USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 HIS : no HD1:sc= 0 X(o=-0.13,f=-0.15) USER MOD Set 1.2: A 130 HIS :FLIP no HD1:sc= -0.127 F(o=-1,f=-0.13) USER MOD Set 2.1: A 100 MET CE :methyl 175:sc= -2.54 (180deg=-2.59) USER MOD Set 2.2: A 105 ASN : amide:sc= -7.81! C(o=-10!,f=-21!) USER MOD Set 3.1: A 85 MET CE :methyl -178:sc= -0.437 (180deg=-0.436) USER MOD Set 3.2: A 97 ASN :FLIP amide:sc= -0.146 F(o=-1.6,f=-0.58) USER MOD Set 4.1: A 54 HIS : no HD1:sc= -1.57 K(o=-3.5,f=-4.7!) USER MOD Set 4.2: A 58 SER OG : rot -86:sc= 0.304 USER MOD Set 4.3: A 59 SER OG : rot 180:sc= -0.821 USER MOD Set 4.4: A 69 TYR OH : rot 74:sc= -1.4! USER MOD Set 5.1: A 33 SER OG : rot 180:sc= 0.052 USER MOD Set 5.2: A 90 MET CE :methyl -178:sc= 0 (180deg=-0.00614) USER MOD Set 6.1: A 32 THR OG1 : rot 180:sc= -1.05 USER MOD Set 6.2: A 35 GLN : amide:sc= -0.253 X(o=-1.3,f=-1.1) USER MOD Single : A 30 ASN : amide:sc= -2.83! C(o=-2.8!,f=-6.8!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 84:sc= 0.135 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -3.4! F(o=-4.9,f=-3.4!) USER MOD Single : A 42 GLN : amide:sc= -0.0183 X(o=-0.018,f=-0.44) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -3.46 K(o=-3.5,f=-5.7!) USER MOD Single : A 60 GLN : amide:sc= 0.401 X(o=0.4,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.0605 F(o=-0.6,f=-0.061) USER MOD Single : A 70 ASN : amide:sc= -1.19 K(o=-1.2,f=-9.2!) USER MOD Single : A 71 ASN : amide:sc= -0.245 K(o=-0.24,f=-2.8!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -95:sc= 0.741 USER MOD Single : A 75 HIS : no HD1:sc= -0.562 K(o=-0.56,f=-1.1) USER MOD Single : A 76 THR OG1 : rot 73:sc= -2.81! USER MOD Single : A 77 GLN : amide:sc=-0.00422 X(o=-0.0042,f=-0.2) USER MOD Single : A 79 THR OG1 : rot -27:sc= -0.3 USER MOD Single : A 82 MET CE :methyl -132:sc= -0.631 (180deg=-1.33) USER MOD Single : A 86 GLN : amide:sc= -1.05 K(o=-1,f=-3!) USER MOD Single : A 87 HIS : no HD1:sc= -6.71! C(o=-6.7!,f=-9.5!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.354 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0456 USER MOD Single : A 103 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-2.7!) USER MOD Single : A 109 MET CE :methyl -110:sc= -5.96 (180deg=-11.8!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl 167:sc= -0.451 (180deg=-0.764) USER MOD Single : A 124 GLN : amide:sc= -0.0526 X(o=-0.053,f=-0.00093) USER MOD Single : A 127 MET CE :methyl -143:sc= -0.0299 (180deg=-1.56!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 29 -12.920 18.939 -9.364 1.00 0.00 N ATOM 2 CA ASP A 29 -13.365 18.591 -7.989 1.00 0.00 C ATOM 3 C ASP A 29 -12.686 17.317 -7.496 1.00 0.00 C ATOM 4 O ASP A 29 -12.016 16.623 -8.260 1.00 0.00 O ATOM 5 CB ASP A 29 -14.884 18.409 -8.000 1.00 0.00 C ATOM 6 CG ASP A 29 -15.497 18.581 -6.624 1.00 0.00 C ATOM 7 OD1 ASP A 29 -15.467 19.713 -6.098 1.00 0.00 O ATOM 8 OD2 ASP A 29 -16.006 17.583 -6.072 1.00 0.00 O ATOM 0 HA ASP A 29 -13.087 19.396 -7.308 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -15.329 19.130 -8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -15.126 17.417 -8.381 1.00 0.00 H new ATOM 13 N ASN A 30 -12.865 17.017 -6.214 1.00 0.00 N ATOM 14 CA ASN A 30 -12.271 15.826 -5.617 1.00 0.00 C ATOM 15 C ASN A 30 -12.892 14.560 -6.196 1.00 0.00 C ATOM 16 O ASN A 30 -14.077 14.535 -6.529 1.00 0.00 O ATOM 17 CB ASN A 30 -12.454 15.847 -4.098 1.00 0.00 C ATOM 18 CG ASN A 30 -12.067 17.178 -3.484 1.00 0.00 C ATOM 19 OD1 ASN A 30 -11.711 18.122 -4.191 1.00 0.00 O ATOM 20 ND2 ASN A 30 -12.133 17.261 -2.161 1.00 0.00 N ATOM 0 H ASN A 30 -13.417 17.582 -5.568 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.206 15.826 -5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.495 15.629 -3.858 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.851 15.056 -3.652 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.884 18.131 -1.692 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.433 16.454 -1.614 1.00 0.00 H new ATOM 27 N VAL A 31 -12.086 13.507 -6.312 1.00 0.00 N ATOM 28 CA VAL A 31 -12.563 12.236 -6.850 1.00 0.00 C ATOM 29 C VAL A 31 -13.773 11.731 -6.069 1.00 0.00 C ATOM 30 O VAL A 31 -13.973 12.096 -4.910 1.00 0.00 O ATOM 31 CB VAL A 31 -11.462 11.154 -6.836 1.00 0.00 C ATOM 32 CG1 VAL A 31 -10.586 11.269 -8.074 1.00 0.00 C ATOM 33 CG2 VAL A 31 -10.619 11.245 -5.571 1.00 0.00 C ATOM 0 H VAL A 31 -11.103 13.509 -6.041 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.850 12.424 -7.885 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.948 10.178 -6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.815 10.499 -8.047 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.198 11.139 -8.966 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.116 12.252 -8.097 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.852 10.471 -5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.145 12.225 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.256 11.104 -4.698 1.00 0.00 H new ATOM 43 N THR A 32 -14.583 10.897 -6.714 1.00 0.00 N ATOM 44 CA THR A 32 -15.780 10.349 -6.082 1.00 0.00 C ATOM 45 C THR A 32 -15.431 9.586 -4.809 1.00 0.00 C ATOM 46 O THR A 32 -14.352 9.005 -4.697 1.00 0.00 O ATOM 47 CB THR A 32 -16.521 9.427 -7.053 1.00 0.00 C ATOM 48 OG1 THR A 32 -15.865 8.176 -7.157 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.643 10.000 -8.448 1.00 0.00 C ATOM 0 H THR A 32 -14.433 10.586 -7.674 1.00 0.00 H new ATOM 0 HA THR A 32 -16.428 11.184 -5.815 1.00 0.00 H new ATOM 0 HB THR A 32 -17.522 9.314 -6.636 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.355 7.601 -7.781 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.178 9.296 -9.085 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.190 10.942 -8.408 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.648 10.176 -8.857 1.00 0.00 H new ATOM 57 N SER A 33 -16.356 9.589 -3.851 1.00 0.00 N ATOM 58 CA SER A 33 -16.150 8.895 -2.583 1.00 0.00 C ATOM 59 C SER A 33 -15.803 7.428 -2.818 1.00 0.00 C ATOM 60 O SER A 33 -14.995 6.847 -2.093 1.00 0.00 O ATOM 61 CB SER A 33 -17.400 9.004 -1.709 1.00 0.00 C ATOM 62 OG SER A 33 -18.573 9.071 -2.501 1.00 0.00 O ATOM 0 H SER A 33 -17.255 10.064 -3.929 1.00 0.00 H new ATOM 0 HA SER A 33 -15.315 9.369 -2.068 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.457 8.144 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.331 9.892 -1.080 1.00 0.00 H new ATOM 0 HG SER A 33 -19.358 9.138 -1.918 1.00 0.00 H new ATOM 68 N SER A 34 -16.412 6.838 -3.842 1.00 0.00 N ATOM 69 CA SER A 34 -16.157 5.443 -4.179 1.00 0.00 C ATOM 70 C SER A 34 -14.748 5.278 -4.736 1.00 0.00 C ATOM 71 O SER A 34 -14.146 4.210 -4.631 1.00 0.00 O ATOM 72 CB SER A 34 -17.185 4.944 -5.197 1.00 0.00 C ATOM 73 OG SER A 34 -17.536 3.594 -4.947 1.00 0.00 O ATOM 0 H SER A 34 -17.084 7.304 -4.451 1.00 0.00 H new ATOM 0 HA SER A 34 -16.246 4.848 -3.270 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.077 5.569 -5.154 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.779 5.037 -6.204 1.00 0.00 H new ATOM 0 HG SER A 34 -18.195 3.299 -5.610 1.00 0.00 H new ATOM 79 N GLN A 35 -14.227 6.350 -5.326 1.00 0.00 N ATOM 80 CA GLN A 35 -12.888 6.339 -5.899 1.00 0.00 C ATOM 81 C GLN A 35 -11.833 6.323 -4.803 1.00 0.00 C ATOM 82 O GLN A 35 -10.877 5.549 -4.856 1.00 0.00 O ATOM 83 CB GLN A 35 -12.694 7.562 -6.786 1.00 0.00 C ATOM 84 CG GLN A 35 -11.794 7.313 -7.985 1.00 0.00 C ATOM 85 CD GLN A 35 -12.510 6.595 -9.112 1.00 0.00 C ATOM 86 OE1 GLN A 35 -12.058 5.551 -9.584 1.00 0.00 O ATOM 87 NE2 GLN A 35 -13.633 7.151 -9.549 1.00 0.00 N ATOM 0 H GLN A 35 -14.716 7.240 -5.419 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.777 5.436 -6.499 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.668 7.902 -7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.272 8.370 -6.188 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.411 8.266 -8.351 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.933 6.722 -7.672 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.971 8.017 -9.129 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.158 6.713 -10.305 1.00 0.00 H new ATOM 96 N LEU A 36 -12.017 7.181 -3.803 1.00 0.00 N ATOM 97 CA LEU A 36 -11.085 7.263 -2.686 1.00 0.00 C ATOM 98 C LEU A 36 -10.874 5.884 -2.075 1.00 0.00 C ATOM 99 O LEU A 36 -9.743 5.470 -1.820 1.00 0.00 O ATOM 100 CB LEU A 36 -11.615 8.227 -1.622 1.00 0.00 C ATOM 101 CG LEU A 36 -11.450 9.713 -1.946 1.00 0.00 C ATOM 102 CD1 LEU A 36 -10.005 10.025 -2.302 1.00 0.00 C ATOM 103 CD2 LEU A 36 -12.381 10.117 -3.079 1.00 0.00 C ATOM 0 H LEU A 36 -12.803 7.828 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.131 7.637 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.674 8.022 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.106 8.019 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.716 10.291 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.907 11.087 -2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.360 9.773 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.710 9.439 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.251 11.177 -3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.146 9.532 -3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.414 9.931 -2.785 1.00 0.00 H new ATOM 115 N LEU A 37 -11.975 5.175 -1.853 1.00 0.00 N ATOM 116 CA LEU A 37 -11.921 3.838 -1.283 1.00 0.00 C ATOM 117 C LEU A 37 -11.596 2.800 -2.354 1.00 0.00 C ATOM 118 O LEU A 37 -11.068 1.731 -2.048 1.00 0.00 O ATOM 119 CB LEU A 37 -13.248 3.492 -0.604 1.00 0.00 C ATOM 120 CG LEU A 37 -14.455 3.409 -1.540 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.678 1.976 -1.997 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.700 3.950 -0.853 1.00 0.00 C ATOM 0 H LEU A 37 -12.917 5.507 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.127 3.823 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.138 2.536 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.452 4.241 0.161 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.253 4.022 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.541 1.936 -2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.794 1.622 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.859 1.341 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.549 3.883 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.906 3.363 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.539 4.992 -0.575 1.00 0.00 H new ATOM 134 N SER A 38 -11.912 3.114 -3.611 1.00 0.00 N ATOM 135 CA SER A 38 -11.645 2.190 -4.708 1.00 0.00 C ATOM 136 C SER A 38 -10.156 1.872 -4.803 1.00 0.00 C ATOM 137 O SER A 38 -9.767 0.713 -4.941 1.00 0.00 O ATOM 138 CB SER A 38 -12.141 2.775 -6.031 1.00 0.00 C ATOM 139 OG SER A 38 -13.317 2.118 -6.471 1.00 0.00 O ATOM 0 H SER A 38 -12.349 3.992 -3.891 1.00 0.00 H new ATOM 0 HA SER A 38 -12.183 1.264 -4.507 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.340 3.840 -5.909 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.363 2.680 -6.788 1.00 0.00 H new ATOM 0 HG SER A 38 -14.098 2.519 -6.035 1.00 0.00 H new ATOM 145 N VAL A 39 -9.329 2.909 -4.730 1.00 0.00 N ATOM 146 CA VAL A 39 -7.884 2.737 -4.810 1.00 0.00 C ATOM 147 C VAL A 39 -7.329 2.147 -3.518 1.00 0.00 C ATOM 148 O VAL A 39 -6.412 1.327 -3.544 1.00 0.00 O ATOM 149 CB VAL A 39 -7.173 4.073 -5.101 1.00 0.00 C ATOM 150 CG1 VAL A 39 -5.684 3.851 -5.320 1.00 0.00 C ATOM 151 CG2 VAL A 39 -7.799 4.761 -6.305 1.00 0.00 C ATOM 0 H VAL A 39 -9.634 3.876 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.692 2.048 -5.632 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.296 4.723 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.200 4.806 -5.524 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.247 3.406 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.537 3.181 -6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.284 5.703 -6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.710 4.116 -7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.852 4.958 -6.105 1.00 0.00 H new ATOM 161 N ARG A 40 -7.889 2.565 -2.387 1.00 0.00 N ATOM 162 CA ARG A 40 -7.440 2.064 -1.094 1.00 0.00 C ATOM 163 C ARG A 40 -7.727 0.569 -0.972 1.00 0.00 C ATOM 164 O ARG A 40 -7.040 -0.147 -0.244 1.00 0.00 O ATOM 165 CB ARG A 40 -8.108 2.849 0.049 1.00 0.00 C ATOM 166 CG ARG A 40 -8.381 2.029 1.304 1.00 0.00 C ATOM 167 CD ARG A 40 -9.745 1.361 1.249 1.00 0.00 C ATOM 168 NE ARG A 40 -9.908 0.363 2.304 1.00 0.00 N ATOM 169 CZ ARG A 40 -11.088 -0.103 2.708 1.00 0.00 C ATOM 170 NH1 ARG A 40 -12.209 0.331 2.146 1.00 0.00 N ATOM 171 NH2 ARG A 40 -11.147 -1.007 3.676 1.00 0.00 N ATOM 0 H ARG A 40 -8.649 3.244 -2.340 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.362 2.209 -1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.471 3.693 0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.050 3.261 -0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.608 1.270 1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.326 2.675 2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.524 2.118 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.877 0.886 0.277 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.069 0.002 2.757 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.170 1.026 1.400 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.110 -0.030 2.460 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.289 -1.345 4.111 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.051 -1.364 3.986 1.00 0.00 H new ATOM 185 N HIS A 41 -8.741 0.104 -1.695 1.00 0.00 N ATOM 186 CA HIS A 41 -9.108 -1.305 -1.672 1.00 0.00 C ATOM 187 C HIS A 41 -8.087 -2.131 -2.445 1.00 0.00 C ATOM 188 O HIS A 41 -7.760 -3.254 -2.061 1.00 0.00 O ATOM 189 CB HIS A 41 -10.502 -1.503 -2.271 1.00 0.00 C ATOM 190 CG HIS A 41 -11.608 -1.380 -1.270 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.613 -0.478 -1.165 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -11.771 -2.255 -0.216 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.356 -0.822 -0.063 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -12.828 -1.897 0.492 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.321 0.682 -2.303 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.120 -1.641 -0.635 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -10.656 -0.769 -3.062 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.552 -2.488 -2.736 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -11.134 -3.101 -0.003 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.231 -0.298 0.292 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -13.176 -2.371 1.325 1.00 0.00 H new ATOM 203 N GLN A 42 -7.585 -1.562 -3.536 1.00 0.00 N ATOM 204 CA GLN A 42 -6.596 -2.237 -4.367 1.00 0.00 C ATOM 205 C GLN A 42 -5.205 -2.129 -3.748 1.00 0.00 C ATOM 206 O GLN A 42 -4.374 -3.025 -3.898 1.00 0.00 O ATOM 207 CB GLN A 42 -6.599 -1.641 -5.782 1.00 0.00 C ATOM 208 CG GLN A 42 -5.944 -0.271 -5.885 1.00 0.00 C ATOM 209 CD GLN A 42 -5.500 0.058 -7.297 1.00 0.00 C ATOM 210 OE1 GLN A 42 -6.031 -0.481 -8.268 1.00 0.00 O ATOM 211 NE2 GLN A 42 -4.521 0.947 -7.417 1.00 0.00 N ATOM 0 H GLN A 42 -7.848 -0.633 -3.865 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.860 -3.293 -4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.085 -2.328 -6.454 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.629 -1.565 -6.130 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.645 0.490 -5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.082 -0.233 -5.219 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.110 1.369 -6.584 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.180 1.208 -8.342 1.00 0.00 H new ATOM 220 N LEU A 43 -4.961 -1.021 -3.056 1.00 0.00 N ATOM 221 CA LEU A 43 -3.673 -0.784 -2.415 1.00 0.00 C ATOM 222 C LEU A 43 -3.552 -1.585 -1.122 1.00 0.00 C ATOM 223 O LEU A 43 -2.734 -2.499 -1.021 1.00 0.00 O ATOM 224 CB LEU A 43 -3.499 0.714 -2.123 1.00 0.00 C ATOM 225 CG LEU A 43 -2.058 1.255 -2.126 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.623 1.613 -0.714 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.081 0.260 -2.743 1.00 0.00 C ATOM 0 H LEU A 43 -5.640 -0.271 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.887 -1.111 -3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.074 1.274 -2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.940 0.924 -1.148 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.047 2.154 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.602 1.994 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.288 2.377 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.667 0.725 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.075 0.680 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.097 -0.668 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.372 0.056 -3.773 1.00 0.00 H new ATOM 239 N ALA A 44 -4.373 -1.235 -0.134 1.00 0.00 N ATOM 240 CA ALA A 44 -4.362 -1.918 1.157 1.00 0.00 C ATOM 241 C ALA A 44 -4.344 -3.435 0.987 1.00 0.00 C ATOM 242 O ALA A 44 -3.640 -4.141 1.709 1.00 0.00 O ATOM 243 CB ALA A 44 -5.566 -1.496 1.985 1.00 0.00 C ATOM 0 H ALA A 44 -5.056 -0.480 -0.204 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.450 -1.630 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.546 -2.012 2.945 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.534 -0.419 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.482 -1.754 1.453 1.00 0.00 H new ATOM 249 N GLU A 45 -5.120 -3.931 0.027 1.00 0.00 N ATOM 250 CA GLU A 45 -5.187 -5.365 -0.235 1.00 0.00 C ATOM 251 C GLU A 45 -3.805 -5.923 -0.557 1.00 0.00 C ATOM 252 O GLU A 45 -3.317 -6.829 0.119 1.00 0.00 O ATOM 253 CB GLU A 45 -6.147 -5.649 -1.392 1.00 0.00 C ATOM 254 CG GLU A 45 -7.571 -5.935 -0.944 1.00 0.00 C ATOM 255 CD GLU A 45 -8.392 -6.625 -2.015 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.796 -5.947 -2.983 1.00 0.00 O ATOM 257 OE2 GLU A 45 -8.630 -7.845 -1.887 1.00 0.00 O ATOM 0 H GLU A 45 -5.710 -3.362 -0.581 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.558 -5.857 0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.152 -4.793 -2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.776 -6.502 -1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.548 -6.559 -0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.056 -4.999 -0.667 1.00 0.00 H new ATOM 264 N SER A 46 -3.178 -5.374 -1.592 1.00 0.00 N ATOM 265 CA SER A 46 -1.851 -5.816 -2.003 1.00 0.00 C ATOM 266 C SER A 46 -0.819 -5.511 -0.922 1.00 0.00 C ATOM 267 O SER A 46 0.174 -6.225 -0.778 1.00 0.00 O ATOM 268 CB SER A 46 -1.448 -5.139 -3.314 1.00 0.00 C ATOM 269 OG SER A 46 -0.206 -5.633 -3.784 1.00 0.00 O ATOM 0 H SER A 46 -3.568 -4.623 -2.161 1.00 0.00 H new ATOM 0 HA SER A 46 -1.885 -6.895 -2.155 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.218 -5.309 -4.066 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.381 -4.061 -3.164 1.00 0.00 H new ATOM 0 HG SER A 46 0.028 -5.185 -4.624 1.00 0.00 H new ATOM 275 N ALA A 47 -1.060 -4.446 -0.164 1.00 0.00 N ATOM 276 CA ALA A 47 -0.153 -4.046 0.905 1.00 0.00 C ATOM 277 C ALA A 47 -0.240 -5.006 2.087 1.00 0.00 C ATOM 278 O ALA A 47 -0.720 -4.643 3.161 1.00 0.00 O ATOM 279 CB ALA A 47 -0.459 -2.624 1.351 1.00 0.00 C ATOM 0 H ALA A 47 -1.877 -3.844 -0.271 1.00 0.00 H new ATOM 0 HA ALA A 47 0.865 -4.082 0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.225 -2.338 2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.337 -1.944 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.485 -2.570 1.716 1.00 0.00 H new ATOM 285 N GLY A 48 0.226 -6.234 1.882 1.00 0.00 N ATOM 286 CA GLY A 48 0.191 -7.227 2.939 1.00 0.00 C ATOM 287 C GLY A 48 0.760 -8.562 2.499 1.00 0.00 C ATOM 288 O GLY A 48 0.609 -8.958 1.343 1.00 0.00 O ATOM 0 H GLY A 48 0.627 -6.559 1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.755 -6.860 3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.838 -7.365 3.270 1.00 0.00 H new ATOM 292 N LEU A 49 1.418 -9.257 3.422 1.00 0.00 N ATOM 293 CA LEU A 49 2.012 -10.555 3.122 1.00 0.00 C ATOM 294 C LEU A 49 1.182 -11.686 3.729 1.00 0.00 C ATOM 295 O LEU A 49 0.781 -11.615 4.890 1.00 0.00 O ATOM 296 CB LEU A 49 3.446 -10.618 3.655 1.00 0.00 C ATOM 297 CG LEU A 49 4.454 -9.731 2.920 1.00 0.00 C ATOM 298 CD1 LEU A 49 4.378 -9.962 1.418 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.211 -8.266 3.249 1.00 0.00 C ATOM 0 H LEU A 49 1.553 -8.943 4.383 1.00 0.00 H new ATOM 0 HA LEU A 49 2.028 -10.679 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.438 -10.336 4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.790 -11.651 3.604 1.00 0.00 H new ATOM 0 HG LEU A 49 5.456 -9.999 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.102 -9.322 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.602 -11.006 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.375 -9.724 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.936 -7.649 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.203 -7.987 2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.319 -8.111 4.323 1.00 0.00 H new ATOM 311 N PRO A 50 0.913 -12.751 2.950 1.00 0.00 N ATOM 312 CA PRO A 50 0.126 -13.894 3.425 1.00 0.00 C ATOM 313 C PRO A 50 0.774 -14.588 4.623 1.00 0.00 C ATOM 314 O PRO A 50 0.356 -14.389 5.763 1.00 0.00 O ATOM 315 CB PRO A 50 0.073 -14.836 2.214 1.00 0.00 C ATOM 316 CG PRO A 50 1.189 -14.399 1.326 1.00 0.00 C ATOM 317 CD PRO A 50 1.348 -12.924 1.554 1.00 0.00 C ATOM 0 HA PRO A 50 -0.860 -13.587 3.775 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.197 -15.875 2.518 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.887 -14.766 1.703 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.109 -14.932 1.565 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.961 -14.610 0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.380 -12.603 1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.735 -12.342 0.866 1.00 0.00 H new ATOM 325 N ARG A 51 1.793 -15.403 4.362 1.00 0.00 N ATOM 326 CA ARG A 51 2.487 -16.120 5.426 1.00 0.00 C ATOM 327 C ARG A 51 3.961 -16.320 5.084 1.00 0.00 C ATOM 328 O ARG A 51 4.842 -15.755 5.733 1.00 0.00 O ATOM 329 CB ARG A 51 1.821 -17.474 5.674 1.00 0.00 C ATOM 330 CG ARG A 51 1.910 -17.941 7.118 1.00 0.00 C ATOM 331 CD ARG A 51 3.050 -18.927 7.315 1.00 0.00 C ATOM 332 NE ARG A 51 2.649 -20.297 7.001 1.00 0.00 N ATOM 333 CZ ARG A 51 3.351 -21.373 7.349 1.00 0.00 C ATOM 334 NH1 ARG A 51 4.488 -21.244 8.021 1.00 0.00 N ATOM 335 NH2 ARG A 51 2.915 -22.582 7.023 1.00 0.00 N ATOM 0 H ARG A 51 2.155 -15.582 3.425 1.00 0.00 H new ATOM 0 HA ARG A 51 2.425 -15.518 6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.772 -17.412 5.385 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.285 -18.221 5.030 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.055 -17.081 7.772 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.969 -18.408 7.409 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.890 -18.641 6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.397 -18.878 8.347 1.00 0.00 H new ATOM 0 HE ARG A 51 1.780 -20.437 6.485 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.829 -20.316 8.274 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.021 -22.072 8.285 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.042 -22.687 6.506 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.452 -23.407 7.289 1.00 0.00 H new ATOM 349 N ASP A 52 4.222 -17.131 4.063 1.00 0.00 N ATOM 350 CA ASP A 52 5.589 -17.410 3.637 1.00 0.00 C ATOM 351 C ASP A 52 6.296 -16.135 3.187 1.00 0.00 C ATOM 352 O ASP A 52 7.498 -15.974 3.397 1.00 0.00 O ATOM 353 CB ASP A 52 5.591 -18.434 2.501 1.00 0.00 C ATOM 354 CG ASP A 52 5.113 -19.800 2.953 1.00 0.00 C ATOM 355 OD1 ASP A 52 4.310 -19.863 3.908 1.00 0.00 O ATOM 356 OD2 ASP A 52 5.541 -20.808 2.352 1.00 0.00 O ATOM 0 H ASP A 52 3.505 -17.606 3.515 1.00 0.00 H new ATOM 0 HA ASP A 52 6.130 -17.819 4.490 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.952 -18.078 1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.599 -18.521 2.095 1.00 0.00 H new ATOM 361 N GLN A 53 5.543 -15.232 2.566 1.00 0.00 N ATOM 362 CA GLN A 53 6.101 -13.973 2.084 1.00 0.00 C ATOM 363 C GLN A 53 6.731 -13.180 3.226 1.00 0.00 C ATOM 364 O GLN A 53 7.802 -12.594 3.069 1.00 0.00 O ATOM 365 CB GLN A 53 5.015 -13.137 1.405 1.00 0.00 C ATOM 366 CG GLN A 53 4.415 -13.803 0.177 1.00 0.00 C ATOM 367 CD GLN A 53 3.665 -12.828 -0.707 1.00 0.00 C ATOM 368 OE1 GLN A 53 4.074 -11.679 -0.871 1.00 0.00 O ATOM 369 NE2 GLN A 53 2.558 -13.282 -1.284 1.00 0.00 N ATOM 0 H GLN A 53 4.546 -15.348 2.385 1.00 0.00 H new ATOM 0 HA GLN A 53 6.879 -14.206 1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.221 -12.935 2.124 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.436 -12.174 1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.210 -14.274 -0.401 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.738 -14.596 0.493 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.255 -14.242 -1.121 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.011 -12.671 -1.890 1.00 0.00 H new ATOM 378 N HIS A 54 6.061 -13.166 4.374 1.00 0.00 N ATOM 379 CA HIS A 54 6.560 -12.445 5.540 1.00 0.00 C ATOM 380 C HIS A 54 7.638 -13.251 6.257 1.00 0.00 C ATOM 381 O HIS A 54 8.694 -12.723 6.606 1.00 0.00 O ATOM 382 CB HIS A 54 5.414 -12.133 6.505 1.00 0.00 C ATOM 383 CG HIS A 54 5.846 -11.366 7.718 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.741 -11.861 8.644 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.505 -10.129 8.151 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.931 -10.962 9.593 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.193 -9.903 9.318 1.00 0.00 N ATOM 0 H HIS A 54 5.173 -13.645 4.522 1.00 0.00 H new ATOM 0 HA HIS A 54 6.999 -11.509 5.195 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.650 -11.562 5.977 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.951 -13.068 6.822 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.820 -9.447 7.669 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.580 -11.075 10.449 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.142 -9.054 9.881 1.00 0.00 H new ATOM 396 N GLU A 55 7.363 -14.533 6.477 1.00 0.00 N ATOM 397 CA GLU A 55 8.307 -15.415 7.156 1.00 0.00 C ATOM 398 C GLU A 55 9.671 -15.401 6.469 1.00 0.00 C ATOM 399 O GLU A 55 10.688 -15.718 7.085 1.00 0.00 O ATOM 400 CB GLU A 55 7.761 -16.844 7.197 1.00 0.00 C ATOM 401 CG GLU A 55 6.516 -16.995 8.056 1.00 0.00 C ATOM 402 CD GLU A 55 6.525 -18.272 8.874 1.00 0.00 C ATOM 403 OE1 GLU A 55 6.552 -19.364 8.268 1.00 0.00 O ATOM 404 OE2 GLU A 55 6.503 -18.180 10.119 1.00 0.00 O ATOM 0 H GLU A 55 6.493 -14.985 6.195 1.00 0.00 H new ATOM 0 HA GLU A 55 8.434 -15.048 8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.533 -17.166 6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.537 -17.510 7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.435 -16.139 8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.634 -16.984 7.416 1.00 0.00 H new ATOM 411 N PHE A 56 9.687 -15.036 5.192 1.00 0.00 N ATOM 412 CA PHE A 56 10.928 -14.986 4.429 1.00 0.00 C ATOM 413 C PHE A 56 11.578 -13.607 4.531 1.00 0.00 C ATOM 414 O PHE A 56 12.757 -13.490 4.856 1.00 0.00 O ATOM 415 CB PHE A 56 10.656 -15.346 2.959 1.00 0.00 C ATOM 416 CG PHE A 56 11.570 -14.664 1.975 1.00 0.00 C ATOM 417 CD1 PHE A 56 12.946 -14.804 2.073 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.052 -13.882 0.955 1.00 0.00 C ATOM 419 CE1 PHE A 56 13.786 -14.176 1.174 1.00 0.00 C ATOM 420 CE2 PHE A 56 11.888 -13.253 0.052 1.00 0.00 C ATOM 421 CZ PHE A 56 13.256 -13.400 0.162 1.00 0.00 C ATOM 0 H PHE A 56 8.856 -14.771 4.664 1.00 0.00 H new ATOM 0 HA PHE A 56 11.621 -15.715 4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.751 -16.425 2.838 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.625 -15.088 2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.366 -15.411 2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.982 -13.763 0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.856 -14.292 1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.471 -12.647 -0.739 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.911 -12.909 -0.542 1.00 0.00 H new ATOM 431 N VAL A 57 10.804 -12.570 4.234 1.00 0.00 N ATOM 432 CA VAL A 57 11.304 -11.200 4.271 1.00 0.00 C ATOM 433 C VAL A 57 11.615 -10.726 5.692 1.00 0.00 C ATOM 434 O VAL A 57 12.197 -9.657 5.875 1.00 0.00 O ATOM 435 CB VAL A 57 10.298 -10.225 3.627 1.00 0.00 C ATOM 436 CG1 VAL A 57 8.990 -10.206 4.407 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.893 -8.828 3.528 1.00 0.00 C ATOM 0 H VAL A 57 9.824 -12.652 3.964 1.00 0.00 H new ATOM 0 HA VAL A 57 12.233 -11.204 3.701 1.00 0.00 H new ATOM 0 HB VAL A 57 10.082 -10.573 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.295 -9.512 3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.556 -11.206 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.182 -9.887 5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.168 -8.155 3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.144 -8.468 4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.795 -8.859 2.916 1.00 0.00 H new ATOM 447 N SER A 58 11.217 -11.502 6.698 1.00 0.00 N ATOM 448 CA SER A 58 11.457 -11.114 8.086 1.00 0.00 C ATOM 449 C SER A 58 12.290 -12.148 8.842 1.00 0.00 C ATOM 450 O SER A 58 13.136 -11.790 9.663 1.00 0.00 O ATOM 451 CB SER A 58 10.126 -10.898 8.807 1.00 0.00 C ATOM 452 OG SER A 58 9.573 -12.130 9.237 1.00 0.00 O ATOM 0 H SER A 58 10.733 -12.392 6.581 1.00 0.00 H new ATOM 0 HA SER A 58 12.025 -10.184 8.067 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.276 -10.244 9.666 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.426 -10.394 8.141 1.00 0.00 H new ATOM 0 HG SER A 58 9.044 -12.522 8.511 1.00 0.00 H new ATOM 458 N SER A 59 12.037 -13.426 8.585 1.00 0.00 N ATOM 459 CA SER A 59 12.758 -14.495 9.272 1.00 0.00 C ATOM 460 C SER A 59 13.974 -14.981 8.482 1.00 0.00 C ATOM 461 O SER A 59 14.780 -15.754 8.998 1.00 0.00 O ATOM 462 CB SER A 59 11.820 -15.670 9.550 1.00 0.00 C ATOM 463 OG SER A 59 10.465 -15.257 9.535 1.00 0.00 O ATOM 0 H SER A 59 11.343 -13.748 7.910 1.00 0.00 H new ATOM 0 HA SER A 59 13.122 -14.081 10.212 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.975 -16.447 8.802 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.059 -16.108 10.519 1.00 0.00 H new ATOM 0 HG SER A 59 9.886 -16.027 9.714 1.00 0.00 H new ATOM 469 N GLN A 60 14.104 -14.544 7.232 1.00 0.00 N ATOM 470 CA GLN A 60 15.229 -14.968 6.402 1.00 0.00 C ATOM 471 C GLN A 60 15.956 -13.777 5.783 1.00 0.00 C ATOM 472 O GLN A 60 17.139 -13.558 6.043 1.00 0.00 O ATOM 473 CB GLN A 60 14.744 -15.908 5.299 1.00 0.00 C ATOM 474 CG GLN A 60 13.871 -17.044 5.808 1.00 0.00 C ATOM 475 CD GLN A 60 14.671 -18.283 6.156 1.00 0.00 C ATOM 476 OE1 GLN A 60 14.745 -19.229 5.372 1.00 0.00 O ATOM 477 NE2 GLN A 60 15.277 -18.284 7.338 1.00 0.00 N ATOM 0 H GLN A 60 13.453 -13.905 6.776 1.00 0.00 H new ATOM 0 HA GLN A 60 15.934 -15.493 7.047 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.184 -15.332 4.563 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.608 -16.328 4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.324 -16.710 6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.130 -17.296 5.049 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.189 -17.478 7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.830 -19.091 7.627 1.00 0.00 H new ATOM 486 N ALA A 61 15.244 -13.020 4.952 1.00 0.00 N ATOM 487 CA ALA A 61 15.814 -11.855 4.276 1.00 0.00 C ATOM 488 C ALA A 61 16.705 -11.033 5.208 1.00 0.00 C ATOM 489 O ALA A 61 16.484 -10.992 6.418 1.00 0.00 O ATOM 490 CB ALA A 61 14.703 -10.986 3.707 1.00 0.00 C ATOM 0 H ALA A 61 14.264 -13.194 4.729 1.00 0.00 H new ATOM 0 HA ALA A 61 16.441 -12.219 3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.138 -10.121 3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.119 -11.565 2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.055 -10.648 4.516 1.00 0.00 H new ATOM 496 N PRO A 62 17.729 -10.365 4.648 1.00 0.00 N ATOM 497 CA PRO A 62 18.659 -9.540 5.426 1.00 0.00 C ATOM 498 C PRO A 62 18.018 -8.247 5.919 1.00 0.00 C ATOM 499 O PRO A 62 17.002 -7.804 5.384 1.00 0.00 O ATOM 500 CB PRO A 62 19.779 -9.235 4.430 1.00 0.00 C ATOM 501 CG PRO A 62 19.124 -9.304 3.095 1.00 0.00 C ATOM 502 CD PRO A 62 18.061 -10.363 3.209 1.00 0.00 C ATOM 0 HA PRO A 62 18.998 -10.049 6.328 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.211 -8.251 4.609 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.590 -9.959 4.512 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.689 -8.342 2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.846 -9.558 2.319 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.191 -10.126 2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.427 -11.336 2.880 1.00 0.00 H new ATOM 510 N GLN A 63 18.621 -7.646 6.942 1.00 0.00 N ATOM 511 CA GLN A 63 18.111 -6.401 7.511 1.00 0.00 C ATOM 512 C GLN A 63 17.836 -5.370 6.419 1.00 0.00 C ATOM 513 O GLN A 63 16.919 -4.557 6.537 1.00 0.00 O ATOM 514 CB GLN A 63 19.109 -5.834 8.522 1.00 0.00 C ATOM 515 CG GLN A 63 18.570 -4.652 9.311 1.00 0.00 C ATOM 516 CD GLN A 63 18.685 -4.848 10.811 1.00 0.00 C ATOM 517 OE1 GLN A 63 17.960 -5.648 11.401 1.00 0.00 O ATOM 518 NE2 GLN A 63 19.601 -4.116 11.435 1.00 0.00 N ATOM 0 H GLN A 63 19.464 -8.001 7.394 1.00 0.00 H new ATOM 0 HA GLN A 63 17.172 -6.622 8.018 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.398 -6.623 9.217 1.00 0.00 H new ATOM 0 HB3 GLN A 63 20.013 -5.527 7.995 1.00 0.00 H new ATOM 0 HG2 GLN A 63 19.112 -3.751 9.024 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.524 -4.492 9.049 1.00 0.00 H new ATOM 0 HE21 GLN A 63 20.181 -3.465 10.906 1.00 0.00 H new ATOM 0 HE22 GLN A 63 19.725 -4.205 12.444 1.00 0.00 H new ATOM 527 N SER A 64 18.635 -5.411 5.358 1.00 0.00 N ATOM 528 CA SER A 64 18.474 -4.482 4.245 1.00 0.00 C ATOM 529 C SER A 64 17.096 -4.634 3.610 1.00 0.00 C ATOM 530 O SER A 64 16.418 -3.646 3.328 1.00 0.00 O ATOM 531 CB SER A 64 19.562 -4.716 3.196 1.00 0.00 C ATOM 532 OG SER A 64 20.854 -4.585 3.762 1.00 0.00 O ATOM 0 H SER A 64 19.400 -6.077 5.245 1.00 0.00 H new ATOM 0 HA SER A 64 18.567 -3.467 4.632 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.449 -5.711 2.767 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.445 -4.002 2.381 1.00 0.00 H new ATOM 0 HG SER A 64 21.531 -4.741 3.071 1.00 0.00 H new ATOM 538 N LEU A 65 16.686 -5.880 3.391 1.00 0.00 N ATOM 539 CA LEU A 65 15.387 -6.163 2.793 1.00 0.00 C ATOM 540 C LEU A 65 14.260 -5.772 3.743 1.00 0.00 C ATOM 541 O LEU A 65 13.197 -5.324 3.311 1.00 0.00 O ATOM 542 CB LEU A 65 15.279 -7.647 2.437 1.00 0.00 C ATOM 543 CG LEU A 65 14.438 -7.957 1.197 1.00 0.00 C ATOM 544 CD1 LEU A 65 12.996 -7.524 1.407 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.029 -7.277 -0.029 1.00 0.00 C ATOM 0 H LEU A 65 17.235 -6.709 3.619 1.00 0.00 H new ATOM 0 HA LEU A 65 15.294 -5.572 1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.283 -8.042 2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.853 -8.179 3.288 1.00 0.00 H new ATOM 0 HG LEU A 65 14.450 -9.034 1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.414 -7.753 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.577 -8.057 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.962 -6.451 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.419 -7.508 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.047 -6.198 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.045 -7.637 -0.191 1.00 0.00 H new ATOM 557 N ARG A 66 14.502 -5.941 5.039 1.00 0.00 N ATOM 558 CA ARG A 66 13.510 -5.603 6.052 1.00 0.00 C ATOM 559 C ARG A 66 13.333 -4.092 6.154 1.00 0.00 C ATOM 560 O ARG A 66 12.240 -3.602 6.435 1.00 0.00 O ATOM 561 CB ARG A 66 13.922 -6.172 7.411 1.00 0.00 C ATOM 562 CG ARG A 66 14.280 -7.649 7.370 1.00 0.00 C ATOM 563 CD ARG A 66 14.944 -8.097 8.662 1.00 0.00 C ATOM 564 NE ARG A 66 15.741 -9.307 8.478 1.00 0.00 N ATOM 565 CZ ARG A 66 16.516 -9.835 9.423 1.00 0.00 C ATOM 566 NH1 ARG A 66 16.600 -9.263 10.617 1.00 0.00 N ATOM 567 NH2 ARG A 66 17.207 -10.939 9.173 1.00 0.00 N ATOM 0 H ARG A 66 15.377 -6.310 5.412 1.00 0.00 H new ATOM 0 HA ARG A 66 12.559 -6.045 5.755 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.777 -5.610 7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.107 -6.024 8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.379 -8.238 7.199 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.949 -7.839 6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.582 -7.297 9.038 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.180 -8.278 9.418 1.00 0.00 H new ATOM 0 HE ARG A 66 15.702 -9.775 7.573 1.00 0.00 H new ATOM 0 HH11 ARG A 66 16.069 -8.415 10.815 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.195 -9.672 11.338 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.145 -11.383 8.257 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.801 -11.344 9.897 1.00 0.00 H new ATOM 581 N ASN A 67 14.417 -3.359 5.923 1.00 0.00 N ATOM 582 CA ASN A 67 14.383 -1.903 5.988 1.00 0.00 C ATOM 583 C ASN A 67 13.382 -1.339 4.985 1.00 0.00 C ATOM 584 O ASN A 67 12.559 -0.489 5.325 1.00 0.00 O ATOM 585 CB ASN A 67 15.774 -1.326 5.717 1.00 0.00 C ATOM 586 CG ASN A 67 16.606 -1.206 6.978 1.00 0.00 C ATOM 587 OD1 ASN A 67 17.673 -1.992 7.059 1.00 0.00 O flip ATOM 588 ND2 ASN A 67 16.294 -0.415 7.868 1.00 0.00 N flip ATOM 0 H ASN A 67 15.330 -3.750 5.689 1.00 0.00 H new ATOM 0 HA ASN A 67 14.068 -1.616 6.991 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.295 -1.962 5.001 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.673 -0.343 5.257 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.465 0.170 7.763 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.865 -0.344 8.711 1.00 0.00 H new ATOM 595 N ARG A 68 13.459 -1.817 3.747 1.00 0.00 N ATOM 596 CA ARG A 68 12.561 -1.362 2.691 1.00 0.00 C ATOM 597 C ARG A 68 11.158 -1.935 2.877 1.00 0.00 C ATOM 598 O ARG A 68 10.174 -1.351 2.422 1.00 0.00 O ATOM 599 CB ARG A 68 13.112 -1.761 1.320 1.00 0.00 C ATOM 600 CG ARG A 68 13.139 -3.263 1.086 1.00 0.00 C ATOM 601 CD ARG A 68 13.232 -3.591 -0.395 1.00 0.00 C ATOM 602 NE ARG A 68 11.914 -3.728 -1.010 1.00 0.00 N ATOM 603 CZ ARG A 68 11.719 -3.896 -2.316 1.00 0.00 C ATOM 604 NH1 ARG A 68 12.753 -3.949 -3.148 1.00 0.00 N ATOM 605 NH2 ARG A 68 10.487 -4.012 -2.793 1.00 0.00 N ATOM 0 H ARG A 68 14.135 -2.521 3.450 1.00 0.00 H new ATOM 0 HA ARG A 68 12.496 -0.275 2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.506 -1.292 0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.123 -1.368 1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.989 -3.700 1.611 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.239 -3.714 1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.790 -2.806 -0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.791 -4.517 -0.527 1.00 0.00 H new ATOM 0 HE ARG A 68 11.095 -3.693 -0.403 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.703 -3.861 -2.787 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.597 -4.078 -4.148 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.689 -3.972 -2.159 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.338 -4.141 -3.794 1.00 0.00 H new ATOM 619 N TYR A 69 11.074 -3.081 3.546 1.00 0.00 N ATOM 620 CA TYR A 69 9.793 -3.737 3.790 1.00 0.00 C ATOM 621 C TYR A 69 8.811 -2.790 4.477 1.00 0.00 C ATOM 622 O TYR A 69 7.754 -2.473 3.931 1.00 0.00 O ATOM 623 CB TYR A 69 10.000 -4.991 4.645 1.00 0.00 C ATOM 624 CG TYR A 69 8.712 -5.668 5.063 1.00 0.00 C ATOM 625 CD1 TYR A 69 8.057 -5.294 6.230 1.00 0.00 C ATOM 626 CD2 TYR A 69 8.155 -6.680 4.293 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.883 -5.909 6.617 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.980 -7.301 4.673 1.00 0.00 C ATOM 629 CZ TYR A 69 6.348 -6.912 5.836 1.00 0.00 C ATOM 630 OH TYR A 69 5.179 -7.528 6.219 1.00 0.00 O ATOM 0 H TYR A 69 11.879 -3.576 3.930 1.00 0.00 H new ATOM 0 HA TYR A 69 9.370 -4.024 2.827 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.609 -5.703 4.087 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.563 -4.721 5.538 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.473 -4.509 6.844 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.648 -6.987 3.382 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.386 -5.606 7.527 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.559 -8.086 4.063 1.00 0.00 H new ATOM 0 HH TYR A 69 4.424 -6.923 6.063 1.00 0.00 H new ATOM 640 N ASN A 70 9.165 -2.348 5.679 1.00 0.00 N ATOM 641 CA ASN A 70 8.311 -1.444 6.443 1.00 0.00 C ATOM 642 C ASN A 70 8.269 -0.055 5.810 1.00 0.00 C ATOM 643 O ASN A 70 7.273 0.658 5.927 1.00 0.00 O ATOM 644 CB ASN A 70 8.806 -1.343 7.887 1.00 0.00 C ATOM 645 CG ASN A 70 10.272 -0.965 7.972 1.00 0.00 C ATOM 646 OD1 ASN A 70 11.075 -1.355 7.125 1.00 0.00 O ATOM 647 ND2 ASN A 70 10.628 -0.203 8.999 1.00 0.00 N ATOM 0 H ASN A 70 10.036 -2.600 6.145 1.00 0.00 H new ATOM 0 HA ASN A 70 7.300 -1.853 6.436 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.211 -0.602 8.421 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.650 -2.298 8.389 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.601 0.082 9.109 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.928 0.097 9.678 1.00 0.00 H new ATOM 654 N ASN A 71 9.355 0.325 5.145 1.00 0.00 N ATOM 655 CA ASN A 71 9.439 1.632 4.501 1.00 0.00 C ATOM 656 C ASN A 71 8.319 1.819 3.481 1.00 0.00 C ATOM 657 O ASN A 71 7.466 2.694 3.634 1.00 0.00 O ATOM 658 CB ASN A 71 10.797 1.802 3.817 1.00 0.00 C ATOM 659 CG ASN A 71 11.353 3.204 3.976 1.00 0.00 C ATOM 660 OD1 ASN A 71 10.828 4.008 4.746 1.00 0.00 O ATOM 661 ND2 ASN A 71 12.421 3.503 3.246 1.00 0.00 N ATOM 0 H ASN A 71 10.189 -0.253 5.038 1.00 0.00 H new ATOM 0 HA ASN A 71 9.329 2.392 5.275 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.503 1.084 4.234 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.698 1.572 2.756 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.839 4.431 3.311 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.823 2.805 2.621 1.00 0.00 H new ATOM 668 N LEU A 72 8.331 0.996 2.438 1.00 0.00 N ATOM 669 CA LEU A 72 7.321 1.075 1.388 1.00 0.00 C ATOM 670 C LEU A 72 5.911 0.998 1.968 1.00 0.00 C ATOM 671 O LEU A 72 5.004 1.693 1.510 1.00 0.00 O ATOM 672 CB LEU A 72 7.525 -0.047 0.367 1.00 0.00 C ATOM 673 CG LEU A 72 7.490 -1.465 0.942 1.00 0.00 C ATOM 674 CD1 LEU A 72 6.054 -1.948 1.093 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.285 -2.416 0.059 1.00 0.00 C ATOM 0 H LEU A 72 9.029 0.266 2.297 1.00 0.00 H new ATOM 0 HA LEU A 72 7.434 2.038 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.754 0.036 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.484 0.104 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 72 7.949 -1.447 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.051 -2.958 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.515 -1.281 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.567 -1.951 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.250 -3.420 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.854 -2.429 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.321 -2.081 0.004 1.00 0.00 H new ATOM 687 N TYR A 73 5.731 0.149 2.974 1.00 0.00 N ATOM 688 CA TYR A 73 4.427 -0.012 3.604 1.00 0.00 C ATOM 689 C TYR A 73 4.098 1.175 4.504 1.00 0.00 C ATOM 690 O TYR A 73 2.930 1.512 4.697 1.00 0.00 O ATOM 691 CB TYR A 73 4.375 -1.310 4.412 1.00 0.00 C ATOM 692 CG TYR A 73 2.974 -1.708 4.824 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.898 -1.529 3.963 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.728 -2.261 6.075 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.617 -1.887 4.336 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.449 -2.623 6.455 1.00 0.00 C ATOM 697 CZ TYR A 73 0.398 -2.435 5.582 1.00 0.00 C ATOM 698 OH TYR A 73 -0.876 -2.794 5.958 1.00 0.00 O ATOM 0 H TYR A 73 6.468 -0.435 3.369 1.00 0.00 H new ATOM 0 HA TYR A 73 3.681 -0.058 2.811 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.814 -2.114 3.822 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.990 -1.198 5.305 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.066 -1.103 2.985 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.549 -2.410 6.761 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.208 -1.738 3.655 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.274 -3.051 7.431 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.857 -3.165 6.865 1.00 0.00 H new ATOM 708 N SER A 74 5.131 1.810 5.050 1.00 0.00 N ATOM 709 CA SER A 74 4.940 2.964 5.925 1.00 0.00 C ATOM 710 C SER A 74 4.053 4.005 5.252 1.00 0.00 C ATOM 711 O SER A 74 3.059 4.456 5.824 1.00 0.00 O ATOM 712 CB SER A 74 6.287 3.585 6.294 1.00 0.00 C ATOM 713 OG SER A 74 6.761 4.430 5.260 1.00 0.00 O ATOM 0 H SER A 74 6.106 1.547 4.903 1.00 0.00 H new ATOM 0 HA SER A 74 4.449 2.623 6.837 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.187 4.156 7.217 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.014 2.796 6.485 1.00 0.00 H new ATOM 0 HG SER A 74 7.376 3.929 4.684 1.00 0.00 H new ATOM 719 N HIS A 75 4.413 4.375 4.028 1.00 0.00 N ATOM 720 CA HIS A 75 3.646 5.353 3.271 1.00 0.00 C ATOM 721 C HIS A 75 2.267 4.799 2.929 1.00 0.00 C ATOM 722 O HIS A 75 1.275 5.525 2.939 1.00 0.00 O ATOM 723 CB HIS A 75 4.391 5.739 1.990 1.00 0.00 C ATOM 724 CG HIS A 75 4.622 7.211 1.853 1.00 0.00 C ATOM 725 ND1 HIS A 75 4.697 7.851 0.634 1.00 0.00 N ATOM 726 CD2 HIS A 75 4.795 8.172 2.792 1.00 0.00 C ATOM 727 CE1 HIS A 75 4.907 9.141 0.828 1.00 0.00 C ATOM 728 NE2 HIS A 75 4.969 9.362 2.128 1.00 0.00 N ATOM 0 H HIS A 75 5.232 4.011 3.540 1.00 0.00 H new ATOM 0 HA HIS A 75 3.522 6.244 3.886 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.352 5.225 1.970 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.823 5.387 1.129 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.796 8.029 3.863 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.010 9.888 0.055 1.00 0.00 H new ATOM 0 HE2 HIS A 75 5.121 10.269 2.568 1.00 0.00 H new ATOM 737 N THR A 76 2.216 3.503 2.630 1.00 0.00 N ATOM 738 CA THR A 76 0.960 2.844 2.287 1.00 0.00 C ATOM 739 C THR A 76 -0.074 3.030 3.393 1.00 0.00 C ATOM 740 O THR A 76 -1.221 3.391 3.130 1.00 0.00 O ATOM 741 CB THR A 76 1.193 1.351 2.044 1.00 0.00 C ATOM 742 OG1 THR A 76 2.141 1.153 1.010 1.00 0.00 O ATOM 743 CG2 THR A 76 -0.066 0.602 1.664 1.00 0.00 C ATOM 0 H THR A 76 3.030 2.889 2.619 1.00 0.00 H new ATOM 0 HA THR A 76 0.578 3.302 1.374 1.00 0.00 H new ATOM 0 HB THR A 76 1.557 0.957 2.993 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.036 1.378 1.339 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.170 -0.450 1.506 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.799 0.693 2.465 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.477 1.023 0.746 1.00 0.00 H new ATOM 751 N GLN A 77 0.340 2.780 4.631 1.00 0.00 N ATOM 752 CA GLN A 77 -0.552 2.919 5.776 1.00 0.00 C ATOM 753 C GLN A 77 -1.070 4.349 5.891 1.00 0.00 C ATOM 754 O GLN A 77 -2.184 4.581 6.361 1.00 0.00 O ATOM 755 CB GLN A 77 0.172 2.520 7.063 1.00 0.00 C ATOM 756 CG GLN A 77 0.357 1.019 7.219 1.00 0.00 C ATOM 757 CD GLN A 77 -0.537 0.429 8.292 1.00 0.00 C ATOM 758 OE1 GLN A 77 -1.703 0.803 8.420 1.00 0.00 O ATOM 759 NE2 GLN A 77 0.007 -0.499 9.072 1.00 0.00 N ATOM 0 H GLN A 77 1.286 2.481 4.867 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.403 2.255 5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.149 3.002 7.084 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.389 2.899 7.917 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.147 0.530 6.268 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.398 0.809 7.463 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.978 -0.779 8.931 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.546 -0.931 9.812 1.00 0.00 H new ATOM 768 N ARG A 78 -0.252 5.305 5.462 1.00 0.00 N ATOM 769 CA ARG A 78 -0.621 6.712 5.518 1.00 0.00 C ATOM 770 C ARG A 78 -1.412 7.120 4.276 1.00 0.00 C ATOM 771 O ARG A 78 -2.283 7.988 4.340 1.00 0.00 O ATOM 772 CB ARG A 78 0.641 7.569 5.654 1.00 0.00 C ATOM 773 CG ARG A 78 0.396 9.064 5.520 1.00 0.00 C ATOM 774 CD ARG A 78 0.578 9.784 6.847 1.00 0.00 C ATOM 775 NE ARG A 78 1.832 9.419 7.502 1.00 0.00 N ATOM 776 CZ ARG A 78 2.068 9.594 8.800 1.00 0.00 C ATOM 777 NH1 ARG A 78 1.142 10.129 9.585 1.00 0.00 N ATOM 778 NH2 ARG A 78 3.235 9.232 9.316 1.00 0.00 N ATOM 0 H ARG A 78 0.673 5.128 5.071 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.259 6.872 6.387 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.097 7.372 6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.360 7.260 4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.082 9.481 4.783 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.614 9.236 5.148 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.556 10.861 6.681 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.257 9.546 7.506 1.00 0.00 H new ATOM 0 HE ARG A 78 2.570 9.006 6.931 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.242 10.409 9.195 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.330 10.260 10.579 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.951 8.820 8.718 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.416 9.366 10.311 1.00 0.00 H new ATOM 792 N THR A 79 -1.101 6.493 3.146 1.00 0.00 N ATOM 793 CA THR A 79 -1.781 6.796 1.892 1.00 0.00 C ATOM 794 C THR A 79 -3.270 6.483 1.984 1.00 0.00 C ATOM 795 O THR A 79 -4.111 7.328 1.675 1.00 0.00 O ATOM 796 CB THR A 79 -1.152 6.007 0.743 1.00 0.00 C ATOM 797 OG1 THR A 79 -1.257 4.613 0.974 1.00 0.00 O ATOM 798 CG2 THR A 79 0.311 6.329 0.530 1.00 0.00 C ATOM 0 H THR A 79 -0.383 5.772 3.073 1.00 0.00 H new ATOM 0 HA THR A 79 -1.667 7.863 1.698 1.00 0.00 H new ATOM 0 HB THR A 79 -1.707 6.301 -0.148 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.289 4.443 1.939 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.697 5.736 -0.299 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.421 7.389 0.300 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.871 6.094 1.435 1.00 0.00 H new ATOM 806 N LEU A 80 -3.592 5.267 2.410 1.00 0.00 N ATOM 807 CA LEU A 80 -4.983 4.850 2.541 1.00 0.00 C ATOM 808 C LEU A 80 -5.715 5.716 3.562 1.00 0.00 C ATOM 809 O LEU A 80 -6.925 5.920 3.463 1.00 0.00 O ATOM 810 CB LEU A 80 -5.067 3.377 2.950 1.00 0.00 C ATOM 811 CG LEU A 80 -4.211 2.418 2.120 1.00 0.00 C ATOM 812 CD1 LEU A 80 -4.145 1.051 2.784 1.00 0.00 C ATOM 813 CD2 LEU A 80 -4.762 2.303 0.708 1.00 0.00 C ATOM 0 H LEU A 80 -2.910 4.554 2.670 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.464 4.974 1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.771 3.290 3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.107 3.058 2.886 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.199 2.818 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.532 0.382 2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.705 1.149 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.151 0.641 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.142 1.617 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.784 1.925 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.756 3.285 0.234 1.00 0.00 H new ATOM 825 N ASP A 81 -4.973 6.226 4.541 1.00 0.00 N ATOM 826 CA ASP A 81 -5.552 7.072 5.579 1.00 0.00 C ATOM 827 C ASP A 81 -6.206 8.308 4.968 1.00 0.00 C ATOM 828 O ASP A 81 -7.408 8.527 5.124 1.00 0.00 O ATOM 829 CB ASP A 81 -4.476 7.491 6.584 1.00 0.00 C ATOM 830 CG ASP A 81 -4.489 6.634 7.834 1.00 0.00 C ATOM 831 OD1 ASP A 81 -4.472 5.392 7.703 1.00 0.00 O ATOM 832 OD2 ASP A 81 -4.516 7.205 8.945 1.00 0.00 O ATOM 0 H ASP A 81 -3.970 6.068 4.637 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.318 6.497 6.099 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.496 7.425 6.112 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.627 8.534 6.860 1.00 0.00 H new ATOM 837 N MET A 82 -5.409 9.111 4.270 1.00 0.00 N ATOM 838 CA MET A 82 -5.912 10.323 3.632 1.00 0.00 C ATOM 839 C MET A 82 -7.063 10.000 2.684 1.00 0.00 C ATOM 840 O MET A 82 -7.926 10.840 2.429 1.00 0.00 O ATOM 841 CB MET A 82 -4.787 11.026 2.867 1.00 0.00 C ATOM 842 CG MET A 82 -3.699 11.588 3.767 1.00 0.00 C ATOM 843 SD MET A 82 -2.248 12.133 2.845 1.00 0.00 S ATOM 844 CE MET A 82 -1.681 10.580 2.156 1.00 0.00 C ATOM 0 H MET A 82 -4.412 8.944 4.132 1.00 0.00 H new ATOM 0 HA MET A 82 -6.283 10.988 4.412 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.339 10.321 2.166 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.212 11.837 2.275 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.100 12.427 4.335 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.401 10.828 4.489 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.609 10.476 2.326 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.206 9.755 2.637 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.882 10.562 1.085 1.00 0.00 H new ATOM 854 N ALA A 83 -7.067 8.776 2.163 1.00 0.00 N ATOM 855 CA ALA A 83 -8.110 8.340 1.243 1.00 0.00 C ATOM 856 C ALA A 83 -9.438 8.150 1.967 1.00 0.00 C ATOM 857 O ALA A 83 -10.454 8.722 1.575 1.00 0.00 O ATOM 858 CB ALA A 83 -7.695 7.051 0.550 1.00 0.00 C ATOM 0 H ALA A 83 -6.359 8.069 2.363 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.246 9.118 0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.483 6.736 -0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.774 7.218 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.530 6.274 1.296 1.00 0.00 H new ATOM 864 N ASP A 84 -9.423 7.343 3.024 1.00 0.00 N ATOM 865 CA ASP A 84 -10.630 7.076 3.802 1.00 0.00 C ATOM 866 C ASP A 84 -10.900 8.195 4.807 1.00 0.00 C ATOM 867 O ASP A 84 -11.127 7.939 5.990 1.00 0.00 O ATOM 868 CB ASP A 84 -10.501 5.738 4.532 1.00 0.00 C ATOM 869 CG ASP A 84 -11.814 4.983 4.591 1.00 0.00 C ATOM 870 OD1 ASP A 84 -12.717 5.418 5.337 1.00 0.00 O ATOM 871 OD2 ASP A 84 -11.940 3.956 3.891 1.00 0.00 O ATOM 0 H ASP A 84 -8.589 6.863 3.362 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.472 7.030 3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.754 5.124 4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.140 5.913 5.545 1.00 0.00 H new ATOM 876 N MET A 85 -10.877 9.437 4.330 1.00 0.00 N ATOM 877 CA MET A 85 -11.121 10.590 5.189 1.00 0.00 C ATOM 878 C MET A 85 -12.157 11.524 4.571 1.00 0.00 C ATOM 879 O MET A 85 -13.092 11.964 5.241 1.00 0.00 O ATOM 880 CB MET A 85 -9.816 11.349 5.435 1.00 0.00 C ATOM 881 CG MET A 85 -9.708 11.931 6.834 1.00 0.00 C ATOM 882 SD MET A 85 -9.260 10.694 8.067 1.00 0.00 S ATOM 883 CE MET A 85 -7.790 11.435 8.772 1.00 0.00 C ATOM 0 H MET A 85 -10.692 9.669 3.354 1.00 0.00 H new ATOM 0 HA MET A 85 -11.511 10.227 6.140 1.00 0.00 H new ATOM 0 HB2 MET A 85 -8.976 10.676 5.264 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.731 12.156 4.707 1.00 0.00 H new ATOM 0 HG2 MET A 85 -8.963 12.727 6.836 1.00 0.00 H new ATOM 0 HG3 MET A 85 -10.660 12.385 7.109 1.00 0.00 H new ATOM 0 HE1 MET A 85 -7.374 10.769 9.528 1.00 0.00 H new ATOM 0 HE2 MET A 85 -7.052 11.598 7.986 1.00 0.00 H new ATOM 0 HE3 MET A 85 -8.048 12.389 9.231 1.00 0.00 H new ATOM 893 N GLN A 86 -11.974 11.831 3.291 1.00 0.00 N ATOM 894 CA GLN A 86 -12.879 12.723 2.572 1.00 0.00 C ATOM 895 C GLN A 86 -14.305 12.172 2.524 1.00 0.00 C ATOM 896 O GLN A 86 -15.246 12.909 2.232 1.00 0.00 O ATOM 897 CB GLN A 86 -12.367 12.957 1.150 1.00 0.00 C ATOM 898 CG GLN A 86 -12.997 14.160 0.468 1.00 0.00 C ATOM 899 CD GLN A 86 -13.204 13.945 -1.019 1.00 0.00 C ATOM 900 OE1 GLN A 86 -12.246 13.905 -1.791 1.00 0.00 O ATOM 901 NE2 GLN A 86 -14.459 13.804 -1.428 1.00 0.00 N ATOM 0 H GLN A 86 -11.203 11.473 2.727 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.905 13.669 3.114 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.286 13.091 1.179 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.562 12.067 0.551 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.957 14.378 0.937 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.362 15.033 0.620 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -15.223 13.844 -0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.659 13.656 -2.417 1.00 0.00 H new ATOM 910 N HIS A 87 -14.461 10.881 2.804 1.00 0.00 N ATOM 911 CA HIS A 87 -15.779 10.251 2.784 1.00 0.00 C ATOM 912 C HIS A 87 -16.675 10.808 3.886 1.00 0.00 C ATOM 913 O HIS A 87 -16.966 10.125 4.868 1.00 0.00 O ATOM 914 CB HIS A 87 -15.659 8.736 2.942 1.00 0.00 C ATOM 915 CG HIS A 87 -14.747 8.091 1.949 1.00 0.00 C ATOM 916 ND1 HIS A 87 -13.389 7.982 2.141 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.008 7.499 0.759 1.00 0.00 C ATOM 918 CE1 HIS A 87 -12.851 7.351 1.114 1.00 0.00 C ATOM 919 NE2 HIS A 87 -13.811 7.047 0.262 1.00 0.00 N ATOM 0 H HIS A 87 -13.695 10.252 3.046 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.232 10.476 1.818 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.301 8.513 3.947 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -16.650 8.292 2.851 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -15.976 7.401 0.290 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -11.803 7.122 0.992 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -13.684 6.556 -0.623 1.00 0.00 H new ATOM 928 N ARG A 88 -17.113 12.050 3.718 1.00 0.00 N ATOM 929 CA ARG A 88 -17.978 12.696 4.700 1.00 0.00 C ATOM 930 C ARG A 88 -19.236 11.868 4.958 1.00 0.00 C ATOM 931 O ARG A 88 -19.879 12.009 5.998 1.00 0.00 O ATOM 932 CB ARG A 88 -18.371 14.097 4.225 1.00 0.00 C ATOM 933 CG ARG A 88 -17.229 14.873 3.586 1.00 0.00 C ATOM 934 CD ARG A 88 -17.355 16.365 3.846 1.00 0.00 C ATOM 935 NE ARG A 88 -18.363 16.987 2.991 1.00 0.00 N ATOM 936 CZ ARG A 88 -18.159 17.302 1.714 1.00 0.00 C ATOM 937 NH1 ARG A 88 -16.988 17.055 1.140 1.00 0.00 N ATOM 938 NH2 ARG A 88 -19.130 17.865 1.007 1.00 0.00 N ATOM 0 H ARG A 88 -16.884 12.631 2.911 1.00 0.00 H new ATOM 0 HA ARG A 88 -17.420 12.775 5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -19.186 14.011 3.506 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -18.753 14.664 5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -16.278 14.513 3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -17.219 14.689 2.512 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.615 16.530 4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -16.391 16.845 3.678 1.00 0.00 H new ATOM 0 HE ARG A 88 -19.276 17.192 3.396 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.238 16.621 1.678 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.838 17.299 0.161 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -20.033 18.056 1.442 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -18.974 18.107 0.028 1.00 0.00 H new ATOM 952 N TYR A 89 -19.591 11.012 4.002 1.00 0.00 N ATOM 953 CA TYR A 89 -20.780 10.175 4.130 1.00 0.00 C ATOM 954 C TYR A 89 -20.429 8.753 4.565 1.00 0.00 C ATOM 955 O TYR A 89 -21.217 8.095 5.244 1.00 0.00 O ATOM 956 CB TYR A 89 -21.541 10.135 2.803 1.00 0.00 C ATOM 957 CG TYR A 89 -22.071 11.481 2.365 1.00 0.00 C ATOM 958 CD1 TYR A 89 -23.331 11.915 2.760 1.00 0.00 C ATOM 959 CD2 TYR A 89 -21.314 12.317 1.554 1.00 0.00 C ATOM 960 CE1 TYR A 89 -23.820 13.144 2.360 1.00 0.00 C ATOM 961 CE2 TYR A 89 -21.796 13.548 1.150 1.00 0.00 C ATOM 962 CZ TYR A 89 -23.049 13.956 1.556 1.00 0.00 C ATOM 963 OH TYR A 89 -23.532 15.180 1.155 1.00 0.00 O ATOM 0 H TYR A 89 -19.073 10.881 3.133 1.00 0.00 H new ATOM 0 HA TYR A 89 -21.410 10.617 4.902 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -20.882 9.745 2.028 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -22.374 9.438 2.893 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -23.938 11.281 3.390 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -20.333 12.000 1.234 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -24.801 13.467 2.676 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -21.195 14.187 0.520 1.00 0.00 H new ATOM 0 HH TYR A 89 -22.865 15.627 0.594 1.00 0.00 H new ATOM 973 N MET A 90 -19.254 8.276 4.164 1.00 0.00 N ATOM 974 CA MET A 90 -18.826 6.923 4.513 1.00 0.00 C ATOM 975 C MET A 90 -18.028 6.905 5.814 1.00 0.00 C ATOM 976 O MET A 90 -18.327 6.130 6.722 1.00 0.00 O ATOM 977 CB MET A 90 -17.991 6.304 3.386 1.00 0.00 C ATOM 978 CG MET A 90 -18.363 6.794 1.993 1.00 0.00 C ATOM 979 SD MET A 90 -20.016 6.282 1.488 1.00 0.00 S ATOM 980 CE MET A 90 -20.237 7.282 0.019 1.00 0.00 C ATOM 0 H MET A 90 -18.585 8.801 3.601 1.00 0.00 H new ATOM 0 HA MET A 90 -19.729 6.328 4.655 1.00 0.00 H new ATOM 0 HB2 MET A 90 -16.938 6.522 3.567 1.00 0.00 H new ATOM 0 HB3 MET A 90 -18.102 5.220 3.420 1.00 0.00 H new ATOM 0 HG2 MET A 90 -18.301 7.882 1.967 1.00 0.00 H new ATOM 0 HG3 MET A 90 -17.636 6.417 1.274 1.00 0.00 H new ATOM 0 HE1 MET A 90 -21.230 7.107 -0.394 1.00 0.00 H new ATOM 0 HE2 MET A 90 -20.132 8.336 0.277 1.00 0.00 H new ATOM 0 HE3 MET A 90 -19.484 7.013 -0.721 1.00 0.00 H new ATOM 990 N THR A 91 -17.008 7.756 5.902 1.00 0.00 N ATOM 991 CA THR A 91 -16.174 7.821 7.098 1.00 0.00 C ATOM 992 C THR A 91 -16.388 9.134 7.846 1.00 0.00 C ATOM 993 O THR A 91 -17.357 9.850 7.597 1.00 0.00 O ATOM 994 CB THR A 91 -14.695 7.649 6.731 1.00 0.00 C ATOM 995 OG1 THR A 91 -13.911 7.449 7.894 1.00 0.00 O ATOM 996 CG2 THR A 91 -14.111 8.830 5.984 1.00 0.00 C ATOM 0 H THR A 91 -16.741 8.407 5.163 1.00 0.00 H new ATOM 0 HA THR A 91 -16.467 7.005 7.758 1.00 0.00 H new ATOM 0 HB THR A 91 -14.665 6.779 6.074 1.00 0.00 H new ATOM 0 HG1 THR A 91 -12.971 7.340 7.640 1.00 0.00 H new ATOM 0 HG21 THR A 91 -13.062 8.636 5.759 1.00 0.00 H new ATOM 0 HG22 THR A 91 -14.660 8.980 5.054 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.190 9.725 6.600 1.00 0.00 H new ATOM 1004 N GLY A 92 -15.480 9.440 8.768 1.00 0.00 N ATOM 1005 CA GLY A 92 -15.593 10.662 9.542 1.00 0.00 C ATOM 1006 C GLY A 92 -14.791 11.804 8.951 1.00 0.00 C ATOM 1007 O GLY A 92 -13.573 11.870 9.117 1.00 0.00 O ATOM 0 H GLY A 92 -14.669 8.864 8.992 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -16.642 10.953 9.603 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.254 10.475 10.561 1.00 0.00 H new ATOM 1011 N ALA A 93 -15.479 12.708 8.261 1.00 0.00 N ATOM 1012 CA ALA A 93 -14.830 13.857 7.641 1.00 0.00 C ATOM 1013 C ALA A 93 -14.848 15.073 8.565 1.00 0.00 C ATOM 1014 O ALA A 93 -14.956 16.210 8.106 1.00 0.00 O ATOM 1015 CB ALA A 93 -15.503 14.191 6.319 1.00 0.00 C ATOM 0 H ALA A 93 -16.488 12.667 8.117 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.789 13.593 7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -15.009 15.051 5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.430 13.336 5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.553 14.427 6.494 1.00 0.00 H new ATOM 1021 N SER A 94 -14.742 14.827 9.867 1.00 0.00 N ATOM 1022 CA SER A 94 -14.746 15.903 10.851 1.00 0.00 C ATOM 1023 C SER A 94 -13.317 16.235 11.295 1.00 0.00 C ATOM 1024 O SER A 94 -12.516 16.711 10.491 1.00 0.00 O ATOM 1025 CB SER A 94 -15.621 15.522 12.048 1.00 0.00 C ATOM 1026 OG SER A 94 -15.274 14.242 12.547 1.00 0.00 O ATOM 0 H SER A 94 -14.652 13.892 10.265 1.00 0.00 H new ATOM 0 HA SER A 94 -15.168 16.797 10.391 1.00 0.00 H new ATOM 0 HB2 SER A 94 -15.508 16.266 12.837 1.00 0.00 H new ATOM 0 HB3 SER A 94 -16.670 15.528 11.752 1.00 0.00 H new ATOM 0 HG SER A 94 -15.846 14.023 13.312 1.00 0.00 H new ATOM 1032 N GLY A 95 -12.996 15.989 12.568 1.00 0.00 N ATOM 1033 CA GLY A 95 -11.661 16.276 13.062 1.00 0.00 C ATOM 1034 C GLY A 95 -10.598 15.441 12.375 1.00 0.00 C ATOM 1035 O GLY A 95 -10.088 14.477 12.947 1.00 0.00 O ATOM 0 H GLY A 95 -13.635 15.598 13.260 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.441 17.333 12.913 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.626 16.091 14.136 1.00 0.00 H new ATOM 1039 N ILE A 96 -10.270 15.810 11.143 1.00 0.00 N ATOM 1040 CA ILE A 96 -9.267 15.091 10.367 1.00 0.00 C ATOM 1041 C ILE A 96 -8.061 15.977 10.069 1.00 0.00 C ATOM 1042 O ILE A 96 -7.980 17.111 10.540 1.00 0.00 O ATOM 1043 CB ILE A 96 -9.855 14.581 9.038 1.00 0.00 C ATOM 1044 CG1 ILE A 96 -10.406 15.748 8.216 1.00 0.00 C ATOM 1045 CG2 ILE A 96 -10.945 13.553 9.303 1.00 0.00 C ATOM 1046 CD1 ILE A 96 -10.426 15.481 6.727 1.00 0.00 C ATOM 0 H ILE A 96 -10.685 16.606 10.658 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.947 14.241 10.969 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.060 14.102 8.466 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -11.419 15.971 8.551 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -9.803 16.635 8.410 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -11.352 13.201 8.355 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.525 12.711 9.853 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -11.741 14.010 9.892 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -10.828 16.350 6.207 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.412 15.287 6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -11.052 14.613 6.521 1.00 0.00 H new ATOM 1058 N ASN A 97 -7.125 15.451 9.280 1.00 0.00 N ATOM 1059 CA ASN A 97 -5.921 16.192 8.913 1.00 0.00 C ATOM 1060 C ASN A 97 -6.269 17.607 8.453 1.00 0.00 C ATOM 1061 O ASN A 97 -7.435 17.919 8.213 1.00 0.00 O ATOM 1062 CB ASN A 97 -5.170 15.456 7.802 1.00 0.00 C ATOM 1063 CG ASN A 97 -6.069 15.112 6.630 1.00 0.00 C ATOM 1064 OD1 ASN A 97 -6.422 16.120 5.839 1.00 0.00 O flip ATOM 1065 ND2 ASN A 97 -6.441 13.955 6.436 1.00 0.00 N flip ATOM 0 H ASN A 97 -7.178 14.513 8.883 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.284 16.263 9.794 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.343 16.075 7.453 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.735 14.541 8.205 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.146 13.211 7.069 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.044 13.740 5.642 1.00 0.00 H new ATOM 1072 N PRO A 98 -5.260 18.486 8.326 1.00 0.00 N ATOM 1073 CA PRO A 98 -5.466 19.875 7.896 1.00 0.00 C ATOM 1074 C PRO A 98 -5.874 19.980 6.426 1.00 0.00 C ATOM 1075 O PRO A 98 -5.251 20.706 5.651 1.00 0.00 O ATOM 1076 CB PRO A 98 -4.095 20.536 8.118 1.00 0.00 C ATOM 1077 CG PRO A 98 -3.306 19.566 8.934 1.00 0.00 C ATOM 1078 CD PRO A 98 -3.845 18.208 8.596 1.00 0.00 C ATOM 0 HA PRO A 98 -6.276 20.349 8.451 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -3.601 20.741 7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -4.199 21.489 8.636 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.243 19.633 8.701 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.412 19.774 9.999 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -3.344 17.777 7.730 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -3.720 17.505 9.420 1.00 0.00 H new ATOM 1086 N GLY A 99 -6.929 19.257 6.049 1.00 0.00 N ATOM 1087 CA GLY A 99 -7.409 19.286 4.676 1.00 0.00 C ATOM 1088 C GLY A 99 -6.293 19.208 3.649 1.00 0.00 C ATOM 1089 O GLY A 99 -5.837 20.231 3.140 1.00 0.00 O ATOM 0 H GLY A 99 -7.461 18.650 6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.096 18.454 4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.977 20.202 4.516 1.00 0.00 H new ATOM 1093 N MET A 100 -5.856 17.991 3.342 1.00 0.00 N ATOM 1094 CA MET A 100 -4.793 17.785 2.366 1.00 0.00 C ATOM 1095 C MET A 100 -5.368 17.703 0.954 1.00 0.00 C ATOM 1096 O MET A 100 -6.579 17.807 0.762 1.00 0.00 O ATOM 1097 CB MET A 100 -3.993 16.517 2.703 1.00 0.00 C ATOM 1098 CG MET A 100 -4.556 15.233 2.103 1.00 0.00 C ATOM 1099 SD MET A 100 -6.175 14.798 2.767 1.00 0.00 S ATOM 1100 CE MET A 100 -7.149 14.722 1.266 1.00 0.00 C ATOM 0 H MET A 100 -6.222 17.133 3.755 1.00 0.00 H new ATOM 0 HA MET A 100 -4.116 18.638 2.408 1.00 0.00 H new ATOM 0 HB2 MET A 100 -2.968 16.646 2.355 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.950 16.408 3.787 1.00 0.00 H new ATOM 0 HG2 MET A 100 -4.631 15.346 1.021 1.00 0.00 H new ATOM 0 HG3 MET A 100 -3.860 14.415 2.291 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.155 14.377 1.502 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.202 15.713 0.816 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.683 14.030 0.565 1.00 0.00 H new ATOM 1110 N LEU A 101 -4.495 17.516 -0.031 1.00 0.00 N ATOM 1111 CA LEU A 101 -4.929 17.421 -1.420 1.00 0.00 C ATOM 1112 C LEU A 101 -5.895 16.250 -1.603 1.00 0.00 C ATOM 1113 O LEU A 101 -5.642 15.147 -1.120 1.00 0.00 O ATOM 1114 CB LEU A 101 -3.723 17.259 -2.349 1.00 0.00 C ATOM 1115 CG LEU A 101 -2.522 18.151 -2.017 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -1.474 18.065 -3.116 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -2.966 19.593 -1.815 1.00 0.00 C ATOM 0 H LEU A 101 -3.488 17.428 0.106 1.00 0.00 H new ATOM 0 HA LEU A 101 -5.448 18.344 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.401 16.218 -2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.040 17.469 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.077 17.795 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.628 18.705 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.133 17.034 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.909 18.394 -4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.099 20.211 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.437 19.960 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.680 19.642 -0.993 1.00 0.00 H new ATOM 1129 N PRO A 102 -7.025 16.474 -2.298 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.030 15.430 -2.529 1.00 0.00 C ATOM 1131 C PRO A 102 -7.455 14.194 -3.214 1.00 0.00 C ATOM 1132 O PRO A 102 -8.010 13.100 -3.102 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.055 16.110 -3.441 1.00 0.00 C ATOM 1134 CG PRO A 102 -8.878 17.568 -3.198 1.00 0.00 C ATOM 1135 CD PRO A 102 -7.418 17.760 -2.903 1.00 0.00 C ATOM 0 HA PRO A 102 -8.445 15.064 -1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.880 15.860 -4.487 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.069 15.790 -3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.180 18.149 -4.069 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.493 17.903 -2.363 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.848 17.970 -3.808 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.251 18.594 -2.221 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.351 14.370 -3.932 1.00 0.00 N ATOM 1144 CA HIS A 103 -5.723 13.260 -4.641 1.00 0.00 C ATOM 1145 C HIS A 103 -4.458 12.768 -3.932 1.00 0.00 C ATOM 1146 O HIS A 103 -3.896 11.738 -4.303 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.403 13.664 -6.085 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.168 14.504 -6.230 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -3.657 15.279 -5.210 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -3.342 14.686 -7.288 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -2.571 15.900 -5.635 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -2.358 15.557 -6.891 1.00 0.00 N ATOM 0 H HIS A 103 -5.874 15.265 -4.039 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.434 12.434 -4.649 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.288 12.762 -6.686 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.252 14.212 -6.493 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -3.439 14.231 -8.262 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -1.961 16.574 -5.053 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -1.587 15.886 -7.473 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.012 13.501 -2.914 1.00 0.00 N ATOM 1162 CA GLU A 104 -2.813 13.119 -2.170 1.00 0.00 C ATOM 1163 C GLU A 104 -2.899 11.670 -1.697 1.00 0.00 C ATOM 1164 O GLU A 104 -1.883 10.992 -1.552 1.00 0.00 O ATOM 1165 CB GLU A 104 -2.610 14.044 -0.968 1.00 0.00 C ATOM 1166 CG GLU A 104 -1.525 15.087 -1.179 1.00 0.00 C ATOM 1167 CD GLU A 104 -0.138 14.556 -0.872 1.00 0.00 C ATOM 1168 OE1 GLU A 104 0.282 14.637 0.302 1.00 0.00 O ATOM 1169 OE2 GLU A 104 0.528 14.061 -1.805 1.00 0.00 O ATOM 0 H GLU A 104 -4.459 14.357 -2.587 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.960 13.215 -2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.550 14.549 -0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.358 13.442 -0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.557 15.435 -2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.728 15.950 -0.545 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.119 11.206 -1.451 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.338 9.840 -0.986 1.00 0.00 C ATOM 1178 C ASN A 105 -4.259 8.841 -2.137 1.00 0.00 C ATOM 1179 O ASN A 105 -3.508 7.869 -2.075 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.695 9.726 -0.288 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.813 10.386 -1.071 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.244 9.879 -2.106 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.287 11.525 -0.580 1.00 0.00 N ATOM 0 H ASN A 105 -4.971 11.755 -1.565 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.548 9.601 -0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.934 8.673 -0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.630 10.182 0.700 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.039 12.016 -1.065 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.900 11.909 0.282 1.00 0.00 H new ATOM 1190 N VAL A 106 -5.044 9.082 -3.183 1.00 0.00 N ATOM 1191 CA VAL A 106 -5.067 8.195 -4.341 1.00 0.00 C ATOM 1192 C VAL A 106 -3.716 8.167 -5.049 1.00 0.00 C ATOM 1193 O VAL A 106 -3.207 7.100 -5.391 1.00 0.00 O ATOM 1194 CB VAL A 106 -6.157 8.612 -5.347 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -7.536 8.518 -4.713 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -5.899 10.017 -5.869 1.00 0.00 C ATOM 0 H VAL A 106 -5.672 9.883 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.292 7.197 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.122 7.924 -6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.292 8.817 -5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.722 7.492 -4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.584 9.178 -3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.680 10.291 -6.578 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.901 10.721 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.930 10.048 -6.367 1.00 0.00 H new ATOM 1206 N ASP A 107 -3.139 9.345 -5.269 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.848 9.449 -5.939 1.00 0.00 C ATOM 1208 C ASP A 107 -0.774 8.683 -5.172 1.00 0.00 C ATOM 1209 O ASP A 107 -0.106 7.808 -5.724 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.442 10.917 -6.086 1.00 0.00 C ATOM 1211 CG ASP A 107 -0.989 11.254 -7.493 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -1.825 11.188 -8.418 1.00 0.00 O ATOM 1213 OD2 ASP A 107 0.203 11.583 -7.670 1.00 0.00 O ATOM 0 H ASP A 107 -3.545 10.239 -4.993 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.944 9.007 -6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.285 11.553 -5.817 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.638 11.141 -5.385 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.615 9.018 -3.897 1.00 0.00 N ATOM 1219 CA ASP A 108 0.377 8.361 -3.055 1.00 0.00 C ATOM 1220 C ASP A 108 0.072 6.873 -2.909 1.00 0.00 C ATOM 1221 O ASP A 108 0.973 6.068 -2.673 1.00 0.00 O ATOM 1222 CB ASP A 108 0.428 9.024 -1.677 1.00 0.00 C ATOM 1223 CG ASP A 108 1.826 9.032 -1.090 1.00 0.00 C ATOM 1224 OD1 ASP A 108 2.708 9.701 -1.668 1.00 0.00 O ATOM 1225 OD2 ASP A 108 2.038 8.369 -0.053 1.00 0.00 O ATOM 0 H ASP A 108 -1.159 9.740 -3.424 1.00 0.00 H new ATOM 0 HA ASP A 108 1.350 8.466 -3.536 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.064 10.049 -1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.245 8.499 -0.999 1.00 0.00 H new ATOM 1230 N MET A 109 -1.200 6.511 -3.052 1.00 0.00 N ATOM 1231 CA MET A 109 -1.609 5.116 -2.936 1.00 0.00 C ATOM 1232 C MET A 109 -0.970 4.276 -4.035 1.00 0.00 C ATOM 1233 O MET A 109 -0.372 3.234 -3.767 1.00 0.00 O ATOM 1234 CB MET A 109 -3.134 4.997 -3.003 1.00 0.00 C ATOM 1235 CG MET A 109 -3.756 4.455 -1.725 1.00 0.00 C ATOM 1236 SD MET A 109 -4.981 5.571 -1.015 1.00 0.00 S ATOM 1237 CE MET A 109 -6.442 5.095 -1.935 1.00 0.00 C ATOM 0 H MET A 109 -1.961 7.161 -3.247 1.00 0.00 H new ATOM 0 HA MET A 109 -1.270 4.741 -1.970 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.558 5.978 -3.217 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.404 4.345 -3.834 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.225 3.494 -1.934 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.970 4.273 -0.993 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.717 5.896 -2.621 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.235 4.187 -2.502 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.264 4.911 -1.243 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.095 4.741 -5.274 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.524 4.036 -6.416 1.00 0.00 C ATOM 1249 C ARG A 110 0.981 3.864 -6.243 1.00 0.00 C ATOM 1250 O ARG A 110 1.569 2.902 -6.735 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.817 4.791 -7.715 1.00 0.00 C ATOM 1252 CG ARG A 110 -2.222 5.367 -7.784 1.00 0.00 C ATOM 1253 CD ARG A 110 -2.830 5.199 -9.168 1.00 0.00 C ATOM 1254 NE ARG A 110 -3.050 3.794 -9.503 1.00 0.00 N ATOM 1255 CZ ARG A 110 -3.842 3.383 -10.491 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -4.491 4.265 -11.242 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -3.986 2.087 -10.729 1.00 0.00 N ATOM 0 H ARG A 110 -1.586 5.602 -5.513 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.985 3.050 -6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.096 5.601 -7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.669 4.116 -8.558 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.855 4.874 -7.046 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -2.195 6.425 -7.524 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.778 5.735 -9.215 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.171 5.650 -9.910 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.569 3.087 -8.947 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.384 5.264 -11.063 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.096 3.944 -11.998 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.490 1.405 -10.155 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.593 1.772 -11.486 1.00 0.00 H new ATOM 1271 N SER A 111 1.599 4.804 -5.536 1.00 0.00 N ATOM 1272 CA SER A 111 3.036 4.756 -5.293 1.00 0.00 C ATOM 1273 C SER A 111 3.403 3.530 -4.462 1.00 0.00 C ATOM 1274 O SER A 111 4.430 2.892 -4.698 1.00 0.00 O ATOM 1275 CB SER A 111 3.497 6.028 -4.579 1.00 0.00 C ATOM 1276 OG SER A 111 2.977 7.185 -5.211 1.00 0.00 O ATOM 0 H SER A 111 1.128 5.608 -5.121 1.00 0.00 H new ATOM 0 HA SER A 111 3.542 4.687 -6.256 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.174 6.002 -3.538 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.586 6.071 -4.574 1.00 0.00 H new ATOM 0 HG SER A 111 3.285 7.984 -4.735 1.00 0.00 H new ATOM 1282 N ALA A 112 2.557 3.205 -3.490 1.00 0.00 N ATOM 1283 CA ALA A 112 2.792 2.055 -2.626 1.00 0.00 C ATOM 1284 C ALA A 112 2.877 0.768 -3.439 1.00 0.00 C ATOM 1285 O ALA A 112 3.769 -0.052 -3.226 1.00 0.00 O ATOM 1286 CB ALA A 112 1.696 1.949 -1.576 1.00 0.00 C ATOM 0 H ALA A 112 1.703 3.722 -3.281 1.00 0.00 H new ATOM 0 HA ALA A 112 3.747 2.199 -2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.885 1.085 -0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.686 2.854 -0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.731 1.832 -2.068 1.00 0.00 H new ATOM 1292 N ILE A 113 1.945 0.597 -4.373 1.00 0.00 N ATOM 1293 CA ILE A 113 1.926 -0.593 -5.214 1.00 0.00 C ATOM 1294 C ILE A 113 3.186 -0.674 -6.072 1.00 0.00 C ATOM 1295 O ILE A 113 3.613 -1.759 -6.462 1.00 0.00 O ATOM 1296 CB ILE A 113 0.667 -0.635 -6.114 1.00 0.00 C ATOM 1297 CG1 ILE A 113 0.178 -2.077 -6.269 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.938 -0.015 -7.480 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -0.898 -2.460 -5.278 1.00 0.00 C ATOM 0 H ILE A 113 1.198 1.264 -4.565 1.00 0.00 H new ATOM 0 HA ILE A 113 1.896 -1.457 -4.550 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.112 -0.045 -5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.205 -2.216 -7.280 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.025 -2.754 -6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.033 -0.061 -8.086 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.238 1.025 -7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.737 -0.565 -7.977 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.196 -3.495 -5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.513 -2.354 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.761 -1.808 -5.408 1.00 0.00 H new ATOM 1311 N THR A 114 3.781 0.481 -6.359 1.00 0.00 N ATOM 1312 CA THR A 114 4.996 0.529 -7.163 1.00 0.00 C ATOM 1313 C THR A 114 6.107 -0.259 -6.481 1.00 0.00 C ATOM 1314 O THR A 114 6.857 -0.989 -7.129 1.00 0.00 O ATOM 1315 CB THR A 114 5.437 1.977 -7.382 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.378 2.748 -7.921 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.621 2.107 -8.317 1.00 0.00 C ATOM 0 H THR A 114 3.442 1.391 -6.048 1.00 0.00 H new ATOM 0 HA THR A 114 4.787 0.079 -8.134 1.00 0.00 H new ATOM 0 HB THR A 114 5.730 2.342 -6.397 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.679 3.671 -8.052 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.882 3.159 -8.429 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.471 1.564 -7.905 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.363 1.692 -9.291 1.00 0.00 H new ATOM 1325 N ASP A 115 6.196 -0.114 -5.162 1.00 0.00 N ATOM 1326 CA ASP A 115 7.203 -0.819 -4.381 1.00 0.00 C ATOM 1327 C ASP A 115 6.720 -2.223 -4.034 1.00 0.00 C ATOM 1328 O ASP A 115 7.480 -3.189 -4.107 1.00 0.00 O ATOM 1329 CB ASP A 115 7.524 -0.043 -3.101 1.00 0.00 C ATOM 1330 CG ASP A 115 9.015 0.090 -2.864 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.650 0.934 -3.530 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.549 -0.651 -2.011 1.00 0.00 O ATOM 0 H ASP A 115 5.581 0.487 -4.613 1.00 0.00 H new ATOM 0 HA ASP A 115 8.110 -0.899 -4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.078 0.950 -3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 115 7.067 -0.547 -2.249 1.00 0.00 H new ATOM 1337 N TRP A 116 5.447 -2.328 -3.661 1.00 0.00 N ATOM 1338 CA TRP A 116 4.856 -3.613 -3.309 1.00 0.00 C ATOM 1339 C TRP A 116 4.859 -4.553 -4.509 1.00 0.00 C ATOM 1340 O TRP A 116 5.262 -5.711 -4.403 1.00 0.00 O ATOM 1341 CB TRP A 116 3.426 -3.418 -2.803 1.00 0.00 C ATOM 1342 CG TRP A 116 3.349 -3.152 -1.331 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.320 -1.933 -0.719 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.294 -4.128 -0.285 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.249 -2.090 0.644 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.232 -3.429 0.935 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.290 -5.526 -0.261 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.167 -4.080 2.164 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.225 -6.171 0.959 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.165 -5.448 2.158 1.00 0.00 C ATOM 0 H TRP A 116 4.806 -1.537 -3.595 1.00 0.00 H new ATOM 0 HA TRP A 116 5.456 -4.059 -2.516 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.968 -2.587 -3.340 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.841 -4.308 -3.035 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.349 -0.983 -1.231 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.215 -1.334 1.328 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.337 -6.092 -1.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.120 -3.525 3.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.220 -7.251 0.989 1.00 0.00 H new ATOM 0 HH2 TRP A 116 3.116 -5.981 3.096 1.00 0.00 H new ATOM 1361 N SER A 117 4.412 -4.043 -5.653 1.00 0.00 N ATOM 1362 CA SER A 117 4.369 -4.833 -6.878 1.00 0.00 C ATOM 1363 C SER A 117 5.754 -5.379 -7.209 1.00 0.00 C ATOM 1364 O SER A 117 5.920 -6.573 -7.462 1.00 0.00 O ATOM 1365 CB SER A 117 3.849 -3.988 -8.042 1.00 0.00 C ATOM 1366 OG SER A 117 3.676 -4.775 -9.207 1.00 0.00 O ATOM 0 H SER A 117 4.075 -3.086 -5.757 1.00 0.00 H new ATOM 0 HA SER A 117 3.689 -5.670 -6.721 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.900 -3.528 -7.766 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.548 -3.177 -8.248 1.00 0.00 H new ATOM 0 HG SER A 117 3.341 -4.212 -9.936 1.00 0.00 H new ATOM 1372 N ASP A 118 6.747 -4.495 -7.192 1.00 0.00 N ATOM 1373 CA ASP A 118 8.121 -4.887 -7.478 1.00 0.00 C ATOM 1374 C ASP A 118 8.591 -5.943 -6.485 1.00 0.00 C ATOM 1375 O ASP A 118 9.395 -6.812 -6.819 1.00 0.00 O ATOM 1376 CB ASP A 118 9.045 -3.669 -7.424 1.00 0.00 C ATOM 1377 CG ASP A 118 10.405 -3.947 -8.034 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.556 -3.756 -9.259 1.00 0.00 O ATOM 1379 OD2 ASP A 118 11.318 -4.357 -7.288 1.00 0.00 O ATOM 0 H ASP A 118 6.625 -3.504 -6.983 1.00 0.00 H new ATOM 0 HA ASP A 118 8.156 -5.310 -8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.577 -2.838 -7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.172 -3.358 -6.387 1.00 0.00 H new ATOM 1384 N MET A 119 8.074 -5.863 -5.261 1.00 0.00 N ATOM 1385 CA MET A 119 8.432 -6.815 -4.218 1.00 0.00 C ATOM 1386 C MET A 119 7.791 -8.170 -4.489 1.00 0.00 C ATOM 1387 O MET A 119 8.362 -9.212 -4.171 1.00 0.00 O ATOM 1388 CB MET A 119 7.993 -6.296 -2.848 1.00 0.00 C ATOM 1389 CG MET A 119 8.587 -7.075 -1.685 1.00 0.00 C ATOM 1390 SD MET A 119 8.218 -6.327 -0.087 1.00 0.00 S ATOM 1391 CE MET A 119 9.855 -6.253 0.635 1.00 0.00 C ATOM 0 H MET A 119 7.407 -5.149 -4.970 1.00 0.00 H new ATOM 0 HA MET A 119 9.516 -6.932 -4.220 1.00 0.00 H new ATOM 0 HB2 MET A 119 8.279 -5.248 -2.757 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.906 -6.337 -2.784 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.202 -8.095 -1.702 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.668 -7.140 -1.811 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.835 -5.613 1.517 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.172 -7.256 0.922 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.556 -5.845 -0.093 1.00 0.00 H new ATOM 1401 N ARG A 120 6.603 -8.150 -5.084 1.00 0.00 N ATOM 1402 CA ARG A 120 5.891 -9.382 -5.402 1.00 0.00 C ATOM 1403 C ARG A 120 6.766 -10.304 -6.245 1.00 0.00 C ATOM 1404 O ARG A 120 6.834 -11.509 -6.002 1.00 0.00 O ATOM 1405 CB ARG A 120 4.589 -9.066 -6.144 1.00 0.00 C ATOM 1406 CG ARG A 120 3.353 -9.652 -5.480 1.00 0.00 C ATOM 1407 CD ARG A 120 2.330 -10.106 -6.508 1.00 0.00 C ATOM 1408 NE ARG A 120 1.032 -10.389 -5.901 1.00 0.00 N ATOM 1409 CZ ARG A 120 -0.022 -10.836 -6.580 1.00 0.00 C ATOM 1410 NH1 ARG A 120 0.064 -11.050 -7.887 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -1.166 -11.068 -5.951 1.00 0.00 N ATOM 0 H ARG A 120 6.114 -7.297 -5.355 1.00 0.00 H new ATOM 0 HA ARG A 120 5.650 -9.891 -4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.475 -7.984 -6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.659 -9.447 -7.163 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.641 -10.497 -4.854 1.00 0.00 H new ATOM 0 HG3 ARG A 120 2.904 -8.907 -4.823 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.214 -9.334 -7.269 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.696 -11.000 -7.014 1.00 0.00 H new ATOM 0 HE ARG A 120 0.927 -10.235 -4.898 1.00 0.00 H new ATOM 0 HH11 ARG A 120 0.941 -10.872 -8.376 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -0.747 -11.393 -8.402 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -1.238 -10.904 -4.947 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -1.974 -11.411 -6.471 1.00 0.00 H new ATOM 1425 N GLU A 121 7.439 -9.724 -7.234 1.00 0.00 N ATOM 1426 CA GLU A 121 8.317 -10.488 -8.112 1.00 0.00 C ATOM 1427 C GLU A 121 9.698 -10.659 -7.485 1.00 0.00 C ATOM 1428 O GLU A 121 10.337 -11.699 -7.641 1.00 0.00 O ATOM 1429 CB GLU A 121 8.444 -9.795 -9.470 1.00 0.00 C ATOM 1430 CG GLU A 121 7.227 -9.976 -10.362 1.00 0.00 C ATOM 1431 CD GLU A 121 6.928 -8.746 -11.196 1.00 0.00 C ATOM 1432 OE1 GLU A 121 6.971 -7.627 -10.642 1.00 0.00 O ATOM 1433 OE2 GLU A 121 6.650 -8.901 -12.404 1.00 0.00 O ATOM 0 H GLU A 121 7.393 -8.728 -7.447 1.00 0.00 H new ATOM 0 HA GLU A 121 7.877 -11.475 -8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.612 -8.730 -9.311 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.323 -10.183 -9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.389 -10.828 -11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.360 -10.211 -9.744 1.00 0.00 H new ATOM 1440 N ALA A 122 10.151 -9.630 -6.774 1.00 0.00 N ATOM 1441 CA ALA A 122 11.455 -9.665 -6.121 1.00 0.00 C ATOM 1442 C ALA A 122 11.462 -10.652 -4.959 1.00 0.00 C ATOM 1443 O ALA A 122 12.237 -11.608 -4.946 1.00 0.00 O ATOM 1444 CB ALA A 122 11.837 -8.275 -5.636 1.00 0.00 C ATOM 0 H ALA A 122 9.634 -8.762 -6.636 1.00 0.00 H new ATOM 0 HA ALA A 122 12.191 -10.000 -6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.812 -8.314 -5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.882 -7.593 -6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.091 -7.920 -4.924 1.00 0.00 H new ATOM 1450 N LEU A 123 10.592 -10.411 -3.983 1.00 0.00 N ATOM 1451 CA LEU A 123 10.492 -11.274 -2.811 1.00 0.00 C ATOM 1452 C LEU A 123 10.280 -12.730 -3.218 1.00 0.00 C ATOM 1453 O LEU A 123 10.915 -13.634 -2.676 1.00 0.00 O ATOM 1454 CB LEU A 123 9.343 -10.809 -1.910 1.00 0.00 C ATOM 1455 CG LEU A 123 9.634 -10.848 -0.409 1.00 0.00 C ATOM 1456 CD1 LEU A 123 10.913 -10.087 -0.093 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.463 -10.273 0.373 1.00 0.00 C ATOM 0 H LEU A 123 9.944 -9.623 -3.981 1.00 0.00 H new ATOM 0 HA LEU A 123 11.430 -11.207 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.077 -9.789 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.471 -11.431 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 123 9.771 -11.887 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.104 -10.126 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.748 -10.541 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.805 -9.048 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.686 -10.308 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.296 -9.239 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.567 -10.859 0.170 1.00 0.00 H new ATOM 1469 N GLN A 124 9.385 -12.950 -4.176 1.00 0.00 N ATOM 1470 CA GLN A 124 9.092 -14.297 -4.654 1.00 0.00 C ATOM 1471 C GLN A 124 10.346 -14.965 -5.209 1.00 0.00 C ATOM 1472 O GLN A 124 10.668 -16.098 -4.850 1.00 0.00 O ATOM 1473 CB GLN A 124 8.006 -14.254 -5.731 1.00 0.00 C ATOM 1474 CG GLN A 124 6.594 -14.340 -5.174 1.00 0.00 C ATOM 1475 CD GLN A 124 5.596 -14.852 -6.195 1.00 0.00 C ATOM 1476 OE1 GLN A 124 4.754 -15.696 -5.887 1.00 0.00 O ATOM 1477 NE2 GLN A 124 5.686 -14.342 -7.418 1.00 0.00 N ATOM 0 H GLN A 124 8.850 -12.213 -4.636 1.00 0.00 H new ATOM 0 HA GLN A 124 8.734 -14.884 -3.808 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.107 -13.330 -6.301 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.164 -15.077 -6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.589 -14.998 -4.305 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.282 -13.354 -4.829 1.00 0.00 H new ATOM 0 HE21 GLN A 124 6.400 -13.644 -7.628 1.00 0.00 H new ATOM 0 HE22 GLN A 124 5.041 -14.648 -8.147 1.00 0.00 H new ATOM 1486 N HIS A 125 11.049 -14.258 -6.088 1.00 0.00 N ATOM 1487 CA HIS A 125 12.267 -14.784 -6.695 1.00 0.00 C ATOM 1488 C HIS A 125 13.302 -15.134 -5.630 1.00 0.00 C ATOM 1489 O HIS A 125 13.855 -16.234 -5.625 1.00 0.00 O ATOM 1490 CB HIS A 125 12.852 -13.768 -7.678 1.00 0.00 C ATOM 1491 CG HIS A 125 13.358 -14.384 -8.945 1.00 0.00 C ATOM 1492 ND1 HIS A 125 12.619 -14.427 -10.108 1.00 0.00 N ATOM 1493 CD2 HIS A 125 14.538 -14.985 -9.228 1.00 0.00 C ATOM 1494 CE1 HIS A 125 13.323 -15.028 -11.052 1.00 0.00 C ATOM 1495 NE2 HIS A 125 14.490 -15.375 -10.544 1.00 0.00 N ATOM 0 H HIS A 125 10.796 -13.319 -6.396 1.00 0.00 H new ATOM 0 HA HIS A 125 12.008 -15.695 -7.235 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.088 -13.030 -7.922 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.668 -13.233 -7.192 1.00 0.00 H new ATOM 0 HD2 HIS A 125 15.363 -15.130 -8.546 1.00 0.00 H new ATOM 0 HE1 HIS A 125 12.998 -15.205 -12.067 1.00 0.00 H new ATOM 0 HE2 HIS A 125 15.236 -15.855 -11.047 1.00 0.00 H new ATOM 1504 N ALA A 126 13.561 -14.190 -4.731 1.00 0.00 N ATOM 1505 CA ALA A 126 14.531 -14.398 -3.663 1.00 0.00 C ATOM 1506 C ALA A 126 14.106 -15.543 -2.749 1.00 0.00 C ATOM 1507 O ALA A 126 14.935 -16.341 -2.312 1.00 0.00 O ATOM 1508 CB ALA A 126 14.714 -13.119 -2.862 1.00 0.00 C ATOM 0 H ALA A 126 13.113 -13.274 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 126 15.484 -14.668 -4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.441 -13.288 -2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.072 -12.326 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.760 -12.824 -2.424 1.00 0.00 H new ATOM 1514 N MET A 127 12.810 -15.619 -2.463 1.00 0.00 N ATOM 1515 CA MET A 127 12.276 -16.668 -1.601 1.00 0.00 C ATOM 1516 C MET A 127 12.576 -18.048 -2.176 1.00 0.00 C ATOM 1517 O MET A 127 12.792 -19.007 -1.436 1.00 0.00 O ATOM 1518 CB MET A 127 10.767 -16.495 -1.425 1.00 0.00 C ATOM 1519 CG MET A 127 10.233 -17.086 -0.130 1.00 0.00 C ATOM 1520 SD MET A 127 8.529 -17.655 -0.276 1.00 0.00 S ATOM 1521 CE MET A 127 7.677 -16.105 -0.558 1.00 0.00 C ATOM 0 H MET A 127 12.110 -14.966 -2.816 1.00 0.00 H new ATOM 0 HA MET A 127 12.760 -16.585 -0.628 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.526 -15.433 -1.456 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.256 -16.963 -2.266 1.00 0.00 H new ATOM 0 HG2 MET A 127 10.866 -17.921 0.172 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.295 -16.337 0.659 1.00 0.00 H new ATOM 0 HE1 MET A 127 6.714 -16.121 -0.048 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.279 -15.283 -0.170 1.00 0.00 H new ATOM 0 HE3 MET A 127 7.519 -15.966 -1.628 1.00 0.00 H new ATOM 1531 N GLY A 128 12.585 -18.139 -3.502 1.00 0.00 N ATOM 1532 CA GLY A 128 12.858 -19.404 -4.157 1.00 0.00 C ATOM 1533 C GLY A 128 11.898 -19.689 -5.296 1.00 0.00 C ATOM 1534 O GLY A 128 11.462 -20.825 -5.479 1.00 0.00 O ATOM 0 H GLY A 128 12.408 -17.359 -4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 128 13.879 -19.398 -4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 128 12.797 -20.209 -3.425 1.00 0.00 H new ATOM 1538 N ILE A 129 11.569 -18.655 -6.064 1.00 0.00 N ATOM 1539 CA ILE A 129 10.656 -18.800 -7.191 1.00 0.00 C ATOM 1540 C ILE A 129 11.312 -18.343 -8.489 1.00 0.00 C ATOM 1541 O ILE A 129 12.252 -17.547 -8.474 1.00 0.00 O ATOM 1542 CB ILE A 129 9.360 -17.996 -6.973 1.00 0.00 C ATOM 1543 CG1 ILE A 129 8.782 -18.282 -5.586 1.00 0.00 C ATOM 1544 CG2 ILE A 129 8.343 -18.326 -8.056 1.00 0.00 C ATOM 1545 CD1 ILE A 129 7.599 -17.407 -5.232 1.00 0.00 C ATOM 0 H ILE A 129 11.921 -17.708 -5.926 1.00 0.00 H new ATOM 0 HA ILE A 129 10.408 -19.859 -7.264 1.00 0.00 H new ATOM 0 HB ILE A 129 9.595 -16.933 -7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.478 -19.328 -5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 129 9.564 -18.142 -4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 129 7.433 -17.750 -7.888 1.00 0.00 H new ATOM 0 HG22 ILE A 129 8.757 -18.074 -9.033 1.00 0.00 H new ATOM 0 HG23 ILE A 129 8.110 -19.390 -8.024 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.241 -17.665 -4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 129 7.903 -16.360 -5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 129 6.800 -17.565 -5.957 1.00 0.00 H new ATOM 1557 N HIS A 130 10.813 -18.851 -9.611 1.00 0.00 N ATOM 1558 CA HIS A 130 11.353 -18.494 -10.918 1.00 0.00 C ATOM 1559 C HIS A 130 10.240 -18.066 -11.869 1.00 0.00 C ATOM 1560 O HIS A 130 9.188 -18.704 -11.937 1.00 0.00 O ATOM 1561 CB HIS A 130 12.128 -19.673 -11.511 1.00 0.00 C ATOM 1562 CG HIS A 130 13.576 -19.376 -11.752 1.00 0.00 C ATOM 1563 ND1 HIS A 130 14.206 -18.212 -12.041 1.00 0.00 N flip ATOM 1564 CD2 HIS A 130 14.560 -20.341 -11.709 1.00 0.00 C flip ATOM 1565 CE1 HIS A 130 15.544 -18.493 -12.164 1.00 0.00 C flip ATOM 1566 NE2 HIS A 130 15.732 -19.783 -11.959 1.00 0.00 N flip ATOM 0 H HIS A 130 10.036 -19.511 -9.642 1.00 0.00 H new ATOM 0 HA HIS A 130 12.033 -17.652 -10.786 1.00 0.00 H new ATOM 0 HB2 HIS A 130 12.048 -20.526 -10.837 1.00 0.00 H new ATOM 0 HB3 HIS A 130 11.664 -19.966 -12.453 1.00 0.00 H new ATOM 0 HD2 HIS A 130 14.398 -21.389 -11.503 1.00 0.00 H new ATOM 0 HE1 HIS A 130 16.318 -17.775 -12.392 1.00 0.00 H new ATOM 0 HE2 HIS A 130 16.629 -20.267 -11.988 1.00 0.00 H new ATOM 1575 N ALA A 131 10.479 -16.985 -12.603 1.00 0.00 N ATOM 1576 CA ALA A 131 9.497 -16.472 -13.551 1.00 0.00 C ATOM 1577 C ALA A 131 9.830 -16.909 -14.974 1.00 0.00 C ATOM 1578 O ALA A 131 10.992 -17.138 -15.308 1.00 0.00 O ATOM 1579 CB ALA A 131 9.423 -14.955 -13.466 1.00 0.00 C ATOM 0 H ALA A 131 11.344 -16.447 -12.560 1.00 0.00 H new ATOM 0 HA ALA A 131 8.523 -16.886 -13.289 1.00 0.00 H new ATOM 0 HB1 ALA A 131 8.686 -14.586 -14.179 1.00 0.00 H new ATOM 0 HB2 ALA A 131 9.131 -14.661 -12.458 1.00 0.00 H new ATOM 0 HB3 ALA A 131 10.399 -14.529 -13.700 1.00 0.00 H new ATOM 1585 N ASP A 132 8.802 -17.022 -15.809 1.00 0.00 N ATOM 1586 CA ASP A 132 8.986 -17.431 -17.196 1.00 0.00 C ATOM 1587 C ASP A 132 7.999 -16.714 -18.111 1.00 0.00 C ATOM 1588 O ASP A 132 6.895 -17.201 -18.352 1.00 0.00 O ATOM 1589 CB ASP A 132 8.815 -18.945 -17.330 1.00 0.00 C ATOM 1590 CG ASP A 132 10.000 -19.712 -16.775 1.00 0.00 C ATOM 1591 OD1 ASP A 132 11.148 -19.355 -17.112 1.00 0.00 O ATOM 1592 OD2 ASP A 132 9.779 -20.671 -16.006 1.00 0.00 O ATOM 0 H ASP A 132 7.833 -16.836 -15.549 1.00 0.00 H new ATOM 0 HA ASP A 132 9.997 -17.158 -17.497 1.00 0.00 H new ATOM 0 HB2 ASP A 132 7.909 -19.253 -16.808 1.00 0.00 H new ATOM 0 HB3 ASP A 132 8.680 -19.201 -18.381 1.00 0.00 H new ATOM 1597 N ILE A 133 8.405 -15.554 -18.617 1.00 0.00 N ATOM 1598 CA ILE A 133 7.556 -14.769 -19.505 1.00 0.00 C ATOM 1599 C ILE A 133 8.331 -14.297 -20.730 1.00 0.00 C ATOM 1600 O ILE A 133 7.686 -13.857 -21.704 1.00 0.00 O ATOM 1601 CB ILE A 133 6.966 -13.544 -18.782 1.00 0.00 C ATOM 1602 CG1 ILE A 133 6.358 -13.959 -17.441 1.00 0.00 C ATOM 1603 CG2 ILE A 133 5.923 -12.864 -19.656 1.00 0.00 C ATOM 1604 CD1 ILE A 133 7.296 -13.773 -16.269 1.00 0.00 C ATOM 0 H ILE A 133 9.316 -15.137 -18.427 1.00 0.00 H new ATOM 0 HA ILE A 133 6.742 -15.421 -19.821 1.00 0.00 H new ATOM 0 HB ILE A 133 7.769 -12.833 -18.590 1.00 0.00 H new ATOM 0 HG12 ILE A 133 5.452 -13.378 -17.267 1.00 0.00 H new ATOM 0 HG13 ILE A 133 6.060 -15.006 -17.495 1.00 0.00 H new ATOM 0 HG21 ILE A 133 5.515 -12.000 -19.131 1.00 0.00 H new ATOM 0 HG22 ILE A 133 6.386 -12.537 -20.587 1.00 0.00 H new ATOM 0 HG23 ILE A 133 5.119 -13.567 -19.877 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.799 -14.087 -15.351 1.00 0.00 H new ATOM 0 HD12 ILE A 133 8.192 -14.375 -16.421 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.574 -12.722 -16.189 1.00 0.00 H new TER 1616 ILE A 133