOM 0 H VAL A 39 7.337 -13.132 -0.209 1.00 0.00 H new ATOM 0 HA VAL A 39 4.560 -12.182 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 39 6.629 -12.158 -2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.196 -10.456 -3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.362 -12.018 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.984 -10.673 -2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.949 -9.747 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.857 -9.947 -0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.409 -10.816 -0.397 1.00 0.00 H new ATOM 646 N ASN A 40 3.528 -14.288 -0.899 1.00 0.00 N ATOM 647 CA ASN A 40 2.748 -15.410 -1.448 1.00 0.00 C ATOM 648 C ASN A 40 1.438 -14.903 -2.067 1.00 0.00 C ATOM 649 O ASN A 40 0.541 -14.490 -1.339 1.00 0.00 O ATOM 650 CB ASN A 40 2.435 -16.412 -0.295 1.00 0.00 C ATOM 651 CG ASN A 40 3.683 -17.090 0.265 1.00 0.00 C ATOM 652 OD1 ASN A 40 4.551 -17.533 -0.626 1.00 0.00 O flip ATOM 653 ND2 ASN A 40 3.839 -17.265 1.479 1.00 0.00 N flip ATOM 0 H ASN A 40 3.052 -13.813 -0.132 1.00 0.00 H new ATOM 0 HA ASN A 40 3.326 -15.905 -2.229 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.924 -15.883 0.510 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.748 -17.175 -0.661 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.147 -16.909 2.139 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.659 -17.766 1.821 1.00 0.00 H new ATOM 660 N MET A 41 1.325 -14.930 -3.404 1.00 0.00 N ATOM 661 CA MET A 41 0.070 -14.579 -4.096 1.00 0.00 C ATOM 662 C MET A 41 -0.988 -15.662 -3.806 1.00 0.00 C ATOM 663 O MET A 41 -0.723 -16.853 -4.013 1.00 0.00 O ATOM 664 CB MET A 41 0.308 -14.446 -5.622 1.00 0.00 C ATOM 665 CG MET A 41 1.351 -13.387 -6.019 1.00 0.00 C ATOM 666 SD MET A 41 1.546 -13.219 -7.809 1.00 0.00 S ATOM 667 CE MET A 41 -0.072 -12.613 -8.313 1.00 0.00 C ATOM 0 H MET A 41 2.087 -15.191 -4.030 1.00 0.00 H new ATOM 0 HA MET A 41 -0.288 -13.617 -3.728 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.625 -15.413 -6.012 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.639 -14.203 -6.104 1.00 0.00 H new ATOM 0 HG2 MET A 41 1.060 -12.424 -5.599 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.313 -13.650 -5.578 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.013 -12.218 -9.327 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.792 -13.431 -8.283 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.392 -11.823 -7.634 1.00 0.00 H new ATOM 677 N VAL A 42 -2.160 -15.241 -3.297 1.00 0.00 N ATOM 678 CA VAL A 42 -3.253 -16.147 -2.898 1.00 0.00 C ATOM 679 C VAL A 42 -3.713 -17.020 -4.089 1.00 0.00 C ATOM 680 O VAL A 42 -3.809 -16.543 -5.235 1.00 0.00 O ATOM 681 CB VAL A 42 -4.487 -15.370 -2.260 1.00 0.00 C ATOM 682 CG1 VAL A 42 -4.023 -14.298 -1.235 1.00 0.00 C ATOM 683 CG2 VAL A 42 -5.446 -14.774 -3.317 1.00 0.00 C ATOM 0 H VAL A 42 -2.377 -14.255 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.851 -16.799 -2.123 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.066 -16.118 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.894 -13.789 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.468 -14.780 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.381 -13.572 -1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.265 -14.258 -2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.902 -14.068 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.848 -15.576 -3.937 1.00 0.00 H new ATOM 693 N SER A 43 -3.955 -18.306 -3.808 1.00 0.00 N ATOM 694 CA SER A 43 -4.370 -19.284 -4.819 1.00 0.00 C ATOM 695 C SER A 43 -5.904 -19.445 -4.793 1.00 0.00 C ATOM 696 O SER A 43 -6.597 -18.769 -4.012 1.00 0.00 O ATOM 697 CB SER A 43 -3.640 -20.627 -4.556 1.00 0.00 C ATOM 698 OG SER A 43 -3.814 -21.528 -5.628 1.00 0.00 O ATOM 0 H SER A 43 -3.868 -18.698 -2.870 1.00 0.00 H new ATOM 0 HA SER A 43 -4.096 -18.939 -5.816 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.577 -20.441 -4.404 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.019 -21.075 -3.637 1.00 0.00 H new ATOM 0 HG SER A 43 -3.341 -22.364 -5.433 1.00 0.00 H new ATOM 704 N SER A 44 -6.414 -20.353 -5.648 1.00 0.00 N ATOM 705 CA SER A 44 -7.848 -20.645 -5.775 1.00 0.00 C ATOM 706 C SER A 44 -8.457 -21.119 -4.438 1.00 0.00 C ATOM 707 O SER A 44 -9.590 -20.768 -4.125 1.00 0.00 O ATOM 708 CB SER A 44 -8.058 -21.716 -6.867 1.00 0.00 C ATOM 709 OG SER A 44 -7.380 -21.374 -8.066 1.00 0.00 O ATOM 0 H SER A 44 -5.832 -20.908 -6.275 1.00 0.00 H new ATOM 0 HA SER A 44 -8.360 -19.725 -6.056 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.699 -22.680 -6.507 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.123 -21.828 -7.069 1.00 0.00 H new ATOM 0 HG SER A 44 -7.531 -22.072 -8.737 1.00 0.00 H new ATOM 715 N LYS A 45 -7.668 -21.881 -3.655 1.00 0.00 N ATOM 716 CA LYS A 45 -8.110 -22.491 -2.381 1.00 0.00 C ATOM 717 C LYS A 45 -8.733 -21.453 -1.421 1.00 0.00 C ATOM 718 O LYS A 45 -9.926 -21.539 -1.097 1.00 0.00 O ATOM 719 CB LYS A 45 -6.905 -23.205 -1.717 1.00 0.00 C ATOM 720 CG LYS A 45 -7.164 -23.803 -0.312 1.00 0.00 C ATOM 721 CD LYS A 45 -5.898 -24.458 0.290 1.00 0.00 C ATOM 722 CE LYS A 45 -6.141 -25.061 1.684 1.00 0.00 C ATOM 723 NZ LYS A 45 -6.457 -24.018 2.690 1.00 0.00 N ATOM 0 H LYS A 45 -6.698 -22.093 -3.889 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.893 -23.217 -2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.574 -24.007 -2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.082 -22.494 -1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.516 -23.017 0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.959 -24.546 -0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.545 -25.240 -0.382 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.105 -23.713 0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.962 -25.776 1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.256 -25.614 2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.530 -24.454 3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.702 -23.303 2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.361 -23.564 2.447 1.00 0.00 H new ATOM 737 N GLU A 46 -7.935 -20.450 -1.022 1.00 0.00 N ATOM 738 CA GLU A 46 -8.351 -19.452 -0.015 1.00 0.00 C ATOM 739 C GLU A 46 -9.260 -18.368 -0.632 1.00 0.00 C ATOM 740 O GLU A 46 -10.039 -17.734 0.084 1.00 0.00 O ATOM 741 CB GLU A 46 -7.116 -18.825 0.681 1.00 0.00 C ATOM 742 CG GLU A 46 -6.227 -17.940 -0.211 1.00 0.00 C ATOM 743 CD GLU A 46 -4.897 -17.545 0.464 1.00 0.00 C ATOM 744 OE1 GLU A 46 -4.868 -16.549 1.216 1.00 0.00 O ATOM 745 OE2 GLU A 46 -3.874 -18.233 0.244 1.00 0.00 O ATOM 0 H GLU A 46 -6.992 -20.306 -1.382 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.938 -19.970 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.461 -18.228 1.525 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.504 -19.629 1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.013 -18.469 -1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.775 -17.036 -0.478 1.00 0.00 H new ATOM 752 N ALA A 47 -9.152 -18.159 -1.960 1.00 0.00 N ATOM 753 CA ALA A 47 -10.033 -17.228 -2.694 1.00 0.00 C ATOM 754 C ALA A 47 -11.506 -17.719 -2.688 1.00 0.00 C ATOM 755 O ALA A 47 -12.415 -16.997 -2.264 1.00 0.00 O ATOM 756 CB ALA A 47 -9.510 -17.049 -4.126 1.00 0.00 C ATOM 0 H ALA A 47 -8.460 -18.625 -2.548 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.020 -16.261 -2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.160 -16.362 -4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.499 -16.644 -4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.499 -18.014 -4.633 1.00 0.00 H new ATOM 762 N ILE A 48 -11.707 -18.965 -3.161 1.00 0.00 N ATOM 763 CA ILE A 48 -13.021 -19.657 -3.148 1.00 0.00 C ATOM 764 C ILE A 48 -13.554 -19.815 -1.699 1.00 0.00 C ATOM 765 O ILE A 48 -14.762 -19.672 -1.455 1.00 0.00 O ATOM 766 CB ILE A 48 -12.927 -21.078 -3.840 1.00 0.00 C ATOM 767 CG1 ILE A 48 -12.459 -20.959 -5.330 1.00 0.00 C ATOM 768 CG2 ILE A 48 -14.266 -21.858 -3.748 1.00 0.00 C ATOM 769 CD1 ILE A 48 -12.141 -22.292 -6.008 1.00 0.00 C ATOM 0 H ILE A 48 -10.959 -19.528 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.718 -19.038 -3.714 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.176 -21.646 -3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.237 -20.453 -5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -11.572 -20.327 -5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -14.157 -22.827 -4.235 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.530 -22.006 -2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.053 -21.289 -4.243 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.826 -22.111 -7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -11.340 -22.794 -5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -13.030 -22.922 -6.007 1.00 0.00 H new ATOM 781 N SER A 49 -12.629 -20.080 -0.759 1.00 0.00 N ATOM 782 CA SER A 49 -12.945 -20.276 0.670 1.00 0.00 C ATOM 783 C SER A 49 -13.635 -19.033 1.261 1.00 0.00 C ATOM 784 O SER A 49 -14.670 -19.141 1.922 1.00 0.00 O ATOM 785 CB SER A 49 -11.654 -20.608 1.456 1.00 0.00 C ATOM 786 OG SER A 49 -11.909 -20.868 2.823 1.00 0.00 O ATOM 0 H SER A 49 -11.635 -20.165 -0.969 1.00 0.00 H new ATOM 0 HA SER A 49 -13.637 -21.113 0.758 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.171 -21.476 1.007 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.955 -19.776 1.371 1.00 0.00 H new ATOM 0 HG SER A 49 -11.067 -21.074 3.279 1.00 0.00 H new ATOM 792 N SER A 50 -13.068 -17.854 0.971 1.00 0.00 N ATOM 793 CA SER A 50 -13.600 -16.561 1.445 1.00 0.00 C ATOM 794 C SER A 50 -14.756 -16.058 0.537 1.00 0.00 C ATOM 795 O SER A 50 -15.485 -15.118 0.897 1.00 0.00 O ATOM 796 CB SER A 50 -12.454 -15.536 1.485 1.00 0.00 C ATOM 797 OG SER A 50 -11.887 -15.367 0.204 1.00 0.00 O ATOM 0 H SER A 50 -12.227 -17.766 0.401 1.00 0.00 H new ATOM 0 HA SER A 50 -14.011 -16.691 2.446 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.828 -14.580 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.688 -15.868 2.186 1.00 0.00 H new ATOM 0 HG SER A 50 -11.284 -16.115 0.012 1.00 0.00 H new ATOM 803 N GLY A 51 -14.896 -16.685 -0.648 1.00 0.00 N ATOM 804 CA GLY A 51 -15.962 -16.370 -1.604 1.00 0.00 C ATOM 805 C GLY A 51 -15.513 -15.339 -2.631 1.00 0.00 C ATOM 806 O GLY A 51 -15.027 -15.697 -3.709 1.00 0.00 O ATOM 0 H GLY A 51 -14.269 -17.425 -0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.273 -17.281 -2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.832 -15.993 -1.067 1.00 0.00 H new ATOM 810 N ALA A 52 -15.662 -14.049 -2.286 1.00 0.00 N ATOM 811 CA ALA A 52 -15.246 -12.914 -3.141 1.00 0.00 C ATOM 812 C ALA A 52 -14.357 -11.930 -2.363 1.00 0.00 C ATOM 813 O ALA A 52 -13.894 -10.931 -2.925 1.00 0.00 O ATOM 814 CB ALA A 52 -16.487 -12.207 -3.713 1.00 0.00 C ATOM 0 H ALA A 52 -16.077 -13.758 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.653 -13.302 -3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.174 -11.373 -4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.065 -12.913 -4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.103 -11.834 -2.895 1.00 0.00 H new ATOM 820 N GLU A 53 -14.129 -12.221 -1.063 1.00 0.00 N ATOM 821 CA GLU A 53 -13.296 -11.388 -0.178 1.00 0.00 C ATOM 822 C GLU A 53 -11.829 -11.415 -0.663 1.00 0.00 C ATOM 823 O GLU A 53 -11.273 -10.385 -1.060 1.00 0.00 O ATOM 824 CB GLU A 53 -13.434 -11.884 1.286 1.00 0.00 C ATOM 825 CG GLU A 53 -12.509 -11.187 2.303 1.00 0.00 C ATOM 826 CD GLU A 53 -12.653 -11.754 3.725 1.00 0.00 C ATOM 827 OE1 GLU A 53 -12.208 -12.893 3.959 1.00 0.00 O ATOM 828 OE2 GLU A 53 -13.215 -11.068 4.612 1.00 0.00 O ATOM 0 H GLU A 53 -14.520 -13.042 -0.601 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.635 -10.352 -0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.467 -11.746 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -13.234 -12.955 1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.474 -11.292 1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.731 -10.120 2.318 1.00 0.00 H new ATOM 835 N LEU A 54 -11.219 -12.612 -0.634 1.00 0.00 N ATOM 836 CA LEU A 54 -9.958 -12.891 -1.334 1.00 0.00 C ATOM 837 C LEU A 54 -10.324 -13.371 -2.744 1.00 0.00 C ATOM 838 O LEU A 54 -11.285 -14.128 -2.915 1.00 0.00 O ATOM 839 CB LEU A 54 -9.106 -13.961 -0.583 1.00 0.00 C ATOM 840 CG LEU A 54 -8.676 -13.598 0.879 1.00 0.00 C ATOM 841 CD1 LEU A 54 -7.914 -14.770 1.546 1.00 0.00 C ATOM 842 CD2 LEU A 54 -7.849 -12.286 0.909 1.00 0.00 C ATOM 0 H LEU A 54 -11.589 -13.413 -0.123 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.345 -11.991 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.673 -14.891 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.206 -14.155 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.581 -13.426 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.629 -14.488 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.557 -15.649 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.019 -14.998 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.564 -12.059 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.952 -12.408 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.449 -11.468 0.510 1.00 0.00 H new ATOM 854 N ALA A 55 -9.580 -12.894 -3.735 1.00 0.00 N ATOM 855 CA ALA A 55 -9.784 -13.233 -5.153 1.00 0.00 C ATOM 856 C ALA A 55 -8.443 -13.700 -5.727 1.00 0.00 C ATOM 857 O ALA A 55 -7.411 -13.185 -5.322 1.00 0.00 O ATOM 858 CB ALA A 55 -10.337 -12.002 -5.899 1.00 0.00 C ATOM 0 H ALA A 55 -8.804 -12.250 -3.582 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.512 -14.036 -5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.489 -12.251 -6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.287 -11.704 -5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.626 -11.179 -5.820 1.00 0.00 H new ATOM 864 N ILE A 56 -8.455 -14.678 -6.652 1.00 0.00 N ATOM 865 CA ILE A 56 -7.209 -15.305 -7.175 1.00 0.00 C ATOM 866 C ILE A 56 -6.338 -14.247 -7.914 1.00 0.00 C ATOM 867 O ILE A 56 -6.742 -13.746 -8.970 1.00 0.00 O ATOM 868 CB ILE A 56 -7.508 -16.493 -8.176 1.00 0.00 C ATOM 869 CG1 ILE A 56 -8.676 -17.400 -7.670 1.00 0.00 C ATOM 870 CG2 ILE A 56 -6.224 -17.337 -8.421 1.00 0.00 C ATOM 871 CD1 ILE A 56 -9.188 -18.421 -8.681 1.00 0.00 C ATOM 0 H ILE A 56 -9.311 -15.057 -7.058 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.677 -15.704 -6.311 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.824 -16.053 -9.122 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -8.343 -17.931 -6.778 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.507 -16.762 -7.369 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.449 -18.149 -9.112 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.447 -16.702 -8.848 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.875 -17.751 -7.475 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.996 -19.001 -8.235 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.558 -17.903 -9.566 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.376 -19.090 -8.965 1.00 0.00 H new ATOM 883 N GLY A 57 -5.154 -13.932 -7.357 1.00 0.00 N ATOM 884 CA GLY A 57 -4.291 -12.831 -7.857 1.00 0.00 C ATOM 885 C GLY A 57 -4.089 -11.716 -6.825 1.00 0.00 C ATOM 886 O GLY A 57 -3.238 -10.832 -6.999 1.00 0.00 O ATOM 0 H GLY A 57 -4.765 -14.426 -6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.320 -13.237 -8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.735 -12.409 -8.758 1.00 0.00 H new ATOM 890 N THR A 58 -4.882 -11.781 -5.739 1.00 0.00 N ATOM 891 CA THR A 58 -4.636 -11.038 -4.486 1.00 0.00 C ATOM 892 C THR A 58 -3.311 -11.548 -3.881 1.00 0.00 C ATOM 893 O THR A 58 -2.966 -12.705 -4.063 1.00 0.00 O ATOM 894 CB THR A 58 -5.844 -11.240 -3.498 1.00 0.00 C ATOM 895 OG1 THR A 58 -7.016 -10.597 -4.018 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.583 -10.750 -2.069 1.00 0.00 C ATOM 0 H THR A 58 -5.722 -12.358 -5.705 1.00 0.00 H new ATOM 0 HA THR A 58 -4.552 -9.968 -4.677 1.00 0.00 H new ATOM 0 HB THR A 58 -5.989 -12.318 -3.428 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.494 -11.216 -4.608 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.467 -10.928 -1.456 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.735 -11.290 -1.648 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.361 -9.683 -2.085 1.00 0.00 H new ATOM 904 N VAL A 59 -2.553 -10.676 -3.209 1.00 0.00 N ATOM 905 CA VAL A 59 -1.173 -10.970 -2.773 1.00 0.00 C ATOM 906 C VAL A 59 -1.058 -10.882 -1.240 1.00 0.00 C ATOM 907 O VAL A 59 -1.367 -9.854 -0.651 1.00 0.00 O ATOM 908 CB VAL A 59 -0.166 -9.976 -3.450 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.296 -10.301 -3.062 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.357 -9.975 -4.991 1.00 0.00 C ATOM 0 H VAL A 59 -2.874 -9.743 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.924 -11.986 -3.080 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.380 -8.973 -3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.967 -9.593 -3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.411 -10.226 -1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.541 -11.313 -3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.350 -9.280 -5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.180 -10.978 -5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.374 -9.667 -5.231 1.00 0.00 H new ATOM 920 N ARG A 60 -0.599 -11.966 -0.607 1.00 0.00 N ATOM 921 CA ARG A 60 -0.444 -12.054 0.854 1.00 0.00 C ATOM 922 C ARG A 60 1.054 -11.911 1.182 1.00 0.00 C ATOM 923 O ARG A 60 1.873 -12.582 0.571 1.00 0.00 O ATOM 924 CB ARG A 60 -1.020 -13.414 1.324 1.00 0.00 C ATOM 925 CG ARG A 60 -1.331 -13.512 2.831 1.00 0.00 C ATOM 926 CD ARG A 60 -2.022 -14.845 3.178 1.00 0.00 C ATOM 927 NE ARG A 60 -2.605 -14.845 4.531 1.00 0.00 N ATOM 928 CZ ARG A 60 -3.879 -15.152 4.815 1.00 0.00 C ATOM 929 NH1 ARG A 60 -4.724 -15.515 3.857 1.00 0.00 N ATOM 930 NH2 ARG A 60 -4.303 -15.103 6.061 1.00 0.00 N ATOM 0 H ARG A 60 -0.321 -12.817 -1.096 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.985 -11.263 1.374 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.935 -13.614 0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.311 -14.200 1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.407 -13.421 3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.971 -12.681 3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.807 -15.044 2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.299 -15.657 3.098 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.995 -14.593 5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.407 -15.563 2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.690 -15.745 4.089 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.663 -14.832 6.807 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.272 -15.336 6.280 1.00 0.00 H new ATOM 944 N ILE A 61 1.408 -11.032 2.127 1.00 0.00 N ATOM 945 CA ILE A 61 2.807 -10.582 2.342 1.00 0.00 C ATOM 946 C ILE A 61 3.124 -10.616 3.847 1.00 0.00 C ATOM 947 O ILE A 61 2.548 -9.873 4.624 1.00 0.00 O ATOM 948 CB ILE A 61 3.044 -9.137 1.745 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.757 -9.139 0.204 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.476 -8.617 2.062 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.785 -7.782 -0.466 1.00 0.00 C ATOM 0 H ILE A 61 0.740 -10.607 2.769 1.00 0.00 H new ATOM 0 HA ILE A 61 3.481 -11.259 1.817 1.00 0.00 H new ATOM 0 HB ILE A 61 2.347 -8.448 2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.491 -9.781 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.778 -9.588 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.604 -7.622 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.616 -8.571 3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.213 -9.294 1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.574 -7.897 -1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.031 -7.137 -0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.770 -7.333 -0.338 1.00 0.00 H new ATOM 963 N TRP A 62 4.028 -11.514 4.241 1.00 0.00 N ATOM 964 CA TRP A 62 4.361 -11.772 5.656 1.00 0.00 C ATOM 965 C TRP A 62 5.677 -11.087 6.010 1.00 0.00 C ATOM 966 O TRP A 62 6.713 -11.466 5.498 1.00 0.00 O ATOM 967 CB TRP A 62 4.478 -13.309 5.887 1.00 0.00 C ATOM 968 CG TRP A 62 3.204 -14.080 5.602 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.503 -14.129 4.425 1.00 0.00 C ATOM 970 CD2 TRP A 62 2.507 -14.938 6.508 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.405 -14.925 4.564 1.00 0.00 N ATOM 972 CE2 TRP A 62 1.389 -15.443 5.827 1.00 0.00 C ATOM 973 CE3 TRP A 62 2.719 -15.317 7.835 1.00 0.00 C ATOM 974 CZ2 TRP A 62 0.492 -16.312 6.426 1.00 0.00 C ATOM 975 CZ3 TRP A 62 1.828 -16.183 8.431 1.00 0.00 C ATOM 976 CH2 TRP A 62 0.721 -16.669 7.728 1.00 0.00 C ATOM 0 H TRP A 62 4.558 -12.091 3.587 1.00 0.00 H new ATOM 0 HA TRP A 62 3.574 -11.372 6.295 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.275 -13.700 5.255 1.00 0.00 H new ATOM 0 HB3 TRP A 62 4.774 -13.488 6.921 1.00 0.00 H new ATOM 0 HD1 TRP A 62 2.780 -13.612 3.518 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.708 -15.105 3.841 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.567 -14.938 8.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.360 -16.695 5.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 1.987 -16.490 9.454 1.00 0.00 H new ATOM 0 HH2 TRP A 62 0.033 -17.339 8.222 1.00 0.00 H new ATOM 987 N ILE A 63 5.630 -10.102 6.916 1.00 0.00 N ATOM 988 CA ILE A 63 6.831 -9.365 7.383 1.00 0.00 C ATOM 989 C ILE A 63 6.949 -9.533 8.902 1.00 0.00 C ATOM 990 O ILE A 63 6.003 -9.987 9.541 1.00 0.00 O ATOM 991 CB ILE A 63 6.786 -7.829 7.027 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.583 -7.114 7.709 1.00 0.00 C ATOM 993 CG2 ILE A 63 6.758 -7.606 5.499 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.610 -5.595 7.615 1.00 0.00 C ATOM 0 H ILE A 63 4.763 -9.787 7.351 1.00 0.00 H new ATOM 0 HA ILE A 63 7.697 -9.784 6.870 1.00 0.00 H new ATOM 0 HB ILE A 63 7.701 -7.385 7.418 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.659 -7.476 7.258 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.557 -7.399 8.761 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.727 -6.537 5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.653 -8.039 5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.874 -8.085 5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.734 -5.184 8.117 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.513 -5.217 8.093 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.602 -5.295 6.567 1.00 0.00 H new ATOM 1006 N ARG A 64 8.125 -9.236 9.462 1.00 0.00 N ATOM 1007 CA ARG A 64 8.298 -9.107 10.927 1.00 0.00 C ATOM 1008 C ARG A 64 7.414 -7.989 11.531 1.00 0.00 C ATOM 1009 O ARG A 64 7.007 -7.050 10.832 1.00 0.00 O ATOM 1010 CB ARG A 64 9.797 -8.898 11.280 1.00 0.00 C ATOM 1011 CG ARG A 64 10.633 -10.198 11.287 1.00 0.00 C ATOM 1012 CD ARG A 64 10.117 -11.191 12.344 1.00 0.00 C ATOM 1013 NE ARG A 64 10.899 -12.435 12.402 1.00 0.00 N ATOM 1014 CZ ARG A 64 10.549 -13.511 13.125 1.00 0.00 C ATOM 1015 NH1 ARG A 64 9.453 -13.499 13.876 1.00 0.00 N ATOM 1016 NH2 ARG A 64 11.312 -14.588 13.115 1.00 0.00 N ATOM 0 H ARG A 64 8.979 -9.078 8.928 1.00 0.00 H new ATOM 0 HA ARG A 64 7.962 -10.041 11.378 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.234 -8.202 10.564 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.866 -8.430 12.262 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.596 -10.662 10.301 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.677 -9.960 11.488 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.136 -10.712 13.323 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.077 -11.433 12.128 1.00 0.00 H new ATOM 0 HE ARG A 64 11.761 -12.484 11.859 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.866 -12.666 13.908 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.199 -14.323 14.420 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.167 -14.602 12.558 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.047 -15.406 13.664 1.00 0.00 H new ATOM 1030 N TYR A 65 7.145 -8.121 12.848 1.00 0.00 N ATOM 1031 CA TYR A 65 6.195 -7.265 13.588 1.00 0.00 C ATOM 1032 C TYR A 65 6.681 -5.822 13.611 1.00 0.00 C ATOM 1033 O TYR A 65 7.595 -5.477 14.357 1.00 0.00 O ATOM 1034 CB TYR A 65 6.004 -7.798 15.030 1.00 0.00 C ATOM 1035 CG TYR A 65 4.918 -7.071 15.841 1.00 0.00 C ATOM 1036 CD1 TYR A 65 3.566 -7.369 15.660 1.00 0.00 C ATOM 1037 CD2 TYR A 65 5.240 -6.110 16.796 1.00 0.00 C ATOM 1038 CE1 TYR A 65 2.587 -6.716 16.389 1.00 0.00 C ATOM 1039 CE2 TYR A 65 4.267 -5.463 17.522 1.00 0.00 C ATOM 1040 CZ TYR A 65 2.948 -5.774 17.326 1.00 0.00 C ATOM 1041 OH TYR A 65 1.985 -5.121 18.061 1.00 0.00 O ATOM 0 H TYR A 65 7.586 -8.832 13.432 1.00 0.00 H new ATOM 0 HA TYR A 65 5.232 -7.293 13.077 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.755 -8.858 14.982 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.952 -7.717 15.562 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.279 -8.121 14.940 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.278 -5.867 16.971 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.545 -6.944 16.223 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.543 -4.711 18.246 1.00 0.00 H new ATOM 0 HH TYR A 65 2.415 -4.491 18.676 1.00 0.00 H new ATOM 1051 N ARG A 66 6.090 -4.995 12.748 1.00 0.00 N ATOM 1052 CA ARG A 66 6.462 -3.588 12.624 1.00 0.00 C ATOM 1053 C ARG A 66 5.244 -2.711 12.937 1.00 0.00 C ATOM 1054 O ARG A 66 4.222 -2.771 12.239 1.00 0.00 O ATOM 1055 CB ARG A 66 7.033 -3.305 11.213 1.00 0.00 C ATOM 1056 CG ARG A 66 7.601 -1.884 11.052 1.00 0.00 C ATOM 1057 CD ARG A 66 8.369 -1.677 9.746 1.00 0.00 C ATOM 1058 NE ARG A 66 8.907 -0.310 9.701 1.00 0.00 N ATOM 1059 CZ ARG A 66 8.816 0.536 8.672 1.00 0.00 C ATOM 1060 NH1 ARG A 66 8.281 0.158 7.514 1.00 0.00 N ATOM 1061 NH2 ARG A 66 9.288 1.765 8.806 1.00 0.00 N ATOM 0 H ARG A 66 5.342 -5.282 12.117 1.00 0.00 H new ATOM 0 HA ARG A 66 7.246 -3.348 13.342 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.819 -4.028 10.997 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.246 -3.459 10.474 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.782 -1.167 11.100 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.263 -1.669 11.891 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.181 -2.401 9.671 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.711 -1.848 8.894 1.00 0.00 H new ATOM 0 HE ARG A 66 9.395 0.023 10.533 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.931 -0.793 7.400 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.221 0.820 6.740 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.714 2.055 9.686 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.226 2.423 8.029 1.00 0.00 H new ATOM 1075 N LYS A 67 5.382 -1.882 13.988 1.00 0.00 N ATOM 1076 CA LYS A 67 4.293 -1.035 14.522 1.00 0.00 C ATOM 1077 C LYS A 67 4.096 0.230 13.648 1.00 0.00 C ATOM 1078 O LYS A 67 3.201 1.037 13.909 1.00 0.00 O ATOM 1079 CB LYS A 67 4.576 -0.600 16.007 1.00 0.00 C ATOM 1080 CG LYS A 67 5.023 -1.722 16.995 1.00 0.00 C ATOM 1081 CD LYS A 67 6.543 -2.034 16.919 1.00 0.00 C ATOM 1082 CE LYS A 67 7.017 -3.069 17.962 1.00 0.00 C ATOM 1083 NZ LYS A 67 6.846 -2.593 19.362 1.00 0.00 N ATOM 0 H LYS A 67 6.260 -1.778 14.497 1.00 0.00 H new ATOM 0 HA LYS A 67 3.383 -1.635 14.500 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.348 0.169 15.995 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.672 -0.138 16.404 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.770 -1.423 18.012 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.461 -2.631 16.781 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.780 -2.403 15.921 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.102 -1.109 17.058 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.460 -3.996 17.827 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.068 -3.300 17.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.256 -3.288 20.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.329 -1.679 19.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.833 -2.478 19.568 1.00 0.00 H new ATOM 1097 N ASP A 68 4.940 0.399 12.613 1.00 0.00 N ATOM 1098 CA ASP A 68 4.971 1.624 11.781 1.00 0.00 C ATOM 1099 C ASP A 68 4.057 1.475 10.544 1.00 0.00 C ATOM 1100 O ASP A 68 3.608 2.478 9.978 1.00 0.00 O ATOM 1101 CB ASP A 68 6.439 1.908 11.344 1.00 0.00 C ATOM 1102 CG ASP A 68 6.665 3.318 10.746 1.00 0.00 C ATOM 1103 OD1 ASP A 68 6.537 3.495 9.517 1.00 0.00 O ATOM 1104 OD2 ASP A 68 6.980 4.255 11.510 1.00 0.00 O ATOM 0 H ASP A 68 5.620 -0.306 12.328 1.00 0.00 H new ATOM 0 HA ASP A 68 4.598 2.463 12.369 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.093 1.783 12.207 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.737 1.162 10.607 1.00 0.00 H new ATOM 1109 N ILE A 69 3.751 0.216 10.163 1.00 0.00 N ATOM 1110 CA ILE A 69 2.961 -0.094 8.947 1.00 0.00 C ATOM 1111 C ILE A 69 1.506 0.375 9.112 1.00 0.00 C ATOM 1112 O ILE A 69 0.890 0.147 10.158 1.00 0.00 O ATOM 1113 CB ILE A 69 2.973 -1.639 8.610 1.00 0.00 C ATOM 1114 CG1 ILE A 69 4.436 -2.176 8.547 1.00 0.00 C ATOM 1115 CG2 ILE A 69 2.202 -1.939 7.286 1.00 0.00 C ATOM 1116 CD1 ILE A 69 5.297 -1.560 7.452 1.00 0.00 C ATOM 0 H ILE A 69 4.042 -0.611 10.685 1.00 0.00 H new ATOM 0 HA ILE A 69 3.430 0.441 8.121 1.00 0.00 H new ATOM 0 HB ILE A 69 2.454 -2.163 9.413 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.915 -1.998 9.510 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.406 -3.256 8.401 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.229 -3.010 7.084 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.166 -1.615 7.387 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.671 -1.402 6.462 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.296 -1.995 7.487 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.847 -1.761 6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.365 -0.483 7.605 1.00 0.00 H new ATOM 1128 N ASN A 70 0.979 1.033 8.073 1.00 0.00 N ATOM 1129 CA ASN A 70 -0.417 1.514 8.018 1.00 0.00 C ATOM 1130 C ASN A 70 -1.024 1.068 6.673 1.00 0.00 C ATOM 1131 O ASN A 70 -0.313 0.551 5.809 1.00 0.00 O ATOM 1132 CB ASN A 70 -0.443 3.073 8.161 1.00 0.00 C ATOM 1133 CG ASN A 70 -1.836 3.652 8.444 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -2.595 3.970 7.531 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -2.201 3.774 9.712 1.00 0.00 N ATOM 0 H ASN A 70 1.513 1.252 7.232 1.00 0.00 H new ATOM 0 HA ASN A 70 -1.004 1.096 8.835 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.231 3.365 8.967 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.055 3.518 7.245 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.126 4.137 9.944 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.557 3.505 10.456 1.00 0.00 H new ATOM 1142 N ALA A 71 -2.347 1.264 6.509 1.00 0.00 N ATOM 1143 CA ALA A 71 -3.053 1.052 5.225 1.00 0.00 C ATOM 1144 C ALA A 71 -2.566 2.052 4.151 1.00 0.00 C ATOM 1145 O ALA A 71 -2.640 1.786 2.942 1.00 0.00 O ATOM 1146 CB ALA A 71 -4.570 1.168 5.440 1.00 0.00 C ATOM 0 H ALA A 71 -2.960 1.574 7.263 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.827 0.049 4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.085 1.011 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.894 0.415 6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.808 2.160 5.823 1.00 0.00 H new ATOM 1152 N THR A 72 -2.035 3.196 4.632 1.00 0.00 N ATOM 1153 CA THR A 72 -1.410 4.244 3.810 1.00 0.00 C ATOM 1154 C THR A 72 0.088 3.927 3.571 1.00 0.00 C ATOM 1155 O THR A 72 0.967 4.798 3.681 1.00 0.00 O ATOM 1156 CB THR A 72 -1.570 5.642 4.509 1.00 0.00 C ATOM 1157 OG1 THR A 72 -0.939 5.629 5.804 1.00 0.00 O ATOM 1158 CG2 THR A 72 -3.046 6.041 4.682 1.00 0.00 C ATOM 0 H THR A 72 -2.031 3.418 5.628 1.00 0.00 H new ATOM 0 HA THR A 72 -1.911 4.275 2.843 1.00 0.00 H new ATOM 0 HB THR A 72 -1.090 6.374 3.860 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.515 5.161 6.444 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.105 7.014 5.170 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.525 6.095 3.705 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.555 5.297 5.295 1.00 0.00 H new ATOM 1166 N SER A 73 0.363 2.662 3.225 1.00 0.00 N ATOM 1167 CA SER A 73 1.697 2.174 2.859 1.00 0.00 C ATOM 1168 C SER A 73 1.542 1.173 1.710 1.00 0.00 C ATOM 1169 O SER A 73 0.778 0.220 1.835 1.00 0.00 O ATOM 1170 CB SER A 73 2.370 1.503 4.079 1.00 0.00 C ATOM 1171 OG SER A 73 2.438 2.391 5.184 1.00 0.00 O ATOM 0 H SER A 73 -0.352 1.935 3.191 1.00 0.00 H new ATOM 0 HA SER A 73 2.329 3.003 2.542 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.810 0.611 4.361 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.375 1.177 3.809 1.00 0.00 H new ATOM 0 HG SER A 73 2.866 1.939 5.941 1.00 0.00 H new ATOM 1177 N ARG A 74 2.201 1.416 0.568 1.00 0.00 N ATOM 1178 CA ARG A 74 2.188 0.468 -0.562 1.00 0.00 C ATOM 1179 C ARG A 74 3.424 -0.433 -0.462 1.00 0.00 C ATOM 1180 O ARG A 74 4.533 0.048 -0.229 1.00 0.00 O ATOM 1181 CB ARG A 74 2.174 1.208 -1.922 1.00 0.00 C ATOM 1182 CG ARG A 74 1.102 2.310 -2.039 1.00 0.00 C ATOM 1183 CD ARG A 74 1.155 3.081 -3.383 1.00 0.00 C ATOM 1184 NE ARG A 74 0.357 2.452 -4.446 1.00 0.00 N ATOM 1185 CZ ARG A 74 0.626 2.490 -5.759 1.00 0.00 C ATOM 1186 NH1 ARG A 74 1.769 2.986 -6.205 1.00 0.00 N ATOM 1187 NH2 ARG A 74 -0.249 1.995 -6.614 1.00 0.00 N ATOM 0 H ARG A 74 2.750 2.259 0.400 1.00 0.00 H new ATOM 0 HA ARG A 74 1.280 -0.132 -0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.155 1.653 -2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.016 0.479 -2.717 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.116 1.860 -1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.227 3.016 -1.218 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.798 4.099 -3.224 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.192 3.154 -3.711 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.477 1.940 -4.158 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.460 3.346 -5.547 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.959 3.008 -7.207 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.120 1.588 -6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.054 2.019 -7.615 1.00 0.00 H new ATOM 1201 N ILE A 75 3.216 -1.735 -0.619 1.00 0.00 N ATOM 1202 CA ILE A 75 4.258 -2.749 -0.476 1.00 0.00 C ATOM 1203 C ILE A 75 4.844 -3.104 -1.866 1.00 0.00 C ATOM 1204 O ILE A 75 4.285 -3.941 -2.588 1.00 0.00 O ATOM 1205 CB ILE A 75 3.663 -4.036 0.219 1.00 0.00 C ATOM 1206 CG1 ILE A 75 2.802 -3.682 1.483 1.00 0.00 C ATOM 1207 CG2 ILE A 75 4.786 -5.024 0.576 1.00 0.00 C ATOM 1208 CD1 ILE A 75 3.538 -2.967 2.600 1.00 0.00 C ATOM 0 H ILE A 75 2.303 -2.124 -0.853 1.00 0.00 H new ATOM 0 HA ILE A 75 5.060 -2.355 0.149 1.00 0.00 H new ATOM 0 HB ILE A 75 2.994 -4.513 -0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.965 -3.059 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.380 -4.604 1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.357 -5.905 1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.310 -5.323 -0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.488 -4.546 1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.850 -2.771 3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.358 -3.592 2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.936 -2.023 2.228 1.00 0.00 H new ATOM 1220 N LYS A 76 5.948 -2.441 -2.258 1.00 0.00 N ATOM 1221 CA LYS A 76 6.622 -2.706 -3.551 1.00 0.00 C ATOM 1222 C LYS A 76 7.761 -3.714 -3.349 1.00 0.00 C ATOM 1223 O LYS A 76 8.776 -3.389 -2.730 1.00 0.00 O ATOM 1224 CB LYS A 76 7.164 -1.398 -4.192 1.00 0.00 C ATOM 1225 CG LYS A 76 7.810 -1.604 -5.586 1.00 0.00 C ATOM 1226 CD LYS A 76 8.264 -0.286 -6.247 1.00 0.00 C ATOM 1227 CE LYS A 76 9.377 0.432 -5.465 1.00 0.00 C ATOM 1228 NZ LYS A 76 9.814 1.685 -6.128 1.00 0.00 N ATOM 0 H LYS A 76 6.396 -1.715 -1.699 1.00 0.00 H new ATOM 0 HA LYS A 76 5.886 -3.127 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.346 -0.683 -4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.901 -0.955 -3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.669 -2.268 -5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.095 -2.103 -6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.616 -0.496 -7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.406 0.380 -6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.022 0.660 -4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.231 -0.236 -5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.565 2.133 -5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.178 1.467 -7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.006 2.335 -6.208 1.00 0.00 H new ATOM 1242 N VAL A 77 7.593 -4.925 -3.898 1.00 0.00 N ATOM 1243 CA VAL A 77 8.535 -6.043 -3.695 1.00 0.00 C ATOM 1244 C VAL A 77 9.860 -5.774 -4.438 1.00 0.00 C ATOM 1245 O VAL A 77 9.858 -5.455 -5.629 1.00 0.00 O ATOM 1246 CB VAL A 77 7.909 -7.416 -4.155 1.00 0.00 C ATOM 1247 CG1 VAL A 77 8.860 -8.614 -3.894 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.534 -7.638 -3.487 1.00 0.00 C ATOM 0 H VAL A 77 6.801 -5.161 -4.496 1.00 0.00 H new ATOM 0 HA VAL A 77 8.742 -6.115 -2.627 1.00 0.00 H new ATOM 0 HB VAL A 77 7.764 -7.361 -5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.384 -9.536 -4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.790 -8.467 -4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.075 -8.682 -2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.119 -8.590 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.654 -7.650 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.858 -6.830 -3.768 1.00 0.00 H new ATOM 1258 N SER A 78 10.978 -5.904 -3.709 1.00 0.00 N ATOM 1259 CA SER A 78 12.332 -5.663 -4.232 1.00 0.00 C ATOM 1260 C SER A 78 12.944 -6.962 -4.736 1.00 0.00 C ATOM 1261 O SER A 78 13.757 -6.978 -5.668 1.00 0.00 O ATOM 1262 CB SER A 78 13.212 -5.090 -3.109 1.00 0.00 C ATOM 1263 OG SER A 78 12.736 -3.824 -2.693 1.00 0.00 O ATOM 0 H SER A 78 10.968 -6.183 -2.728 1.00 0.00 H new ATOM 0 HA SER A 78 12.272 -4.956 -5.060 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.221 -5.776 -2.262 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.241 -5.000 -3.457 1.00 0.00 H new ATOM 0 HG SER A 78 13.496 -3.228 -2.526 1.00 0.00 H new ATOM 1269 N THR A 79 12.512 -8.043 -4.100 1.00 0.00 N ATOM 1270 CA THR A 79 13.132 -9.347 -4.182 1.00 0.00 C ATOM 1271 C THR A 79 12.039 -10.391 -3.944 1.00 0.00 C ATOM 1272 O THR A 79 11.489 -10.451 -2.844 1.00 0.00 O ATOM 1273 CB THR A 79 14.258 -9.436 -3.094 1.00 0.00 C ATOM 1274 OG1 THR A 79 15.289 -8.485 -3.385 1.00 0.00 O ATOM 1275 CG2 THR A 79 14.876 -10.817 -2.982 1.00 0.00 C ATOM 0 H THR A 79 11.692 -8.029 -3.494 1.00 0.00 H new ATOM 0 HA THR A 79 13.589 -9.522 -5.156 1.00 0.00 H new ATOM 0 HB THR A 79 13.783 -9.216 -2.138 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.990 -8.543 -2.702 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.647 -10.809 -2.212 1.00 0.00 H new ATOM 0 HG22 THR A 79 14.105 -11.540 -2.716 1.00 0.00 H new ATOM 0 HG23 THR A 79 15.320 -11.095 -3.938 1.00 0.00 H new ATOM 1283 N GLY A 80 11.671 -11.147 -4.991 1.00 0.00 N ATOM 1284 CA GLY A 80 10.628 -12.175 -4.877 1.00 0.00 C ATOM 1285 C GLY A 80 9.883 -12.430 -6.175 1.00 0.00 C ATOM 1286 O GLY A 80 10.358 -12.031 -7.244 1.00 0.00 O ATOM 0 H GLY A 80 12.080 -11.065 -5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.083 -13.106 -4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.914 -11.873 -4.111 1.00 0.00 H new ATOM 1290 N PRO A 81 8.674 -13.086 -6.110 1.00 0.00 N ATOM 1291 CA PRO A 81 7.869 -13.441 -7.317 1.00 0.00 C ATOM 1292 C PRO A 81 7.296 -12.200 -8.043 1.00 0.00 C ATOM 1293 O PRO A 81 6.851 -12.288 -9.195 1.00 0.00 O ATOM 1294 CB PRO A 81 6.729 -14.327 -6.729 1.00 0.00 C ATOM 1295 CG PRO A 81 6.587 -13.853 -5.312 1.00 0.00 C ATOM 1296 CD PRO A 81 7.992 -13.530 -4.853 1.00 0.00 C ATOM 0 HA PRO A 81 8.467 -13.942 -8.078 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.800 -14.202 -7.286 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.986 -15.386 -6.771 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.943 -12.975 -5.254 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.136 -14.621 -4.684 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.997 -12.747 -4.095 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.482 -14.400 -4.416 1.00 0.00 H new ATOM 1304 N LEU A 82 7.299 -11.054 -7.339 1.00 0.00 N ATOM 1305 CA LEU A 82 6.773 -9.771 -7.841 1.00 0.00 C ATOM 1306 C LEU A 82 7.836 -8.665 -7.688 1.00 0.00 C ATOM 1307 O LEU A 82 7.498 -7.506 -7.438 1.00 0.00 O ATOM 1308 CB LEU A 82 5.480 -9.413 -7.048 1.00 0.00 C ATOM 1309 CG LEU A 82 4.305 -10.438 -7.151 1.00 0.00 C ATOM 1310 CD1 LEU A 82 3.159 -10.068 -6.193 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.811 -10.569 -8.612 1.00 0.00 C ATOM 0 H LEU A 82 7.672 -10.992 -6.392 1.00 0.00 H new ATOM 0 HA LEU A 82 6.531 -9.857 -8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.743 -9.297 -5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.122 -8.444 -7.395 1.00 0.00 H new ATOM 0 HG LEU A 82 4.680 -11.414 -6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.356 -10.799 -6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.529 -10.065 -5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.780 -9.078 -6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.993 -11.288 -8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.461 -9.599 -8.966 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.630 -10.912 -9.244 1.00 0.00 H new ATOM 1323 N ALA A 83 9.127 -9.037 -7.851 1.00 0.00 N ATOM 1324 CA ALA A 83 10.266 -8.102 -7.716 1.00 0.00 C ATOM 1325 C ALA A 83 10.224 -7.012 -8.809 1.00 0.00 C ATOM 1326 O ALA A 83 10.688 -7.224 -9.937 1.00 0.00 O ATOM 1327 CB ALA A 83 11.594 -8.876 -7.741 1.00 0.00 C ATOM 0 H ALA A 83 9.407 -9.991 -8.079 1.00 0.00 H new ATOM 0 HA ALA A 83 10.187 -7.595 -6.754 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.424 -8.177 -7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.616 -9.587 -6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.684 -9.414 -8.685 1.00 0.00 H new ATOM 1333 N GLY A 84 9.606 -5.870 -8.464 1.00 0.00 N ATOM 1334 CA GLY A 84 9.458 -4.724 -9.371 1.00 0.00 C ATOM 1335 C GLY A 84 8.043 -4.153 -9.376 1.00 0.00 C ATOM 1336 O GLY A 84 7.814 -3.053 -9.893 1.00 0.00 O ATOM 0 H GLY A 84 9.194 -5.717 -7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.159 -3.942 -9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.725 -5.030 -10.382 1.00 0.00 H new ATOM 1340 N ARG A 85 7.093 -4.913 -8.805 1.00 0.00 N ATOM 1341 CA ARG A 85 5.662 -4.549 -8.748 1.00 0.00 C ATOM 1342 C ARG A 85 5.331 -3.870 -7.411 1.00 0.00 C ATOM 1343 O ARG A 85 5.932 -4.194 -6.381 1.00 0.00 O ATOM 1344 CB ARG A 85 4.797 -5.825 -8.910 1.00 0.00 C ATOM 1345 CG ARG A 85 3.278 -5.573 -9.038 1.00 0.00 C ATOM 1346 CD ARG A 85 2.471 -6.852 -9.298 1.00 0.00 C ATOM 1347 NE ARG A 85 2.817 -7.487 -10.582 1.00 0.00 N ATOM 1348 CZ ARG A 85 2.245 -7.206 -11.761 1.00 0.00 C ATOM 1349 NH1 ARG A 85 1.401 -6.186 -11.897 1.00 0.00 N ATOM 1350 NH2 ARG A 85 2.571 -7.916 -12.830 1.00 0.00 N ATOM 0 H ARG A 85 7.297 -5.810 -8.364 1.00 0.00 H new ATOM 0 HA ARG A 85 5.445 -3.851 -9.557 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.136 -6.366 -9.794 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.971 -6.475 -8.052 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.916 -5.103 -8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.101 -4.868 -9.850 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.647 -7.559 -8.488 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.407 -6.615 -9.289 1.00 0.00 H new ATOM 0 HE ARG A 85 3.550 -8.196 -10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.177 -5.599 -11.094 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.978 -5.992 -12.805 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.253 -8.671 -12.753 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.140 -7.708 -13.731 1.00 0.00 H new ATOM 1364 N VAL A 86 4.343 -2.959 -7.439 1.00 0.00 N ATOM 1365 CA VAL A 86 3.859 -2.233 -6.249 1.00 0.00 C ATOM 1366 C VAL A 86 2.452 -2.756 -5.852 1.00 0.00 C ATOM 1367 O VAL A 86 1.429 -2.457 -6.488 1.00 0.00 O ATOM 1368 CB VAL A 86 3.885 -0.658 -6.441 1.00 0.00 C ATOM 1369 CG1 VAL A 86 3.013 -0.167 -7.632 1.00 0.00 C ATOM 1370 CG2 VAL A 86 3.522 0.066 -5.116 1.00 0.00 C ATOM 0 H VAL A 86 3.852 -2.703 -8.296 1.00 0.00 H new ATOM 0 HA VAL A 86 4.546 -2.433 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 86 4.909 -0.392 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.076 0.919 -7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.375 -0.615 -8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.976 -0.460 -7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.546 1.144 -5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.522 -0.232 -4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.242 -0.205 -4.344 1.00 0.00 H new ATOM 1380 N LEU A 87 2.438 -3.615 -4.824 1.00 0.00 N ATOM 1381 CA LEU A 87 1.221 -4.225 -4.277 1.00 0.00 C ATOM 1382 C LEU A 87 0.619 -3.285 -3.229 1.00 0.00 C ATOM 1383 O LEU A 87 1.323 -2.763 -2.374 1.00 0.00 O ATOM 1384 CB LEU A 87 1.507 -5.635 -3.671 1.00 0.00 C ATOM 1385 CG LEU A 87 2.097 -6.707 -4.642 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.238 -6.848 -5.906 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.575 -6.444 -4.994 1.00 0.00 C ATOM 0 H LEU A 87 3.287 -3.910 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 87 0.505 -4.371 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.198 -5.514 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.576 -6.024 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 87 2.071 -7.657 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.675 -7.601 -6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.228 -7.151 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.199 -5.892 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.931 -7.220 -5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.666 -5.471 -5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.173 -6.455 -4.083 1.00 0.00 H new ATOM 1399 N ASN A 88 -0.679 -3.038 -3.343 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.400 -2.066 -2.496 1.00 0.00 C ATOM 1401 C ASN A 88 -2.214 -2.821 -1.442 1.00 0.00 C ATOM 1402 O ASN A 88 -2.784 -3.871 -1.745 1.00 0.00 O ATOM 1403 CB ASN A 88 -2.325 -1.185 -3.380 1.00 0.00 C ATOM 1404 CG ASN A 88 -1.599 -0.227 -4.345 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -2.101 0.856 -4.641 1.00 0.00 O ATOM 1406 ND2 ASN A 88 -0.421 -0.591 -4.864 1.00 0.00 N ATOM 0 H ASN A 88 -1.275 -3.504 -4.027 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.687 -1.415 -1.990 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.973 -1.839 -3.963 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.970 -0.597 -2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.066 0.031 -5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.010 -1.491 -4.615 1.00 0.00 H new ATOM 1413 N ILE A 89 -2.305 -2.259 -0.222 1.00 0.00 N ATOM 1414 CA ILE A 89 -2.943 -2.945 0.924 1.00 0.00 C ATOM 1415 C ILE A 89 -4.471 -2.812 0.799 1.00 0.00 C ATOM 1416 O ILE A 89 -5.018 -1.718 0.962 1.00 0.00 O ATOM 1417 CB ILE A 89 -2.459 -2.371 2.319 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -0.904 -2.495 2.464 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -3.186 -3.061 3.514 1.00 0.00 C ATOM 1420 CD1 ILE A 89 -0.342 -1.971 3.786 1.00 0.00 C ATOM 0 H ILE A 89 -1.945 -1.330 -0.002 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.648 -3.994 0.895 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.723 -1.314 2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.625 -3.543 2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.432 -1.954 1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.825 -2.639 4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.260 -2.896 3.431 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.981 -4.131 3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.741 -2.098 3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.585 -0.914 3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.781 -2.528 4.614 1.00 0.00 H new ATOM 1432 N ILE A 90 -5.150 -3.924 0.471 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.629 -3.965 0.345 1.00 0.00 C ATOM 1434 C ILE A 90 -7.285 -4.258 1.720 1.00 0.00 C ATOM 1435 O ILE A 90 -8.011 -5.242 1.909 1.00 0.00 O ATOM 1436 CB ILE A 90 -7.093 -5.006 -0.753 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.463 -6.421 -0.506 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -6.766 -4.474 -2.172 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -7.072 -7.543 -1.323 1.00 0.00 C ATOM 0 H ILE A 90 -4.698 -4.819 0.285 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.965 -2.983 0.012 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.174 -5.124 -0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.396 -6.370 -0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.561 -6.667 0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.091 -5.201 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.286 -3.530 -2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.691 -4.317 -2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.571 -8.481 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.133 -7.628 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.950 -7.328 -2.385 1.00 0.00 H new ATOM 1451 N GLY A 91 -7.016 -3.363 2.677 1.00 0.00 N ATOM 1452 CA GLY A 91 -7.485 -3.496 4.051 1.00 0.00 C ATOM 1453 C GLY A 91 -6.595 -2.710 4.991 1.00 0.00 C ATOM 1454 O GLY A 91 -6.030 -1.683 4.601 1.00 0.00 O ATOM 0 H GLY A 91 -6.463 -2.522 2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.512 -3.138 4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.491 -4.547 4.340 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.464 -3.190 6.223 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.555 -2.626 7.230 1.00 0.00 C ATOM 1460 C GLN A 92 -4.621 -3.753 7.727 1.00 0.00 C ATOM 1461 O GLN A 92 -5.083 -4.895 7.871 1.00 0.00 O ATOM 1462 CB GLN A 92 -6.380 -1.995 8.387 1.00 0.00 C ATOM 1463 CG GLN A 92 -7.343 -2.972 9.098 1.00 0.00 C ATOM 1464 CD GLN A 92 -8.213 -2.301 10.165 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -7.841 -2.233 11.332 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -9.380 -1.816 9.771 1.00 0.00 N ATOM 0 H GLN A 92 -6.992 -3.994 6.561 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.943 -1.832 6.803 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.691 -1.584 9.125 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.958 -1.160 7.990 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.989 -3.439 8.355 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.762 -3.769 9.562 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.659 -1.889 8.793 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.001 -1.369 10.446 1.00 0.00 H new ATOM 1475 N PRO A 93 -3.296 -3.463 7.981 1.00 0.00 N ATOM 1476 CA PRO A 93 -2.291 -4.495 8.373 1.00 0.00 C ATOM 1477 C PRO A 93 -2.708 -5.282 9.642 1.00 0.00 C ATOM 1478 O PRO A 93 -3.147 -4.690 10.637 1.00 0.00 O ATOM 1479 CB PRO A 93 -0.989 -3.673 8.600 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.445 -2.260 8.780 1.00 0.00 C ATOM 1481 CD PRO A 93 -2.668 -2.117 7.903 1.00 0.00 C ATOM 0 HA PRO A 93 -2.176 -5.267 7.612 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.448 -4.027 9.477 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.313 -3.763 7.750 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.684 -2.054 9.823 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.667 -1.556 8.486 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.337 -1.338 8.268 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.402 -1.855 6.879 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.555 -6.613 9.585 1.00 0.00 N ATOM 1490 CA LEU A 94 -3.078 -7.554 10.593 1.00 0.00 C ATOM 1491 C LEU A 94 -1.895 -8.265 11.298 1.00 0.00 C ATOM 1492 O LEU A 94 -1.243 -9.095 10.691 1.00 0.00 O ATOM 1493 CB LEU A 94 -4.057 -8.560 9.872 1.00 0.00 C ATOM 1494 CG LEU A 94 -4.846 -9.623 10.730 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -4.015 -10.886 11.024 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -5.418 -9.010 12.029 1.00 0.00 C ATOM 0 H LEU A 94 -2.056 -7.076 8.825 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.641 -7.035 11.369 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.793 -7.967 9.329 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.476 -9.106 9.129 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.690 -9.938 10.116 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.608 -11.582 11.617 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.730 -11.361 10.085 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.118 -10.610 11.578 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.953 -9.777 12.588 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.602 -8.620 12.637 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.103 -8.200 11.778 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.581 -7.929 12.587 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.566 -8.673 13.389 1.00 0.00 C ATOM 1510 C PRO A 95 -1.050 -10.094 13.752 1.00 0.00 C ATOM 1511 O PRO A 95 -2.259 -10.331 13.866 1.00 0.00 O ATOM 1512 CB PRO A 95 -0.395 -7.790 14.649 1.00 0.00 C ATOM 1513 CG PRO A 95 -1.699 -7.058 14.781 1.00 0.00 C ATOM 1514 CD PRO A 95 -2.156 -6.793 13.358 1.00 0.00 C ATOM 0 HA PRO A 95 0.367 -8.830 12.848 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.190 -8.395 15.532 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.439 -7.097 14.537 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.432 -7.655 15.325 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.573 -6.127 15.333 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.243 -6.768 13.284 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.790 -5.834 12.992 1.00 0.00 H new ATOM 1522 N ASP A 96 -0.104 -11.030 13.934 1.00 0.00 N ATOM 1523 CA ASP A 96 -0.432 -12.435 14.264 1.00 0.00 C ATOM 1524 C ASP A 96 -0.726 -12.586 15.776 1.00 0.00 C ATOM 1525 O ASP A 96 -0.589 -11.621 16.546 1.00 0.00 O ATOM 1526 CB ASP A 96 0.715 -13.382 13.829 1.00 0.00 C ATOM 1527 CG ASP A 96 1.919 -13.365 14.778 1.00 0.00 C ATOM 1528 OD1 ASP A 96 2.525 -12.297 14.941 1.00 0.00 O ATOM 1529 OD2 ASP A 96 2.237 -14.416 15.370 1.00 0.00 O ATOM 0 H ASP A 96 0.896 -10.843 13.859 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.330 -12.715 13.713 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.329 -14.399 13.763 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.047 -13.102 12.829 1.00 0.00 H new ATOM 1534 N ALA A 97 -1.073 -13.816 16.182 1.00 0.00 N ATOM 1535 CA ALA A 97 -1.484 -14.148 17.563 1.00 0.00 C ATOM 1536 C ALA A 97 -0.335 -14.009 18.580 1.00 0.00 C ATOM 1537 O ALA A 97 -0.577 -13.714 19.755 1.00 0.00 O ATOM 1538 CB ALA A 97 -2.056 -15.572 17.592 1.00 0.00 C ATOM 0 H ALA A 97 -1.078 -14.621 15.556 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.247 -13.429 17.862 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.360 -15.821 18.609 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.920 -15.631 16.930 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.294 -16.277 17.258 1.00 0.00 H new ATOM 1544 N ALA A 98 0.907 -14.239 18.126 1.00 0.00 N ATOM 1545 CA ALA A 98 2.112 -14.143 18.985 1.00 0.00 C ATOM 1546 C ALA A 98 2.699 -12.725 18.978 1.00 0.00 C ATOM 1547 O ALA A 98 3.560 -12.413 19.814 1.00 0.00 O ATOM 1548 CB ALA A 98 3.180 -15.140 18.507 1.00 0.00 C ATOM 0 H ALA A 98 1.110 -14.496 17.160 1.00 0.00 H new ATOM 0 HA ALA A 98 1.810 -14.383 20.005 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.061 -15.062 19.144 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.782 -16.153 18.561 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.455 -14.912 17.477 1.00 0.00 H new ATOM 1554 N ARG A 99 2.234 -11.880 18.016 1.00 0.00 N ATOM 1555 CA ARG A 99 2.786 -10.525 17.755 1.00 0.00 C ATOM 1556 C ARG A 99 4.300 -10.612 17.427 1.00 0.00 C ATOM 1557 O ARG A 99 5.089 -9.709 17.739 1.00 0.00 O ATOM 1558 CB ARG A 99 2.496 -9.521 18.923 1.00 0.00 C ATOM 1559 CG ARG A 99 1.002 -9.139 19.145 1.00 0.00 C ATOM 1560 CD ARG A 99 0.158 -10.258 19.782 1.00 0.00 C ATOM 1561 NE ARG A 99 -1.216 -9.821 20.100 1.00 0.00 N ATOM 1562 CZ ARG A 99 -2.103 -10.535 20.813 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -1.792 -11.735 21.295 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -3.301 -10.038 21.052 1.00 0.00 N ATOM 0 H ARG A 99 1.461 -12.124 17.397 1.00 0.00 H new ATOM 0 HA ARG A 99 2.271 -10.123 16.883 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.881 -9.950 19.848 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.060 -8.607 18.737 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.954 -8.255 19.781 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.561 -8.866 18.186 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.117 -11.109 19.102 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.646 -10.602 20.694 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.514 -8.909 19.753 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.866 -12.128 21.126 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.479 -12.262 21.834 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.551 -9.115 20.696 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.978 -10.576 21.593 1.00 0.00 H new ATOM 1578 N THR A 100 4.680 -11.721 16.769 1.00 0.00 N ATOM 1579 CA THR A 100 6.049 -11.971 16.297 1.00 0.00 C ATOM 1580 C THR A 100 6.211 -11.471 14.847 1.00 0.00 C ATOM 1581 O THR A 100 7.331 -11.424 14.315 1.00 0.00 O ATOM 1582 CB THR A 100 6.403 -13.500 16.400 1.00 0.00 C ATOM 1583 OG1 THR A 100 7.802 -13.721 16.162 1.00 0.00 O ATOM 1584 CG2 THR A 100 5.604 -14.371 15.414 1.00 0.00 C ATOM 0 H THR A 100 4.034 -12.479 16.548 1.00 0.00 H new ATOM 0 HA THR A 100 6.741 -11.421 16.934 1.00 0.00 H new ATOM 0 HB THR A 100 6.135 -13.794 17.415 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.999 -14.678 16.233 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.893 -15.415 15.534 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.538 -14.264 15.615 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.814 -14.051 14.393 1.00 0.00 H new ATOM 1592 N ARG A 101 5.086 -11.060 14.222 1.00 0.00 N ATOM 1593 CA ARG A 101 5.061 -10.651 12.821 1.00 0.00 C ATOM 1594 C ARG A 101 3.810 -9.817 12.503 1.00 0.00 C ATOM 1595 O ARG A 101 2.864 -9.734 13.303 1.00 0.00 O ATOM 1596 CB ARG A 101 5.125 -11.871 11.882 1.00 0.00 C ATOM 1597 CG ARG A 101 3.869 -12.750 11.906 1.00 0.00 C ATOM 1598 CD ARG A 101 3.928 -13.889 10.903 1.00 0.00 C ATOM 1599 NE ARG A 101 5.062 -14.801 11.185 1.00 0.00 N ATOM 1600 CZ ARG A 101 6.225 -14.835 10.519 1.00 0.00 C ATOM 1601 NH1 ARG A 101 6.459 -13.969 9.524 1.00 0.00 N ATOM 1602 NH2 ARG A 101 7.156 -15.721 10.871 1.00 0.00 N ATOM 0 H ARG A 101 4.178 -11.006 14.683 1.00 0.00 H new ATOM 0 HA ARG A 101 5.943 -10.033 12.653 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.291 -11.522 10.863 1.00 0.00 H new ATOM 0 HB3 ARG A 101 5.986 -12.480 12.155 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.737 -13.160 12.907 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.995 -12.133 11.697 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.993 -14.449 10.931 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.027 -13.484 9.896 1.00 0.00 H new ATOM 0 HE ARG A 101 4.947 -15.461 11.954 1.00 0.00 H new ATOM 0 HH11 ARG A 101 5.751 -13.280 9.270 1.00 0.00 H new ATOM 0 HH12 ARG A 101 7.345 -13.999 9.020 1.00 0.00 H new ATOM 0 HH21 ARG A 101 6.981 -16.366 11.641 1.00 0.00 H new ATOM 0 HH22 ARG A 101 8.044 -15.754 10.370 1.00 0.00 H new ATOM 1616 N LEU A 102 3.848 -9.200 11.319 1.00 0.00 N ATOM 1617 CA LEU A 102 2.744 -8.440 10.736 1.00 0.00 C ATOM 1618 C LEU A 102 2.325 -9.123 9.412 1.00 0.00 C ATOM 1619 O LEU A 102 3.083 -9.116 8.438 1.00 0.00 O ATOM 1620 CB LEU A 102 3.184 -6.940 10.497 1.00 0.00 C ATOM 1621 CG LEU A 102 2.312 -5.828 11.162 1.00 0.00 C ATOM 1622 CD1 LEU A 102 0.836 -5.947 10.762 1.00 0.00 C ATOM 1623 CD2 LEU A 102 2.483 -5.824 12.690 1.00 0.00 C ATOM 0 H LEU A 102 4.675 -9.217 10.722 1.00 0.00 H new ATOM 0 HA LEU A 102 1.892 -8.426 11.415 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.207 -6.827 10.855 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.200 -6.759 9.422 1.00 0.00 H new ATOM 0 HG LEU A 102 2.669 -4.869 10.787 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.263 -5.156 11.245 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.744 -5.853 9.680 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.451 -6.917 11.076 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.863 -5.039 13.123 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.179 -6.790 13.093 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.528 -5.640 12.939 1.00 0.00 H new ATOM 1635 N GLU A 103 1.143 -9.753 9.410 1.00 0.00 N ATOM 1636 CA GLU A 103 0.537 -10.316 8.190 1.00 0.00 C ATOM 1637 C GLU A 103 -0.135 -9.189 7.388 1.00 0.00 C ATOM 1638 O GLU A 103 -1.171 -8.646 7.793 1.00 0.00 O ATOM 1639 CB GLU A 103 -0.487 -11.432 8.535 1.00 0.00 C ATOM 1640 CG GLU A 103 -1.206 -12.042 7.315 1.00 0.00 C ATOM 1641 CD GLU A 103 -2.138 -13.203 7.693 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -3.208 -12.957 8.282 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -1.804 -14.372 7.426 1.00 0.00 O ATOM 0 H GLU A 103 0.579 -9.888 10.249 1.00 0.00 H new ATOM 0 HA GLU A 103 1.322 -10.770 7.585 1.00 0.00 H new ATOM 0 HB2 GLU A 103 0.030 -12.228 9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.235 -11.023 9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.785 -11.266 6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.463 -12.396 6.601 1.00 0.00 H new ATOM 1650 N ILE A 104 0.486 -8.828 6.269 1.00 0.00 N ATOM 1651 CA ILE A 104 0.023 -7.742 5.401 1.00 0.00 C ATOM 1652 C ILE A 104 -0.786 -8.340 4.238 1.00 0.00 C ATOM 1653 O ILE A 104 -0.235 -9.061 3.398 1.00 0.00 O ATOM 1654 CB ILE A 104 1.228 -6.897 4.816 1.00 0.00 C ATOM 1655 CG1 ILE A 104 2.255 -6.507 5.924 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.715 -5.641 4.067 1.00 0.00 C ATOM 1657 CD1 ILE A 104 1.694 -5.667 7.050 1.00 0.00 C ATOM 0 H ILE A 104 1.334 -9.284 5.933 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.595 -7.073 5.999 1.00 0.00 H new ATOM 0 HB ILE A 104 1.750 -7.531 4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.675 -7.420 6.346 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.078 -5.963 5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.563 -5.079 3.676 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.071 -5.947 3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.150 -5.012 4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.484 -5.448 7.769 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.301 -4.734 6.647 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.892 -6.213 7.547 1.00 0.00 H new ATOM 1669 N LEU A 105 -2.095 -8.070 4.216 1.00 0.00 N ATOM 1670 CA LEU A 105 -2.948 -8.396 3.065 1.00 0.00 C ATOM 1671 C LEU A 105 -2.798 -7.275 2.016 1.00 0.00 C ATOM 1672 O LEU A 105 -2.805 -6.087 2.349 1.00 0.00 O ATOM 1673 CB LEU A 105 -4.446 -8.607 3.470 1.00 0.00 C ATOM 1674 CG LEU A 105 -5.259 -7.351 3.948 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -6.765 -7.664 4.009 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -4.758 -6.795 5.302 1.00 0.00 C ATOM 0 H LEU A 105 -2.591 -7.623 4.987 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.622 -9.346 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.967 -9.037 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.476 -9.349 4.268 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.093 -6.569 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.307 -6.779 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.117 -7.953 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.939 -8.481 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.356 -5.928 5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.852 -7.564 6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.713 -6.500 5.210 1.00 0.00 H new ATOM 1688 N CYS A 106 -2.646 -7.674 0.759 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.420 -6.763 -0.378 1.00 0.00 C ATOM 1690 C CYS A 106 -3.038 -7.379 -1.631 1.00 0.00 C ATOM 1691 O CYS A 106 -3.570 -8.481 -1.594 1.00 0.00 O ATOM 1692 CB CYS A 106 -0.905 -6.486 -0.600 1.00 0.00 C ATOM 1693 SG CYS A 106 -0.070 -5.708 0.797 1.00 0.00 S ATOM 0 H CYS A 106 -2.675 -8.657 0.487 1.00 0.00 H new ATOM 0 HA CYS A 106 -2.892 -5.805 -0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.406 -7.429 -0.825 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -0.791 -5.848 -1.476 1.00 0.00 H new ATOM 0 HG CYS A 106 0.051 -4.433 0.575 1.00 0.00 H new ATOM 1699 N ARG A 107 -2.997 -6.631 -2.715 1.00 0.00 N ATOM 1700 CA ARG A 107 -3.385 -7.095 -4.048 1.00 0.00 C ATOM 1701 C ARG A 107 -2.552 -6.327 -5.074 1.00 0.00 C ATOM 1702 O ARG A 107 -1.960 -5.296 -4.728 1.00 0.00 O ATOM 1703 CB ARG A 107 -4.910 -6.856 -4.234 1.00 0.00 C ATOM 1704 CG ARG A 107 -5.520 -7.304 -5.577 1.00 0.00 C ATOM 1705 CD ARG A 107 -7.048 -7.118 -5.614 1.00 0.00 C ATOM 1706 NE ARG A 107 -7.606 -7.438 -6.941 1.00 0.00 N ATOM 1707 CZ ARG A 107 -7.937 -8.663 -7.387 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -7.738 -9.755 -6.646 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -8.448 -8.789 -8.596 1.00 0.00 N ATOM 0 H ARG A 107 -2.687 -5.659 -2.702 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.198 -8.161 -4.179 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.436 -7.373 -3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.106 -5.791 -4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.067 -6.734 -6.388 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.279 -8.353 -5.751 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.510 -7.757 -4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.295 -6.089 -5.354 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.755 -6.657 -7.580 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.326 -9.673 -5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.998 -10.672 -7.009 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.587 -7.964 -9.179 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.704 -9.712 -8.948 1.00 0.00 H new ATOM 1723 N GLU A 108 -2.473 -6.860 -6.307 1.00 0.00 N ATOM 1724 CA GLU A 108 -1.881 -6.163 -7.467 1.00 0.00 C ATOM 1725 C GLU A 108 -2.388 -4.705 -7.535 1.00 0.00 C ATOM 1726 O GLU A 108 -3.601 -4.466 -7.538 1.00 0.00 O ATOM 1727 CB GLU A 108 -2.210 -6.953 -8.767 1.00 0.00 C ATOM 1728 CG GLU A 108 -1.265 -6.696 -9.960 1.00 0.00 C ATOM 1729 CD GLU A 108 -1.347 -5.278 -10.554 1.00 0.00 C ATOM 1730 OE1 GLU A 108 -2.368 -4.960 -11.201 1.00 0.00 O ATOM 1731 OE2 GLU A 108 -0.413 -4.470 -10.345 1.00 0.00 O ATOM 0 H GLU A 108 -2.820 -7.793 -6.529 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.797 -6.122 -7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.195 -8.018 -8.537 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.227 -6.707 -9.073 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.240 -6.882 -9.640 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.490 -7.417 -10.746 1.00 0.00 H new ATOM 1738 N GLY A 109 -1.442 -3.750 -7.583 1.00 0.00 N ATOM 1739 CA GLY A 109 -1.740 -2.334 -7.375 1.00 0.00 C ATOM 1740 C GLY A 109 -2.106 -1.590 -8.656 1.00 0.00 C ATOM 1741 O GLY A 109 -1.724 -0.427 -8.828 1.00 0.00 O ATOM 0 H GLY A 109 -0.457 -3.943 -7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.563 -2.245 -6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.874 -1.852 -6.920 1.00 0.00 H new ATOM 1745 N ALA A 110 -2.831 -2.284 -9.553 1.00 0.00 N ATOM 1746 CA ALA A 110 -3.470 -1.701 -10.749 1.00 0.00 C ATOM 1747 C ALA A 110 -2.441 -1.188 -11.775 1.00 0.00 C ATOM 1748 O ALA A 110 -2.655 -0.154 -12.413 1.00 0.00 O ATOM 1749 CB ALA A 110 -4.496 -0.609 -10.348 1.00 0.00 C ATOM 0 H ALA A 110 -2.993 -3.287 -9.465 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.016 -2.500 -11.250 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.954 -0.193 -11.245 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.268 -1.049 -9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.988 0.184 -9.800 1.00 0.00 H new ATOM 1755 N GLU A 111 -1.338 -1.936 -11.952 1.00 0.00 N ATOM 1756 CA GLU A 111 -0.353 -1.662 -13.017 1.00 0.00 C ATOM 1757 C GLU A 111 -0.924 -2.173 -14.357 1.00 0.00 C ATOM 1758 O GLU A 111 -0.745 -3.345 -14.717 1.00 0.00 O ATOM 1759 CB GLU A 111 1.019 -2.329 -12.705 1.00 0.00 C ATOM 1760 CG GLU A 111 1.670 -1.896 -11.370 1.00 0.00 C ATOM 1761 CD GLU A 111 3.066 -2.511 -11.123 1.00 0.00 C ATOM 1762 OE1 GLU A 111 3.384 -3.580 -11.696 1.00 0.00 O ATOM 1763 OE2 GLU A 111 3.861 -1.931 -10.353 1.00 0.00 O ATOM 0 H GLU A 111 -1.104 -2.739 -11.369 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.176 -0.588 -13.078 1.00 0.00 H new ATOM 0 HB2 GLU A 111 0.885 -3.411 -12.692 1.00 0.00 H new ATOM 0 HB3 GLU A 111 1.709 -2.103 -13.518 1.00 0.00 H new ATOM 0 HG2 GLU A 111 1.755 -0.809 -11.355 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.011 -2.176 -10.548 1.00 0.00 H new ATOM 1770 N LYS A 112 -1.664 -1.296 -15.057 1.00 0.00 N ATOM 1771 CA LYS A 112 -2.420 -1.648 -16.276 1.00 0.00 C ATOM 1772 C LYS A 112 -2.273 -0.541 -17.345 1.00 0.00 C ATOM 1773 O LYS A 112 -2.437 0.652 -17.013 1.00 0.00 O ATOM 1774 CB LYS A 112 -3.919 -1.919 -15.924 1.00 0.00 C ATOM 1775 CG LYS A 112 -4.573 -0.855 -15.009 1.00 0.00 C ATOM 1776 CD LYS A 112 -5.991 -1.245 -14.528 1.00 0.00 C ATOM 1777 CE LYS A 112 -7.038 -1.234 -15.655 1.00 0.00 C ATOM 1778 NZ LYS A 112 -7.254 0.136 -16.194 1.00 0.00 N ATOM 1779 OXT LYS A 112 -2.007 -0.868 -18.522 1.00 0.00 O ATOM 0 H LYS A 112 -1.756 -0.315 -14.793 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.007 -2.565 -16.697 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -4.490 -1.981 -16.851 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -3.993 -2.892 -15.438 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.935 -0.692 -14.140 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.627 0.092 -15.547 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.956 -2.240 -14.083 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.304 -0.556 -13.744 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.713 -1.894 -16.459 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.981 -1.630 -15.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.079 0.134 -16.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.422 0.796 -15.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.412 0.437 -16.724 1.00 0.00 H new TER 1793 LYS A 112