USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 917 hydrogens (30 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 83 ASN : amide:sc= -10! C(o=-14!,f=-2.6!) USER MOD Set 1.2: A 84 ASN : amide:sc= -3.53! K(o=-14!,f=-2.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= 1.27 (180deg=-0.158) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 15 GLN : amide:sc= -1.03! K(o=-1!,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -114:sc= -0.859 (180deg=-2.44!) USER MOD Single : A 18 ASN : amide:sc= -1.39! C(o=-1.4!,f=-5.4!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -58:sc= 1.01 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 28 ASN : amide:sc= -2.47! K(o=-2.5!,f=-0.048) USER MOD Single : A 29 SER OG : rot 180:sc=0.000655 USER MOD Single : A 32 ASN : amide:sc= -2.09! K(o=-2.1!,f=-0.062) USER MOD Single : A 33 ASN : amide:sc= -0.472 K(o=-0.47,f=-1.4) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0766 K(o=-0.077,f=-2.2!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.36) USER MOD Single : A 74 THR OG1 : rot 91:sc= 1.06 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -161:sc= -2.78 (180deg=-3.04!) USER MOD Single : A 78 LYS NZ :NH3+ -152:sc= -0.121 (180deg=-0.651) USER MOD Single : A 82 THR OG1 : rot -100:sc= -2.04! USER MOD Single : A 86 THR OG1 : rot 61:sc= 0.704 USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0767 USER MOD Single : A 96 SER OG : rot -82:sc= 0.948 USER MOD Single : A 99 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.11) USER MOD Single : A 103 LYS NZ :NH3+ 165:sc=-0.00362 (180deg=-0.0902) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.45) USER MOD Single : A 107 SER OG : rot 180:sc= 0.153 USER MOD Single : A 108 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 109 ASN : amide:sc= -4.21! K(o=-4.2!,f=-1.3) USER MOD Single : A 110 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.4) USER MOD Single : A 111 SER OG : rot 72:sc= 0.958 USER MOD Single : A 112 LYS NZ :NH3+ 143:sc= -0.274 (180deg=-1.36!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.833 17.352 -17.707 1.00 1.00 N ATOM 2 CA MET A 1 10.973 16.201 -18.105 1.00 1.00 C ATOM 3 C MET A 1 10.631 15.374 -16.871 1.00 1.00 C ATOM 4 O MET A 1 11.290 15.484 -15.836 1.00 1.00 O ATOM 5 CB MET A 1 11.720 15.337 -19.124 1.00 1.00 C ATOM 6 CG MET A 1 12.061 16.178 -20.354 1.00 1.00 C ATOM 7 SD MET A 1 13.595 17.091 -20.058 1.00 1.00 S ATOM 8 CE MET A 1 13.770 17.786 -21.719 1.00 1.00 C ATOM 0 H1 MET A 1 11.288 18.235 -17.781 1.00 1.00 H new ATOM 0 H2 MET A 1 12.153 17.224 -16.726 1.00 1.00 H new ATOM 0 H3 MET A 1 12.659 17.402 -18.336 1.00 1.00 H new ATOM 0 HA MET A 1 10.051 16.568 -18.556 1.00 1.00 H new ATOM 0 HB2 MET A 1 12.632 14.938 -18.679 1.00 1.00 H new ATOM 0 HB3 MET A 1 11.106 14.484 -19.413 1.00 1.00 H new ATOM 0 HG2 MET A 1 12.171 15.535 -21.227 1.00 1.00 H new ATOM 0 HG3 MET A 1 11.249 16.872 -20.569 1.00 1.00 H new ATOM 0 HE1 MET A 1 14.671 18.398 -21.764 1.00 1.00 H new ATOM 0 HE2 MET A 1 13.844 16.977 -22.446 1.00 1.00 H new ATOM 0 HE3 MET A 1 12.901 18.402 -21.949 1.00 1.00 H new ATOM 20 N ASP A 2 9.598 14.546 -16.986 1.00 1.00 N ATOM 21 CA ASP A 2 9.178 13.704 -15.871 1.00 1.00 C ATOM 22 C ASP A 2 8.574 12.401 -16.384 1.00 1.00 C ATOM 23 O ASP A 2 7.363 12.190 -16.304 1.00 1.00 O ATOM 24 CB ASP A 2 8.148 14.445 -15.018 1.00 1.00 C ATOM 25 CG ASP A 2 8.795 15.658 -14.357 1.00 1.00 C ATOM 26 OD1 ASP A 2 9.741 15.466 -13.611 1.00 1.00 O ATOM 27 OD2 ASP A 2 8.337 16.761 -14.608 1.00 1.00 O ATOM 0 H ASP A 2 9.040 14.440 -17.833 1.00 1.00 H new ATOM 0 HA ASP A 2 10.053 13.472 -15.264 1.00 1.00 H new ATOM 0 HB2 ASP A 2 7.310 14.762 -15.639 1.00 1.00 H new ATOM 0 HB3 ASP A 2 7.746 13.777 -14.257 1.00 1.00 H new ATOM 32 N PRO A 3 9.396 11.531 -16.904 1.00 1.00 N ATOM 33 CA PRO A 3 8.944 10.216 -17.445 1.00 1.00 C ATOM 34 C PRO A 3 8.065 9.458 -16.454 1.00 1.00 C ATOM 35 O PRO A 3 7.301 8.573 -16.839 1.00 1.00 O ATOM 36 CB PRO A 3 10.249 9.458 -17.706 1.00 1.00 C ATOM 37 CG PRO A 3 11.295 10.510 -17.869 1.00 1.00 C ATOM 38 CD PRO A 3 10.850 11.710 -17.035 1.00 1.00 C ATOM 0 HA PRO A 3 8.330 10.333 -18.338 1.00 1.00 H new ATOM 0 HB2 PRO A 3 10.488 8.792 -16.877 1.00 1.00 H new ATOM 0 HB3 PRO A 3 10.172 8.840 -18.600 1.00 1.00 H new ATOM 0 HG2 PRO A 3 12.266 10.145 -17.533 1.00 1.00 H new ATOM 0 HG3 PRO A 3 11.404 10.787 -18.917 1.00 1.00 H new ATOM 0 HD2 PRO A 3 11.340 11.724 -16.061 1.00 1.00 H new ATOM 0 HD3 PRO A 3 11.094 12.651 -17.528 1.00 1.00 H new ATOM 46 N GLU A 4 8.176 9.814 -15.178 1.00 1.00 N ATOM 47 CA GLU A 4 7.385 9.161 -14.143 1.00 1.00 C ATOM 48 C GLU A 4 5.908 9.507 -14.304 1.00 1.00 C ATOM 49 O GLU A 4 5.033 8.709 -13.967 1.00 1.00 O ATOM 50 CB GLU A 4 7.867 9.603 -12.759 1.00 1.00 C ATOM 51 CG GLU A 4 9.355 9.281 -12.611 1.00 1.00 C ATOM 52 CD GLU A 4 10.189 10.523 -12.909 1.00 1.00 C ATOM 53 OE1 GLU A 4 9.946 11.540 -12.281 1.00 1.00 O ATOM 54 OE2 GLU A 4 11.059 10.438 -13.761 1.00 1.00 O ATOM 0 H GLU A 4 8.801 10.545 -14.839 1.00 1.00 H new ATOM 0 HA GLU A 4 7.509 8.083 -14.242 1.00 1.00 H new ATOM 0 HB2 GLU A 4 7.701 10.672 -12.628 1.00 1.00 H new ATOM 0 HB3 GLU A 4 7.295 9.094 -11.983 1.00 1.00 H new ATOM 0 HG2 GLU A 4 9.561 8.929 -11.600 1.00 1.00 H new ATOM 0 HG3 GLU A 4 9.631 8.476 -13.292 1.00 1.00 H new ATOM 61 N LEU A 5 5.639 10.702 -14.818 1.00 1.00 N ATOM 62 CA LEU A 5 4.265 11.146 -15.019 1.00 1.00 C ATOM 63 C LEU A 5 3.613 10.365 -16.158 1.00 1.00 C ATOM 64 O LEU A 5 2.398 10.163 -16.166 1.00 1.00 O ATOM 65 CB LEU A 5 4.241 12.641 -15.343 1.00 1.00 C ATOM 66 CG LEU A 5 3.601 13.407 -14.184 1.00 1.00 C ATOM 67 CD1 LEU A 5 3.766 14.910 -14.412 1.00 1.00 C ATOM 68 CD2 LEU A 5 2.111 13.065 -14.106 1.00 1.00 C ATOM 0 H LEU A 5 6.349 11.377 -15.101 1.00 1.00 H new ATOM 0 HA LEU A 5 3.705 10.965 -14.101 1.00 1.00 H new ATOM 0 HB2 LEU A 5 5.255 13.002 -15.515 1.00 1.00 H new ATOM 0 HB3 LEU A 5 3.680 12.815 -16.261 1.00 1.00 H new ATOM 0 HG LEU A 5 4.088 13.125 -13.251 1.00 1.00 H new ATOM 0 HD11 LEU A 5 3.310 15.456 -13.586 1.00 1.00 H new ATOM 0 HD12 LEU A 5 4.827 15.155 -14.467 1.00 1.00 H new ATOM 0 HD13 LEU A 5 3.279 15.192 -15.346 1.00 1.00 H new ATOM 0 HD21 LEU A 5 1.655 13.611 -13.280 1.00 1.00 H new ATOM 0 HD22 LEU A 5 1.624 13.346 -15.040 1.00 1.00 H new ATOM 0 HD23 LEU A 5 1.992 11.994 -13.943 1.00 1.00 H new ATOM 80 N GLN A 6 4.426 9.931 -17.113 1.00 1.00 N ATOM 81 CA GLN A 6 3.917 9.173 -18.251 1.00 1.00 C ATOM 82 C GLN A 6 3.312 7.853 -17.784 1.00 1.00 C ATOM 83 O GLN A 6 2.321 7.382 -18.343 1.00 1.00 O ATOM 84 CB GLN A 6 5.047 8.898 -19.244 1.00 1.00 C ATOM 85 CG GLN A 6 5.586 10.226 -19.781 1.00 1.00 C ATOM 86 CD GLN A 6 6.548 9.972 -20.935 1.00 1.00 C ATOM 87 OE1 GLN A 6 6.717 8.832 -21.367 1.00 1.00 O ATOM 88 NE2 GLN A 6 7.193 10.975 -21.466 1.00 1.00 N ATOM 0 H GLN A 6 5.434 10.089 -17.124 1.00 1.00 H new ATOM 0 HA GLN A 6 3.142 9.762 -18.741 1.00 1.00 H new ATOM 0 HB2 GLN A 6 5.846 8.339 -18.757 1.00 1.00 H new ATOM 0 HB3 GLN A 6 4.682 8.282 -20.066 1.00 1.00 H new ATOM 0 HG2 GLN A 6 4.760 10.853 -20.117 1.00 1.00 H new ATOM 0 HG3 GLN A 6 6.096 10.769 -18.985 1.00 1.00 H new ATOM 0 HE21 GLN A 6 7.052 11.919 -21.107 1.00 1.00 H new ATOM 0 HE22 GLN A 6 7.838 10.814 -22.240 1.00 1.00 H new ATOM 97 N CYS A 7 3.911 7.263 -16.756 1.00 1.00 N ATOM 98 CA CYS A 7 3.420 5.999 -16.221 1.00 1.00 C ATOM 99 C CYS A 7 2.062 6.194 -15.554 1.00 1.00 C ATOM 100 O CYS A 7 1.114 5.458 -15.825 1.00 1.00 O ATOM 101 CB CYS A 7 4.414 5.444 -15.198 1.00 1.00 C ATOM 102 SG CYS A 7 5.812 4.683 -16.061 1.00 1.00 S ATOM 0 H CYS A 7 4.732 7.636 -16.279 1.00 1.00 H new ATOM 0 HA CYS A 7 3.313 5.294 -17.045 1.00 1.00 H new ATOM 0 HB2 CYS A 7 4.767 6.244 -14.548 1.00 1.00 H new ATOM 0 HB3 CYS A 7 3.923 4.709 -14.561 1.00 1.00 H new ATOM 107 N ILE A 8 1.979 7.191 -14.679 1.00 1.00 N ATOM 108 CA ILE A 8 0.738 7.481 -13.973 1.00 1.00 C ATOM 109 C ILE A 8 -0.410 7.697 -14.954 1.00 1.00 C ATOM 110 O ILE A 8 -1.557 7.353 -14.666 1.00 1.00 O ATOM 111 CB ILE A 8 0.910 8.729 -13.105 1.00 1.00 C ATOM 112 CG1 ILE A 8 1.915 8.437 -11.989 1.00 1.00 C ATOM 113 CG2 ILE A 8 -0.436 9.114 -12.493 1.00 1.00 C ATOM 114 CD1 ILE A 8 2.332 9.749 -11.321 1.00 1.00 C ATOM 0 H ILE A 8 2.755 7.810 -14.443 1.00 1.00 H new ATOM 0 HA ILE A 8 0.499 6.626 -13.341 1.00 1.00 H new ATOM 0 HB ILE A 8 1.277 9.552 -13.718 1.00 1.00 H new ATOM 0 HG12 ILE A 8 1.472 7.766 -11.253 1.00 1.00 H new ATOM 0 HG13 ILE A 8 2.790 7.930 -12.396 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.313 10.003 -11.875 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.152 9.321 -13.289 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -0.805 8.293 -11.879 1.00 1.00 H new ATOM 0 HD11 ILE A 8 3.048 9.541 -10.526 1.00 1.00 H new ATOM 0 HD12 ILE A 8 2.792 10.404 -12.061 1.00 1.00 H new ATOM 0 HD13 ILE A 8 1.454 10.238 -10.900 1.00 1.00 H new ATOM 126 N ARG A 9 -0.099 8.269 -16.112 1.00 1.00 N ATOM 127 CA ARG A 9 -1.119 8.525 -17.124 1.00 1.00 C ATOM 128 C ARG A 9 -1.792 7.223 -17.548 1.00 1.00 C ATOM 129 O ARG A 9 -3.014 7.158 -17.679 1.00 1.00 O ATOM 130 CB ARG A 9 -0.486 9.191 -18.346 1.00 1.00 C ATOM 131 CG ARG A 9 -0.667 10.708 -18.254 1.00 1.00 C ATOM 132 CD ARG A 9 0.259 11.395 -19.258 1.00 1.00 C ATOM 133 NE ARG A 9 0.658 10.458 -20.302 1.00 1.00 N ATOM 134 CZ ARG A 9 1.428 10.843 -21.315 1.00 1.00 C ATOM 135 NH1 ARG A 9 1.841 12.079 -21.388 1.00 1.00 N ATOM 136 NH2 ARG A 9 1.770 9.985 -22.237 1.00 1.00 N ATOM 0 H ARG A 9 0.843 8.562 -16.373 1.00 1.00 H new ATOM 0 HA ARG A 9 -1.870 9.188 -16.695 1.00 1.00 H new ATOM 0 HB2 ARG A 9 0.574 8.944 -18.400 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -0.948 8.814 -19.259 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -1.704 10.974 -18.459 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -0.444 11.051 -17.244 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -0.247 12.252 -19.703 1.00 1.00 H new ATOM 0 HD3 ARG A 9 1.142 11.777 -18.746 1.00 1.00 H new ATOM 0 HE ARG A 9 0.341 9.490 -20.254 1.00 1.00 H new ATOM 0 HH11 ARG A 9 1.573 12.750 -20.668 1.00 1.00 H new ATOM 0 HH12 ARG A 9 2.432 12.374 -22.165 1.00 1.00 H new ATOM 0 HH21 ARG A 9 1.446 9.019 -22.180 1.00 1.00 H new ATOM 0 HH22 ARG A 9 2.361 10.280 -23.014 1.00 1.00 H new ATOM 150 N GLU A 10 -0.985 6.189 -17.758 1.00 1.00 N ATOM 151 CA GLU A 10 -1.512 4.891 -18.165 1.00 1.00 C ATOM 152 C GLU A 10 -2.237 4.220 -17.003 1.00 1.00 C ATOM 153 O GLU A 10 -3.319 3.658 -17.174 1.00 1.00 O ATOM 154 CB GLU A 10 -0.371 3.993 -18.645 1.00 1.00 C ATOM 155 CG GLU A 10 0.358 4.669 -19.808 1.00 1.00 C ATOM 156 CD GLU A 10 1.646 3.918 -20.124 1.00 1.00 C ATOM 157 OE1 GLU A 10 2.183 3.294 -19.224 1.00 1.00 O ATOM 158 OE2 GLU A 10 2.077 3.977 -21.264 1.00 1.00 O ATOM 0 H GLU A 10 0.029 6.223 -17.654 1.00 1.00 H new ATOM 0 HA GLU A 10 -2.220 5.045 -18.979 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.325 3.803 -17.828 1.00 1.00 H new ATOM 0 HB3 GLU A 10 -0.763 3.026 -18.961 1.00 1.00 H new ATOM 0 HG2 GLU A 10 -0.285 4.690 -20.688 1.00 1.00 H new ATOM 0 HG3 GLU A 10 0.584 5.704 -19.553 1.00 1.00 H new ATOM 165 N CYS A 11 -1.630 4.280 -15.823 1.00 1.00 N ATOM 166 CA CYS A 11 -2.221 3.673 -14.636 1.00 1.00 C ATOM 167 C CYS A 11 -3.668 4.126 -14.463 1.00 1.00 C ATOM 168 O CYS A 11 -4.492 3.400 -13.906 1.00 1.00 O ATOM 169 CB CYS A 11 -1.414 4.057 -13.394 1.00 1.00 C ATOM 170 SG CYS A 11 -1.128 2.585 -12.380 1.00 1.00 S ATOM 0 H CYS A 11 -0.734 4.740 -15.663 1.00 1.00 H new ATOM 0 HA CYS A 11 -2.204 2.590 -14.761 1.00 1.00 H new ATOM 0 HB2 CYS A 11 -0.462 4.499 -13.688 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -1.951 4.810 -12.817 1.00 1.00 H new ATOM 175 N ARG A 12 -3.971 5.324 -14.949 1.00 1.00 N ATOM 176 CA ARG A 12 -5.326 5.857 -14.848 1.00 1.00 C ATOM 177 C ARG A 12 -6.266 5.105 -15.784 1.00 1.00 C ATOM 178 O ARG A 12 -7.347 4.676 -15.383 1.00 1.00 O ATOM 179 CB ARG A 12 -5.330 7.345 -15.202 1.00 1.00 C ATOM 180 CG ARG A 12 -4.978 8.168 -13.961 1.00 1.00 C ATOM 181 CD ARG A 12 -6.254 8.476 -13.174 1.00 1.00 C ATOM 182 NE ARG A 12 -5.931 8.738 -11.776 1.00 1.00 N ATOM 183 CZ ARG A 12 -6.844 8.598 -10.822 1.00 1.00 C ATOM 184 NH1 ARG A 12 -8.057 8.222 -11.129 1.00 1.00 N ATOM 185 NH2 ARG A 12 -6.532 8.836 -9.577 1.00 1.00 N ATOM 0 H ARG A 12 -3.304 5.941 -15.413 1.00 1.00 H new ATOM 0 HA ARG A 12 -5.673 5.729 -13.823 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -4.611 7.542 -15.997 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -6.310 7.637 -15.579 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -4.275 7.619 -13.335 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -4.486 9.095 -14.254 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -6.758 9.340 -13.607 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -6.945 7.636 -13.244 1.00 1.00 H new ATOM 0 HE ARG A 12 -4.987 9.034 -11.527 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -8.303 8.036 -12.101 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -8.758 8.114 -10.396 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -5.586 9.130 -9.336 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -7.235 8.728 -8.846 1.00 1.00 H new ATOM 199 N LEU A 13 -5.843 4.953 -17.034 1.00 1.00 N ATOM 200 CA LEU A 13 -6.650 4.256 -18.029 1.00 1.00 C ATOM 201 C LEU A 13 -6.698 2.761 -17.728 1.00 1.00 C ATOM 202 O LEU A 13 -7.703 2.099 -17.987 1.00 1.00 O ATOM 203 CB LEU A 13 -6.062 4.477 -19.427 1.00 1.00 C ATOM 204 CG LEU A 13 -6.864 5.549 -20.174 1.00 1.00 C ATOM 205 CD1 LEU A 13 -8.268 5.027 -20.494 1.00 1.00 C ATOM 206 CD2 LEU A 13 -6.974 6.805 -19.304 1.00 1.00 C ATOM 0 H LEU A 13 -4.950 5.301 -17.382 1.00 1.00 H new ATOM 0 HA LEU A 13 -7.663 4.656 -17.992 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -5.019 4.783 -19.347 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -6.078 3.543 -19.988 1.00 1.00 H new ATOM 0 HG LEU A 13 -6.352 5.791 -21.105 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -8.830 5.796 -21.025 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -8.192 4.137 -21.119 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -8.783 4.776 -19.567 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -7.544 7.567 -19.835 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -7.480 6.558 -18.371 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -5.976 7.185 -19.086 1.00 1.00 H new ATOM 218 N ALA A 14 -5.608 2.234 -17.180 1.00 1.00 N ATOM 219 CA ALA A 14 -5.540 0.817 -16.848 1.00 1.00 C ATOM 220 C ALA A 14 -6.688 0.429 -15.920 1.00 1.00 C ATOM 221 O ALA A 14 -7.171 -0.702 -15.954 1.00 1.00 O ATOM 222 CB ALA A 14 -4.206 0.501 -16.172 1.00 1.00 C ATOM 0 H ALA A 14 -4.765 2.764 -16.958 1.00 1.00 H new ATOM 0 HA ALA A 14 -5.623 0.243 -17.771 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -4.164 -0.560 -15.928 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -3.388 0.750 -16.848 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -4.113 1.088 -15.258 1.00 1.00 H new ATOM 228 N GLN A 15 -7.118 1.376 -15.093 1.00 1.00 N ATOM 229 CA GLN A 15 -8.209 1.126 -14.159 1.00 1.00 C ATOM 230 C GLN A 15 -9.509 0.868 -14.913 1.00 1.00 C ATOM 231 O GLN A 15 -10.270 -0.037 -14.568 1.00 1.00 O ATOM 232 CB GLN A 15 -8.385 2.325 -13.227 1.00 1.00 C ATOM 233 CG GLN A 15 -8.463 1.840 -11.778 1.00 1.00 C ATOM 234 CD GLN A 15 -8.772 3.011 -10.852 1.00 1.00 C ATOM 235 OE1 GLN A 15 -9.102 2.809 -9.684 1.00 1.00 O ATOM 236 NE2 GLN A 15 -8.683 4.231 -11.306 1.00 1.00 N ATOM 0 H GLN A 15 -6.730 2.318 -15.050 1.00 1.00 H new ATOM 0 HA GLN A 15 -7.963 0.243 -13.569 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -7.551 3.016 -13.346 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -9.291 2.871 -13.488 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -9.235 1.077 -11.682 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -7.519 1.377 -11.490 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -8.409 4.396 -12.275 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -8.887 5.020 -10.692 1.00 1.00 H new ATOM 245 N LEU A 16 -9.761 1.671 -15.942 1.00 1.00 N ATOM 246 CA LEU A 16 -10.974 1.522 -16.738 1.00 1.00 C ATOM 247 C LEU A 16 -10.780 0.460 -17.816 1.00 1.00 C ATOM 248 O LEU A 16 -11.327 -0.639 -17.724 1.00 1.00 O ATOM 249 CB LEU A 16 -11.338 2.856 -17.390 1.00 1.00 C ATOM 250 CG LEU A 16 -12.225 3.664 -16.442 1.00 1.00 C ATOM 251 CD1 LEU A 16 -11.494 3.875 -15.114 1.00 1.00 C ATOM 252 CD2 LEU A 16 -12.538 5.024 -17.072 1.00 1.00 C ATOM 0 H LEU A 16 -9.146 2.427 -16.243 1.00 1.00 H new ATOM 0 HA LEU A 16 -11.783 1.209 -16.078 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -10.433 3.417 -17.624 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -11.858 2.682 -18.332 1.00 1.00 H new ATOM 0 HG LEU A 16 -13.154 3.122 -16.264 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -12.126 4.451 -14.438 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -11.269 2.908 -14.665 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -10.565 4.417 -15.292 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -13.170 5.601 -16.397 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -11.609 5.565 -17.250 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -13.058 4.876 -18.018 1.00 1.00 H new ATOM 264 N LYS A 17 -10.002 0.799 -18.839 1.00 1.00 N ATOM 265 CA LYS A 17 -9.745 -0.133 -19.931 1.00 1.00 C ATOM 266 C LYS A 17 -9.450 -1.527 -19.388 1.00 1.00 C ATOM 267 O LYS A 17 -8.559 -1.705 -18.558 1.00 1.00 O ATOM 268 CB LYS A 17 -8.558 0.355 -20.765 1.00 1.00 C ATOM 269 CG LYS A 17 -8.527 -0.396 -22.097 1.00 1.00 C ATOM 270 CD LYS A 17 -7.088 -0.802 -22.421 1.00 1.00 C ATOM 271 CE LYS A 17 -6.207 0.447 -22.487 1.00 1.00 C ATOM 272 NZ LYS A 17 -5.452 0.588 -21.209 1.00 1.00 N ATOM 0 H LYS A 17 -9.542 1.704 -18.935 1.00 1.00 H new ATOM 0 HA LYS A 17 -10.634 -0.182 -20.559 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -8.641 1.427 -20.942 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -7.627 0.192 -20.222 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -9.162 -1.280 -22.043 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -8.926 0.235 -22.892 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -6.712 -1.485 -21.660 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -7.054 -1.334 -23.372 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -5.514 0.373 -23.325 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -6.822 1.331 -22.659 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -5.772 1.442 -20.709 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -5.621 -0.247 -20.612 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -4.435 0.667 -21.413 1.00 1.00 H new ATOM 286 N ASN A 18 -10.203 -2.514 -19.862 1.00 1.00 N ATOM 287 CA ASN A 18 -10.014 -3.889 -19.418 1.00 1.00 C ATOM 288 C ASN A 18 -9.249 -4.691 -20.467 1.00 1.00 C ATOM 289 O ASN A 18 -8.078 -5.021 -20.276 1.00 1.00 O ATOM 290 CB ASN A 18 -11.371 -4.546 -19.162 1.00 1.00 C ATOM 291 CG ASN A 18 -12.417 -3.968 -20.110 1.00 1.00 C ATOM 292 OD1 ASN A 18 -12.660 -2.762 -20.106 1.00 1.00 O ATOM 293 ND2 ASN A 18 -13.054 -4.762 -20.927 1.00 1.00 N ATOM 0 H ASN A 18 -10.946 -2.388 -20.550 1.00 1.00 H new ATOM 0 HA ASN A 18 -9.436 -3.876 -18.494 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -11.295 -5.624 -19.304 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -11.675 -4.382 -18.128 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -13.755 -4.383 -21.564 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -12.851 -5.762 -20.929 1.00 1.00 H new ATOM 300 N ASN A 19 -9.918 -5.000 -21.573 1.00 1.00 N ATOM 301 CA ASN A 19 -9.290 -5.763 -22.645 1.00 1.00 C ATOM 302 C ASN A 19 -9.221 -7.243 -22.280 1.00 1.00 C ATOM 303 O ASN A 19 -9.440 -8.111 -23.125 1.00 1.00 O ATOM 304 CB ASN A 19 -7.880 -5.233 -22.908 1.00 1.00 C ATOM 305 CG ASN A 19 -7.533 -5.384 -24.385 1.00 1.00 C ATOM 306 OD1 ASN A 19 -7.643 -6.478 -24.941 1.00 1.00 O ATOM 307 ND2 ASN A 19 -7.117 -4.346 -25.058 1.00 1.00 N ATOM 0 H ASN A 19 -10.887 -4.736 -21.750 1.00 1.00 H new ATOM 0 HA ASN A 19 -9.893 -5.651 -23.546 1.00 1.00 H new ATOM 0 HB2 ASN A 19 -7.816 -4.185 -22.616 1.00 1.00 H new ATOM 0 HB3 ASN A 19 -7.158 -5.778 -22.299 1.00 1.00 H new ATOM 0 HD21 ASN A 19 -6.882 -4.440 -26.046 1.00 1.00 H new ATOM 0 HD22 ASN A 19 -7.027 -3.441 -24.596 1.00 1.00 H new ATOM 314 N SER A 20 -8.915 -7.521 -21.017 1.00 1.00 N ATOM 315 CA SER A 20 -8.820 -8.901 -20.551 1.00 1.00 C ATOM 316 C SER A 20 -10.196 -9.431 -20.163 1.00 1.00 C ATOM 317 O SER A 20 -10.530 -10.583 -20.438 1.00 1.00 O ATOM 318 CB SER A 20 -7.881 -8.980 -19.347 1.00 1.00 C ATOM 319 OG SER A 20 -6.790 -9.836 -19.660 1.00 1.00 O ATOM 0 H SER A 20 -8.730 -6.817 -20.303 1.00 1.00 H new ATOM 0 HA SER A 20 -8.424 -9.513 -21.361 1.00 1.00 H new ATOM 0 HB2 SER A 20 -7.516 -7.986 -19.089 1.00 1.00 H new ATOM 0 HB3 SER A 20 -8.417 -9.358 -18.477 1.00 1.00 H new ATOM 0 HG SER A 20 -6.184 -9.888 -18.891 1.00 1.00 H new ATOM 325 N GLY A 21 -10.991 -8.581 -19.520 1.00 1.00 N ATOM 326 CA GLY A 21 -12.331 -8.975 -19.097 1.00 1.00 C ATOM 327 C GLY A 21 -12.742 -8.231 -17.831 1.00 1.00 C ATOM 328 O GLY A 21 -12.817 -7.003 -17.819 1.00 1.00 O ATOM 0 H GLY A 21 -10.734 -7.623 -19.282 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -13.045 -8.766 -19.894 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -12.359 -10.050 -18.917 1.00 1.00 H new ATOM 332 N GLY A 22 -13.010 -8.984 -16.769 1.00 1.00 N ATOM 333 CA GLY A 22 -13.415 -8.384 -15.503 1.00 1.00 C ATOM 334 C GLY A 22 -12.249 -8.332 -14.527 1.00 1.00 C ATOM 335 O GLY A 22 -11.281 -9.083 -14.655 1.00 1.00 O ATOM 0 H GLY A 22 -12.955 -10.002 -16.759 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -13.793 -7.377 -15.678 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -14.232 -8.960 -15.069 1.00 1.00 H new ATOM 339 N THR A 23 -12.352 -7.439 -13.552 1.00 1.00 N ATOM 340 CA THR A 23 -11.304 -7.289 -12.554 1.00 1.00 C ATOM 341 C THR A 23 -9.944 -7.124 -13.222 1.00 1.00 C ATOM 342 O THR A 23 -8.916 -7.500 -12.660 1.00 1.00 O ATOM 343 CB THR A 23 -11.280 -8.509 -11.631 1.00 1.00 C ATOM 344 OG1 THR A 23 -10.454 -9.515 -12.202 1.00 1.00 O ATOM 345 CG2 THR A 23 -12.700 -9.049 -11.459 1.00 1.00 C ATOM 0 H THR A 23 -13.147 -6.811 -13.432 1.00 1.00 H new ATOM 0 HA THR A 23 -11.516 -6.396 -11.967 1.00 1.00 H new ATOM 0 HB THR A 23 -10.884 -8.221 -10.657 1.00 1.00 H new ATOM 0 HG1 THR A 23 -10.789 -9.747 -13.093 1.00 1.00 H new ATOM 0 HG21 THR A 23 -12.682 -9.918 -10.801 1.00 1.00 H new ATOM 0 HG22 THR A 23 -13.333 -8.276 -11.022 1.00 1.00 H new ATOM 0 HG23 THR A 23 -13.100 -9.338 -12.431 1.00 1.00 H new ATOM 353 N ASN A 24 -9.946 -6.557 -14.426 1.00 1.00 N ATOM 354 CA ASN A 24 -8.707 -6.347 -15.164 1.00 1.00 C ATOM 355 C ASN A 24 -7.787 -7.556 -15.025 1.00 1.00 C ATOM 356 O ASN A 24 -6.737 -7.480 -14.386 1.00 1.00 O ATOM 357 CB ASN A 24 -7.993 -5.099 -14.640 1.00 1.00 C ATOM 358 CG ASN A 24 -8.939 -3.904 -14.669 1.00 1.00 C ATOM 359 OD1 ASN A 24 -9.593 -3.655 -15.682 1.00 1.00 O ATOM 360 ND2 ASN A 24 -9.053 -3.147 -13.613 1.00 1.00 N ATOM 0 H ASN A 24 -10.787 -6.237 -14.907 1.00 1.00 H new ATOM 0 HA ASN A 24 -8.953 -6.211 -16.217 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -7.643 -5.271 -13.622 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -7.113 -4.891 -15.249 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -9.685 -2.347 -13.625 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -8.510 -3.355 -12.775 1.00 1.00 H new ATOM 367 N GLY A 25 -8.187 -8.670 -15.631 1.00 1.00 N ATOM 368 CA GLY A 25 -7.390 -9.889 -15.569 1.00 1.00 C ATOM 369 C GLY A 25 -8.219 -11.104 -15.968 1.00 1.00 C ATOM 370 O GLY A 25 -7.828 -12.244 -15.720 1.00 1.00 O ATOM 0 H GLY A 25 -9.051 -8.753 -16.166 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -6.529 -9.799 -16.231 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -7.003 -10.024 -14.559 1.00 1.00 H new ATOM 374 N ASP A 26 -9.368 -10.852 -16.588 1.00 1.00 N ATOM 375 CA ASP A 26 -10.248 -11.932 -17.019 1.00 1.00 C ATOM 376 C ASP A 26 -11.030 -12.490 -15.836 1.00 1.00 C ATOM 377 O ASP A 26 -10.474 -12.710 -14.759 1.00 1.00 O ATOM 378 CB ASP A 26 -9.429 -13.051 -17.665 1.00 1.00 C ATOM 379 CG ASP A 26 -10.252 -13.741 -18.748 1.00 1.00 C ATOM 380 OD1 ASP A 26 -10.254 -13.252 -19.865 1.00 1.00 O ATOM 381 OD2 ASP A 26 -10.868 -14.749 -18.444 1.00 1.00 O ATOM 0 H ASP A 26 -9.710 -9.915 -16.802 1.00 1.00 H new ATOM 0 HA ASP A 26 -10.951 -11.531 -17.749 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -8.515 -12.642 -18.096 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -9.128 -13.776 -16.909 1.00 1.00 H new ATOM 386 N ARG A 27 -12.323 -12.719 -16.042 1.00 1.00 N ATOM 387 CA ARG A 27 -13.172 -13.254 -14.983 1.00 1.00 C ATOM 388 C ARG A 27 -12.951 -14.756 -14.829 1.00 1.00 C ATOM 389 O ARG A 27 -13.859 -15.554 -15.063 1.00 1.00 O ATOM 390 CB ARG A 27 -14.642 -12.983 -15.306 1.00 1.00 C ATOM 391 CG ARG A 27 -14.906 -13.286 -16.782 1.00 1.00 C ATOM 392 CD ARG A 27 -16.413 -13.395 -17.021 1.00 1.00 C ATOM 393 NE ARG A 27 -17.128 -12.451 -16.168 1.00 1.00 N ATOM 394 CZ ARG A 27 -17.164 -11.155 -16.458 1.00 1.00 C ATOM 395 NH1 ARG A 27 -16.552 -10.706 -17.519 1.00 1.00 N ATOM 396 NH2 ARG A 27 -17.813 -10.330 -15.681 1.00 1.00 N ATOM 0 H ARG A 27 -12.803 -12.544 -16.925 1.00 1.00 H new ATOM 0 HA ARG A 27 -12.910 -12.761 -14.047 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -15.283 -13.601 -14.677 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -14.887 -11.944 -15.088 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -14.484 -12.498 -17.407 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -14.414 -14.216 -17.067 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -16.638 -13.193 -18.068 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -16.749 -14.411 -16.813 1.00 1.00 H new ATOM 0 HE ARG A 27 -17.608 -12.792 -15.335 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -16.046 -11.350 -18.126 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -16.580 -9.711 -17.741 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -18.292 -10.681 -14.852 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -17.841 -9.335 -15.903 1.00 1.00 H new ATOM 410 N ASN A 28 -11.739 -15.133 -14.435 1.00 1.00 N ATOM 411 CA ASN A 28 -11.409 -16.542 -14.255 1.00 1.00 C ATOM 412 C ASN A 28 -10.579 -16.741 -12.990 1.00 1.00 C ATOM 413 O ASN A 28 -9.404 -16.377 -12.946 1.00 1.00 O ATOM 414 CB ASN A 28 -10.628 -17.053 -15.465 1.00 1.00 C ATOM 415 CG ASN A 28 -10.799 -18.563 -15.598 1.00 1.00 C ATOM 416 OD1 ASN A 28 -10.652 -19.112 -16.689 1.00 1.00 O ATOM 417 ND2 ASN A 28 -11.102 -19.271 -14.543 1.00 1.00 N ATOM 0 H ASN A 28 -10.974 -14.488 -14.236 1.00 1.00 H new ATOM 0 HA ASN A 28 -12.338 -17.104 -14.158 1.00 1.00 H new ATOM 0 HB2 ASN A 28 -10.980 -16.558 -16.370 1.00 1.00 H new ATOM 0 HB3 ASN A 28 -9.572 -16.807 -15.357 1.00 1.00 H new ATOM 0 HD21 ASN A 28 -11.217 -20.281 -14.623 1.00 1.00 H new ATOM 0 HD22 ASN A 28 -11.223 -18.814 -13.639 1.00 1.00 H new ATOM 424 N SER A 29 -11.201 -17.323 -11.967 1.00 1.00 N ATOM 425 CA SER A 29 -10.518 -17.571 -10.700 1.00 1.00 C ATOM 426 C SER A 29 -9.583 -16.417 -10.351 1.00 1.00 C ATOM 427 O SER A 29 -9.994 -15.256 -10.335 1.00 1.00 O ATOM 428 CB SER A 29 -9.714 -18.869 -10.789 1.00 1.00 C ATOM 429 OG SER A 29 -9.330 -19.274 -9.481 1.00 1.00 O ATOM 0 H SER A 29 -12.173 -17.631 -11.990 1.00 1.00 H new ATOM 0 HA SER A 29 -11.272 -17.658 -9.917 1.00 1.00 H new ATOM 0 HB2 SER A 29 -10.311 -19.648 -11.263 1.00 1.00 H new ATOM 0 HB3 SER A 29 -8.831 -18.721 -11.411 1.00 1.00 H new ATOM 0 HG SER A 29 -8.816 -20.107 -9.534 1.00 1.00 H new ATOM 435 N GLY A 30 -8.326 -16.745 -10.071 1.00 1.00 N ATOM 436 CA GLY A 30 -7.341 -15.726 -9.723 1.00 1.00 C ATOM 437 C GLY A 30 -5.968 -16.084 -10.280 1.00 1.00 C ATOM 438 O GLY A 30 -5.625 -17.259 -10.404 1.00 1.00 O ATOM 0 H GLY A 30 -7.967 -17.700 -10.078 1.00 1.00 H new ATOM 0 HA2 GLY A 30 -7.657 -14.760 -10.116 1.00 1.00 H new ATOM 0 HA3 GLY A 30 -7.283 -15.625 -8.639 1.00 1.00 H new ATOM 442 N ALA A 31 -5.185 -15.063 -10.613 1.00 1.00 N ATOM 443 CA ALA A 31 -3.849 -15.282 -11.155 1.00 1.00 C ATOM 444 C ALA A 31 -3.932 -15.845 -12.571 1.00 1.00 C ATOM 445 O ALA A 31 -5.019 -16.131 -13.073 1.00 1.00 O ATOM 446 CB ALA A 31 -3.075 -16.252 -10.262 1.00 1.00 C ATOM 0 H ALA A 31 -5.450 -14.083 -10.518 1.00 1.00 H new ATOM 0 HA ALA A 31 -3.328 -14.325 -11.186 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -2.078 -16.410 -10.674 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -2.991 -15.835 -9.259 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -3.603 -17.204 -10.215 1.00 1.00 H new ATOM 452 N ASN A 32 -2.776 -16.005 -13.207 1.00 1.00 N ATOM 453 CA ASN A 32 -2.730 -16.536 -14.564 1.00 1.00 C ATOM 454 C ASN A 32 -2.796 -18.059 -14.546 1.00 1.00 C ATOM 455 O ASN A 32 -3.806 -18.651 -14.924 1.00 1.00 O ATOM 456 CB ASN A 32 -1.443 -16.087 -15.257 1.00 1.00 C ATOM 457 CG ASN A 32 -1.531 -14.607 -15.614 1.00 1.00 C ATOM 458 OD1 ASN A 32 -0.776 -14.124 -16.458 1.00 1.00 O ATOM 459 ND2 ASN A 32 -2.412 -13.852 -15.016 1.00 1.00 N ATOM 0 H ASN A 32 -1.865 -15.777 -12.808 1.00 1.00 H new ATOM 0 HA ASN A 32 -3.590 -16.153 -15.113 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -0.588 -16.262 -14.603 1.00 1.00 H new ATOM 0 HB3 ASN A 32 -1.281 -16.678 -16.158 1.00 1.00 H new ATOM 0 HD21 ASN A 32 -2.475 -12.861 -15.248 1.00 1.00 H new ATOM 0 HD22 ASN A 32 -3.037 -14.253 -14.317 1.00 1.00 H new ATOM 466 N ASN A 33 -1.710 -18.688 -14.105 1.00 1.00 N ATOM 467 CA ASN A 33 -1.656 -20.144 -14.042 1.00 1.00 C ATOM 468 C ASN A 33 -0.999 -20.600 -12.744 1.00 1.00 C ATOM 469 O ASN A 33 -1.645 -21.205 -11.889 1.00 1.00 O ATOM 470 CB ASN A 33 -0.868 -20.690 -15.235 1.00 1.00 C ATOM 471 CG ASN A 33 -1.045 -19.773 -16.441 1.00 1.00 C ATOM 472 OD1 ASN A 33 -2.162 -19.603 -16.933 1.00 1.00 O ATOM 473 ND2 ASN A 33 -0.007 -19.168 -16.950 1.00 1.00 N ATOM 0 H ASN A 33 -0.863 -18.217 -13.789 1.00 1.00 H new ATOM 0 HA ASN A 33 -2.676 -20.528 -14.074 1.00 1.00 H new ATOM 0 HB2 ASN A 33 0.189 -20.767 -14.979 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -1.211 -21.695 -15.479 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -0.119 -18.553 -17.756 1.00 1.00 H new ATOM 0 HD22 ASN A 33 0.917 -19.310 -16.542 1.00 1.00 H new ATOM 480 N GLY A 34 0.290 -20.305 -12.603 1.00 1.00 N ATOM 481 CA GLY A 34 1.024 -20.690 -11.404 1.00 1.00 C ATOM 482 C GLY A 34 2.526 -20.515 -11.606 1.00 1.00 C ATOM 483 O GLY A 34 3.159 -19.687 -10.950 1.00 1.00 O ATOM 0 H GLY A 34 0.843 -19.805 -13.299 1.00 1.00 H new ATOM 0 HA2 GLY A 34 0.693 -20.084 -10.560 1.00 1.00 H new ATOM 0 HA3 GLY A 34 0.805 -21.729 -11.156 1.00 1.00 H new ATOM 487 N GLY A 35 3.091 -21.300 -12.518 1.00 1.00 N ATOM 488 CA GLY A 35 4.519 -21.223 -12.799 1.00 1.00 C ATOM 489 C GLY A 35 4.964 -19.775 -12.971 1.00 1.00 C ATOM 490 O GLY A 35 4.869 -19.211 -14.061 1.00 1.00 O ATOM 0 H GLY A 35 2.585 -21.992 -13.071 1.00 1.00 H new ATOM 0 HA2 GLY A 35 5.079 -21.685 -11.986 1.00 1.00 H new ATOM 0 HA3 GLY A 35 4.746 -21.787 -13.704 1.00 1.00 H new ATOM 494 N GLY A 36 5.448 -19.177 -11.887 1.00 1.00 N ATOM 495 CA GLY A 36 5.905 -17.792 -11.928 1.00 1.00 C ATOM 496 C GLY A 36 7.427 -17.719 -11.950 1.00 1.00 C ATOM 497 O GLY A 36 8.027 -16.935 -11.215 1.00 1.00 O ATOM 0 H GLY A 36 5.534 -19.626 -10.975 1.00 1.00 H new ATOM 0 HA2 GLY A 36 5.501 -17.298 -12.812 1.00 1.00 H new ATOM 0 HA3 GLY A 36 5.524 -17.254 -11.060 1.00 1.00 H new ATOM 501 N GLU A 37 8.039 -18.544 -12.802 1.00 1.00 N ATOM 502 CA GLU A 37 9.497 -18.581 -12.927 1.00 1.00 C ATOM 503 C GLU A 37 10.172 -18.318 -11.585 1.00 1.00 C ATOM 504 O GLU A 37 10.820 -17.288 -11.396 1.00 1.00 O ATOM 505 CB GLU A 37 9.957 -17.533 -13.944 1.00 1.00 C ATOM 506 CG GLU A 37 9.358 -17.854 -15.315 1.00 1.00 C ATOM 507 CD GLU A 37 7.865 -17.544 -15.317 1.00 1.00 C ATOM 508 OE1 GLU A 37 7.453 -16.707 -14.532 1.00 1.00 O ATOM 509 OE2 GLU A 37 7.157 -18.149 -16.106 1.00 1.00 O ATOM 0 H GLU A 37 7.548 -19.195 -13.415 1.00 1.00 H new ATOM 0 HA GLU A 37 9.782 -19.577 -13.267 1.00 1.00 H new ATOM 0 HB2 GLU A 37 9.646 -16.539 -13.623 1.00 1.00 H new ATOM 0 HB3 GLU A 37 11.045 -17.523 -14.004 1.00 1.00 H new ATOM 0 HG2 GLU A 37 9.860 -17.270 -16.086 1.00 1.00 H new ATOM 0 HG3 GLU A 37 9.520 -18.905 -15.555 1.00 1.00 H new ATOM 516 N ASN A 38 10.017 -19.255 -10.655 1.00 1.00 N ATOM 517 CA ASN A 38 10.617 -19.115 -9.334 1.00 1.00 C ATOM 518 C ASN A 38 10.471 -17.684 -8.825 1.00 1.00 C ATOM 519 O ASN A 38 11.375 -17.147 -8.186 1.00 1.00 O ATOM 520 CB ASN A 38 12.098 -19.491 -9.390 1.00 1.00 C ATOM 521 CG ASN A 38 12.251 -20.939 -9.843 1.00 1.00 C ATOM 522 OD1 ASN A 38 12.172 -21.229 -11.036 1.00 1.00 O ATOM 523 ND2 ASN A 38 12.467 -21.873 -8.954 1.00 1.00 N ATOM 0 H ASN A 38 9.484 -20.114 -10.791 1.00 1.00 H new ATOM 0 HA ASN A 38 10.098 -19.785 -8.649 1.00 1.00 H new ATOM 0 HB2 ASN A 38 12.624 -18.829 -10.077 1.00 1.00 H new ATOM 0 HB3 ASN A 38 12.553 -19.358 -8.408 1.00 1.00 H new ATOM 0 HD21 ASN A 38 12.570 -22.844 -9.249 1.00 1.00 H new ATOM 0 HD22 ASN A 38 12.532 -21.631 -7.965 1.00 1.00 H new ATOM 530 N SER A 39 9.328 -17.073 -9.115 1.00 1.00 N ATOM 531 CA SER A 39 9.071 -15.704 -8.683 1.00 1.00 C ATOM 532 C SER A 39 7.588 -15.501 -8.399 1.00 1.00 C ATOM 533 O SER A 39 6.734 -16.129 -9.028 1.00 1.00 O ATOM 534 CB SER A 39 9.525 -14.723 -9.763 1.00 1.00 C ATOM 535 OG SER A 39 8.441 -13.872 -10.110 1.00 1.00 O ATOM 0 H SER A 39 8.568 -17.501 -9.644 1.00 1.00 H new ATOM 0 HA SER A 39 9.632 -15.521 -7.767 1.00 1.00 H new ATOM 0 HB2 SER A 39 10.366 -14.131 -9.402 1.00 1.00 H new ATOM 0 HB3 SER A 39 9.871 -15.267 -10.642 1.00 1.00 H new ATOM 0 HG SER A 39 8.729 -13.241 -10.802 1.00 1.00 H new ATOM 541 N ALA A 40 7.283 -14.623 -7.450 1.00 1.00 N ATOM 542 CA ALA A 40 5.896 -14.349 -7.094 1.00 1.00 C ATOM 543 C ALA A 40 5.072 -14.056 -8.344 1.00 1.00 C ATOM 544 O ALA A 40 5.624 -13.761 -9.405 1.00 1.00 O ATOM 545 CB ALA A 40 5.828 -13.157 -6.139 1.00 1.00 C ATOM 0 H ALA A 40 7.972 -14.092 -6.917 1.00 1.00 H new ATOM 0 HA ALA A 40 5.484 -15.229 -6.601 1.00 1.00 H new ATOM 0 HB1 ALA A 40 4.788 -12.959 -5.878 1.00 1.00 H new ATOM 0 HB2 ALA A 40 6.393 -13.383 -5.234 1.00 1.00 H new ATOM 0 HB3 ALA A 40 6.254 -12.278 -6.623 1.00 1.00 H new ATOM 551 N PRO A 41 3.769 -14.130 -8.243 1.00 1.00 N ATOM 552 CA PRO A 41 2.860 -13.869 -9.391 1.00 1.00 C ATOM 553 C PRO A 41 3.345 -12.707 -10.267 1.00 1.00 C ATOM 554 O PRO A 41 3.909 -12.931 -11.337 1.00 1.00 O ATOM 555 CB PRO A 41 1.516 -13.564 -8.721 1.00 1.00 C ATOM 556 CG PRO A 41 1.547 -14.286 -7.413 1.00 1.00 C ATOM 557 CD PRO A 41 3.019 -14.474 -7.024 1.00 1.00 C ATOM 0 HA PRO A 41 2.806 -14.712 -10.080 1.00 1.00 H new ATOM 0 HB2 PRO A 41 1.385 -12.492 -8.574 1.00 1.00 H new ATOM 0 HB3 PRO A 41 0.684 -13.905 -9.337 1.00 1.00 H new ATOM 0 HG2 PRO A 41 1.018 -13.717 -6.648 1.00 1.00 H new ATOM 0 HG3 PRO A 41 1.046 -15.251 -7.496 1.00 1.00 H new ATOM 0 HD2 PRO A 41 3.295 -13.827 -6.192 1.00 1.00 H new ATOM 0 HD3 PRO A 41 3.219 -15.499 -6.711 1.00 1.00 H new ATOM 565 N VAL A 42 3.128 -11.472 -9.813 1.00 1.00 N ATOM 566 CA VAL A 42 3.551 -10.296 -10.572 1.00 1.00 C ATOM 567 C VAL A 42 3.606 -9.068 -9.667 1.00 1.00 C ATOM 568 O VAL A 42 2.578 -8.456 -9.377 1.00 1.00 O ATOM 569 CB VAL A 42 2.579 -10.011 -11.730 1.00 1.00 C ATOM 570 CG1 VAL A 42 3.229 -10.391 -13.064 1.00 1.00 C ATOM 571 CG2 VAL A 42 1.287 -10.815 -11.547 1.00 1.00 C ATOM 0 H VAL A 42 2.665 -11.261 -8.929 1.00 1.00 H new ATOM 0 HA VAL A 42 4.542 -10.504 -10.974 1.00 1.00 H new ATOM 0 HB VAL A 42 2.342 -8.947 -11.731 1.00 1.00 H new ATOM 0 HG11 VAL A 42 2.534 -10.186 -13.879 1.00 1.00 H new ATOM 0 HG12 VAL A 42 4.137 -9.806 -13.206 1.00 1.00 H new ATOM 0 HG13 VAL A 42 3.478 -11.452 -13.058 1.00 1.00 H new ATOM 0 HG21 VAL A 42 0.607 -10.605 -12.373 1.00 1.00 H new ATOM 0 HG22 VAL A 42 1.520 -11.880 -11.531 1.00 1.00 H new ATOM 0 HG23 VAL A 42 0.813 -10.533 -10.607 1.00 1.00 H new ATOM 581 N GLY A 43 4.808 -8.707 -9.227 1.00 1.00 N ATOM 582 CA GLY A 43 4.971 -7.542 -8.361 1.00 1.00 C ATOM 583 C GLY A 43 4.915 -7.941 -6.890 1.00 1.00 C ATOM 584 O GLY A 43 5.303 -7.170 -6.013 1.00 1.00 O ATOM 0 H GLY A 43 5.674 -9.197 -9.452 1.00 1.00 H new ATOM 0 HA2 GLY A 43 5.924 -7.057 -8.574 1.00 1.00 H new ATOM 0 HA3 GLY A 43 4.188 -6.814 -8.574 1.00 1.00 H new ATOM 588 N ALA A 44 4.429 -9.148 -6.626 1.00 1.00 N ATOM 589 CA ALA A 44 4.330 -9.634 -5.256 1.00 1.00 C ATOM 590 C ALA A 44 5.715 -9.955 -4.703 1.00 1.00 C ATOM 591 O ALA A 44 5.932 -9.933 -3.491 1.00 1.00 O ATOM 592 CB ALA A 44 3.453 -10.886 -5.206 1.00 1.00 C ATOM 0 H ALA A 44 4.100 -9.803 -7.336 1.00 1.00 H new ATOM 0 HA ALA A 44 3.878 -8.853 -4.644 1.00 1.00 H new ATOM 0 HB1 ALA A 44 3.385 -11.242 -4.178 1.00 1.00 H new ATOM 0 HB2 ALA A 44 2.455 -10.646 -5.574 1.00 1.00 H new ATOM 0 HB3 ALA A 44 3.893 -11.663 -5.831 1.00 1.00 H new ATOM 598 N ALA A 45 6.648 -10.254 -5.602 1.00 1.00 N ATOM 599 CA ALA A 45 8.011 -10.580 -5.195 1.00 1.00 C ATOM 600 C ALA A 45 8.687 -9.372 -4.554 1.00 1.00 C ATOM 601 O ALA A 45 9.418 -9.510 -3.573 1.00 1.00 O ATOM 602 CB ALA A 45 8.823 -11.036 -6.408 1.00 1.00 C ATOM 0 H ALA A 45 6.488 -10.277 -6.609 1.00 1.00 H new ATOM 0 HA ALA A 45 7.966 -11.386 -4.462 1.00 1.00 H new ATOM 0 HB1 ALA A 45 9.839 -11.277 -6.096 1.00 1.00 H new ATOM 0 HB2 ALA A 45 8.358 -11.920 -6.846 1.00 1.00 H new ATOM 0 HB3 ALA A 45 8.851 -10.237 -7.148 1.00 1.00 H new ATOM 608 N ILE A 46 8.441 -8.192 -5.112 1.00 1.00 N ATOM 609 CA ILE A 46 9.037 -6.970 -4.581 1.00 1.00 C ATOM 610 C ILE A 46 8.242 -6.466 -3.380 1.00 1.00 C ATOM 611 O ILE A 46 8.773 -5.763 -2.522 1.00 1.00 O ATOM 612 CB ILE A 46 9.077 -5.892 -5.666 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.685 -5.727 -6.277 1.00 1.00 C ATOM 614 CG2 ILE A 46 10.065 -6.300 -6.761 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.678 -4.515 -7.211 1.00 1.00 C ATOM 0 H ILE A 46 7.839 -8.055 -5.924 1.00 1.00 H new ATOM 0 HA ILE A 46 10.054 -7.193 -4.259 1.00 1.00 H new ATOM 0 HB ILE A 46 9.395 -4.949 -5.222 1.00 1.00 H new ATOM 0 HG12 ILE A 46 7.409 -6.626 -6.828 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.943 -5.596 -5.489 1.00 1.00 H new ATOM 0 HG21 ILE A 46 10.091 -5.530 -7.532 1.00 1.00 H new ATOM 0 HG22 ILE A 46 11.059 -6.415 -6.329 1.00 1.00 H new ATOM 0 HG23 ILE A 46 9.749 -7.245 -7.202 1.00 1.00 H new ATOM 0 HD11 ILE A 46 6.686 -4.397 -7.647 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.935 -3.619 -6.646 1.00 1.00 H new ATOM 0 HD13 ILE A 46 8.408 -4.664 -8.006 1.00 1.00 H new ATOM 627 N ALA A 47 6.968 -6.831 -3.323 1.00 1.00 N ATOM 628 CA ALA A 47 6.116 -6.412 -2.216 1.00 1.00 C ATOM 629 C ALA A 47 6.595 -7.034 -0.905 1.00 1.00 C ATOM 630 O ALA A 47 6.331 -6.507 0.175 1.00 1.00 O ATOM 631 CB ALA A 47 4.669 -6.830 -2.482 1.00 1.00 C ATOM 0 H ALA A 47 6.504 -7.411 -4.023 1.00 1.00 H new ATOM 0 HA ALA A 47 6.170 -5.327 -2.132 1.00 1.00 H new ATOM 0 HB1 ALA A 47 4.040 -6.513 -1.650 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.318 -6.361 -3.401 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.616 -7.914 -2.584 1.00 1.00 H new ATOM 637 N ASN A 48 7.299 -8.157 -1.013 1.00 1.00 N ATOM 638 CA ASN A 48 7.810 -8.847 0.166 1.00 1.00 C ATOM 639 C ASN A 48 9.134 -8.240 0.603 1.00 1.00 C ATOM 640 O ASN A 48 9.525 -8.337 1.766 1.00 1.00 O ATOM 641 CB ASN A 48 7.997 -10.334 -0.139 1.00 1.00 C ATOM 642 CG ASN A 48 6.641 -11.031 -0.166 1.00 1.00 C ATOM 643 OD1 ASN A 48 5.638 -10.419 -0.533 1.00 1.00 O ATOM 644 ND2 ASN A 48 6.547 -12.277 0.210 1.00 1.00 N ATOM 0 H ASN A 48 7.527 -8.606 -1.900 1.00 1.00 H new ATOM 0 HA ASN A 48 7.088 -8.735 0.975 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.499 -10.457 -1.099 1.00 1.00 H new ATOM 0 HB3 ASN A 48 8.636 -10.792 0.616 1.00 1.00 H new ATOM 0 HD21 ASN A 48 5.641 -12.746 0.200 1.00 1.00 H new ATOM 0 HD22 ASN A 48 7.379 -12.782 0.514 1.00 1.00 H new ATOM 651 N PHE A 49 9.820 -7.617 -0.346 1.00 1.00 N ATOM 652 CA PHE A 49 11.105 -6.993 -0.066 1.00 1.00 C ATOM 653 C PHE A 49 10.933 -5.787 0.853 1.00 1.00 C ATOM 654 O PHE A 49 11.876 -5.027 1.077 1.00 1.00 O ATOM 655 CB PHE A 49 11.754 -6.559 -1.378 1.00 1.00 C ATOM 656 CG PHE A 49 12.630 -7.672 -1.900 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.083 -8.942 -2.121 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.983 -7.437 -2.170 1.00 1.00 C ATOM 659 CE1 PHE A 49 12.890 -9.975 -2.610 1.00 1.00 C ATOM 660 CE2 PHE A 49 14.790 -8.471 -2.661 1.00 1.00 C ATOM 661 CZ PHE A 49 14.243 -9.740 -2.880 1.00 1.00 C ATOM 0 H PHE A 49 9.509 -7.531 -1.314 1.00 1.00 H new ATOM 0 HA PHE A 49 11.745 -7.717 0.438 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.986 -6.312 -2.111 1.00 1.00 H new ATOM 0 HB3 PHE A 49 12.347 -5.658 -1.222 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.039 -9.124 -1.914 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.405 -6.458 -2.000 1.00 1.00 H new ATOM 0 HE1 PHE A 49 12.468 -10.955 -2.779 1.00 1.00 H new ATOM 0 HE2 PHE A 49 15.834 -8.289 -2.870 1.00 1.00 H new ATOM 0 HZ PHE A 49 14.865 -10.538 -3.257 1.00 1.00 H new ATOM 671 N LEU A 50 9.728 -5.626 1.390 1.00 1.00 N ATOM 672 CA LEU A 50 9.437 -4.518 2.295 1.00 1.00 C ATOM 673 C LEU A 50 8.742 -5.046 3.550 1.00 1.00 C ATOM 674 O LEU A 50 7.574 -5.432 3.507 1.00 1.00 O ATOM 675 CB LEU A 50 8.528 -3.493 1.600 1.00 1.00 C ATOM 676 CG LEU A 50 9.327 -2.668 0.575 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.705 -2.836 -0.811 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.284 -1.186 0.965 1.00 1.00 C ATOM 0 H LEU A 50 8.938 -6.247 1.215 1.00 1.00 H new ATOM 0 HA LEU A 50 10.374 -4.035 2.573 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.707 -4.007 1.101 1.00 1.00 H new ATOM 0 HB3 LEU A 50 8.084 -2.830 2.343 1.00 1.00 H new ATOM 0 HG LEU A 50 10.360 -3.015 0.560 1.00 1.00 H new ATOM 0 HD11 LEU A 50 9.271 -2.252 -1.537 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.728 -3.888 -1.095 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.672 -2.488 -0.791 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.850 -0.602 0.239 1.00 1.00 H new ATOM 0 HD22 LEU A 50 8.249 -0.843 0.979 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.722 -1.057 1.955 1.00 1.00 H new ATOM 690 N GLU A 51 9.471 -5.069 4.662 1.00 1.00 N ATOM 691 CA GLU A 51 8.919 -5.564 5.922 1.00 1.00 C ATOM 692 C GLU A 51 7.518 -4.990 6.161 1.00 1.00 C ATOM 693 O GLU A 51 7.205 -3.898 5.685 1.00 1.00 O ATOM 694 CB GLU A 51 9.844 -5.173 7.078 1.00 1.00 C ATOM 695 CG GLU A 51 10.968 -6.202 7.205 1.00 1.00 C ATOM 696 CD GLU A 51 10.456 -7.451 7.914 1.00 1.00 C ATOM 697 OE1 GLU A 51 9.890 -8.299 7.244 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.639 -7.543 9.118 1.00 1.00 O ATOM 0 H GLU A 51 10.439 -4.753 4.718 1.00 1.00 H new ATOM 0 HA GLU A 51 8.843 -6.650 5.867 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.263 -4.182 6.903 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.278 -5.121 8.008 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.345 -6.464 6.217 1.00 1.00 H new ATOM 0 HG3 GLU A 51 11.802 -5.774 7.761 1.00 1.00 H new ATOM 705 N PRO A 52 6.670 -5.697 6.878 1.00 1.00 N ATOM 706 CA PRO A 52 5.278 -5.234 7.168 1.00 1.00 C ATOM 707 C PRO A 52 5.243 -3.934 7.971 1.00 1.00 C ATOM 708 O PRO A 52 4.601 -2.964 7.571 1.00 1.00 O ATOM 709 CB PRO A 52 4.652 -6.384 7.967 1.00 1.00 C ATOM 710 CG PRO A 52 5.797 -7.186 8.487 1.00 1.00 C ATOM 711 CD PRO A 52 6.941 -7.007 7.494 1.00 1.00 C ATOM 0 HA PRO A 52 4.739 -5.009 6.248 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.038 -6.004 8.783 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.003 -6.991 7.336 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.089 -6.845 9.480 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.524 -8.237 8.578 1.00 1.00 H new ATOM 0 HD2 PRO A 52 7.910 -7.022 7.993 1.00 1.00 H new ATOM 0 HD3 PRO A 52 6.954 -7.804 6.750 1.00 1.00 H new ATOM 719 N GLN A 53 5.936 -3.922 9.106 1.00 1.00 N ATOM 720 CA GLN A 53 5.967 -2.730 9.946 1.00 1.00 C ATOM 721 C GLN A 53 6.566 -1.564 9.170 1.00 1.00 C ATOM 722 O GLN A 53 6.017 -0.463 9.155 1.00 1.00 O ATOM 723 CB GLN A 53 6.800 -2.996 11.202 1.00 1.00 C ATOM 724 CG GLN A 53 6.329 -2.075 12.331 1.00 1.00 C ATOM 725 CD GLN A 53 7.474 -1.821 13.306 1.00 1.00 C ATOM 726 OE1 GLN A 53 7.961 -0.695 13.412 1.00 1.00 O ATOM 727 NE2 GLN A 53 7.933 -2.806 14.029 1.00 1.00 N ATOM 0 H GLN A 53 6.476 -4.711 9.461 1.00 1.00 H new ATOM 0 HA GLN A 53 4.948 -2.479 10.240 1.00 1.00 H new ATOM 0 HB2 GLN A 53 6.700 -4.039 11.503 1.00 1.00 H new ATOM 0 HB3 GLN A 53 7.856 -2.824 10.994 1.00 1.00 H new ATOM 0 HG2 GLN A 53 5.975 -1.130 11.918 1.00 1.00 H new ATOM 0 HG3 GLN A 53 5.488 -2.529 12.855 1.00 1.00 H new ATOM 0 HE21 GLN A 53 7.527 -3.737 13.939 1.00 1.00 H new ATOM 0 HE22 GLN A 53 8.698 -2.644 14.685 1.00 1.00 H new ATOM 736 N ALA A 54 7.690 -1.822 8.515 1.00 1.00 N ATOM 737 CA ALA A 54 8.356 -0.797 7.724 1.00 1.00 C ATOM 738 C ALA A 54 7.440 -0.317 6.611 1.00 1.00 C ATOM 739 O ALA A 54 7.527 0.829 6.169 1.00 1.00 O ATOM 740 CB ALA A 54 9.640 -1.356 7.114 1.00 1.00 C ATOM 0 H ALA A 54 8.158 -2.728 8.516 1.00 1.00 H new ATOM 0 HA ALA A 54 8.600 0.040 8.378 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.130 -0.581 6.524 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.308 -1.684 7.910 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.399 -2.203 6.471 1.00 1.00 H new ATOM 746 N LEU A 55 6.564 -1.204 6.161 1.00 1.00 N ATOM 747 CA LEU A 55 5.636 -0.858 5.090 1.00 1.00 C ATOM 748 C LEU A 55 4.769 0.322 5.512 1.00 1.00 C ATOM 749 O LEU A 55 4.429 1.182 4.699 1.00 1.00 O ATOM 750 CB LEU A 55 4.748 -2.057 4.748 1.00 1.00 C ATOM 751 CG LEU A 55 4.797 -2.316 3.239 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.906 -3.511 2.893 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.295 -1.077 2.492 1.00 1.00 C ATOM 0 H LEU A 55 6.475 -2.157 6.514 1.00 1.00 H new ATOM 0 HA LEU A 55 6.211 -0.582 4.206 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.086 -2.940 5.290 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.722 -1.864 5.061 1.00 1.00 H new ATOM 0 HG LEU A 55 5.824 -2.531 2.943 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.943 -3.693 1.819 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.261 -4.395 3.423 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.879 -3.297 3.190 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.330 -1.261 1.418 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.269 -0.863 2.791 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.929 -0.224 2.735 1.00 1.00 H new ATOM 765 N GLU A 56 4.423 0.360 6.793 1.00 1.00 N ATOM 766 CA GLU A 56 3.607 1.442 7.322 1.00 1.00 C ATOM 767 C GLU A 56 4.399 2.747 7.338 1.00 1.00 C ATOM 768 O GLU A 56 3.845 3.824 7.117 1.00 1.00 O ATOM 769 CB GLU A 56 3.145 1.104 8.741 1.00 1.00 C ATOM 770 CG GLU A 56 1.634 0.859 8.746 1.00 1.00 C ATOM 771 CD GLU A 56 1.286 -0.288 7.803 1.00 1.00 C ATOM 772 OE1 GLU A 56 2.192 -1.010 7.420 1.00 1.00 O ATOM 773 OE2 GLU A 56 0.120 -0.423 7.471 1.00 1.00 O ATOM 0 H GLU A 56 4.694 -0.343 7.481 1.00 1.00 H new ATOM 0 HA GLU A 56 2.736 1.565 6.679 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.668 0.219 9.103 1.00 1.00 H new ATOM 0 HB3 GLU A 56 3.393 1.921 9.419 1.00 1.00 H new ATOM 0 HG2 GLU A 56 1.299 0.624 9.756 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.110 1.764 8.439 1.00 1.00 H new ATOM 780 N ARG A 57 5.697 2.644 7.611 1.00 1.00 N ATOM 781 CA ARG A 57 6.552 3.820 7.664 1.00 1.00 C ATOM 782 C ARG A 57 6.537 4.572 6.335 1.00 1.00 C ATOM 783 O ARG A 57 6.235 5.764 6.295 1.00 1.00 O ATOM 784 CB ARG A 57 7.987 3.404 7.993 1.00 1.00 C ATOM 785 CG ARG A 57 8.453 4.132 9.255 1.00 1.00 C ATOM 786 CD ARG A 57 8.449 5.642 9.009 1.00 1.00 C ATOM 787 NE ARG A 57 7.526 6.296 9.931 1.00 1.00 N ATOM 788 CZ ARG A 57 7.315 7.607 9.882 1.00 1.00 C ATOM 789 NH1 ARG A 57 7.948 8.338 9.005 1.00 1.00 N ATOM 790 NH2 ARG A 57 6.474 8.164 10.709 1.00 1.00 N ATOM 0 H ARG A 57 6.175 1.762 7.798 1.00 1.00 H new ATOM 0 HA ARG A 57 6.169 4.481 8.442 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.039 2.326 8.142 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.646 3.642 7.158 1.00 1.00 H new ATOM 0 HG2 ARG A 57 7.797 3.888 10.091 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.455 3.801 9.529 1.00 1.00 H new ATOM 0 HD2 ARG A 57 9.454 6.043 9.142 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.156 5.850 7.980 1.00 1.00 H new ATOM 0 HE ARG A 57 7.033 5.736 10.627 1.00 1.00 H new ATOM 0 HH11 ARG A 57 8.605 7.903 8.357 1.00 1.00 H new ATOM 0 HH12 ARG A 57 7.786 9.344 8.968 1.00 1.00 H new ATOM 0 HH21 ARG A 57 5.978 7.593 11.394 1.00 1.00 H new ATOM 0 HH22 ARG A 57 6.312 9.170 10.671 1.00 1.00 H new ATOM 804 N LEU A 58 6.871 3.875 5.253 1.00 1.00 N ATOM 805 CA LEU A 58 6.892 4.510 3.939 1.00 1.00 C ATOM 806 C LEU A 58 5.512 5.081 3.616 1.00 1.00 C ATOM 807 O LEU A 58 5.387 6.111 2.956 1.00 1.00 O ATOM 808 CB LEU A 58 7.312 3.495 2.867 1.00 1.00 C ATOM 809 CG LEU A 58 7.327 4.156 1.480 1.00 1.00 C ATOM 810 CD1 LEU A 58 8.265 5.365 1.480 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.821 3.146 0.440 1.00 1.00 C ATOM 0 H LEU A 58 7.127 2.888 5.258 1.00 1.00 H new ATOM 0 HA LEU A 58 7.617 5.324 3.950 1.00 1.00 H new ATOM 0 HB2 LEU A 58 8.301 3.100 3.099 1.00 1.00 H new ATOM 0 HB3 LEU A 58 6.623 2.650 2.867 1.00 1.00 H new ATOM 0 HG LEU A 58 6.316 4.483 1.236 1.00 1.00 H new ATOM 0 HD11 LEU A 58 8.267 5.824 0.491 1.00 1.00 H new ATOM 0 HD12 LEU A 58 7.922 6.091 2.217 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.275 5.042 1.731 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.832 3.614 -0.545 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.829 2.821 0.699 1.00 1.00 H new ATOM 0 HD23 LEU A 58 7.154 2.284 0.425 1.00 1.00 H new ATOM 823 N SER A 59 4.474 4.409 4.094 1.00 1.00 N ATOM 824 CA SER A 59 3.113 4.875 3.870 1.00 1.00 C ATOM 825 C SER A 59 2.874 6.187 4.619 1.00 1.00 C ATOM 826 O SER A 59 2.157 7.068 4.144 1.00 1.00 O ATOM 827 CB SER A 59 2.113 3.822 4.348 1.00 1.00 C ATOM 828 OG SER A 59 1.203 3.528 3.298 1.00 1.00 O ATOM 0 H SER A 59 4.547 3.547 4.635 1.00 1.00 H new ATOM 0 HA SER A 59 2.974 5.044 2.802 1.00 1.00 H new ATOM 0 HB2 SER A 59 2.638 2.917 4.653 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.573 4.187 5.221 1.00 1.00 H new ATOM 0 HG SER A 59 0.562 2.852 3.601 1.00 1.00 H new ATOM 834 N ARG A 60 3.464 6.289 5.810 1.00 1.00 N ATOM 835 CA ARG A 60 3.303 7.470 6.658 1.00 1.00 C ATOM 836 C ARG A 60 3.953 8.718 6.056 1.00 1.00 C ATOM 837 O ARG A 60 3.355 9.793 6.055 1.00 1.00 O ATOM 838 CB ARG A 60 3.922 7.202 8.030 1.00 1.00 C ATOM 839 CG ARG A 60 3.290 8.133 9.068 1.00 1.00 C ATOM 840 CD ARG A 60 2.124 7.419 9.752 1.00 1.00 C ATOM 841 NE ARG A 60 1.430 8.335 10.651 1.00 1.00 N ATOM 842 CZ ARG A 60 0.438 7.915 11.431 1.00 1.00 C ATOM 843 NH1 ARG A 60 0.071 6.663 11.402 1.00 1.00 N ATOM 844 NH2 ARG A 60 -0.167 8.754 12.225 1.00 1.00 N ATOM 0 H ARG A 60 4.060 5.565 6.211 1.00 1.00 H new ATOM 0 HA ARG A 60 2.233 7.660 6.744 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.764 6.162 8.315 1.00 1.00 H new ATOM 0 HB3 ARG A 60 5.000 7.361 7.992 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.034 8.428 9.808 1.00 1.00 H new ATOM 0 HG3 ARG A 60 2.939 9.046 8.587 1.00 1.00 H new ATOM 0 HD2 ARG A 60 1.430 7.039 9.002 1.00 1.00 H new ATOM 0 HD3 ARG A 60 2.492 6.559 10.311 1.00 1.00 H new ATOM 0 HE ARG A 60 1.711 9.315 10.682 1.00 1.00 H new ATOM 0 HH11 ARG A 60 0.545 6.007 10.781 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -0.690 6.341 12.000 1.00 1.00 H new ATOM 0 HH21 ARG A 60 0.121 9.732 12.248 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -0.928 8.432 12.823 1.00 1.00 H new ATOM 858 N VAL A 61 5.181 8.580 5.566 1.00 1.00 N ATOM 859 CA VAL A 61 5.887 9.723 4.990 1.00 1.00 C ATOM 860 C VAL A 61 5.234 10.165 3.683 1.00 1.00 C ATOM 861 O VAL A 61 5.104 11.359 3.418 1.00 1.00 O ATOM 862 CB VAL A 61 7.354 9.362 4.748 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.430 8.168 3.814 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.083 10.553 4.119 1.00 1.00 C ATOM 0 H VAL A 61 5.703 7.704 5.555 1.00 1.00 H new ATOM 0 HA VAL A 61 5.832 10.552 5.696 1.00 1.00 H new ATOM 0 HB VAL A 61 7.828 9.114 5.698 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.474 7.908 3.640 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.916 7.320 4.265 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.955 8.417 2.865 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.127 10.292 3.948 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.613 10.807 3.169 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.029 11.409 4.791 1.00 1.00 H new ATOM 874 N ALA A 62 4.832 9.196 2.865 1.00 1.00 N ATOM 875 CA ALA A 62 4.198 9.504 1.587 1.00 1.00 C ATOM 876 C ALA A 62 3.076 10.523 1.771 1.00 1.00 C ATOM 877 O ALA A 62 2.882 11.403 0.933 1.00 1.00 O ATOM 878 CB ALA A 62 3.631 8.226 0.965 1.00 1.00 C ATOM 0 H ALA A 62 4.933 8.200 3.062 1.00 1.00 H new ATOM 0 HA ALA A 62 4.952 9.930 0.925 1.00 1.00 H new ATOM 0 HB1 ALA A 62 3.159 8.464 0.011 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.438 7.511 0.803 1.00 1.00 H new ATOM 0 HB3 ALA A 62 2.891 7.791 1.637 1.00 1.00 H new ATOM 884 N LEU A 63 2.338 10.397 2.869 1.00 1.00 N ATOM 885 CA LEU A 63 1.236 11.314 3.146 1.00 1.00 C ATOM 886 C LEU A 63 1.741 12.748 3.256 1.00 1.00 C ATOM 887 O LEU A 63 0.966 13.697 3.144 1.00 1.00 O ATOM 888 CB LEU A 63 0.546 10.923 4.453 1.00 1.00 C ATOM 889 CG LEU A 63 -0.351 9.708 4.214 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.473 8.898 5.506 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.742 10.180 3.778 1.00 1.00 C ATOM 0 H LEU A 63 2.480 9.676 3.576 1.00 1.00 H new ATOM 0 HA LEU A 63 0.526 11.250 2.321 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.291 10.694 5.215 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -0.047 11.758 4.827 1.00 1.00 H new ATOM 0 HG LEU A 63 0.085 9.084 3.434 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.113 8.032 5.334 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.515 8.562 5.820 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -0.909 9.522 6.287 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.383 9.315 3.607 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.176 10.804 4.559 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.658 10.757 2.857 1.00 1.00 H new ATOM 903 N VAL A 64 3.043 12.896 3.485 1.00 1.00 N ATOM 904 CA VAL A 64 3.641 14.219 3.620 1.00 1.00 C ATOM 905 C VAL A 64 4.461 14.578 2.383 1.00 1.00 C ATOM 906 O VAL A 64 4.308 15.665 1.829 1.00 1.00 O ATOM 907 CB VAL A 64 4.530 14.266 4.863 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.408 15.641 5.520 1.00 1.00 C ATOM 909 CG2 VAL A 64 4.075 13.195 5.858 1.00 1.00 C ATOM 0 H VAL A 64 3.700 12.121 3.580 1.00 1.00 H new ATOM 0 HA VAL A 64 2.837 14.947 3.722 1.00 1.00 H new ATOM 0 HB VAL A 64 5.565 14.083 4.575 1.00 1.00 H new ATOM 0 HG11 VAL A 64 5.041 15.678 6.407 1.00 1.00 H new ATOM 0 HG12 VAL A 64 4.725 16.410 4.816 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.371 15.817 5.807 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.709 13.229 6.744 1.00 1.00 H new ATOM 0 HG22 VAL A 64 3.040 13.381 6.145 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.152 12.212 5.394 1.00 1.00 H new ATOM 919 N ARG A 65 5.316 13.655 1.945 1.00 1.00 N ATOM 920 CA ARG A 65 6.139 13.894 0.759 1.00 1.00 C ATOM 921 C ARG A 65 6.170 12.652 -0.130 1.00 1.00 C ATOM 922 O ARG A 65 7.086 11.835 -0.061 1.00 1.00 O ATOM 923 CB ARG A 65 7.572 14.281 1.153 1.00 1.00 C ATOM 924 CG ARG A 65 7.845 15.747 0.790 1.00 1.00 C ATOM 925 CD ARG A 65 6.943 16.675 1.604 1.00 1.00 C ATOM 926 NE ARG A 65 5.856 17.175 0.768 1.00 1.00 N ATOM 927 CZ ARG A 65 5.180 18.271 1.100 1.00 1.00 C ATOM 928 NH1 ARG A 65 5.480 18.919 2.193 1.00 1.00 N ATOM 929 NH2 ARG A 65 4.216 18.699 0.331 1.00 1.00 N ATOM 0 H ARG A 65 5.457 12.746 2.386 1.00 1.00 H new ATOM 0 HA ARG A 65 5.693 14.720 0.206 1.00 1.00 H new ATOM 0 HB2 ARG A 65 7.716 14.131 2.223 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.285 13.634 0.642 1.00 1.00 H new ATOM 0 HG2 ARG A 65 8.891 15.987 0.981 1.00 1.00 H new ATOM 0 HG3 ARG A 65 7.672 15.903 -0.275 1.00 1.00 H new ATOM 0 HD2 ARG A 65 6.536 16.140 2.462 1.00 1.00 H new ATOM 0 HD3 ARG A 65 7.525 17.509 1.996 1.00 1.00 H new ATOM 0 HE ARG A 65 5.610 16.675 -0.086 1.00 1.00 H new ATOM 0 HH11 ARG A 65 6.234 18.585 2.793 1.00 1.00 H new ATOM 0 HH12 ARG A 65 4.961 19.760 2.446 1.00 1.00 H new ATOM 0 HH21 ARG A 65 3.982 18.193 -0.523 1.00 1.00 H new ATOM 0 HH22 ARG A 65 3.697 19.539 0.584 1.00 1.00 H new ATOM 943 N ARG A 66 5.163 12.526 -0.974 1.00 1.00 N ATOM 944 CA ARG A 66 5.082 11.399 -1.892 1.00 1.00 C ATOM 945 C ARG A 66 6.291 11.388 -2.824 1.00 1.00 C ATOM 946 O ARG A 66 6.718 10.334 -3.298 1.00 1.00 O ATOM 947 CB ARG A 66 3.795 11.480 -2.713 1.00 1.00 C ATOM 948 CG ARG A 66 3.375 10.070 -3.137 1.00 1.00 C ATOM 949 CD ARG A 66 2.209 10.156 -4.121 1.00 1.00 C ATOM 950 NE ARG A 66 1.454 8.908 -4.115 1.00 1.00 N ATOM 951 CZ ARG A 66 0.499 8.684 -3.218 1.00 1.00 C ATOM 952 NH1 ARG A 66 0.206 9.598 -2.335 1.00 1.00 N ATOM 953 NH2 ARG A 66 -0.148 7.550 -3.223 1.00 1.00 N ATOM 0 H ARG A 66 4.390 13.187 -1.045 1.00 1.00 H new ATOM 0 HA ARG A 66 5.076 10.477 -1.311 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.004 11.946 -2.125 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.950 12.105 -3.592 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.216 9.553 -3.599 1.00 1.00 H new ATOM 0 HG3 ARG A 66 3.084 9.488 -2.263 1.00 1.00 H new ATOM 0 HD2 ARG A 66 1.556 10.986 -3.851 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.584 10.358 -5.124 1.00 1.00 H new ATOM 0 HE ARG A 66 1.663 8.194 -4.812 1.00 1.00 H new ATOM 0 HH11 ARG A 66 0.710 10.485 -2.333 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -0.527 9.426 -1.647 1.00 1.00 H new ATOM 0 HH21 ARG A 66 0.079 6.836 -3.915 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -0.881 7.378 -2.535 1.00 1.00 H new ATOM 967 N ASP A 67 6.819 12.577 -3.100 1.00 1.00 N ATOM 968 CA ASP A 67 7.962 12.714 -4.000 1.00 1.00 C ATOM 969 C ASP A 67 9.165 11.907 -3.517 1.00 1.00 C ATOM 970 O ASP A 67 9.801 11.200 -4.300 1.00 1.00 O ATOM 971 CB ASP A 67 8.355 14.188 -4.113 1.00 1.00 C ATOM 972 CG ASP A 67 8.114 14.684 -5.534 1.00 1.00 C ATOM 973 OD1 ASP A 67 7.020 14.487 -6.034 1.00 1.00 O ATOM 974 OD2 ASP A 67 9.031 15.253 -6.105 1.00 1.00 O ATOM 0 H ASP A 67 6.476 13.457 -2.715 1.00 1.00 H new ATOM 0 HA ASP A 67 7.664 12.327 -4.974 1.00 1.00 H new ATOM 0 HB2 ASP A 67 7.774 14.783 -3.408 1.00 1.00 H new ATOM 0 HB3 ASP A 67 9.405 14.314 -3.848 1.00 1.00 H new ATOM 979 N ARG A 68 9.480 12.017 -2.231 1.00 1.00 N ATOM 980 CA ARG A 68 10.619 11.293 -1.679 1.00 1.00 C ATOM 981 C ARG A 68 10.321 9.798 -1.611 1.00 1.00 C ATOM 982 O ARG A 68 11.201 8.968 -1.836 1.00 1.00 O ATOM 983 CB ARG A 68 10.961 11.847 -0.289 1.00 1.00 C ATOM 984 CG ARG A 68 10.206 11.080 0.801 1.00 1.00 C ATOM 985 CD ARG A 68 10.264 11.857 2.119 1.00 1.00 C ATOM 986 NE ARG A 68 11.270 12.912 2.057 1.00 1.00 N ATOM 987 CZ ARG A 68 11.155 14.012 2.794 1.00 1.00 C ATOM 988 NH1 ARG A 68 10.140 14.153 3.603 1.00 1.00 N ATOM 989 NH2 ARG A 68 12.056 14.951 2.709 1.00 1.00 N ATOM 0 H ARG A 68 8.971 12.592 -1.560 1.00 1.00 H new ATOM 0 HA ARG A 68 11.480 11.433 -2.332 1.00 1.00 H new ATOM 0 HB2 ARG A 68 12.035 11.772 -0.116 1.00 1.00 H new ATOM 0 HB3 ARG A 68 10.704 12.905 -0.240 1.00 1.00 H new ATOM 0 HG2 ARG A 68 9.169 10.932 0.501 1.00 1.00 H new ATOM 0 HG3 ARG A 68 10.645 10.091 0.932 1.00 1.00 H new ATOM 0 HD2 ARG A 68 9.288 12.292 2.333 1.00 1.00 H new ATOM 0 HD3 ARG A 68 10.496 11.176 2.938 1.00 1.00 H new ATOM 0 HE ARG A 68 12.074 12.804 1.439 1.00 1.00 H new ATOM 0 HH11 ARG A 68 9.435 13.419 3.670 1.00 1.00 H new ATOM 0 HH12 ARG A 68 10.052 14.997 4.169 1.00 1.00 H new ATOM 0 HH21 ARG A 68 12.849 14.841 2.077 1.00 1.00 H new ATOM 0 HH22 ARG A 68 11.968 15.795 3.275 1.00 1.00 H new ATOM 1003 N ALA A 69 9.075 9.464 -1.303 1.00 1.00 N ATOM 1004 CA ALA A 69 8.662 8.069 -1.210 1.00 1.00 C ATOM 1005 C ALA A 69 8.801 7.379 -2.560 1.00 1.00 C ATOM 1006 O ALA A 69 9.032 6.171 -2.631 1.00 1.00 O ATOM 1007 CB ALA A 69 7.204 7.989 -0.758 1.00 1.00 C ATOM 0 H ALA A 69 8.333 10.138 -1.113 1.00 1.00 H new ATOM 0 HA ALA A 69 9.304 7.569 -0.485 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.901 6.944 -0.690 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.099 8.461 0.219 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.570 8.505 -1.480 1.00 1.00 H new ATOM 1013 N GLN A 70 8.645 8.151 -3.627 1.00 1.00 N ATOM 1014 CA GLN A 70 8.741 7.604 -4.972 1.00 1.00 C ATOM 1015 C GLN A 70 10.182 7.231 -5.304 1.00 1.00 C ATOM 1016 O GLN A 70 10.434 6.250 -6.003 1.00 1.00 O ATOM 1017 CB GLN A 70 8.228 8.631 -5.987 1.00 1.00 C ATOM 1018 CG GLN A 70 7.896 7.933 -7.306 1.00 1.00 C ATOM 1019 CD GLN A 70 8.460 8.734 -8.476 1.00 1.00 C ATOM 1020 OE1 GLN A 70 7.731 9.070 -9.409 1.00 1.00 O ATOM 1021 NE2 GLN A 70 9.723 9.060 -8.481 1.00 1.00 N ATOM 0 H GLN A 70 8.453 9.152 -3.587 1.00 1.00 H new ATOM 0 HA GLN A 70 8.129 6.703 -5.022 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.342 9.131 -5.596 1.00 1.00 H new ATOM 0 HB3 GLN A 70 8.982 9.401 -6.152 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.313 6.926 -7.309 1.00 1.00 H new ATOM 0 HG3 GLN A 70 6.816 7.831 -7.411 1.00 1.00 H new ATOM 0 HE21 GLN A 70 10.325 8.780 -7.707 1.00 1.00 H new ATOM 0 HE22 GLN A 70 10.109 9.595 -9.259 1.00 1.00 H new ATOM 1030 N ALA A 71 11.127 8.021 -4.802 1.00 1.00 N ATOM 1031 CA ALA A 71 12.539 7.763 -5.058 1.00 1.00 C ATOM 1032 C ALA A 71 13.010 6.521 -4.301 1.00 1.00 C ATOM 1033 O ALA A 71 13.817 5.744 -4.810 1.00 1.00 O ATOM 1034 CB ALA A 71 13.375 8.973 -4.640 1.00 1.00 C ATOM 0 H ALA A 71 10.942 8.838 -4.220 1.00 1.00 H new ATOM 0 HA ALA A 71 12.667 7.587 -6.126 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.429 8.772 -4.835 1.00 1.00 H new ATOM 0 HB2 ALA A 71 13.061 9.847 -5.211 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.232 9.164 -3.576 1.00 1.00 H new ATOM 1040 N VAL A 72 12.500 6.338 -3.085 1.00 1.00 N ATOM 1041 CA VAL A 72 12.876 5.179 -2.277 1.00 1.00 C ATOM 1042 C VAL A 72 12.482 3.893 -2.990 1.00 1.00 C ATOM 1043 O VAL A 72 13.271 2.951 -3.095 1.00 1.00 O ATOM 1044 CB VAL A 72 12.175 5.238 -0.919 1.00 1.00 C ATOM 1045 CG1 VAL A 72 12.554 4.007 -0.095 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.608 6.503 -0.174 1.00 1.00 C ATOM 0 H VAL A 72 11.833 6.969 -2.641 1.00 1.00 H new ATOM 0 HA VAL A 72 13.956 5.194 -2.129 1.00 1.00 H new ATOM 0 HB VAL A 72 11.096 5.257 -1.069 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.054 4.049 0.873 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.245 3.106 -0.624 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.634 3.988 0.055 1.00 1.00 H new ATOM 0 HG21 VAL A 72 12.108 6.544 0.794 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.688 6.486 -0.024 1.00 1.00 H new ATOM 0 HG23 VAL A 72 12.337 7.381 -0.760 1.00 1.00 H new ATOM 1056 N GLU A 73 11.253 3.868 -3.478 1.00 1.00 N ATOM 1057 CA GLU A 73 10.736 2.702 -4.186 1.00 1.00 C ATOM 1058 C GLU A 73 11.519 2.465 -5.475 1.00 1.00 C ATOM 1059 O GLU A 73 11.718 1.322 -5.888 1.00 1.00 O ATOM 1060 CB GLU A 73 9.257 2.906 -4.520 1.00 1.00 C ATOM 1061 CG GLU A 73 8.396 2.310 -3.406 1.00 1.00 C ATOM 1062 CD GLU A 73 8.429 0.787 -3.478 1.00 1.00 C ATOM 1063 OE1 GLU A 73 8.318 0.261 -4.573 1.00 1.00 O ATOM 1064 OE2 GLU A 73 8.568 0.170 -2.434 1.00 1.00 O ATOM 0 H GLU A 73 10.592 4.641 -3.398 1.00 1.00 H new ATOM 0 HA GLU A 73 10.847 1.831 -3.540 1.00 1.00 H new ATOM 0 HB2 GLU A 73 9.042 3.969 -4.632 1.00 1.00 H new ATOM 0 HB3 GLU A 73 9.019 2.431 -5.472 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.761 2.644 -2.435 1.00 1.00 H new ATOM 0 HG3 GLU A 73 7.369 2.664 -3.500 1.00 1.00 H new ATOM 1071 N THR A 74 11.955 3.550 -6.108 1.00 1.00 N ATOM 1072 CA THR A 74 12.707 3.441 -7.352 1.00 1.00 C ATOM 1073 C THR A 74 14.108 2.901 -7.086 1.00 1.00 C ATOM 1074 O THR A 74 14.711 2.259 -7.945 1.00 1.00 O ATOM 1075 CB THR A 74 12.804 4.811 -8.025 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.529 5.438 -8.002 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.267 4.640 -9.473 1.00 1.00 C ATOM 0 H THR A 74 11.802 4.505 -5.784 1.00 1.00 H new ATOM 0 HA THR A 74 12.184 2.749 -8.012 1.00 1.00 H new ATOM 0 HB THR A 74 13.523 5.430 -7.489 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.445 5.978 -7.189 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.335 5.617 -9.951 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.245 4.159 -9.488 1.00 1.00 H new ATOM 0 HG23 THR A 74 12.551 4.021 -10.013 1.00 1.00 H new ATOM 1085 N TYR A 75 14.619 3.167 -5.889 1.00 1.00 N ATOM 1086 CA TYR A 75 15.950 2.705 -5.518 1.00 1.00 C ATOM 1087 C TYR A 75 15.982 1.180 -5.435 1.00 1.00 C ATOM 1088 O TYR A 75 16.872 0.537 -5.990 1.00 1.00 O ATOM 1089 CB TYR A 75 16.341 3.310 -4.168 1.00 1.00 C ATOM 1090 CG TYR A 75 17.672 2.757 -3.725 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.741 1.498 -3.115 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.839 3.506 -3.916 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.977 0.989 -2.699 1.00 1.00 C ATOM 1094 CE2 TYR A 75 20.075 2.997 -3.501 1.00 1.00 C ATOM 1095 CZ TYR A 75 20.144 1.739 -2.891 1.00 1.00 C ATOM 1096 OH TYR A 75 21.362 1.237 -2.481 1.00 1.00 O ATOM 0 H TYR A 75 14.135 3.697 -5.164 1.00 1.00 H new ATOM 0 HA TYR A 75 16.661 3.024 -6.280 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.397 4.396 -4.248 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.577 3.084 -3.424 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.841 0.920 -2.966 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.786 4.478 -4.384 1.00 1.00 H new ATOM 0 HE1 TYR A 75 19.031 0.018 -2.230 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.975 3.575 -3.651 1.00 1.00 H new ATOM 0 HH TYR A 75 22.069 1.883 -2.690 1.00 1.00 H new ATOM 1106 N LEU A 76 15.003 0.610 -4.739 1.00 1.00 N ATOM 1107 CA LEU A 76 14.926 -0.842 -4.592 1.00 1.00 C ATOM 1108 C LEU A 76 14.653 -1.513 -5.935 1.00 1.00 C ATOM 1109 O LEU A 76 15.240 -2.548 -6.250 1.00 1.00 O ATOM 1110 CB LEU A 76 13.803 -1.211 -3.622 1.00 1.00 C ATOM 1111 CG LEU A 76 13.945 -2.683 -3.203 1.00 1.00 C ATOM 1112 CD1 LEU A 76 15.195 -2.876 -2.333 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.709 -3.118 -2.409 1.00 1.00 C ATOM 0 H LEU A 76 14.257 1.125 -4.271 1.00 1.00 H new ATOM 0 HA LEU A 76 15.884 -1.190 -4.206 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.842 -0.567 -2.743 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.834 -1.049 -4.094 1.00 1.00 H new ATOM 0 HG LEU A 76 14.039 -3.290 -4.103 1.00 1.00 H new ATOM 0 HD11 LEU A 76 15.280 -3.924 -2.045 1.00 1.00 H new ATOM 0 HD12 LEU A 76 16.080 -2.582 -2.897 1.00 1.00 H new ATOM 0 HD13 LEU A 76 15.114 -2.260 -1.438 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.815 -4.162 -2.114 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.612 -2.498 -1.518 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.820 -3.004 -3.029 1.00 1.00 H new ATOM 1125 N LYS A 77 13.755 -0.923 -6.716 1.00 1.00 N ATOM 1126 CA LYS A 77 13.409 -1.477 -8.013 1.00 1.00 C ATOM 1127 C LYS A 77 14.655 -1.586 -8.885 1.00 1.00 C ATOM 1128 O LYS A 77 14.836 -2.563 -9.610 1.00 1.00 O ATOM 1129 CB LYS A 77 12.353 -0.578 -8.677 1.00 1.00 C ATOM 1130 CG LYS A 77 12.585 -0.499 -10.185 1.00 1.00 C ATOM 1131 CD LYS A 77 11.368 0.145 -10.857 1.00 1.00 C ATOM 1132 CE LYS A 77 11.239 1.607 -10.423 1.00 1.00 C ATOM 1133 NZ LYS A 77 10.385 1.689 -9.203 1.00 1.00 N ATOM 0 H LYS A 77 13.258 -0.066 -6.473 1.00 1.00 H new ATOM 0 HA LYS A 77 12.996 -2.478 -7.889 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.356 -0.970 -8.477 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.395 0.422 -8.244 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.481 0.085 -10.396 1.00 1.00 H new ATOM 0 HG3 LYS A 77 12.752 -1.497 -10.591 1.00 1.00 H new ATOM 0 HD2 LYS A 77 11.468 0.087 -11.941 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.464 -0.402 -10.591 1.00 1.00 H new ATOM 0 HE2 LYS A 77 12.225 2.025 -10.219 1.00 1.00 H new ATOM 0 HE3 LYS A 77 10.802 2.199 -11.227 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 10.031 2.661 -9.091 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 9.581 1.037 -9.298 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 10.947 1.427 -8.368 1.00 1.00 H new ATOM 1147 N LYS A 78 15.510 -0.575 -8.802 1.00 1.00 N ATOM 1148 CA LYS A 78 16.739 -0.563 -9.582 1.00 1.00 C ATOM 1149 C LYS A 78 17.651 -1.706 -9.147 1.00 1.00 C ATOM 1150 O LYS A 78 18.275 -2.367 -9.978 1.00 1.00 O ATOM 1151 CB LYS A 78 17.457 0.774 -9.388 1.00 1.00 C ATOM 1152 CG LYS A 78 16.859 1.816 -10.333 1.00 1.00 C ATOM 1153 CD LYS A 78 17.587 1.768 -11.677 1.00 1.00 C ATOM 1154 CE LYS A 78 18.794 2.705 -11.640 1.00 1.00 C ATOM 1155 NZ LYS A 78 18.322 4.118 -11.605 1.00 1.00 N ATOM 0 H LYS A 78 15.376 0.242 -8.206 1.00 1.00 H new ATOM 0 HA LYS A 78 16.491 -0.692 -10.636 1.00 1.00 H new ATOM 0 HB2 LYS A 78 17.358 1.106 -8.354 1.00 1.00 H new ATOM 0 HB3 LYS A 78 18.523 0.658 -9.585 1.00 1.00 H new ATOM 0 HG2 LYS A 78 15.796 1.623 -10.477 1.00 1.00 H new ATOM 0 HG3 LYS A 78 16.947 2.811 -9.896 1.00 1.00 H new ATOM 0 HD2 LYS A 78 17.911 0.749 -11.890 1.00 1.00 H new ATOM 0 HD3 LYS A 78 16.910 2.062 -12.479 1.00 1.00 H new ATOM 0 HE2 LYS A 78 19.407 2.493 -10.764 1.00 1.00 H new ATOM 0 HE3 LYS A 78 19.422 2.541 -12.515 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 19.037 4.734 -12.042 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 17.428 4.199 -12.130 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 18.171 4.409 -10.618 1.00 1.00 H new ATOM 1169 N LEU A 79 17.712 -1.935 -7.840 1.00 1.00 N ATOM 1170 CA LEU A 79 18.541 -3.007 -7.298 1.00 1.00 C ATOM 1171 C LEU A 79 17.967 -4.373 -7.666 1.00 1.00 C ATOM 1172 O LEU A 79 18.691 -5.261 -8.118 1.00 1.00 O ATOM 1173 CB LEU A 79 18.627 -2.880 -5.775 1.00 1.00 C ATOM 1174 CG LEU A 79 19.979 -2.276 -5.385 1.00 1.00 C ATOM 1175 CD1 LEU A 79 20.131 -0.899 -6.033 1.00 1.00 C ATOM 1176 CD2 LEU A 79 20.058 -2.134 -3.863 1.00 1.00 C ATOM 0 H LEU A 79 17.201 -1.397 -7.140 1.00 1.00 H new ATOM 0 HA LEU A 79 19.539 -2.920 -7.728 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.817 -2.251 -5.406 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.507 -3.859 -5.311 1.00 1.00 H new ATOM 0 HG LEU A 79 20.779 -2.931 -5.730 1.00 1.00 H new ATOM 0 HD11 LEU A 79 21.094 -0.470 -5.755 1.00 1.00 H new ATOM 0 HD12 LEU A 79 20.078 -0.999 -7.117 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.330 -0.245 -5.690 1.00 1.00 H new ATOM 0 HD21 LEU A 79 21.021 -1.704 -3.587 1.00 1.00 H new ATOM 0 HD22 LEU A 79 19.257 -1.482 -3.516 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.953 -3.115 -3.400 1.00 1.00 H new ATOM 1188 N ILE A 80 16.662 -4.535 -7.465 1.00 1.00 N ATOM 1189 CA ILE A 80 15.999 -5.799 -7.776 1.00 1.00 C ATOM 1190 C ILE A 80 15.951 -6.033 -9.283 1.00 1.00 C ATOM 1191 O ILE A 80 16.215 -7.139 -9.759 1.00 1.00 O ATOM 1192 CB ILE A 80 14.575 -5.797 -7.216 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.624 -6.005 -5.698 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.775 -6.931 -7.862 1.00 1.00 C ATOM 1195 CD1 ILE A 80 13.242 -5.743 -5.094 1.00 1.00 C ATOM 0 H ILE A 80 16.046 -3.813 -7.091 1.00 1.00 H new ATOM 0 HA ILE A 80 16.572 -6.603 -7.315 1.00 1.00 H new ATOM 0 HB ILE A 80 14.097 -4.843 -7.436 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.943 -7.022 -5.471 1.00 1.00 H new ATOM 0 HG13 ILE A 80 15.359 -5.334 -5.253 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.760 -6.932 -7.465 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.742 -6.784 -8.942 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.252 -7.885 -7.640 1.00 1.00 H new ATOM 0 HD11 ILE A 80 13.282 -5.892 -4.015 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.940 -4.718 -5.308 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.518 -6.432 -5.529 1.00 1.00 H new ATOM 1207 N ALA A 81 15.605 -4.989 -10.028 1.00 1.00 N ATOM 1208 CA ALA A 81 15.516 -5.091 -11.480 1.00 1.00 C ATOM 1209 C ALA A 81 16.891 -5.337 -12.093 1.00 1.00 C ATOM 1210 O ALA A 81 17.003 -5.894 -13.184 1.00 1.00 O ATOM 1211 CB ALA A 81 14.922 -3.806 -12.058 1.00 1.00 C ATOM 0 H ALA A 81 15.383 -4.067 -9.653 1.00 1.00 H new ATOM 0 HA ALA A 81 14.870 -5.934 -11.723 1.00 1.00 H new ATOM 0 HB1 ALA A 81 14.859 -3.890 -13.143 1.00 1.00 H new ATOM 0 HB2 ALA A 81 13.924 -3.650 -11.648 1.00 1.00 H new ATOM 0 HB3 ALA A 81 15.559 -2.961 -11.796 1.00 1.00 H new ATOM 1217 N THR A 82 17.934 -4.917 -11.387 1.00 1.00 N ATOM 1218 CA THR A 82 19.295 -5.100 -11.878 1.00 1.00 C ATOM 1219 C THR A 82 19.751 -6.539 -11.669 1.00 1.00 C ATOM 1220 O THR A 82 19.829 -7.319 -12.618 1.00 1.00 O ATOM 1221 CB THR A 82 20.249 -4.147 -11.152 1.00 1.00 C ATOM 1222 OG1 THR A 82 19.895 -4.084 -9.777 1.00 1.00 O ATOM 1223 CG2 THR A 82 20.151 -2.754 -11.772 1.00 1.00 C ATOM 0 H THR A 82 17.866 -4.452 -10.482 1.00 1.00 H new ATOM 0 HA THR A 82 19.307 -4.879 -12.945 1.00 1.00 H new ATOM 0 HB THR A 82 21.272 -4.512 -11.248 1.00 1.00 H new ATOM 0 HG1 THR A 82 19.369 -3.274 -9.611 1.00 1.00 H new ATOM 0 HG21 THR A 82 20.830 -2.077 -11.254 1.00 1.00 H new ATOM 0 HG22 THR A 82 20.423 -2.805 -12.826 1.00 1.00 H new ATOM 0 HG23 THR A 82 19.130 -2.385 -11.678 1.00 1.00 H new ATOM 1231 N ASN A 83 20.052 -6.885 -10.420 1.00 1.00 N ATOM 1232 CA ASN A 83 20.502 -8.237 -10.095 1.00 1.00 C ATOM 1233 C ASN A 83 21.029 -8.304 -8.662 1.00 1.00 C ATOM 1234 O ASN A 83 21.115 -9.382 -8.074 1.00 1.00 O ATOM 1235 CB ASN A 83 21.617 -8.669 -11.058 1.00 1.00 C ATOM 1236 CG ASN A 83 22.455 -7.460 -11.462 1.00 1.00 C ATOM 1237 OD1 ASN A 83 23.015 -7.429 -12.556 1.00 1.00 O ATOM 1238 ND2 ASN A 83 22.583 -6.462 -10.630 1.00 1.00 N ATOM 0 H ASN A 83 19.993 -6.254 -9.621 1.00 1.00 H new ATOM 0 HA ASN A 83 19.649 -8.908 -10.193 1.00 1.00 H new ATOM 0 HB2 ASN A 83 22.250 -9.418 -10.582 1.00 1.00 H new ATOM 0 HB3 ASN A 83 21.184 -9.134 -11.944 1.00 1.00 H new ATOM 0 HD21 ASN A 83 23.149 -5.653 -10.887 1.00 1.00 H new ATOM 0 HD22 ASN A 83 22.117 -6.491 -9.723 1.00 1.00 H new ATOM 1245 N ASN A 84 21.387 -7.150 -8.109 1.00 1.00 N ATOM 1246 CA ASN A 84 21.913 -7.096 -6.749 1.00 1.00 C ATOM 1247 C ASN A 84 20.978 -7.810 -5.776 1.00 1.00 C ATOM 1248 O ASN A 84 21.426 -8.308 -4.744 1.00 1.00 O ATOM 1249 CB ASN A 84 22.085 -5.641 -6.315 1.00 1.00 C ATOM 1250 CG ASN A 84 23.233 -4.998 -7.085 1.00 1.00 C ATOM 1251 OD1 ASN A 84 23.707 -3.924 -6.711 1.00 1.00 O ATOM 1252 ND2 ASN A 84 23.711 -5.591 -8.144 1.00 1.00 N ATOM 0 H ASN A 84 21.324 -6.246 -8.577 1.00 1.00 H new ATOM 0 HA ASN A 84 22.880 -7.599 -6.737 1.00 1.00 H new ATOM 0 HB2 ASN A 84 21.162 -5.089 -6.493 1.00 1.00 H new ATOM 0 HB3 ASN A 84 22.283 -5.594 -5.244 1.00 1.00 H new ATOM 0 HD21 ASN A 84 24.479 -5.166 -8.664 1.00 1.00 H new ATOM 0 HD22 ASN A 84 23.317 -6.480 -8.452 1.00 1.00 H new ATOM 1259 N VAL A 85 19.688 -7.855 -6.132 1.00 1.00 N ATOM 1260 CA VAL A 85 18.654 -8.507 -5.315 1.00 1.00 C ATOM 1261 C VAL A 85 19.121 -8.730 -3.876 1.00 1.00 C ATOM 1262 O VAL A 85 19.665 -7.823 -3.248 1.00 1.00 O ATOM 1263 CB VAL A 85 18.267 -9.850 -5.941 1.00 1.00 C ATOM 1264 CG1 VAL A 85 16.967 -10.355 -5.313 1.00 1.00 C ATOM 1265 CG2 VAL A 85 18.061 -9.671 -7.448 1.00 1.00 C ATOM 0 H VAL A 85 19.331 -7.441 -6.993 1.00 1.00 H new ATOM 0 HA VAL A 85 17.789 -7.844 -5.288 1.00 1.00 H new ATOM 0 HB VAL A 85 19.063 -10.572 -5.762 1.00 1.00 H new ATOM 0 HG11 VAL A 85 16.694 -11.311 -5.760 1.00 1.00 H new ATOM 0 HG12 VAL A 85 17.107 -10.484 -4.240 1.00 1.00 H new ATOM 0 HG13 VAL A 85 16.172 -9.631 -5.491 1.00 1.00 H new ATOM 0 HG21 VAL A 85 17.786 -10.627 -7.894 1.00 1.00 H new ATOM 0 HG22 VAL A 85 17.266 -8.946 -7.623 1.00 1.00 H new ATOM 0 HG23 VAL A 85 18.985 -9.312 -7.901 1.00 1.00 H new ATOM 1275 N THR A 86 18.911 -9.947 -3.373 1.00 1.00 N ATOM 1276 CA THR A 86 19.317 -10.300 -2.013 1.00 1.00 C ATOM 1277 C THR A 86 19.176 -9.112 -1.068 1.00 1.00 C ATOM 1278 O THR A 86 20.151 -8.681 -0.450 1.00 1.00 O ATOM 1279 CB THR A 86 20.770 -10.780 -2.013 1.00 1.00 C ATOM 1280 OG1 THR A 86 21.623 -9.699 -2.368 1.00 1.00 O ATOM 1281 CG2 THR A 86 20.935 -11.914 -3.024 1.00 1.00 C ATOM 0 H THR A 86 18.462 -10.705 -3.887 1.00 1.00 H new ATOM 0 HA THR A 86 18.663 -11.098 -1.663 1.00 1.00 H new ATOM 0 HB THR A 86 21.034 -11.142 -1.019 1.00 1.00 H new ATOM 0 HG1 THR A 86 21.527 -8.978 -1.712 1.00 1.00 H new ATOM 0 HG21 THR A 86 21.970 -12.255 -3.023 1.00 1.00 H new ATOM 0 HG22 THR A 86 20.280 -12.742 -2.752 1.00 1.00 H new ATOM 0 HG23 THR A 86 20.672 -11.555 -4.019 1.00 1.00 H new ATOM 1289 N HIS A 87 17.963 -8.579 -0.961 1.00 1.00 N ATOM 1290 CA HIS A 87 17.725 -7.437 -0.088 1.00 1.00 C ATOM 1291 C HIS A 87 16.325 -7.491 0.514 1.00 1.00 C ATOM 1292 O HIS A 87 15.409 -8.076 -0.063 1.00 1.00 O ATOM 1293 CB HIS A 87 17.891 -6.137 -0.875 1.00 1.00 C ATOM 1294 CG HIS A 87 18.485 -5.081 0.013 1.00 1.00 C ATOM 1295 ND1 HIS A 87 19.822 -5.088 0.381 1.00 1.00 N ATOM 1296 CD2 HIS A 87 17.939 -3.971 0.611 1.00 1.00 C ATOM 1297 CE1 HIS A 87 20.034 -4.016 1.166 1.00 1.00 C ATOM 1298 NE2 HIS A 87 18.919 -3.301 1.339 1.00 1.00 N ATOM 0 H HIS A 87 17.140 -8.915 -1.461 1.00 1.00 H new ATOM 0 HA HIS A 87 18.453 -7.472 0.722 1.00 1.00 H new ATOM 0 HB2 HIS A 87 18.534 -6.303 -1.739 1.00 1.00 H new ATOM 0 HB3 HIS A 87 16.925 -5.805 -1.256 1.00 1.00 H new ATOM 0 HD2 HIS A 87 16.907 -3.665 0.529 1.00 1.00 H new ATOM 0 HE1 HIS A 87 20.989 -3.764 1.603 1.00 1.00 H new ATOM 0 HE2 HIS A 87 18.809 -2.448 1.887 1.00 1.00 H new ATOM 1306 N LYS A 88 16.170 -6.867 1.677 1.00 1.00 N ATOM 1307 CA LYS A 88 14.883 -6.833 2.358 1.00 1.00 C ATOM 1308 C LYS A 88 14.705 -5.491 3.060 1.00 1.00 C ATOM 1309 O LYS A 88 14.932 -5.371 4.263 1.00 1.00 O ATOM 1310 CB LYS A 88 14.800 -7.966 3.384 1.00 1.00 C ATOM 1311 CG LYS A 88 14.107 -9.175 2.754 1.00 1.00 C ATOM 1312 CD LYS A 88 14.330 -10.408 3.631 1.00 1.00 C ATOM 1313 CE LYS A 88 13.843 -10.119 5.051 1.00 1.00 C ATOM 1314 NZ LYS A 88 13.476 -11.399 5.720 1.00 1.00 N ATOM 0 H LYS A 88 16.920 -6.379 2.167 1.00 1.00 H new ATOM 0 HA LYS A 88 14.091 -6.963 1.621 1.00 1.00 H new ATOM 0 HB2 LYS A 88 15.800 -8.241 3.720 1.00 1.00 H new ATOM 0 HB3 LYS A 88 14.248 -7.635 4.264 1.00 1.00 H new ATOM 0 HG2 LYS A 88 13.040 -8.980 2.647 1.00 1.00 H new ATOM 0 HG3 LYS A 88 14.501 -9.352 1.753 1.00 1.00 H new ATOM 0 HD2 LYS A 88 13.794 -11.263 3.218 1.00 1.00 H new ATOM 0 HD3 LYS A 88 15.388 -10.671 3.644 1.00 1.00 H new ATOM 0 HE2 LYS A 88 14.623 -9.610 5.618 1.00 1.00 H new ATOM 0 HE3 LYS A 88 12.982 -9.451 5.023 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 13.145 -11.203 6.686 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 12.719 -11.867 5.182 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 14.308 -12.021 5.759 1.00 1.00 H new ATOM 1328 N ILE A 89 14.313 -4.480 2.292 1.00 1.00 N ATOM 1329 CA ILE A 89 14.122 -3.144 2.842 1.00 1.00 C ATOM 1330 C ILE A 89 13.368 -3.204 4.166 1.00 1.00 C ATOM 1331 O ILE A 89 12.516 -4.066 4.375 1.00 1.00 O ATOM 1332 CB ILE A 89 13.376 -2.261 1.824 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.397 -1.353 1.125 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.311 -1.398 2.520 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.719 -0.556 0.012 1.00 1.00 C ATOM 0 H ILE A 89 14.122 -4.560 1.293 1.00 1.00 H new ATOM 0 HA ILE A 89 15.099 -2.703 3.038 1.00 1.00 H new ATOM 0 HB ILE A 89 12.872 -2.900 1.099 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.845 -0.672 1.849 1.00 1.00 H new ATOM 0 HG13 ILE A 89 15.206 -1.955 0.711 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.799 -0.784 1.779 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.588 -2.044 3.018 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.790 -0.753 3.257 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.454 0.084 -0.476 1.00 1.00 H new ATOM 0 HD12 ILE A 89 13.293 -1.243 -0.719 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.926 0.060 0.437 1.00 1.00 H new ATOM 1347 N THR A 90 13.686 -2.264 5.048 1.00 1.00 N ATOM 1348 CA THR A 90 13.040 -2.184 6.349 1.00 1.00 C ATOM 1349 C THR A 90 12.786 -0.723 6.707 1.00 1.00 C ATOM 1350 O THR A 90 13.081 0.176 5.921 1.00 1.00 O ATOM 1351 CB THR A 90 13.923 -2.832 7.417 1.00 1.00 C ATOM 1352 OG1 THR A 90 14.948 -1.924 7.796 1.00 1.00 O ATOM 1353 CG2 THR A 90 14.551 -4.108 6.856 1.00 1.00 C ATOM 0 H THR A 90 14.390 -1.545 4.883 1.00 1.00 H new ATOM 0 HA THR A 90 12.090 -2.717 6.306 1.00 1.00 H new ATOM 0 HB THR A 90 13.317 -3.081 8.288 1.00 1.00 H new ATOM 0 HG1 THR A 90 15.514 -2.337 8.481 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.180 -4.569 7.617 1.00 1.00 H new ATOM 0 HG22 THR A 90 13.764 -4.804 6.566 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.158 -3.862 5.984 1.00 1.00 H new ATOM 1361 N GLU A 91 12.242 -0.491 7.894 1.00 1.00 N ATOM 1362 CA GLU A 91 11.959 0.870 8.338 1.00 1.00 C ATOM 1363 C GLU A 91 13.248 1.675 8.417 1.00 1.00 C ATOM 1364 O GLU A 91 13.251 2.891 8.229 1.00 1.00 O ATOM 1365 CB GLU A 91 11.286 0.841 9.714 1.00 1.00 C ATOM 1366 CG GLU A 91 12.310 0.456 10.783 1.00 1.00 C ATOM 1367 CD GLU A 91 12.995 1.706 11.325 1.00 1.00 C ATOM 1368 OE1 GLU A 91 12.292 2.652 11.643 1.00 1.00 O ATOM 1369 OE2 GLU A 91 14.211 1.696 11.424 1.00 1.00 O ATOM 0 H GLU A 91 11.989 -1.219 8.562 1.00 1.00 H new ATOM 0 HA GLU A 91 11.289 1.341 7.619 1.00 1.00 H new ATOM 0 HB2 GLU A 91 10.859 1.818 9.941 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.463 0.126 9.712 1.00 1.00 H new ATOM 0 HG2 GLU A 91 11.817 -0.079 11.595 1.00 1.00 H new ATOM 0 HG3 GLU A 91 13.052 -0.221 10.360 1.00 1.00 H new ATOM 1376 N ALA A 92 14.337 0.972 8.705 1.00 1.00 N ATOM 1377 CA ALA A 92 15.651 1.596 8.829 1.00 1.00 C ATOM 1378 C ALA A 92 16.275 1.828 7.459 1.00 1.00 C ATOM 1379 O ALA A 92 17.026 2.782 7.266 1.00 1.00 O ATOM 1380 CB ALA A 92 16.573 0.707 9.666 1.00 1.00 C ATOM 0 H ALA A 92 14.336 -0.036 8.858 1.00 1.00 H new ATOM 0 HA ALA A 92 15.525 2.560 9.321 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.552 1.179 9.754 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.145 0.571 10.659 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.681 -0.264 9.182 1.00 1.00 H new ATOM 1386 N GLU A 93 15.967 0.955 6.516 1.00 1.00 N ATOM 1387 CA GLU A 93 16.508 1.088 5.176 1.00 1.00 C ATOM 1388 C GLU A 93 15.813 2.220 4.415 1.00 1.00 C ATOM 1389 O GLU A 93 16.470 3.018 3.753 1.00 1.00 O ATOM 1390 CB GLU A 93 16.333 -0.224 4.417 1.00 1.00 C ATOM 1391 CG GLU A 93 17.283 -0.256 3.221 1.00 1.00 C ATOM 1392 CD GLU A 93 18.720 -0.441 3.699 1.00 1.00 C ATOM 1393 OE1 GLU A 93 18.945 -1.327 4.506 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.572 0.311 3.257 1.00 1.00 O ATOM 0 H GLU A 93 15.351 0.154 6.652 1.00 1.00 H new ATOM 0 HA GLU A 93 17.568 1.327 5.256 1.00 1.00 H new ATOM 0 HB2 GLU A 93 16.535 -1.067 5.077 1.00 1.00 H new ATOM 0 HB3 GLU A 93 15.302 -0.325 4.078 1.00 1.00 H new ATOM 0 HG2 GLU A 93 17.007 -1.069 2.549 1.00 1.00 H new ATOM 0 HG3 GLU A 93 17.197 0.670 2.653 1.00 1.00 H new ATOM 1401 N ILE A 94 14.482 2.275 4.509 1.00 1.00 N ATOM 1402 CA ILE A 94 13.708 3.307 3.809 1.00 1.00 C ATOM 1403 C ILE A 94 14.062 4.704 4.310 1.00 1.00 C ATOM 1404 O ILE A 94 14.296 5.611 3.511 1.00 1.00 O ATOM 1405 CB ILE A 94 12.211 3.047 4.024 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.703 2.091 2.943 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.423 4.359 3.942 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.474 1.338 3.457 1.00 1.00 C ATOM 0 H ILE A 94 13.920 1.624 5.058 1.00 1.00 H new ATOM 0 HA ILE A 94 13.951 3.259 2.747 1.00 1.00 H new ATOM 0 HB ILE A 94 12.069 2.608 5.011 1.00 1.00 H new ATOM 0 HG12 ILE A 94 11.449 2.648 2.041 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.487 1.384 2.671 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.363 4.157 4.097 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.778 5.045 4.711 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.567 4.809 2.960 1.00 1.00 H new ATOM 0 HD11 ILE A 94 10.115 0.658 2.685 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.742 0.768 4.346 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.688 2.051 3.707 1.00 1.00 H new ATOM 1420 N VAL A 95 14.115 4.877 5.625 1.00 1.00 N ATOM 1421 CA VAL A 95 14.461 6.174 6.184 1.00 1.00 C ATOM 1422 C VAL A 95 15.822 6.604 5.662 1.00 1.00 C ATOM 1423 O VAL A 95 16.055 7.777 5.369 1.00 1.00 O ATOM 1424 CB VAL A 95 14.493 6.112 7.710 1.00 1.00 C ATOM 1425 CG1 VAL A 95 13.082 5.867 8.247 1.00 1.00 C ATOM 1426 CG2 VAL A 95 15.407 4.982 8.155 1.00 1.00 C ATOM 0 H VAL A 95 13.926 4.148 6.313 1.00 1.00 H new ATOM 0 HA VAL A 95 13.705 6.898 5.882 1.00 1.00 H new ATOM 0 HB VAL A 95 14.868 7.058 8.099 1.00 1.00 H new ATOM 0 HG11 VAL A 95 13.110 5.823 9.336 1.00 1.00 H new ATOM 0 HG12 VAL A 95 12.427 6.680 7.933 1.00 1.00 H new ATOM 0 HG13 VAL A 95 12.703 4.923 7.856 1.00 1.00 H new ATOM 0 HG21 VAL A 95 15.429 4.939 9.244 1.00 1.00 H new ATOM 0 HG22 VAL A 95 15.034 4.036 7.762 1.00 1.00 H new ATOM 0 HG23 VAL A 95 16.414 5.159 7.779 1.00 1.00 H new ATOM 1436 N SER A 96 16.722 5.635 5.568 1.00 1.00 N ATOM 1437 CA SER A 96 18.080 5.894 5.100 1.00 1.00 C ATOM 1438 C SER A 96 18.074 6.514 3.709 1.00 1.00 C ATOM 1439 O SER A 96 18.780 7.492 3.457 1.00 1.00 O ATOM 1440 CB SER A 96 18.880 4.592 5.069 1.00 1.00 C ATOM 1441 OG SER A 96 18.966 4.125 3.729 1.00 1.00 O ATOM 0 H SER A 96 16.538 4.661 5.809 1.00 1.00 H new ATOM 0 HA SER A 96 18.544 6.597 5.792 1.00 1.00 H new ATOM 0 HB2 SER A 96 19.879 4.756 5.474 1.00 1.00 H new ATOM 0 HB3 SER A 96 18.400 3.842 5.698 1.00 1.00 H new ATOM 0 HG SER A 96 18.149 3.634 3.500 1.00 1.00 H new ATOM 1447 N ILE A 97 17.275 5.955 2.805 1.00 1.00 N ATOM 1448 CA ILE A 97 17.207 6.494 1.454 1.00 1.00 C ATOM 1449 C ILE A 97 16.534 7.862 1.480 1.00 1.00 C ATOM 1450 O ILE A 97 16.995 8.805 0.836 1.00 1.00 O ATOM 1451 CB ILE A 97 16.441 5.546 0.525 1.00 1.00 C ATOM 1452 CG1 ILE A 97 16.676 4.094 0.963 1.00 1.00 C ATOM 1453 CG2 ILE A 97 16.946 5.747 -0.908 1.00 1.00 C ATOM 1454 CD1 ILE A 97 16.602 3.151 -0.244 1.00 1.00 C ATOM 0 H ILE A 97 16.678 5.146 2.979 1.00 1.00 H new ATOM 0 HA ILE A 97 18.222 6.598 1.070 1.00 1.00 H new ATOM 0 HB ILE A 97 15.373 5.759 0.572 1.00 1.00 H new ATOM 0 HG12 ILE A 97 17.651 4.006 1.442 1.00 1.00 H new ATOM 0 HG13 ILE A 97 15.930 3.806 1.704 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.409 5.078 -1.580 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.776 6.780 -1.212 1.00 1.00 H new ATOM 0 HG23 ILE A 97 18.013 5.526 -0.952 1.00 1.00 H new ATOM 0 HD11 ILE A 97 16.771 2.126 0.085 1.00 1.00 H new ATOM 0 HD12 ILE A 97 15.617 3.227 -0.705 1.00 1.00 H new ATOM 0 HD13 ILE A 97 17.365 3.430 -0.971 1.00 1.00 H new ATOM 1466 N LEU A 98 15.450 7.966 2.243 1.00 1.00 N ATOM 1467 CA LEU A 98 14.731 9.230 2.365 1.00 1.00 C ATOM 1468 C LEU A 98 15.692 10.318 2.834 1.00 1.00 C ATOM 1469 O LEU A 98 15.744 11.406 2.260 1.00 1.00 O ATOM 1470 CB LEU A 98 13.549 9.049 3.344 1.00 1.00 C ATOM 1471 CG LEU A 98 13.444 10.208 4.357 1.00 1.00 C ATOM 1472 CD1 LEU A 98 13.263 11.541 3.626 1.00 1.00 C ATOM 1473 CD2 LEU A 98 12.224 9.968 5.251 1.00 1.00 C ATOM 0 H LEU A 98 15.053 7.197 2.782 1.00 1.00 H new ATOM 0 HA LEU A 98 14.328 9.534 1.399 1.00 1.00 H new ATOM 0 HB2 LEU A 98 12.620 8.978 2.779 1.00 1.00 H new ATOM 0 HB3 LEU A 98 13.667 8.109 3.882 1.00 1.00 H new ATOM 0 HG LEU A 98 14.357 10.248 4.950 1.00 1.00 H new ATOM 0 HD11 LEU A 98 13.191 12.349 4.354 1.00 1.00 H new ATOM 0 HD12 LEU A 98 14.118 11.717 2.973 1.00 1.00 H new ATOM 0 HD13 LEU A 98 12.351 11.508 3.029 1.00 1.00 H new ATOM 0 HD21 LEU A 98 12.137 10.780 5.973 1.00 1.00 H new ATOM 0 HD22 LEU A 98 11.324 9.930 4.637 1.00 1.00 H new ATOM 0 HD23 LEU A 98 12.341 9.023 5.781 1.00 1.00 H new ATOM 1485 N ASN A 99 16.453 10.010 3.878 1.00 1.00 N ATOM 1486 CA ASN A 99 17.416 10.961 4.421 1.00 1.00 C ATOM 1487 C ASN A 99 18.427 11.364 3.351 1.00 1.00 C ATOM 1488 O ASN A 99 18.903 12.499 3.328 1.00 1.00 O ATOM 1489 CB ASN A 99 18.148 10.339 5.610 1.00 1.00 C ATOM 1490 CG ASN A 99 17.633 10.942 6.912 1.00 1.00 C ATOM 1491 OD1 ASN A 99 17.678 12.158 7.094 1.00 1.00 O ATOM 1492 ND2 ASN A 99 17.142 10.158 7.834 1.00 1.00 N ATOM 0 H ASN A 99 16.422 9.114 4.364 1.00 1.00 H new ATOM 0 HA ASN A 99 16.878 11.850 4.751 1.00 1.00 H new ATOM 0 HB2 ASN A 99 17.999 9.259 5.615 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.220 10.512 5.519 1.00 1.00 H new ATOM 0 HD21 ASN A 99 16.795 10.553 8.708 1.00 1.00 H new ATOM 0 HD22 ASN A 99 17.106 9.150 7.680 1.00 1.00 H new ATOM 1499 N GLY A 100 18.749 10.423 2.468 1.00 1.00 N ATOM 1500 CA GLY A 100 19.704 10.687 1.397 1.00 1.00 C ATOM 1501 C GLY A 100 19.033 11.415 0.237 1.00 1.00 C ATOM 1502 O GLY A 100 19.658 12.231 -0.440 1.00 1.00 O ATOM 0 H GLY A 100 18.366 9.478 2.472 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.529 11.287 1.780 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.130 9.748 1.044 1.00 1.00 H new ATOM 1506 N ILE A 101 17.758 11.113 0.014 1.00 1.00 N ATOM 1507 CA ILE A 101 17.011 11.744 -1.069 1.00 1.00 C ATOM 1508 C ILE A 101 16.640 13.177 -0.699 1.00 1.00 C ATOM 1509 O ILE A 101 16.627 14.065 -1.551 1.00 1.00 O ATOM 1510 CB ILE A 101 15.741 10.944 -1.362 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.100 9.717 -2.204 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.747 11.816 -2.132 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.179 8.554 -1.829 1.00 1.00 C ATOM 0 H ILE A 101 17.223 10.441 0.564 1.00 1.00 H new ATOM 0 HA ILE A 101 17.641 11.762 -1.958 1.00 1.00 H new ATOM 0 HB ILE A 101 15.288 10.626 -0.423 1.00 1.00 H new ATOM 0 HG12 ILE A 101 15.998 9.948 -3.264 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.141 9.439 -2.036 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.844 11.242 -2.339 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.492 12.691 -1.535 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.196 12.137 -3.072 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.434 7.680 -2.428 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.303 8.318 -0.772 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.143 8.834 -2.019 1.00 1.00 H new ATOM 1525 N ALA A 102 16.339 13.395 0.578 1.00 1.00 N ATOM 1526 CA ALA A 102 15.971 14.725 1.048 1.00 1.00 C ATOM 1527 C ALA A 102 17.124 15.701 0.845 1.00 1.00 C ATOM 1528 O ALA A 102 16.910 16.901 0.666 1.00 1.00 O ATOM 1529 CB ALA A 102 15.600 14.670 2.532 1.00 1.00 C ATOM 0 H ALA A 102 16.343 12.674 1.300 1.00 1.00 H new ATOM 0 HA ALA A 102 15.112 15.070 0.472 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.326 15.667 2.876 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.756 13.994 2.671 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.453 14.309 3.107 1.00 1.00 H new ATOM 1535 N LYS A 103 18.346 15.181 0.876 1.00 1.00 N ATOM 1536 CA LYS A 103 19.527 16.016 0.694 1.00 1.00 C ATOM 1537 C LYS A 103 19.681 16.413 -0.771 1.00 1.00 C ATOM 1538 O LYS A 103 19.985 17.564 -1.084 1.00 1.00 O ATOM 1539 CB LYS A 103 20.775 15.263 1.154 1.00 1.00 C ATOM 1540 CG LYS A 103 21.798 16.260 1.701 1.00 1.00 C ATOM 1541 CD LYS A 103 21.495 16.547 3.173 1.00 1.00 C ATOM 1542 CE LYS A 103 22.266 15.560 4.055 1.00 1.00 C ATOM 1543 NZ LYS A 103 23.690 15.986 4.146 1.00 1.00 N ATOM 0 H LYS A 103 18.544 14.191 1.024 1.00 1.00 H new ATOM 0 HA LYS A 103 19.407 16.919 1.293 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.512 14.537 1.923 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.204 14.705 0.322 1.00 1.00 H new ATOM 0 HG2 LYS A 103 22.805 15.857 1.598 1.00 1.00 H new ATOM 0 HG3 LYS A 103 21.764 17.185 1.125 1.00 1.00 H new ATOM 0 HD2 LYS A 103 21.778 17.570 3.421 1.00 1.00 H new ATOM 0 HD3 LYS A 103 20.425 16.458 3.359 1.00 1.00 H new ATOM 0 HE2 LYS A 103 21.822 15.521 5.050 1.00 1.00 H new ATOM 0 HE3 LYS A 103 22.201 14.555 3.638 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 24.153 15.483 4.929 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 24.177 15.762 3.255 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 23.736 17.011 4.318 1.00 1.00 H new ATOM 1557 N GLN A 104 19.471 15.452 -1.664 1.00 1.00 N ATOM 1558 CA GLN A 104 19.589 15.713 -3.095 1.00 1.00 C ATOM 1559 C GLN A 104 18.423 16.567 -3.582 1.00 1.00 C ATOM 1560 O GLN A 104 18.621 17.647 -4.137 1.00 1.00 O ATOM 1561 CB GLN A 104 19.615 14.392 -3.866 1.00 1.00 C ATOM 1562 CG GLN A 104 20.854 13.590 -3.463 1.00 1.00 C ATOM 1563 CD GLN A 104 21.876 13.608 -4.596 1.00 1.00 C ATOM 1564 OE1 GLN A 104 21.964 12.655 -5.369 1.00 1.00 O ATOM 1565 NE2 GLN A 104 22.659 14.642 -4.740 1.00 1.00 N ATOM 0 H GLN A 104 19.220 14.492 -1.426 1.00 1.00 H new ATOM 0 HA GLN A 104 20.518 16.254 -3.271 1.00 1.00 H new ATOM 0 HB2 GLN A 104 18.713 13.818 -3.655 1.00 1.00 H new ATOM 0 HB3 GLN A 104 19.627 14.585 -4.939 1.00 1.00 H new ATOM 0 HG2 GLN A 104 21.293 14.012 -2.559 1.00 1.00 H new ATOM 0 HG3 GLN A 104 20.573 12.563 -3.231 1.00 1.00 H new ATOM 0 HE21 GLN A 104 22.585 15.431 -4.098 1.00 1.00 H new ATOM 0 HE22 GLN A 104 23.345 14.661 -5.494 1.00 1.00 H new ATOM 1574 N GLN A 105 17.206 16.074 -3.371 1.00 1.00 N ATOM 1575 CA GLN A 105 16.015 16.802 -3.794 1.00 1.00 C ATOM 1576 C GLN A 105 15.590 17.800 -2.723 1.00 1.00 C ATOM 1577 O GLN A 105 15.900 17.632 -1.544 1.00 1.00 O ATOM 1578 CB GLN A 105 14.873 15.820 -4.062 1.00 1.00 C ATOM 1579 CG GLN A 105 15.275 14.863 -5.186 1.00 1.00 C ATOM 1580 CD GLN A 105 14.702 15.347 -6.513 1.00 1.00 C ATOM 1581 OE1 GLN A 105 15.406 15.980 -7.300 1.00 1.00 O ATOM 1582 NE2 GLN A 105 13.459 15.083 -6.812 1.00 1.00 N ATOM 0 H GLN A 105 17.020 15.181 -2.914 1.00 1.00 H new ATOM 0 HA GLN A 105 16.249 17.346 -4.709 1.00 1.00 H new ATOM 0 HB2 GLN A 105 14.643 15.258 -3.157 1.00 1.00 H new ATOM 0 HB3 GLN A 105 13.969 16.363 -4.339 1.00 1.00 H new ATOM 0 HG2 GLN A 105 16.361 14.801 -5.251 1.00 1.00 H new ATOM 0 HG3 GLN A 105 14.911 13.859 -4.968 1.00 1.00 H new ATOM 0 HE21 GLN A 105 12.878 14.558 -6.158 1.00 1.00 H new ATOM 0 HE22 GLN A 105 13.069 15.401 -7.699 1.00 1.00 H new ATOM 1591 N ASN A 106 14.875 18.841 -3.142 1.00 1.00 N ATOM 1592 CA ASN A 106 14.411 19.862 -2.210 1.00 1.00 C ATOM 1593 C ASN A 106 13.495 20.856 -2.916 1.00 1.00 C ATOM 1594 O ASN A 106 12.767 21.610 -2.271 1.00 1.00 O ATOM 1595 CB ASN A 106 15.608 20.604 -1.610 1.00 1.00 C ATOM 1596 CG ASN A 106 15.241 22.061 -1.354 1.00 1.00 C ATOM 1597 OD1 ASN A 106 14.530 22.365 -0.394 1.00 1.00 O ATOM 1598 ND2 ASN A 106 15.686 22.988 -2.157 1.00 1.00 N ATOM 0 H ASN A 106 14.607 18.998 -4.113 1.00 1.00 H new ATOM 0 HA ASN A 106 13.851 19.373 -1.413 1.00 1.00 H new ATOM 0 HB2 ASN A 106 15.912 20.128 -0.678 1.00 1.00 H new ATOM 0 HB3 ASN A 106 16.459 20.548 -2.289 1.00 1.00 H new ATOM 0 HD21 ASN A 106 15.446 23.965 -1.991 1.00 1.00 H new ATOM 0 HD22 ASN A 106 16.274 22.736 -2.951 1.00 1.00 H new ATOM 1605 N SER A 107 13.536 20.849 -4.244 1.00 1.00 N ATOM 1606 CA SER A 107 12.705 21.754 -5.030 1.00 1.00 C ATOM 1607 C SER A 107 11.261 21.714 -4.543 1.00 1.00 C ATOM 1608 O SER A 107 10.782 22.655 -3.909 1.00 1.00 O ATOM 1609 CB SER A 107 12.759 21.361 -6.506 1.00 1.00 C ATOM 1610 OG SER A 107 13.367 20.083 -6.630 1.00 1.00 O ATOM 0 H SER A 107 14.131 20.231 -4.796 1.00 1.00 H new ATOM 0 HA SER A 107 13.089 22.767 -4.910 1.00 1.00 H new ATOM 0 HB2 SER A 107 11.753 21.340 -6.926 1.00 1.00 H new ATOM 0 HB3 SER A 107 13.325 22.102 -7.071 1.00 1.00 H new ATOM 0 HG SER A 107 13.401 19.827 -7.575 1.00 1.00 H new ATOM 1616 N GLN A 108 10.574 20.619 -4.844 1.00 1.00 N ATOM 1617 CA GLN A 108 9.182 20.461 -4.436 1.00 1.00 C ATOM 1618 C GLN A 108 8.282 21.407 -5.224 1.00 1.00 C ATOM 1619 O GLN A 108 8.585 22.591 -5.370 1.00 1.00 O ATOM 1620 CB GLN A 108 9.040 20.747 -2.939 1.00 1.00 C ATOM 1621 CG GLN A 108 7.838 19.983 -2.385 1.00 1.00 C ATOM 1622 CD GLN A 108 7.484 20.504 -0.996 1.00 1.00 C ATOM 1623 OE1 GLN A 108 6.307 20.642 -0.663 1.00 1.00 O ATOM 1624 NE2 GLN A 108 8.441 20.805 -0.160 1.00 1.00 N ATOM 0 H GLN A 108 10.955 19.830 -5.367 1.00 1.00 H new ATOM 0 HA GLN A 108 8.878 19.434 -4.640 1.00 1.00 H new ATOM 0 HB2 GLN A 108 9.947 20.449 -2.413 1.00 1.00 H new ATOM 0 HB3 GLN A 108 8.912 21.817 -2.773 1.00 1.00 H new ATOM 0 HG2 GLN A 108 6.985 20.097 -3.054 1.00 1.00 H new ATOM 0 HG3 GLN A 108 8.065 18.918 -2.336 1.00 1.00 H new ATOM 0 HE21 GLN A 108 9.416 20.690 -0.438 1.00 1.00 H new ATOM 0 HE22 GLN A 108 8.214 21.155 0.771 1.00 1.00 H new ATOM 1633 N ASN A 109 7.174 20.876 -5.730 1.00 1.00 N ATOM 1634 CA ASN A 109 6.236 21.681 -6.503 1.00 1.00 C ATOM 1635 C ASN A 109 4.798 21.284 -6.184 1.00 1.00 C ATOM 1636 O ASN A 109 4.372 20.167 -6.483 1.00 1.00 O ATOM 1637 CB ASN A 109 6.499 21.498 -7.998 1.00 1.00 C ATOM 1638 CG ASN A 109 7.808 22.177 -8.385 1.00 1.00 C ATOM 1639 OD1 ASN A 109 7.807 23.146 -9.145 1.00 1.00 O ATOM 1640 ND2 ASN A 109 8.934 21.723 -7.904 1.00 1.00 N ATOM 0 H ASN A 109 6.905 19.898 -5.620 1.00 1.00 H new ATOM 0 HA ASN A 109 6.379 22.728 -6.235 1.00 1.00 H new ATOM 0 HB2 ASN A 109 6.545 20.436 -8.240 1.00 1.00 H new ATOM 0 HB3 ASN A 109 5.676 21.921 -8.575 1.00 1.00 H new ATOM 0 HD21 ASN A 109 9.814 22.171 -8.158 1.00 1.00 H new ATOM 0 HD22 ASN A 109 8.933 20.920 -7.275 1.00 1.00 H new ATOM 1647 N ASN A 110 4.055 22.203 -5.577 1.00 1.00 N ATOM 1648 CA ASN A 110 2.666 21.936 -5.224 1.00 1.00 C ATOM 1649 C ASN A 110 1.959 21.195 -6.354 1.00 1.00 C ATOM 1650 O ASN A 110 1.800 21.727 -7.453 1.00 1.00 O ATOM 1651 CB ASN A 110 1.938 23.252 -4.939 1.00 1.00 C ATOM 1652 CG ASN A 110 2.743 24.421 -5.495 1.00 1.00 C ATOM 1653 OD1 ASN A 110 3.445 25.105 -4.748 1.00 1.00 O ATOM 1654 ND2 ASN A 110 2.685 24.695 -6.769 1.00 1.00 N ATOM 0 H ASN A 110 4.388 23.132 -5.321 1.00 1.00 H new ATOM 0 HA ASN A 110 2.651 21.312 -4.331 1.00 1.00 H new ATOM 0 HB2 ASN A 110 0.946 23.234 -5.391 1.00 1.00 H new ATOM 0 HB3 ASN A 110 1.797 23.374 -3.865 1.00 1.00 H new ATOM 0 HD21 ASN A 110 3.221 25.476 -7.148 1.00 1.00 H new ATOM 0 HD22 ASN A 110 2.104 24.128 -7.387 1.00 1.00 H new ATOM 1661 N SER A 111 1.536 19.966 -6.075 1.00 1.00 N ATOM 1662 CA SER A 111 0.847 19.160 -7.078 1.00 1.00 C ATOM 1663 C SER A 111 -0.344 18.437 -6.458 1.00 1.00 C ATOM 1664 O SER A 111 -1.017 18.971 -5.577 1.00 1.00 O ATOM 1665 CB SER A 111 1.811 18.139 -7.680 1.00 1.00 C ATOM 1666 OG SER A 111 3.056 18.770 -7.949 1.00 1.00 O ATOM 0 H SER A 111 1.656 19.509 -5.171 1.00 1.00 H new ATOM 0 HA SER A 111 0.485 19.823 -7.864 1.00 1.00 H new ATOM 0 HB2 SER A 111 1.954 17.306 -6.991 1.00 1.00 H new ATOM 0 HB3 SER A 111 1.394 17.725 -8.598 1.00 1.00 H new ATOM 0 HG SER A 111 3.519 18.954 -7.105 1.00 1.00 H new ATOM 1672 N LYS A 112 -0.596 17.217 -6.924 1.00 1.00 N ATOM 1673 CA LYS A 112 -1.709 16.427 -6.409 1.00 1.00 C ATOM 1674 C LYS A 112 -1.436 15.990 -4.973 1.00 1.00 C ATOM 1675 O LYS A 112 -2.289 15.380 -4.328 1.00 1.00 O ATOM 1676 CB LYS A 112 -1.926 15.195 -7.288 1.00 1.00 C ATOM 1677 CG LYS A 112 -1.894 15.607 -8.761 1.00 1.00 C ATOM 1678 CD LYS A 112 -2.493 14.488 -9.617 1.00 1.00 C ATOM 1679 CE LYS A 112 -3.992 14.733 -9.801 1.00 1.00 C ATOM 1680 NZ LYS A 112 -4.200 16.022 -10.518 1.00 1.00 N ATOM 0 H LYS A 112 -0.049 16.757 -7.652 1.00 1.00 H new ATOM 0 HA LYS A 112 -2.607 17.045 -6.424 1.00 1.00 H new ATOM 0 HB2 LYS A 112 -1.152 14.453 -7.090 1.00 1.00 H new ATOM 0 HB3 LYS A 112 -2.882 14.729 -7.050 1.00 1.00 H new ATOM 0 HG2 LYS A 112 -2.457 16.530 -8.904 1.00 1.00 H new ATOM 0 HG3 LYS A 112 -0.869 15.808 -9.071 1.00 1.00 H new ATOM 0 HD2 LYS A 112 -1.998 14.453 -10.587 1.00 1.00 H new ATOM 0 HD3 LYS A 112 -2.327 13.522 -9.140 1.00 1.00 H new ATOM 0 HE2 LYS A 112 -4.439 13.914 -10.365 1.00 1.00 H new ATOM 0 HE3 LYS A 112 -4.489 14.760 -8.831 1.00 1.00 H new ATOM 0 HZ1 LYS A 112 -5.007 15.931 -11.168 1.00 1.00 H new ATOM 0 HZ2 LYS A 112 -4.395 16.776 -9.828 1.00 1.00 H new ATOM 0 HZ3 LYS A 112 -3.344 16.260 -11.059 1.00 1.00 H new ATOM 1694 N ILE A 113 -0.243 16.305 -4.480 1.00 1.00 N ATOM 1695 CA ILE A 113 0.131 15.939 -3.119 1.00 1.00 C ATOM 1696 C ILE A 113 -0.688 16.733 -2.107 1.00 1.00 C ATOM 1697 O ILE A 113 -0.623 16.477 -0.904 1.00 1.00 O ATOM 1698 CB ILE A 113 1.620 16.206 -2.896 1.00 1.00 C ATOM 1699 CG1 ILE A 113 2.442 15.343 -3.856 1.00 1.00 C ATOM 1700 CG2 ILE A 113 1.991 15.858 -1.453 1.00 1.00 C ATOM 1701 CD1 ILE A 113 3.896 15.820 -3.855 1.00 1.00 C ATOM 0 H ILE A 113 0.477 16.809 -4.998 1.00 1.00 H new ATOM 0 HA ILE A 113 -0.071 14.877 -2.980 1.00 1.00 H new ATOM 0 HB ILE A 113 1.832 17.259 -3.081 1.00 1.00 H new ATOM 0 HG12 ILE A 113 2.391 14.297 -3.555 1.00 1.00 H new ATOM 0 HG13 ILE A 113 2.028 15.405 -4.863 1.00 1.00 H new ATOM 0 HG21 ILE A 113 3.052 16.048 -1.294 1.00 1.00 H new ATOM 0 HG22 ILE A 113 1.406 16.472 -0.769 1.00 1.00 H new ATOM 0 HG23 ILE A 113 1.779 14.805 -1.267 1.00 1.00 H new ATOM 0 HD11 ILE A 113 4.481 15.205 -4.539 1.00 1.00 H new ATOM 0 HD12 ILE A 113 3.938 16.861 -4.177 1.00 1.00 H new ATOM 0 HD13 ILE A 113 4.306 15.735 -2.849 1.00 1.00 H new ATOM 1713 N ILE A 114 -1.458 17.697 -2.601 1.00 1.00 N ATOM 1714 CA ILE A 114 -2.286 18.522 -1.730 1.00 1.00 C ATOM 1715 C ILE A 114 -3.427 17.701 -1.140 1.00 1.00 C ATOM 1716 O ILE A 114 -4.145 18.166 -0.254 1.00 1.00 O ATOM 1717 CB ILE A 114 -2.858 19.702 -2.519 1.00 1.00 C ATOM 1718 CG1 ILE A 114 -1.715 20.610 -2.979 1.00 1.00 C ATOM 1719 CG2 ILE A 114 -3.811 20.498 -1.625 1.00 1.00 C ATOM 1720 CD1 ILE A 114 -2.230 21.581 -4.041 1.00 1.00 C ATOM 0 H ILE A 114 -1.526 17.925 -3.593 1.00 1.00 H new ATOM 0 HA ILE A 114 -1.665 18.896 -0.916 1.00 1.00 H new ATOM 0 HB ILE A 114 -3.399 19.329 -3.389 1.00 1.00 H new ATOM 0 HG12 ILE A 114 -1.312 21.163 -2.131 1.00 1.00 H new ATOM 0 HG13 ILE A 114 -0.900 20.010 -3.384 1.00 1.00 H new ATOM 0 HG21 ILE A 114 -4.219 21.339 -2.186 1.00 1.00 H new ATOM 0 HG22 ILE A 114 -4.625 19.852 -1.295 1.00 1.00 H new ATOM 0 HG23 ILE A 114 -3.269 20.871 -0.756 1.00 1.00 H new ATOM 0 HD11 ILE A 114 -1.416 22.228 -4.368 1.00 1.00 H new ATOM 0 HD12 ILE A 114 -2.612 21.019 -4.893 1.00 1.00 H new ATOM 0 HD13 ILE A 114 -3.030 22.190 -3.620 1.00 1.00 H new ATOM 1732 N PHE A 115 -3.591 16.479 -1.639 1.00 1.00 N ATOM 1733 CA PHE A 115 -4.650 15.603 -1.152 1.00 1.00 C ATOM 1734 C PHE A 115 -4.373 15.173 0.283 1.00 1.00 C ATOM 1735 O PHE A 115 -5.291 15.060 1.095 1.00 1.00 O ATOM 1736 CB PHE A 115 -4.757 14.366 -2.046 1.00 1.00 C ATOM 1737 CG PHE A 115 -6.205 13.961 -2.176 1.00 1.00 C ATOM 1738 CD1 PHE A 115 -7.041 14.625 -3.082 1.00 1.00 C ATOM 1739 CD2 PHE A 115 -6.713 12.920 -1.388 1.00 1.00 C ATOM 1740 CE1 PHE A 115 -8.384 14.248 -3.201 1.00 1.00 C ATOM 1741 CE2 PHE A 115 -8.056 12.545 -1.507 1.00 1.00 C ATOM 1742 CZ PHE A 115 -8.891 13.208 -2.414 1.00 1.00 C ATOM 0 H PHE A 115 -3.009 16.076 -2.374 1.00 1.00 H new ATOM 0 HA PHE A 115 -5.591 16.153 -1.179 1.00 1.00 H new ATOM 0 HB2 PHE A 115 -4.338 14.578 -3.030 1.00 1.00 H new ATOM 0 HB3 PHE A 115 -4.176 13.547 -1.622 1.00 1.00 H new ATOM 0 HD1 PHE A 115 -6.650 15.428 -3.689 1.00 1.00 H new ATOM 0 HD2 PHE A 115 -6.069 12.407 -0.689 1.00 1.00 H new ATOM 0 HE1 PHE A 115 -9.029 14.760 -3.900 1.00 1.00 H new ATOM 0 HE2 PHE A 115 -8.448 11.744 -0.899 1.00 1.00 H new ATOM 0 HZ PHE A 115 -9.927 12.917 -2.506 1.00 1.00 H new ATOM 1752 N GLU A 116 -3.103 14.935 0.591 1.00 1.00 N ATOM 1753 CA GLU A 116 -2.722 14.519 1.935 1.00 1.00 C ATOM 1754 C GLU A 116 -3.488 13.264 2.342 1.00 1.00 C ATOM 1755 O GLU A 116 -4.229 13.334 3.309 1.00 1.00 O ATOM 1756 CB GLU A 116 -3.014 15.646 2.928 1.00 1.00 C ATOM 1757 CG GLU A 116 -2.337 15.340 4.265 1.00 1.00 C ATOM 1758 CD GLU A 116 -0.989 16.049 4.343 1.00 1.00 C ATOM 1759 OE1 GLU A 116 -0.262 16.009 3.363 1.00 1.00 O ATOM 1760 OE2 GLU A 116 -0.702 16.621 5.381 1.00 1.00 O ATOM 0 H GLU A 116 -2.327 15.022 -0.065 1.00 1.00 H new ATOM 0 HA GLU A 116 -1.655 14.296 1.942 1.00 1.00 H new ATOM 0 HB2 GLU A 116 -2.651 16.595 2.534 1.00 1.00 H new ATOM 0 HB3 GLU A 116 -4.090 15.750 3.069 1.00 1.00 H new ATOM 0 HG2 GLU A 116 -2.975 15.664 5.087 1.00 1.00 H new ATOM 0 HG3 GLU A 116 -2.198 14.264 4.374 1.00 1.00 H new TER 1767 GLU A 116 HETATM 1768 O1 MTN A 128 3.341 1.554 -9.886 1.00 1.00 O HETATM 1769 N1 MTN A 128 3.950 2.126 -10.839 1.00 1.00 N HETATM 1770 C1 MTN A 128 4.266 3.570 -10.844 1.00 1.00 C HETATM 1771 C2 MTN A 128 4.953 3.676 -12.153 1.00 1.00 C HETATM 1772 C3 MTN A 128 5.037 2.532 -12.805 1.00 1.00 C HETATM 1773 C4 MTN A 128 5.676 2.352 -14.142 1.00 1.00 C HETATM 1774 S1 MTN A 128 6.803 3.685 -14.611 1.00 1.00 S HETATM 1775 C5 MTN A 128 4.406 1.386 -12.050 1.00 1.00 C HETATM 1776 C6 MTN A 128 3.305 0.682 -12.831 1.00 1.00 C HETATM 1777 C7 MTN A 128 5.488 0.396 -11.634 1.00 1.00 C HETATM 1778 C8 MTN A 128 5.222 3.896 -9.708 1.00 1.00 C HETATM 1779 C9 MTN A 128 3.022 4.454 -10.789 1.00 1.00 C HETATM 0 H93 MTN A 128 2.392 4.250 -11.655 1.00 1.00 H new HETATM 0 H92 MTN A 128 2.464 4.241 -9.877 1.00 1.00 H new HETATM 0 H91 MTN A 128 3.320 5.502 -10.795 1.00 1.00 H new HETATM 0 H83 MTN A 128 4.760 3.633 -8.757 1.00 1.00 H new HETATM 0 H82 MTN A 128 6.143 3.327 -9.833 1.00 1.00 H new HETATM 0 H81 MTN A 128 5.450 4.962 -9.719 1.00 1.00 H new HETATM 0 H73 MTN A 128 6.325 0.936 -11.192 1.00 1.00 H new HETATM 0 H72 MTN A 128 5.080 -0.303 -10.903 1.00 1.00 H new HETATM 0 H71 MTN A 128 5.833 -0.155 -12.509 1.00 1.00 H new HETATM 0 H63 MTN A 128 2.813 -0.048 -12.188 1.00 1.00 H new HETATM 0 H62 MTN A 128 2.575 1.416 -13.172 1.00 1.00 H new HETATM 0 H61 MTN A 128 3.738 0.173 -13.692 1.00 1.00 H new HETATM 0 H42 MTN A 128 6.224 1.410 -14.146 1.00 1.00 H new HETATM 0 H41 MTN A 128 4.895 2.270 -14.897 1.00 1.00 H new HETATM 0 H2 MTN A 128 5.352 4.613 -12.541 1.00 1.00 H new HETATM 1795 O1 MTN A 129 2.378 -0.206 -7.939 1.00 1.00 O HETATM 1796 N1 MTN A 129 1.347 0.508 -8.121 1.00 1.00 N HETATM 1797 C1 MTN A 129 1.084 1.751 -7.366 1.00 1.00 C HETATM 1798 C2 MTN A 129 -0.209 2.149 -7.973 1.00 1.00 C HETATM 1799 C3 MTN A 129 -0.639 1.316 -8.904 1.00 1.00 C HETATM 1800 C4 MTN A 129 -1.905 1.475 -9.677 1.00 1.00 C HETATM 1801 S1 MTN A 129 -2.011 3.018 -10.614 1.00 1.00 S HETATM 1802 C5 MTN A 129 0.300 0.154 -9.121 1.00 1.00 C HETATM 1803 C6 MTN A 129 -0.359 -1.205 -8.906 1.00 1.00 C HETATM 1804 C7 MTN A 129 0.911 0.248 -10.514 1.00 1.00 C HETATM 1805 C8 MTN A 129 2.158 2.782 -7.673 1.00 1.00 C HETATM 1806 C9 MTN A 129 0.954 1.519 -5.863 1.00 1.00 C HETATM 0 H93 MTN A 129 0.128 0.834 -5.671 1.00 1.00 H new HETATM 0 H92 MTN A 129 1.879 1.089 -5.480 1.00 1.00 H new HETATM 0 H91 MTN A 129 0.762 2.469 -5.364 1.00 1.00 H new HETATM 0 H83 MTN A 129 3.133 2.388 -7.387 1.00 1.00 H new HETATM 0 H82 MTN A 129 2.155 3.003 -8.740 1.00 1.00 H new HETATM 0 H81 MTN A 129 1.957 3.695 -7.113 1.00 1.00 H new HETATM 0 H73 MTN A 129 1.264 1.264 -10.689 1.00 1.00 H new HETATM 0 H72 MTN A 129 1.749 -0.445 -10.591 1.00 1.00 H new HETATM 0 H71 MTN A 129 0.158 -0.008 -11.260 1.00 1.00 H new HETATM 0 H63 MTN A 129 0.398 -1.988 -8.954 1.00 1.00 H new HETATM 0 H62 MTN A 129 -0.840 -1.225 -7.928 1.00 1.00 H new HETATM 0 H61 MTN A 129 -1.106 -1.374 -9.682 1.00 1.00 H new HETATM 0 H42 MTN A 129 -2.005 0.637 -10.366 1.00 1.00 H new HETATM 0 H41 MTN A 129 -2.748 1.423 -8.988 1.00 1.00 H new HETATM 0 H2 MTN A 129 -0.754 3.046 -7.678 1.00 1.00 H new