USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1085 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 2 THR OG1 : rot -160:sc= 0.401 USER MOD Set 1.2: A 3 LYS NZ :NH3+ 171:sc= 1.4 (180deg=-0.402) USER MOD Set 1.3: A 153 GLN : amide:sc= 0.989 K(o=2.8,f=-5.7) USER MOD Set 2.1: A 120 HIS : no HD1:sc= -4.24! C(o=-5.1!,f=-6.7!) USER MOD Set 2.2: A 139 ASN : amide:sc= -0.871 K(o=-5.1,f=-9.5!) USER MOD Set 3.1: A 70 LYS NZ :NH3+ 129:sc= 1.67 (180deg=0) USER MOD Set 3.2: A 105 SER OG : rot -90:sc= 1.94 USER MOD Set 4.1: A 15 GLN : amide:sc= -1.38 K(o=-1.4,f=-7!) USER MOD Set 4.2: A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 22 GLN : amide:sc= 0.487 K(o=0.78,f=-0.93) USER MOD Set 5.2: A 107 SER OG : rot 98:sc= 0.292 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.012) USER MOD Single : A 19 ASN : amide:sc= 0.102 X(o=0.1,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= 2.11 (180deg=1.62) USER MOD Single : A 25 SER OG : rot 180:sc= 0.00947 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0.00486 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= -1.46! C(o=-1.5!,f=-5.3!) USER MOD Single : A 46 HIS : no HD1:sc= -4.85! C(o=-4.9!,f=-7.9!) USER MOD Single : A 48 HIS : no HE2:sc= -16! C(o=-16!,f=-21!) USER MOD Single : A 53 ASN : amide:sc= -0.0075 K(o=-0.0075,f=-1.4) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.522 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 138:sc= 1.35 USER MOD Single : A 63 HIS : no HD1:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 65 ASN : amide:sc= 0.435 K(o=0.43,f=-1.3!) USER MOD Single : A 68 SER OG : rot -72:sc= 0.961 USER MOD Single : A 71 HIS : no HE2:sc= -5.48! C(o=-5.5!,f=-6.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= 0.635 K(o=0.63,f=-5.1!) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.118 F(o=-0.88!,f=-0.12) USER MOD Single : A 88 THR OG1 : rot 180:sc=-0.00282 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 160:sc= 0 USER MOD Single : A 102 SER OG : rot 108:sc= -1.54! USER MOD Single : A 110 HIS :FLIP no HE2:sc= 0.215 F(o=-0.77,f=0.21) USER MOD Single : A 111 SER OG : rot -83:sc= 1.06 USER MOD Single : A 116 THR OG1 : rot -149:sc= 0.179 USER MOD Single : A 122 LYS NZ :NH3+ -114:sc= 0.351 (180deg=-0.034) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -0.788 K(o=-0.79,f=-3.3!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 10:sc= 1.24 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 170:sc= -1.3 USER MOD Single : A 142 SER OG : rot 110:sc= -0.11 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.160 -15.048 2.503 1.00 0.00 N ATOM 2 CA ALA A 1 8.778 -15.835 1.444 1.00 0.00 C ATOM 3 C ALA A 1 8.078 -15.599 0.134 1.00 0.00 C ATOM 4 O ALA A 1 8.705 -15.201 -0.838 1.00 0.00 O ATOM 5 CB ALA A 1 8.780 -17.317 1.784 1.00 0.00 C ATOM 0 H1 ALA A 1 8.656 -15.223 3.400 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.221 -14.037 2.265 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.161 -15.321 2.601 1.00 0.00 H new ATOM 0 HA ALA A 1 9.815 -15.511 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.248 -17.876 0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.339 -17.478 2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.754 -17.661 1.917 1.00 0.00 H new ATOM 13 N THR A 2 6.787 -15.837 0.101 1.00 0.00 N ATOM 14 CA THR A 2 6.045 -15.660 -1.093 1.00 0.00 C ATOM 15 C THR A 2 5.117 -14.462 -1.001 1.00 0.00 C ATOM 16 O THR A 2 5.390 -13.490 -1.574 1.00 0.00 O ATOM 17 CB THR A 2 5.268 -16.941 -1.503 1.00 0.00 C ATOM 18 OG1 THR A 2 4.491 -17.446 -0.391 1.00 0.00 O ATOM 19 CG2 THR A 2 6.223 -18.024 -1.998 1.00 0.00 C ATOM 0 H THR A 2 6.240 -16.155 0.901 1.00 0.00 H new ATOM 0 HA THR A 2 6.770 -15.462 -1.882 1.00 0.00 H new ATOM 0 HB THR A 2 4.592 -16.673 -2.315 1.00 0.00 H new ATOM 0 HG1 THR A 2 4.271 -18.388 -0.547 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.654 -18.910 -2.279 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.773 -17.656 -2.864 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.925 -18.280 -1.205 1.00 0.00 H new ATOM 27 N LYS A 3 4.141 -14.510 -0.135 1.00 0.00 N ATOM 28 CA LYS A 3 3.066 -13.547 -0.132 1.00 0.00 C ATOM 29 C LYS A 3 2.773 -13.087 1.260 1.00 0.00 C ATOM 30 O LYS A 3 3.292 -13.650 2.242 1.00 0.00 O ATOM 31 CB LYS A 3 1.823 -14.201 -0.735 1.00 0.00 C ATOM 32 CG LYS A 3 1.339 -15.419 0.058 1.00 0.00 C ATOM 33 CD LYS A 3 0.246 -16.185 -0.664 1.00 0.00 C ATOM 34 CE LYS A 3 0.766 -16.831 -1.947 1.00 0.00 C ATOM 35 NZ LYS A 3 1.878 -17.774 -1.682 1.00 0.00 N ATOM 0 H LYS A 3 4.066 -15.220 0.593 1.00 0.00 H new ATOM 0 HA LYS A 3 3.358 -12.678 -0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.020 -13.465 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.040 -14.505 -1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.182 -16.085 0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.968 -15.092 1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.156 -16.955 -0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.575 -15.510 -0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.048 -17.360 -2.442 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.105 -16.054 -2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.100 -18.302 -2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.718 -17.243 -1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.598 -18.440 -0.934 1.00 0.00 H new ATOM 49 N ALA A 4 1.952 -12.093 1.352 1.00 0.00 N ATOM 50 CA ALA A 4 1.604 -11.511 2.598 1.00 0.00 C ATOM 51 C ALA A 4 0.142 -11.272 2.573 1.00 0.00 C ATOM 52 O ALA A 4 -0.453 -11.411 1.533 1.00 0.00 O ATOM 53 CB ALA A 4 2.406 -10.235 2.827 1.00 0.00 C ATOM 0 H ALA A 4 1.499 -11.658 0.548 1.00 0.00 H new ATOM 0 HA ALA A 4 1.845 -12.170 3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.129 -9.799 3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.470 -10.470 2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.193 -9.523 2.030 1.00 0.00 H new ATOM 59 N VAL A 5 -0.444 -10.991 3.680 1.00 0.00 N ATOM 60 CA VAL A 5 -1.850 -10.720 3.724 1.00 0.00 C ATOM 61 C VAL A 5 -2.085 -9.428 4.453 1.00 0.00 C ATOM 62 O VAL A 5 -1.176 -8.902 5.101 1.00 0.00 O ATOM 63 CB VAL A 5 -2.671 -11.882 4.333 1.00 0.00 C ATOM 64 CG1 VAL A 5 -2.589 -13.148 3.490 1.00 0.00 C ATOM 65 CG2 VAL A 5 -2.258 -12.157 5.766 1.00 0.00 C ATOM 0 H VAL A 5 0.028 -10.940 4.583 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.206 -10.624 2.698 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.713 -11.564 4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.181 -13.935 3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.977 -12.946 2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.550 -13.470 3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.853 -12.978 6.165 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.202 -12.426 5.795 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.421 -11.264 6.369 1.00 0.00 H new ATOM 75 N ALA A 6 -3.269 -8.932 4.377 1.00 0.00 N ATOM 76 CA ALA A 6 -3.562 -7.635 4.909 1.00 0.00 C ATOM 77 C ALA A 6 -4.815 -7.652 5.744 1.00 0.00 C ATOM 78 O ALA A 6 -5.792 -8.304 5.382 1.00 0.00 O ATOM 79 CB ALA A 6 -3.689 -6.650 3.768 1.00 0.00 C ATOM 0 H ALA A 6 -4.064 -9.406 3.948 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.746 -7.330 5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.912 -5.660 4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.752 -6.615 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.494 -6.964 3.104 1.00 0.00 H new ATOM 85 N VAL A 7 -4.772 -6.960 6.878 1.00 0.00 N ATOM 86 CA VAL A 7 -5.908 -6.863 7.777 1.00 0.00 C ATOM 87 C VAL A 7 -6.066 -5.394 8.196 1.00 0.00 C ATOM 88 O VAL A 7 -5.213 -4.852 8.902 1.00 0.00 O ATOM 89 CB VAL A 7 -5.715 -7.741 9.052 1.00 0.00 C ATOM 90 CG1 VAL A 7 -6.957 -7.712 9.912 1.00 0.00 C ATOM 91 CG2 VAL A 7 -5.365 -9.179 8.704 1.00 0.00 C ATOM 0 H VAL A 7 -3.947 -6.452 7.196 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.795 -7.224 7.257 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.880 -7.316 9.609 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.802 -8.330 10.796 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.164 -6.687 10.218 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.803 -8.098 9.343 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.239 -9.755 9.621 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.167 -9.615 8.109 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.437 -9.200 8.133 1.00 0.00 H new ATOM 101 N LEU A 8 -7.086 -4.751 7.702 1.00 0.00 N ATOM 102 CA LEU A 8 -7.321 -3.337 8.006 1.00 0.00 C ATOM 103 C LEU A 8 -8.324 -3.126 9.150 1.00 0.00 C ATOM 104 O LEU A 8 -9.236 -3.940 9.349 1.00 0.00 O ATOM 105 CB LEU A 8 -7.770 -2.617 6.743 1.00 0.00 C ATOM 106 CG LEU A 8 -6.706 -2.495 5.654 1.00 0.00 C ATOM 107 CD1 LEU A 8 -7.320 -2.043 4.340 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.635 -1.509 6.099 1.00 0.00 C ATOM 0 H LEU A 8 -7.780 -5.171 7.083 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.380 -2.913 8.356 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.631 -3.142 6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.107 -1.616 7.014 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.256 -3.475 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.541 -1.964 3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.067 -2.769 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.794 -1.071 4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.875 -1.422 5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.089 -0.534 6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.173 -1.865 7.020 1.00 0.00 H new ATOM 120 N LYS A 9 -8.154 -2.027 9.887 1.00 0.00 N ATOM 121 CA LYS A 9 -9.000 -1.669 11.008 1.00 0.00 C ATOM 122 C LYS A 9 -9.054 -0.153 11.108 1.00 0.00 C ATOM 123 O LYS A 9 -8.018 0.489 11.203 1.00 0.00 O ATOM 124 CB LYS A 9 -8.406 -2.243 12.302 1.00 0.00 C ATOM 125 CG LYS A 9 -9.167 -1.872 13.572 1.00 0.00 C ATOM 126 CD LYS A 9 -8.448 -2.347 14.837 1.00 0.00 C ATOM 127 CE LYS A 9 -7.047 -1.734 14.967 1.00 0.00 C ATOM 128 NZ LYS A 9 -6.408 -2.082 16.253 1.00 0.00 N ATOM 0 H LYS A 9 -7.408 -1.354 9.712 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.002 -2.072 10.863 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.372 -3.329 12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.376 -1.898 12.398 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.295 -0.790 13.614 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.164 -2.310 13.537 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.042 -2.083 15.712 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.368 -3.434 14.822 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.421 -2.082 14.145 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.116 -0.650 14.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.485 -1.607 16.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.016 -1.773 17.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.272 -3.112 16.306 1.00 0.00 H new ATOM 142 N GLY A 10 -10.226 0.412 11.057 1.00 0.00 N ATOM 143 CA GLY A 10 -10.317 1.840 11.147 1.00 0.00 C ATOM 144 C GLY A 10 -11.647 2.312 11.656 1.00 0.00 C ATOM 145 O GLY A 10 -12.508 1.501 12.021 1.00 0.00 O ATOM 0 H GLY A 10 -11.113 -0.081 10.956 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.531 2.208 11.806 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.136 2.273 10.163 1.00 0.00 H new ATOM 149 N ASP A 11 -11.806 3.634 11.630 1.00 0.00 N ATOM 150 CA ASP A 11 -13.053 4.283 11.993 1.00 0.00 C ATOM 151 C ASP A 11 -14.075 3.897 10.968 1.00 0.00 C ATOM 152 O ASP A 11 -15.162 3.443 11.292 1.00 0.00 O ATOM 153 CB ASP A 11 -12.920 5.821 12.001 1.00 0.00 C ATOM 154 CG ASP A 11 -11.931 6.355 13.007 1.00 0.00 C ATOM 155 OD1 ASP A 11 -12.168 6.228 14.221 1.00 0.00 O ATOM 156 OD2 ASP A 11 -10.922 6.951 12.612 1.00 0.00 O ATOM 0 H ASP A 11 -11.068 4.282 11.355 1.00 0.00 H new ATOM 0 HA ASP A 11 -13.337 3.968 12.997 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.623 6.153 11.006 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.898 6.257 12.204 1.00 0.00 H new ATOM 161 N GLY A 12 -13.694 4.071 9.727 1.00 0.00 N ATOM 162 CA GLY A 12 -14.484 3.664 8.604 1.00 0.00 C ATOM 163 C GLY A 12 -13.944 2.355 8.098 1.00 0.00 C ATOM 164 O GLY A 12 -12.932 2.354 7.406 1.00 0.00 O ATOM 0 H GLY A 12 -12.809 4.508 9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.529 3.557 8.894 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.446 4.419 7.819 1.00 0.00 H new ATOM 168 N PRO A 13 -14.540 1.211 8.501 1.00 0.00 N ATOM 169 CA PRO A 13 -14.007 -0.106 8.182 1.00 0.00 C ATOM 170 C PRO A 13 -13.843 -0.350 6.692 1.00 0.00 C ATOM 171 O PRO A 13 -14.774 -0.159 5.891 1.00 0.00 O ATOM 172 CB PRO A 13 -15.045 -1.078 8.763 1.00 0.00 C ATOM 173 CG PRO A 13 -15.769 -0.283 9.783 1.00 0.00 C ATOM 174 CD PRO A 13 -15.800 1.113 9.250 1.00 0.00 C ATOM 0 HA PRO A 13 -13.005 -0.225 8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -15.722 -1.444 7.991 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -14.566 -1.951 9.207 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -16.777 -0.667 9.937 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -15.261 -0.324 10.747 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -16.665 1.280 8.608 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -15.851 1.850 10.052 1.00 0.00 H new ATOM 182 N VAL A 14 -12.660 -0.750 6.346 1.00 0.00 N ATOM 183 CA VAL A 14 -12.314 -1.133 5.020 1.00 0.00 C ATOM 184 C VAL A 14 -11.837 -2.574 5.068 1.00 0.00 C ATOM 185 O VAL A 14 -10.830 -2.893 5.697 1.00 0.00 O ATOM 186 CB VAL A 14 -11.239 -0.184 4.376 1.00 0.00 C ATOM 187 CG1 VAL A 14 -11.853 1.166 4.039 1.00 0.00 C ATOM 188 CG2 VAL A 14 -10.065 0.037 5.316 1.00 0.00 C ATOM 0 H VAL A 14 -11.884 -0.820 7.004 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.190 -1.045 4.377 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.883 -0.668 3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.094 1.810 3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.671 1.027 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.234 1.630 4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.339 0.697 4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.420 0.492 6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.593 -0.920 5.540 1.00 0.00 H new ATOM 198 N GLN A 15 -12.587 -3.446 4.474 1.00 0.00 N ATOM 199 CA GLN A 15 -12.284 -4.854 4.561 1.00 0.00 C ATOM 200 C GLN A 15 -11.768 -5.382 3.243 1.00 0.00 C ATOM 201 O GLN A 15 -12.457 -5.288 2.209 1.00 0.00 O ATOM 202 CB GLN A 15 -13.497 -5.705 5.040 1.00 0.00 C ATOM 203 CG GLN A 15 -14.033 -5.397 6.456 1.00 0.00 C ATOM 204 CD GLN A 15 -15.037 -4.240 6.535 1.00 0.00 C ATOM 205 OE1 GLN A 15 -15.017 -3.307 5.753 1.00 0.00 O ATOM 206 NE2 GLN A 15 -15.937 -4.312 7.476 1.00 0.00 N ATOM 0 H GLN A 15 -13.414 -3.217 3.922 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.503 -4.950 5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.312 -5.570 4.329 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.213 -6.757 5.003 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.506 -6.296 6.852 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.188 -5.169 7.106 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.938 -5.102 8.122 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.640 -3.579 7.566 1.00 0.00 H new ATOM 215 N GLY A 16 -10.559 -5.889 3.256 1.00 0.00 N ATOM 216 CA GLY A 16 -9.998 -6.489 2.097 1.00 0.00 C ATOM 217 C GLY A 16 -8.711 -7.190 2.406 1.00 0.00 C ATOM 218 O GLY A 16 -8.164 -7.018 3.495 1.00 0.00 O ATOM 0 H GLY A 16 -9.948 -5.891 4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.708 -7.200 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.824 -5.725 1.339 1.00 0.00 H new ATOM 222 N ILE A 17 -8.203 -7.947 1.463 1.00 0.00 N ATOM 223 CA ILE A 17 -6.991 -8.694 1.665 1.00 0.00 C ATOM 224 C ILE A 17 -6.071 -8.406 0.522 1.00 0.00 C ATOM 225 O ILE A 17 -6.472 -8.493 -0.626 1.00 0.00 O ATOM 226 CB ILE A 17 -7.237 -10.235 1.800 1.00 0.00 C ATOM 227 CG1 ILE A 17 -8.068 -10.784 0.613 1.00 0.00 C ATOM 228 CG2 ILE A 17 -7.900 -10.563 3.140 1.00 0.00 C ATOM 229 CD1 ILE A 17 -8.265 -12.287 0.628 1.00 0.00 C ATOM 0 H ILE A 17 -8.618 -8.060 0.538 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.547 -8.380 2.610 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.267 -10.731 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.045 -10.302 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.577 -10.504 -0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.062 -11.639 3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.254 -10.237 3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.858 -10.047 3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.857 -12.585 -0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.294 -12.782 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.786 -12.577 1.541 1.00 0.00 H new ATOM 241 N ILE A 18 -4.880 -7.975 0.830 1.00 0.00 N ATOM 242 CA ILE A 18 -3.918 -7.635 -0.196 1.00 0.00 C ATOM 243 C ILE A 18 -2.670 -8.464 0.036 1.00 0.00 C ATOM 244 O ILE A 18 -2.143 -8.473 1.152 1.00 0.00 O ATOM 245 CB ILE A 18 -3.524 -6.099 -0.189 1.00 0.00 C ATOM 246 CG1 ILE A 18 -4.742 -5.147 -0.288 1.00 0.00 C ATOM 247 CG2 ILE A 18 -2.547 -5.786 -1.318 1.00 0.00 C ATOM 248 CD1 ILE A 18 -5.528 -4.957 0.998 1.00 0.00 C ATOM 0 H ILE A 18 -4.545 -7.848 1.785 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.373 -7.844 -1.164 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.053 -5.921 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.393 -4.172 -0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.418 -5.528 -1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.291 -4.727 -1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.643 -6.381 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.009 -6.026 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.358 -4.273 0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.916 -5.919 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.875 -4.542 1.766 1.00 0.00 H new ATOM 260 N ASN A 19 -2.190 -9.153 -0.988 1.00 0.00 N ATOM 261 CA ASN A 19 -1.031 -10.006 -0.844 1.00 0.00 C ATOM 262 C ASN A 19 0.205 -9.315 -1.359 1.00 0.00 C ATOM 263 O ASN A 19 0.147 -8.684 -2.414 1.00 0.00 O ATOM 264 CB ASN A 19 -1.221 -11.328 -1.610 1.00 0.00 C ATOM 265 CG ASN A 19 -2.441 -12.122 -1.170 1.00 0.00 C ATOM 266 OD1 ASN A 19 -3.520 -11.991 -1.739 1.00 0.00 O ATOM 267 ND2 ASN A 19 -2.296 -12.926 -0.147 1.00 0.00 N ATOM 0 H ASN A 19 -2.589 -9.135 -1.927 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.913 -10.221 0.218 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.305 -11.111 -2.675 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.331 -11.944 -1.479 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.092 -13.463 0.196 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.387 -13.015 0.307 1.00 0.00 H new ATOM 274 N PHE A 20 1.333 -9.373 -0.616 1.00 0.00 N ATOM 275 CA PHE A 20 2.553 -8.798 -1.157 1.00 0.00 C ATOM 276 C PHE A 20 3.723 -9.741 -1.136 1.00 0.00 C ATOM 277 O PHE A 20 4.154 -10.207 -0.080 1.00 0.00 O ATOM 278 CB PHE A 20 2.913 -7.476 -0.506 1.00 0.00 C ATOM 279 CG PHE A 20 2.610 -6.294 -1.376 1.00 0.00 C ATOM 280 CD1 PHE A 20 1.333 -5.766 -1.446 1.00 0.00 C ATOM 281 CD2 PHE A 20 3.615 -5.712 -2.133 1.00 0.00 C ATOM 282 CE1 PHE A 20 1.064 -4.677 -2.245 1.00 0.00 C ATOM 283 CE2 PHE A 20 3.352 -4.621 -2.935 1.00 0.00 C ATOM 284 CZ PHE A 20 2.075 -4.105 -2.993 1.00 0.00 C ATOM 0 H PHE A 20 1.411 -9.792 0.311 1.00 0.00 H new ATOM 0 HA PHE A 20 2.326 -8.603 -2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.367 -7.379 0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.975 -7.476 -0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.538 -6.213 -0.867 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.615 -6.117 -2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.064 -4.271 -2.287 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.144 -4.172 -3.516 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.865 -3.254 -3.623 1.00 0.00 H new ATOM 294 N GLU A 21 4.222 -10.004 -2.309 1.00 0.00 N ATOM 295 CA GLU A 21 5.360 -10.839 -2.502 1.00 0.00 C ATOM 296 C GLU A 21 6.666 -10.065 -2.481 1.00 0.00 C ATOM 297 O GLU A 21 6.735 -8.870 -2.853 1.00 0.00 O ATOM 298 CB GLU A 21 5.282 -11.574 -3.844 1.00 0.00 C ATOM 299 CG GLU A 21 4.026 -12.382 -4.082 1.00 0.00 C ATOM 300 CD GLU A 21 4.136 -13.161 -5.354 1.00 0.00 C ATOM 301 OE1 GLU A 21 4.641 -12.591 -6.359 1.00 0.00 O ATOM 302 OE2 GLU A 21 3.773 -14.363 -5.374 1.00 0.00 O ATOM 0 H GLU A 21 3.835 -9.632 -3.176 1.00 0.00 H new ATOM 0 HA GLU A 21 5.348 -11.544 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.376 -10.840 -4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.140 -12.241 -3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.860 -13.061 -3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.163 -11.718 -4.129 1.00 0.00 H new ATOM 309 N GLN A 22 7.638 -10.688 -1.941 1.00 0.00 N ATOM 310 CA GLN A 22 8.950 -10.312 -2.112 1.00 0.00 C ATOM 311 C GLN A 22 9.510 -11.302 -3.109 1.00 0.00 C ATOM 312 O GLN A 22 9.343 -12.522 -2.945 1.00 0.00 O ATOM 313 CB GLN A 22 9.781 -10.376 -0.800 1.00 0.00 C ATOM 314 CG GLN A 22 9.992 -11.758 -0.197 1.00 0.00 C ATOM 315 CD GLN A 22 11.310 -11.855 0.555 1.00 0.00 C ATOM 316 OE1 GLN A 22 11.800 -10.880 1.128 1.00 0.00 O ATOM 317 NE2 GLN A 22 11.930 -12.997 0.500 1.00 0.00 N ATOM 0 H GLN A 22 7.518 -11.507 -1.345 1.00 0.00 H new ATOM 0 HA GLN A 22 9.002 -9.275 -2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.759 -9.935 -0.994 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.291 -9.750 -0.055 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.170 -11.987 0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.970 -12.507 -0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.501 -13.788 0.019 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.845 -13.102 0.938 1.00 0.00 H new ATOM 326 N LYS A 23 10.050 -10.828 -4.160 1.00 0.00 N ATOM 327 CA LYS A 23 10.776 -11.688 -5.010 1.00 0.00 C ATOM 328 C LYS A 23 12.217 -11.326 -4.932 1.00 0.00 C ATOM 329 O LYS A 23 12.728 -10.529 -5.713 1.00 0.00 O ATOM 330 CB LYS A 23 10.249 -11.806 -6.458 1.00 0.00 C ATOM 331 CG LYS A 23 8.954 -12.628 -6.597 1.00 0.00 C ATOM 332 CD LYS A 23 8.776 -13.113 -8.038 1.00 0.00 C ATOM 333 CE LYS A 23 7.586 -14.067 -8.219 1.00 0.00 C ATOM 334 NZ LYS A 23 6.272 -13.396 -8.160 1.00 0.00 N ATOM 0 H LYS A 23 10.006 -9.853 -4.455 1.00 0.00 H new ATOM 0 HA LYS A 23 10.629 -12.703 -4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.074 -10.805 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.022 -12.261 -7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.985 -13.483 -5.921 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.098 -12.020 -6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.642 -12.250 -8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.688 -13.617 -8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.682 -14.575 -9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.627 -14.835 -7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.558 -13.990 -8.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.003 -13.247 -7.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.329 -12.478 -8.645 1.00 0.00 H new ATOM 348 N GLU A 24 12.855 -11.869 -3.911 1.00 0.00 N ATOM 349 CA GLU A 24 14.256 -11.641 -3.625 1.00 0.00 C ATOM 350 C GLU A 24 15.090 -12.319 -4.699 1.00 0.00 C ATOM 351 O GLU A 24 16.192 -11.883 -5.037 1.00 0.00 O ATOM 352 CB GLU A 24 14.577 -12.212 -2.248 1.00 0.00 C ATOM 353 CG GLU A 24 15.985 -11.953 -1.781 1.00 0.00 C ATOM 354 CD GLU A 24 16.263 -12.571 -0.451 1.00 0.00 C ATOM 355 OE1 GLU A 24 16.007 -11.920 0.590 1.00 0.00 O ATOM 356 OE2 GLU A 24 16.768 -13.707 -0.408 1.00 0.00 O ATOM 0 H GLU A 24 12.402 -12.494 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 24 14.483 -10.575 -3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.883 -11.789 -1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.405 -13.288 -2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.687 -12.346 -2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.154 -10.878 -1.722 1.00 0.00 H new ATOM 363 N SER A 25 14.521 -13.360 -5.246 1.00 0.00 N ATOM 364 CA SER A 25 15.070 -14.118 -6.342 1.00 0.00 C ATOM 365 C SER A 25 14.998 -13.288 -7.654 1.00 0.00 C ATOM 366 O SER A 25 15.568 -13.674 -8.678 1.00 0.00 O ATOM 367 CB SER A 25 14.238 -15.382 -6.467 1.00 0.00 C ATOM 368 OG SER A 25 14.047 -15.973 -5.177 1.00 0.00 O ATOM 0 H SER A 25 13.622 -13.720 -4.926 1.00 0.00 H new ATOM 0 HA SER A 25 16.117 -14.362 -6.164 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.272 -15.149 -6.916 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.735 -16.090 -7.130 1.00 0.00 H new ATOM 0 HG SER A 25 13.508 -16.787 -5.266 1.00 0.00 H new ATOM 374 N ASN A 26 14.294 -12.139 -7.566 1.00 0.00 N ATOM 375 CA ASN A 26 14.024 -11.197 -8.662 1.00 0.00 C ATOM 376 C ASN A 26 12.952 -11.728 -9.588 1.00 0.00 C ATOM 377 O ASN A 26 13.071 -12.824 -10.156 1.00 0.00 O ATOM 378 CB ASN A 26 15.292 -10.797 -9.442 1.00 0.00 C ATOM 379 CG ASN A 26 15.008 -9.839 -10.590 1.00 0.00 C ATOM 380 OD1 ASN A 26 14.100 -9.014 -10.533 1.00 0.00 O ATOM 381 ND2 ASN A 26 15.764 -9.954 -11.642 1.00 0.00 N ATOM 0 H ASN A 26 13.881 -11.833 -6.685 1.00 0.00 H new ATOM 0 HA ASN A 26 13.653 -10.284 -8.197 1.00 0.00 H new ATOM 0 HB2 ASN A 26 16.002 -10.334 -8.757 1.00 0.00 H new ATOM 0 HB3 ASN A 26 15.768 -11.695 -9.835 1.00 0.00 H new ATOM 0 HD21 ASN A 26 15.610 -9.349 -12.449 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.511 -10.649 -11.660 1.00 0.00 H new ATOM 388 N GLY A 27 11.891 -10.976 -9.698 1.00 0.00 N ATOM 389 CA GLY A 27 10.804 -11.340 -10.516 1.00 0.00 C ATOM 390 C GLY A 27 9.699 -10.384 -10.292 1.00 0.00 C ATOM 391 O GLY A 27 9.748 -9.618 -9.320 1.00 0.00 O ATOM 0 H GLY A 27 11.771 -10.088 -9.211 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.102 -11.334 -11.564 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.479 -12.354 -10.283 1.00 0.00 H new ATOM 395 N PRO A 28 8.711 -10.368 -11.154 1.00 0.00 N ATOM 396 CA PRO A 28 7.572 -9.492 -11.001 1.00 0.00 C ATOM 397 C PRO A 28 6.758 -9.877 -9.772 1.00 0.00 C ATOM 398 O PRO A 28 6.525 -11.068 -9.522 1.00 0.00 O ATOM 399 CB PRO A 28 6.755 -9.757 -12.277 1.00 0.00 C ATOM 400 CG PRO A 28 7.173 -11.105 -12.726 1.00 0.00 C ATOM 401 CD PRO A 28 8.613 -11.210 -12.364 1.00 0.00 C ATOM 0 HA PRO A 28 7.853 -8.447 -10.870 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.685 -9.723 -12.075 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.959 -9.006 -13.040 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.587 -11.882 -12.236 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.027 -11.225 -13.800 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.905 -12.241 -12.164 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.258 -10.845 -13.163 1.00 0.00 H new ATOM 409 N VAL A 29 6.356 -8.906 -8.993 1.00 0.00 N ATOM 410 CA VAL A 29 5.489 -9.201 -7.871 1.00 0.00 C ATOM 411 C VAL A 29 4.073 -9.513 -8.386 1.00 0.00 C ATOM 412 O VAL A 29 3.570 -8.878 -9.361 1.00 0.00 O ATOM 413 CB VAL A 29 5.413 -8.000 -6.855 1.00 0.00 C ATOM 414 CG1 VAL A 29 4.637 -6.797 -7.395 1.00 0.00 C ATOM 415 CG2 VAL A 29 4.881 -8.427 -5.510 1.00 0.00 C ATOM 0 H VAL A 29 6.606 -7.924 -9.106 1.00 0.00 H new ATOM 0 HA VAL A 29 5.906 -10.062 -7.348 1.00 0.00 H new ATOM 0 HB VAL A 29 6.443 -7.671 -6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.623 -6.006 -6.645 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.119 -6.430 -8.301 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.615 -7.097 -7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.846 -7.566 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.877 -8.835 -5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.534 -9.189 -5.086 1.00 0.00 H new ATOM 425 N LYS A 30 3.509 -10.556 -7.831 1.00 0.00 N ATOM 426 CA LYS A 30 2.155 -10.941 -8.069 1.00 0.00 C ATOM 427 C LYS A 30 1.371 -10.477 -6.869 1.00 0.00 C ATOM 428 O LYS A 30 1.701 -10.807 -5.736 1.00 0.00 O ATOM 429 CB LYS A 30 2.036 -12.456 -8.214 1.00 0.00 C ATOM 430 CG LYS A 30 0.610 -12.959 -8.407 1.00 0.00 C ATOM 431 CD LYS A 30 0.532 -14.481 -8.369 1.00 0.00 C ATOM 432 CE LYS A 30 1.048 -15.036 -7.043 1.00 0.00 C ATOM 433 NZ LYS A 30 0.841 -16.489 -6.931 1.00 0.00 N ATOM 0 H LYS A 30 3.999 -11.173 -7.184 1.00 0.00 H new ATOM 0 HA LYS A 30 1.782 -10.499 -8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.640 -12.776 -9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.458 -12.928 -7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.030 -12.544 -7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.225 -12.600 -9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.500 -14.797 -8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.116 -14.897 -9.190 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.111 -14.814 -6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.541 -14.534 -6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.206 -16.822 -6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.175 -16.701 -6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.346 -16.972 -7.702 1.00 0.00 H new ATOM 447 N VAL A 31 0.376 -9.709 -7.104 1.00 0.00 N ATOM 448 CA VAL A 31 -0.369 -9.062 -6.052 1.00 0.00 C ATOM 449 C VAL A 31 -1.825 -9.136 -6.365 1.00 0.00 C ATOM 450 O VAL A 31 -2.202 -9.240 -7.531 1.00 0.00 O ATOM 451 CB VAL A 31 0.041 -7.556 -5.848 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.436 -7.429 -5.270 1.00 0.00 C ATOM 453 CG2 VAL A 31 -0.050 -6.773 -7.156 1.00 0.00 C ATOM 0 H VAL A 31 0.037 -9.498 -8.043 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.141 -9.587 -5.125 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.666 -7.132 -5.136 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.683 -6.375 -5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.476 -7.929 -4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.154 -7.891 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.240 -5.737 -6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.619 -7.217 -7.893 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.074 -6.805 -7.529 1.00 0.00 H new ATOM 463 N TRP A 32 -2.623 -9.117 -5.361 1.00 0.00 N ATOM 464 CA TRP A 32 -4.039 -9.158 -5.516 1.00 0.00 C ATOM 465 C TRP A 32 -4.637 -8.554 -4.279 1.00 0.00 C ATOM 466 O TRP A 32 -4.154 -8.841 -3.175 1.00 0.00 O ATOM 467 CB TRP A 32 -4.492 -10.628 -5.647 1.00 0.00 C ATOM 468 CG TRP A 32 -5.945 -10.825 -5.974 1.00 0.00 C ATOM 469 CD1 TRP A 32 -6.999 -10.800 -5.104 1.00 0.00 C ATOM 470 CD2 TRP A 32 -6.497 -11.116 -7.263 1.00 0.00 C ATOM 471 NE1 TRP A 32 -8.167 -11.029 -5.778 1.00 0.00 N ATOM 472 CE2 TRP A 32 -7.889 -11.232 -7.103 1.00 0.00 C ATOM 473 CE3 TRP A 32 -5.949 -11.280 -8.541 1.00 0.00 C ATOM 474 CZ2 TRP A 32 -8.741 -11.506 -8.166 1.00 0.00 C ATOM 475 CZ3 TRP A 32 -6.798 -11.555 -9.597 1.00 0.00 C ATOM 476 CH2 TRP A 32 -8.181 -11.662 -9.402 1.00 0.00 C ATOM 0 H TRP A 32 -2.311 -9.072 -4.391 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.355 -8.612 -6.405 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.894 -11.108 -6.422 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.274 -11.143 -4.711 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.921 -10.625 -4.041 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -9.097 -11.046 -5.360 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.884 -11.193 -8.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -9.808 -11.592 -8.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.389 -11.689 -10.587 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -8.819 -11.873 -10.248 1.00 0.00 H new ATOM 487 N GLY A 33 -5.579 -7.659 -4.430 1.00 0.00 N ATOM 488 CA GLY A 33 -6.294 -7.257 -3.272 1.00 0.00 C ATOM 489 C GLY A 33 -7.465 -6.420 -3.591 1.00 0.00 C ATOM 490 O GLY A 33 -7.378 -5.498 -4.401 1.00 0.00 O ATOM 0 H GLY A 33 -5.853 -7.217 -5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.622 -8.142 -2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.626 -6.705 -2.611 1.00 0.00 H new ATOM 494 N SER A 34 -8.536 -6.719 -2.948 1.00 0.00 N ATOM 495 CA SER A 34 -9.750 -6.048 -3.100 1.00 0.00 C ATOM 496 C SER A 34 -10.102 -5.428 -1.782 1.00 0.00 C ATOM 497 O SER A 34 -9.902 -6.069 -0.757 1.00 0.00 O ATOM 498 CB SER A 34 -10.773 -7.060 -3.588 1.00 0.00 C ATOM 499 OG SER A 34 -10.654 -8.295 -2.868 1.00 0.00 O ATOM 0 H SER A 34 -8.578 -7.480 -2.270 1.00 0.00 H new ATOM 0 HA SER A 34 -9.708 -5.243 -3.833 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.778 -6.657 -3.463 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.632 -7.241 -4.654 1.00 0.00 H new ATOM 0 HG SER A 34 -11.323 -8.931 -3.197 1.00 0.00 H new ATOM 505 N ILE A 35 -10.564 -4.223 -1.762 1.00 0.00 N ATOM 506 CA ILE A 35 -11.006 -3.653 -0.490 1.00 0.00 C ATOM 507 C ILE A 35 -12.351 -3.022 -0.650 1.00 0.00 C ATOM 508 O ILE A 35 -12.677 -2.501 -1.734 1.00 0.00 O ATOM 509 CB ILE A 35 -10.024 -2.615 0.175 1.00 0.00 C ATOM 510 CG1 ILE A 35 -9.809 -1.375 -0.695 1.00 0.00 C ATOM 511 CG2 ILE A 35 -8.694 -3.256 0.544 1.00 0.00 C ATOM 512 CD1 ILE A 35 -8.990 -0.289 -0.024 1.00 0.00 C ATOM 0 H ILE A 35 -10.653 -3.612 -2.574 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.037 -4.503 0.192 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.505 -2.284 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.313 -1.673 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.780 -0.965 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.044 -2.509 1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.865 -4.068 1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.219 -3.651 -0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.881 0.557 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.495 0.038 0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.005 -0.680 0.229 1.00 0.00 H new ATOM 524 N LYS A 36 -13.145 -3.089 0.381 1.00 0.00 N ATOM 525 CA LYS A 36 -14.410 -2.454 0.361 1.00 0.00 C ATOM 526 C LYS A 36 -14.448 -1.423 1.472 1.00 0.00 C ATOM 527 O LYS A 36 -14.072 -1.712 2.606 1.00 0.00 O ATOM 528 CB LYS A 36 -15.573 -3.494 0.369 1.00 0.00 C ATOM 529 CG LYS A 36 -15.892 -4.242 1.664 1.00 0.00 C ATOM 530 CD LYS A 36 -16.799 -3.424 2.574 1.00 0.00 C ATOM 531 CE LYS A 36 -17.240 -4.224 3.775 1.00 0.00 C ATOM 532 NZ LYS A 36 -18.102 -3.435 4.678 1.00 0.00 N ATOM 0 H LYS A 36 -12.927 -3.583 1.246 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.563 -1.913 -0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.480 -2.976 0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -15.353 -4.239 -0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.373 -5.191 1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.965 -4.476 2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.273 -2.528 2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -17.674 -3.092 2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.779 -5.111 3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -16.363 -4.571 4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -18.383 -4.021 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -17.580 -2.602 5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.952 -3.125 4.164 1.00 0.00 H new ATOM 546 N GLY A 37 -14.839 -0.233 1.117 1.00 0.00 N ATOM 547 CA GLY A 37 -14.814 0.902 1.986 1.00 0.00 C ATOM 548 C GLY A 37 -16.092 1.669 1.876 1.00 0.00 C ATOM 549 O GLY A 37 -16.949 1.296 1.092 1.00 0.00 O ATOM 0 H GLY A 37 -15.195 -0.022 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -14.665 0.577 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.973 1.546 1.730 1.00 0.00 H new ATOM 553 N LEU A 38 -16.248 2.672 2.707 1.00 0.00 N ATOM 554 CA LEU A 38 -17.422 3.547 2.714 1.00 0.00 C ATOM 555 C LEU A 38 -17.460 4.427 1.440 1.00 0.00 C ATOM 556 O LEU A 38 -16.514 4.408 0.642 1.00 0.00 O ATOM 557 CB LEU A 38 -17.442 4.402 3.980 1.00 0.00 C ATOM 558 CG LEU A 38 -17.472 3.631 5.307 1.00 0.00 C ATOM 559 CD1 LEU A 38 -17.444 4.591 6.475 1.00 0.00 C ATOM 560 CD2 LEU A 38 -18.701 2.732 5.393 1.00 0.00 C ATOM 0 H LEU A 38 -15.556 2.917 3.415 1.00 0.00 H new ATOM 0 HA LEU A 38 -18.318 2.926 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.562 5.045 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -18.314 5.055 3.941 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.585 2.998 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.466 4.029 7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.534 5.189 6.433 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -18.312 5.248 6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.696 2.198 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -19.603 3.341 5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -18.684 2.014 4.573 1.00 0.00 H new ATOM 572 N THR A 39 -18.548 5.184 1.243 1.00 0.00 N ATOM 573 CA THR A 39 -18.749 5.912 -0.010 1.00 0.00 C ATOM 574 C THR A 39 -17.726 6.997 -0.191 1.00 0.00 C ATOM 575 O THR A 39 -17.715 7.989 0.516 1.00 0.00 O ATOM 576 CB THR A 39 -20.218 6.495 -0.107 1.00 0.00 C ATOM 577 OG1 THR A 39 -20.427 7.195 -1.335 1.00 0.00 O ATOM 578 CG2 THR A 39 -20.587 7.397 1.074 1.00 0.00 C ATOM 0 H THR A 39 -19.293 5.306 1.929 1.00 0.00 H new ATOM 0 HA THR A 39 -18.617 5.198 -0.823 1.00 0.00 H new ATOM 0 HB THR A 39 -20.877 5.628 -0.074 1.00 0.00 H new ATOM 0 HG1 THR A 39 -21.344 7.540 -1.363 1.00 0.00 H new ATOM 0 HG21 THR A 39 -21.606 7.764 0.947 1.00 0.00 H new ATOM 0 HG22 THR A 39 -20.519 6.828 2.001 1.00 0.00 H new ATOM 0 HG23 THR A 39 -19.900 8.242 1.115 1.00 0.00 H new ATOM 586 N GLU A 40 -16.885 6.760 -1.137 1.00 0.00 N ATOM 587 CA GLU A 40 -15.803 7.587 -1.451 1.00 0.00 C ATOM 588 C GLU A 40 -15.206 7.287 -2.749 1.00 0.00 C ATOM 589 O GLU A 40 -15.733 6.507 -3.514 1.00 0.00 O ATOM 590 CB GLU A 40 -14.758 7.750 -0.388 1.00 0.00 C ATOM 591 CG GLU A 40 -14.882 9.082 0.335 1.00 0.00 C ATOM 592 CD GLU A 40 -15.131 10.217 -0.637 1.00 0.00 C ATOM 593 OE1 GLU A 40 -14.269 10.492 -1.477 1.00 0.00 O ATOM 594 OE2 GLU A 40 -16.233 10.785 -0.639 1.00 0.00 O ATOM 0 H GLU A 40 -16.949 5.937 -1.736 1.00 0.00 H new ATOM 0 HA GLU A 40 -16.275 8.567 -1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.845 6.937 0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.768 7.673 -0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.698 9.032 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.970 9.278 0.899 1.00 0.00 H new ATOM 601 N GLY A 41 -14.256 8.090 -3.036 1.00 0.00 N ATOM 602 CA GLY A 41 -13.495 8.115 -4.215 1.00 0.00 C ATOM 603 C GLY A 41 -12.672 6.864 -4.488 1.00 0.00 C ATOM 604 O GLY A 41 -13.032 5.763 -4.096 1.00 0.00 O ATOM 0 H GLY A 41 -13.966 8.818 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -14.167 8.278 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.821 8.971 -4.174 1.00 0.00 H new ATOM 608 N LEU A 42 -11.517 7.036 -5.095 1.00 0.00 N ATOM 609 CA LEU A 42 -10.888 5.989 -5.721 1.00 0.00 C ATOM 610 C LEU A 42 -9.513 6.431 -6.179 1.00 0.00 C ATOM 611 O LEU A 42 -9.377 7.135 -7.160 1.00 0.00 O ATOM 612 CB LEU A 42 -11.741 5.479 -6.917 1.00 0.00 C ATOM 613 CG LEU A 42 -12.025 6.428 -8.121 1.00 0.00 C ATOM 614 CD1 LEU A 42 -12.457 5.613 -9.310 1.00 0.00 C ATOM 615 CD2 LEU A 42 -13.115 7.440 -7.806 1.00 0.00 C ATOM 0 H LEU A 42 -11.020 7.925 -5.145 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.775 5.162 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.250 4.589 -7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.704 5.161 -6.518 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.104 6.971 -8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.656 6.276 -10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.666 4.913 -9.578 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.363 5.060 -9.062 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -13.279 8.080 -8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.039 6.916 -7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.810 8.051 -6.957 1.00 0.00 H new ATOM 627 N HIS A 43 -8.545 6.060 -5.404 1.00 0.00 N ATOM 628 CA HIS A 43 -7.119 6.279 -5.592 1.00 0.00 C ATOM 629 C HIS A 43 -6.519 5.872 -4.293 1.00 0.00 C ATOM 630 O HIS A 43 -7.263 5.520 -3.381 1.00 0.00 O ATOM 631 CB HIS A 43 -6.719 7.754 -5.893 1.00 0.00 C ATOM 632 CG HIS A 43 -6.318 8.050 -7.326 1.00 0.00 C ATOM 633 ND1 HIS A 43 -5.016 8.260 -7.711 1.00 0.00 N ATOM 634 CD2 HIS A 43 -7.054 8.215 -8.452 1.00 0.00 C ATOM 635 CE1 HIS A 43 -4.977 8.539 -8.992 1.00 0.00 C ATOM 636 NE2 HIS A 43 -6.197 8.516 -9.467 1.00 0.00 N ATOM 0 H HIS A 43 -8.734 5.549 -4.542 1.00 0.00 H new ATOM 0 HA HIS A 43 -6.775 5.718 -6.461 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.557 8.399 -5.630 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.890 8.026 -5.240 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.204 8.207 -7.095 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.127 8.124 -8.530 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.085 8.753 -9.562 1.00 0.00 H new ATOM 645 N GLY A 44 -5.254 5.802 -4.231 1.00 0.00 N ATOM 646 CA GLY A 44 -4.605 5.592 -2.979 1.00 0.00 C ATOM 647 C GLY A 44 -4.109 4.217 -2.719 1.00 0.00 C ATOM 648 O GLY A 44 -4.591 3.550 -1.780 1.00 0.00 O ATOM 0 H GLY A 44 -4.629 5.886 -5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.761 6.279 -2.911 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.300 5.861 -2.184 1.00 0.00 H new ATOM 652 N PHE A 45 -3.149 3.751 -3.492 1.00 0.00 N ATOM 653 CA PHE A 45 -2.618 2.481 -3.173 1.00 0.00 C ATOM 654 C PHE A 45 -1.673 2.593 -1.978 1.00 0.00 C ATOM 655 O PHE A 45 -0.862 3.495 -1.848 1.00 0.00 O ATOM 656 CB PHE A 45 -1.990 1.749 -4.342 1.00 0.00 C ATOM 657 CG PHE A 45 -1.928 0.249 -4.106 1.00 0.00 C ATOM 658 CD1 PHE A 45 -0.871 -0.331 -3.418 1.00 0.00 C ATOM 659 CD2 PHE A 45 -2.941 -0.573 -4.574 1.00 0.00 C ATOM 660 CE1 PHE A 45 -0.831 -1.693 -3.200 1.00 0.00 C ATOM 661 CE2 PHE A 45 -2.907 -1.937 -4.358 1.00 0.00 C ATOM 662 CZ PHE A 45 -1.848 -2.498 -3.674 1.00 0.00 C ATOM 0 H PHE A 45 -2.748 4.220 -4.304 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.464 1.852 -2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.564 1.950 -5.247 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.983 2.132 -4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.070 0.292 -3.049 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.769 -0.141 -5.116 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.004 -2.129 -2.659 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.708 -2.563 -4.724 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.815 -3.565 -3.510 1.00 0.00 H new ATOM 672 N HIS A 46 -1.859 1.686 -1.119 1.00 0.00 N ATOM 673 CA HIS A 46 -1.207 1.566 0.150 1.00 0.00 C ATOM 674 C HIS A 46 0.143 0.833 0.122 1.00 0.00 C ATOM 675 O HIS A 46 0.183 -0.395 0.066 1.00 0.00 O ATOM 676 CB HIS A 46 -2.175 0.853 1.099 1.00 0.00 C ATOM 677 CG HIS A 46 -3.035 -0.221 0.426 1.00 0.00 C ATOM 678 ND1 HIS A 46 -4.384 -0.061 0.205 1.00 0.00 N ATOM 679 CD2 HIS A 46 -2.718 -1.420 -0.130 1.00 0.00 C ATOM 680 CE1 HIS A 46 -4.856 -1.095 -0.449 1.00 0.00 C ATOM 681 NE2 HIS A 46 -3.867 -1.934 -0.668 1.00 0.00 N ATOM 0 H HIS A 46 -2.526 0.931 -1.279 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.962 2.574 0.485 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.603 0.393 1.905 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.831 1.594 1.556 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.742 -1.881 -0.145 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.882 -1.234 -0.756 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.944 -2.824 -1.160 1.00 0.00 H new ATOM 690 N VAL A 47 1.225 1.591 0.142 1.00 0.00 N ATOM 691 CA VAL A 47 2.580 1.043 0.301 1.00 0.00 C ATOM 692 C VAL A 47 3.294 1.833 1.436 1.00 0.00 C ATOM 693 O VAL A 47 3.803 2.901 1.232 1.00 0.00 O ATOM 694 CB VAL A 47 3.428 1.101 -1.027 1.00 0.00 C ATOM 695 CG1 VAL A 47 4.752 0.399 -0.864 1.00 0.00 C ATOM 696 CG2 VAL A 47 2.667 0.516 -2.208 1.00 0.00 C ATOM 0 H VAL A 47 1.199 2.606 0.049 1.00 0.00 H new ATOM 0 HA VAL A 47 2.494 -0.013 0.556 1.00 0.00 H new ATOM 0 HB VAL A 47 3.617 2.154 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.312 0.457 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.322 0.878 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.580 -0.647 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.285 0.574 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.423 -0.526 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.748 1.080 -2.364 1.00 0.00 H new ATOM 706 N HIS A 48 3.146 1.351 2.647 1.00 0.00 N ATOM 707 CA HIS A 48 3.767 1.966 3.858 1.00 0.00 C ATOM 708 C HIS A 48 4.949 1.147 4.422 1.00 0.00 C ATOM 709 O HIS A 48 4.746 0.157 5.038 1.00 0.00 O ATOM 710 CB HIS A 48 2.656 2.108 4.941 1.00 0.00 C ATOM 711 CG HIS A 48 3.078 2.388 6.390 1.00 0.00 C ATOM 712 ND1 HIS A 48 2.585 3.423 7.130 1.00 0.00 N ATOM 713 CD2 HIS A 48 3.860 1.692 7.250 1.00 0.00 C ATOM 714 CE1 HIS A 48 3.056 3.341 8.354 1.00 0.00 C ATOM 715 NE2 HIS A 48 3.822 2.314 8.442 1.00 0.00 N ATOM 0 H HIS A 48 2.594 0.518 2.850 1.00 0.00 H new ATOM 0 HA HIS A 48 4.181 2.934 3.574 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.989 2.912 4.629 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.070 1.189 4.938 1.00 0.00 H new ATOM 0 HD1 HIS A 48 1.952 4.145 6.788 1.00 0.00 H new ATOM 0 HD2 HIS A 48 4.416 0.795 7.019 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.834 4.028 9.158 1.00 0.00 H new ATOM 724 N GLU A 49 6.129 1.583 4.269 1.00 0.00 N ATOM 725 CA GLU A 49 7.263 0.866 4.895 1.00 0.00 C ATOM 726 C GLU A 49 7.578 1.378 6.322 1.00 0.00 C ATOM 727 O GLU A 49 7.547 2.580 6.564 1.00 0.00 O ATOM 728 CB GLU A 49 8.485 0.844 3.986 1.00 0.00 C ATOM 729 CG GLU A 49 8.397 -0.206 2.871 1.00 0.00 C ATOM 730 CD GLU A 49 7.117 -0.126 2.060 1.00 0.00 C ATOM 731 OE1 GLU A 49 6.927 0.877 1.375 1.00 0.00 O ATOM 732 OE2 GLU A 49 6.279 -1.083 2.110 1.00 0.00 O ATOM 0 H GLU A 49 6.380 2.414 3.734 1.00 0.00 H new ATOM 0 HA GLU A 49 6.952 -0.171 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.613 1.829 3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.373 0.650 4.588 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.249 -0.085 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.476 -1.200 3.312 1.00 0.00 H new ATOM 739 N PHE A 50 7.813 0.444 7.233 1.00 0.00 N ATOM 740 CA PHE A 50 8.041 0.676 8.678 1.00 0.00 C ATOM 741 C PHE A 50 6.758 1.115 9.380 1.00 0.00 C ATOM 742 O PHE A 50 6.389 2.291 9.348 1.00 0.00 O ATOM 743 CB PHE A 50 9.201 1.679 8.939 1.00 0.00 C ATOM 744 CG PHE A 50 9.609 1.792 10.380 1.00 0.00 C ATOM 745 CD1 PHE A 50 10.206 0.722 11.022 1.00 0.00 C ATOM 746 CD2 PHE A 50 9.390 2.953 11.091 1.00 0.00 C ATOM 747 CE1 PHE A 50 10.582 0.813 12.343 1.00 0.00 C ATOM 748 CE2 PHE A 50 9.762 3.054 12.414 1.00 0.00 C ATOM 749 CZ PHE A 50 10.358 1.981 13.042 1.00 0.00 C ATOM 0 H PHE A 50 7.855 -0.545 6.988 1.00 0.00 H new ATOM 0 HA PHE A 50 8.347 -0.279 9.106 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.067 1.375 8.351 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.902 2.664 8.580 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.379 -0.196 10.480 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.920 3.795 10.604 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.051 -0.028 12.831 1.00 0.00 H new ATOM 0 HE2 PHE A 50 9.587 3.971 12.957 1.00 0.00 H new ATOM 0 HZ PHE A 50 10.649 2.055 14.079 1.00 0.00 H new ATOM 759 N GLY A 51 6.014 0.180 9.948 1.00 0.00 N ATOM 760 CA GLY A 51 4.810 0.569 10.647 1.00 0.00 C ATOM 761 C GLY A 51 4.797 0.166 12.073 1.00 0.00 C ATOM 762 O GLY A 51 5.203 0.933 12.943 1.00 0.00 O ATOM 0 H GLY A 51 6.216 -0.820 9.939 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.696 1.651 10.583 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.949 0.127 10.145 1.00 0.00 H new ATOM 766 N ASP A 52 4.263 -1.005 12.286 1.00 0.00 N ATOM 767 CA ASP A 52 4.149 -1.697 13.562 1.00 0.00 C ATOM 768 C ASP A 52 3.041 -1.142 14.426 1.00 0.00 C ATOM 769 O ASP A 52 2.451 -1.877 15.214 1.00 0.00 O ATOM 770 CB ASP A 52 5.487 -1.822 14.312 1.00 0.00 C ATOM 771 CG ASP A 52 5.376 -2.630 15.592 1.00 0.00 C ATOM 772 OD1 ASP A 52 5.078 -3.834 15.534 1.00 0.00 O ATOM 773 OD2 ASP A 52 5.638 -2.079 16.690 1.00 0.00 O ATOM 0 H ASP A 52 3.863 -1.550 11.522 1.00 0.00 H new ATOM 0 HA ASP A 52 3.861 -2.719 13.316 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.222 -2.289 13.657 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.859 -0.825 14.549 1.00 0.00 H new ATOM 778 N ASN A 53 2.674 0.115 14.251 1.00 0.00 N ATOM 779 CA ASN A 53 1.542 0.588 14.993 1.00 0.00 C ATOM 780 C ASN A 53 0.350 0.327 14.129 1.00 0.00 C ATOM 781 O ASN A 53 0.123 1.038 13.178 1.00 0.00 O ATOM 782 CB ASN A 53 1.642 2.077 15.380 1.00 0.00 C ATOM 783 CG ASN A 53 2.773 2.404 16.357 1.00 0.00 C ATOM 784 OD1 ASN A 53 3.843 1.794 16.340 1.00 0.00 O ATOM 785 ND2 ASN A 53 2.537 3.348 17.228 1.00 0.00 N ATOM 0 H ASN A 53 3.123 0.790 13.632 1.00 0.00 H new ATOM 0 HA ASN A 53 1.477 0.066 15.948 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.780 2.666 14.474 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.696 2.389 15.822 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.248 3.596 17.916 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.642 3.837 17.220 1.00 0.00 H new ATOM 792 N THR A 54 -0.353 -0.759 14.399 1.00 0.00 N ATOM 793 CA THR A 54 -1.455 -1.223 13.565 1.00 0.00 C ATOM 794 C THR A 54 -2.556 -0.167 13.374 1.00 0.00 C ATOM 795 O THR A 54 -3.137 -0.073 12.329 1.00 0.00 O ATOM 796 CB THR A 54 -2.030 -2.600 14.059 1.00 0.00 C ATOM 797 OG1 THR A 54 -2.911 -3.163 13.081 1.00 0.00 O ATOM 798 CG2 THR A 54 -2.774 -2.469 15.377 1.00 0.00 C ATOM 0 H THR A 54 -0.176 -1.351 15.210 1.00 0.00 H new ATOM 0 HA THR A 54 -1.031 -1.391 12.575 1.00 0.00 H new ATOM 0 HB THR A 54 -1.174 -3.258 14.209 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.257 -4.020 13.407 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.154 -3.445 15.679 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.096 -2.091 16.142 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.608 -1.777 15.257 1.00 0.00 H new ATOM 806 N ALA A 55 -2.772 0.659 14.347 1.00 0.00 N ATOM 807 CA ALA A 55 -3.782 1.674 14.236 1.00 0.00 C ATOM 808 C ALA A 55 -3.155 3.033 13.974 1.00 0.00 C ATOM 809 O ALA A 55 -3.833 4.057 14.053 1.00 0.00 O ATOM 810 CB ALA A 55 -4.638 1.708 15.496 1.00 0.00 C ATOM 0 H ALA A 55 -2.264 0.654 15.231 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.423 1.431 13.389 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.399 2.482 15.398 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.120 0.740 15.635 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.008 1.926 16.358 1.00 0.00 H new ATOM 816 N GLY A 56 -1.872 3.061 13.625 1.00 0.00 N ATOM 817 CA GLY A 56 -1.263 4.334 13.430 1.00 0.00 C ATOM 818 C GLY A 56 -0.075 4.298 12.526 1.00 0.00 C ATOM 819 O GLY A 56 0.961 3.723 12.845 1.00 0.00 O ATOM 0 H GLY A 56 -1.273 2.248 13.481 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.002 5.021 13.018 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.960 4.734 14.398 1.00 0.00 H new ATOM 823 N CYS A 57 -0.199 4.870 11.389 1.00 0.00 N ATOM 824 CA CYS A 57 0.916 5.005 10.567 1.00 0.00 C ATOM 825 C CYS A 57 1.491 6.361 10.835 1.00 0.00 C ATOM 826 O CYS A 57 1.142 7.336 10.185 1.00 0.00 O ATOM 827 CB CYS A 57 0.424 4.946 9.149 1.00 0.00 C ATOM 828 SG CYS A 57 -0.476 3.389 8.743 1.00 0.00 S ATOM 0 H CYS A 57 -1.069 5.250 11.015 1.00 0.00 H new ATOM 0 HA CYS A 57 1.664 4.232 10.742 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.235 5.795 8.967 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.273 5.051 8.474 1.00 0.00 H new ATOM 833 N THR A 58 2.304 6.417 11.842 1.00 0.00 N ATOM 834 CA THR A 58 2.956 7.615 12.229 1.00 0.00 C ATOM 835 C THR A 58 4.169 7.813 11.373 1.00 0.00 C ATOM 836 O THR A 58 4.376 8.864 10.764 1.00 0.00 O ATOM 837 CB THR A 58 3.328 7.544 13.730 1.00 0.00 C ATOM 838 OG1 THR A 58 2.159 7.115 14.474 1.00 0.00 O ATOM 839 CG2 THR A 58 3.771 8.908 14.247 1.00 0.00 C ATOM 0 H THR A 58 2.534 5.613 12.426 1.00 0.00 H new ATOM 0 HA THR A 58 2.292 8.468 12.088 1.00 0.00 H new ATOM 0 HB THR A 58 4.151 6.841 13.858 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.379 7.063 15.428 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.027 8.831 15.304 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.643 9.244 13.686 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.960 9.626 14.121 1.00 0.00 H new ATOM 847 N SER A 59 4.918 6.745 11.280 1.00 0.00 N ATOM 848 CA SER A 59 6.180 6.742 10.659 1.00 0.00 C ATOM 849 C SER A 59 6.120 6.869 9.169 1.00 0.00 C ATOM 850 O SER A 59 6.729 7.764 8.585 1.00 0.00 O ATOM 851 CB SER A 59 6.837 5.438 11.033 1.00 0.00 C ATOM 852 OG SER A 59 5.882 4.367 10.897 1.00 0.00 O ATOM 0 H SER A 59 4.642 5.836 11.651 1.00 0.00 H new ATOM 0 HA SER A 59 6.741 7.612 11.001 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.699 5.255 10.392 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.206 5.484 12.058 1.00 0.00 H new ATOM 0 HG SER A 59 6.314 3.595 10.475 1.00 0.00 H new ATOM 858 N ALA A 60 5.383 5.989 8.554 1.00 0.00 N ATOM 859 CA ALA A 60 5.254 6.031 7.115 1.00 0.00 C ATOM 860 C ALA A 60 4.183 6.943 6.575 1.00 0.00 C ATOM 861 O ALA A 60 3.881 6.868 5.400 1.00 0.00 O ATOM 862 CB ALA A 60 5.294 4.717 6.482 1.00 0.00 C ATOM 0 H ALA A 60 4.866 5.240 9.014 1.00 0.00 H new ATOM 0 HA ALA A 60 6.170 6.531 6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.191 4.830 5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.244 4.233 6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.476 4.105 6.862 1.00 0.00 H new ATOM 868 N GLY A 61 3.446 7.569 7.489 1.00 0.00 N ATOM 869 CA GLY A 61 2.475 8.646 7.181 1.00 0.00 C ATOM 870 C GLY A 61 3.003 9.706 6.150 1.00 0.00 C ATOM 871 O GLY A 61 3.565 9.371 5.131 1.00 0.00 O ATOM 0 H GLY A 61 3.498 7.348 8.483 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.562 8.197 6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.208 9.156 8.107 1.00 0.00 H new ATOM 875 N PRO A 62 2.740 10.996 6.345 1.00 0.00 N ATOM 876 CA PRO A 62 3.181 12.063 5.395 1.00 0.00 C ATOM 877 C PRO A 62 4.738 12.163 5.188 1.00 0.00 C ATOM 878 O PRO A 62 5.227 13.077 4.522 1.00 0.00 O ATOM 879 CB PRO A 62 2.646 13.347 6.039 1.00 0.00 C ATOM 880 CG PRO A 62 2.445 13.000 7.475 1.00 0.00 C ATOM 881 CD PRO A 62 2.022 11.562 7.495 1.00 0.00 C ATOM 0 HA PRO A 62 2.806 11.859 4.392 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.352 14.170 5.926 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.712 13.663 5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.363 13.145 8.044 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.685 13.637 7.928 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.301 11.071 8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 62 0.942 11.456 7.390 1.00 0.00 H new ATOM 889 N HIS A 63 5.495 11.248 5.771 1.00 0.00 N ATOM 890 CA HIS A 63 6.946 11.205 5.643 1.00 0.00 C ATOM 891 C HIS A 63 7.365 9.920 4.942 1.00 0.00 C ATOM 892 O HIS A 63 7.239 8.829 5.504 1.00 0.00 O ATOM 893 CB HIS A 63 7.644 11.332 7.013 1.00 0.00 C ATOM 894 CG HIS A 63 7.651 12.724 7.585 1.00 0.00 C ATOM 895 ND1 HIS A 63 8.606 13.167 8.463 1.00 0.00 N ATOM 896 CD2 HIS A 63 6.830 13.780 7.378 1.00 0.00 C ATOM 897 CE1 HIS A 63 8.378 14.423 8.763 1.00 0.00 C ATOM 898 NE2 HIS A 63 7.307 14.823 8.117 1.00 0.00 N ATOM 0 H HIS A 63 5.115 10.503 6.355 1.00 0.00 H new ATOM 0 HA HIS A 63 7.259 12.059 5.042 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.151 10.665 7.720 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.674 10.988 6.915 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.956 13.794 6.743 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.973 15.028 9.431 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.900 15.757 8.160 1.00 0.00 H new ATOM 907 N PHE A 64 7.858 10.060 3.722 1.00 0.00 N ATOM 908 CA PHE A 64 8.216 8.918 2.889 1.00 0.00 C ATOM 909 C PHE A 64 9.500 8.243 3.328 1.00 0.00 C ATOM 910 O PHE A 64 10.368 8.867 3.931 1.00 0.00 O ATOM 911 CB PHE A 64 8.278 9.307 1.387 1.00 0.00 C ATOM 912 CG PHE A 64 9.265 10.390 1.015 1.00 0.00 C ATOM 913 CD1 PHE A 64 8.892 11.725 1.039 1.00 0.00 C ATOM 914 CD2 PHE A 64 10.551 10.068 0.613 1.00 0.00 C ATOM 915 CE1 PHE A 64 9.782 12.717 0.680 1.00 0.00 C ATOM 916 CE2 PHE A 64 11.442 11.055 0.249 1.00 0.00 C ATOM 917 CZ PHE A 64 11.059 12.380 0.282 1.00 0.00 C ATOM 0 H PHE A 64 8.022 10.965 3.280 1.00 0.00 H new ATOM 0 HA PHE A 64 7.419 8.187 3.021 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.519 8.413 0.812 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.284 9.628 1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.891 11.993 1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.859 9.033 0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.480 13.753 0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.442 10.790 -0.063 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.758 13.152 -0.003 1.00 0.00 H new ATOM 927 N ASN A 65 9.605 6.969 3.045 1.00 0.00 N ATOM 928 CA ASN A 65 10.798 6.210 3.346 1.00 0.00 C ATOM 929 C ASN A 65 11.436 5.730 2.061 1.00 0.00 C ATOM 930 O ASN A 65 10.740 5.389 1.125 1.00 0.00 O ATOM 931 CB ASN A 65 10.490 5.014 4.279 1.00 0.00 C ATOM 932 CG ASN A 65 10.256 5.437 5.718 1.00 0.00 C ATOM 933 OD1 ASN A 65 10.822 6.421 6.181 1.00 0.00 O ATOM 934 ND2 ASN A 65 9.439 4.717 6.438 1.00 0.00 N ATOM 0 H ASN A 65 8.866 6.426 2.599 1.00 0.00 H new ATOM 0 HA ASN A 65 11.494 6.863 3.872 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.608 4.489 3.911 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.319 4.308 4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.259 4.969 7.410 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.981 3.903 6.029 1.00 0.00 H new ATOM 941 N PRO A 66 12.773 5.679 1.996 1.00 0.00 N ATOM 942 CA PRO A 66 13.483 5.193 0.802 1.00 0.00 C ATOM 943 C PRO A 66 13.352 3.668 0.642 1.00 0.00 C ATOM 944 O PRO A 66 13.699 3.091 -0.398 1.00 0.00 O ATOM 945 CB PRO A 66 14.945 5.586 1.067 1.00 0.00 C ATOM 946 CG PRO A 66 15.060 5.708 2.548 1.00 0.00 C ATOM 947 CD PRO A 66 13.711 6.148 3.046 1.00 0.00 C ATOM 0 HA PRO A 66 13.082 5.617 -0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 66 15.631 4.832 0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 66 15.195 6.526 0.575 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.347 4.756 2.995 1.00 0.00 H new ATOM 0 HG3 PRO A 66 15.829 6.432 2.819 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.479 5.706 4.015 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.664 7.230 3.169 1.00 0.00 H new ATOM 955 N LEU A 67 12.885 3.021 1.696 1.00 0.00 N ATOM 956 CA LEU A 67 12.712 1.599 1.702 1.00 0.00 C ATOM 957 C LEU A 67 11.435 1.276 1.018 1.00 0.00 C ATOM 958 O LEU A 67 11.143 0.117 0.716 1.00 0.00 O ATOM 959 CB LEU A 67 12.725 1.001 3.110 1.00 0.00 C ATOM 960 CG LEU A 67 14.007 1.158 3.954 1.00 0.00 C ATOM 961 CD1 LEU A 67 15.254 0.751 3.180 1.00 0.00 C ATOM 962 CD2 LEU A 67 14.135 2.548 4.549 1.00 0.00 C ATOM 0 H LEU A 67 12.618 3.478 2.568 1.00 0.00 H new ATOM 0 HA LEU A 67 13.557 1.155 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.901 1.445 3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.512 -0.064 3.022 1.00 0.00 H new ATOM 0 HG LEU A 67 13.916 0.467 4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 67 16.132 0.878 3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.171 -0.293 2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.352 1.377 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 67 15.052 2.610 5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 67 14.166 3.286 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.279 2.748 5.194 1.00 0.00 H new ATOM 974 N SER A 68 10.665 2.318 0.743 1.00 0.00 N ATOM 975 CA SER A 68 9.495 2.209 -0.027 1.00 0.00 C ATOM 976 C SER A 68 9.884 2.144 -1.504 1.00 0.00 C ATOM 977 O SER A 68 9.732 3.073 -2.284 1.00 0.00 O ATOM 978 CB SER A 68 8.527 3.334 0.300 1.00 0.00 C ATOM 979 OG SER A 68 8.137 3.251 1.662 1.00 0.00 O ATOM 0 H SER A 68 10.862 3.265 1.066 1.00 0.00 H new ATOM 0 HA SER A 68 8.961 1.290 0.214 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.996 4.298 0.105 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.650 3.270 -0.344 1.00 0.00 H new ATOM 0 HG SER A 68 7.540 2.484 1.785 1.00 0.00 H new ATOM 985 N ARG A 69 10.544 1.055 -1.793 1.00 0.00 N ATOM 986 CA ARG A 69 10.960 0.639 -3.060 1.00 0.00 C ATOM 987 C ARG A 69 10.251 -0.638 -3.300 1.00 0.00 C ATOM 988 O ARG A 69 10.594 -1.430 -4.146 1.00 0.00 O ATOM 989 CB ARG A 69 12.484 0.497 -3.108 1.00 0.00 C ATOM 990 CG ARG A 69 13.116 -0.382 -2.039 1.00 0.00 C ATOM 991 CD ARG A 69 14.627 -0.239 -2.109 1.00 0.00 C ATOM 992 NE ARG A 69 15.020 1.186 -2.032 1.00 0.00 N ATOM 993 CZ ARG A 69 16.046 1.749 -2.705 1.00 0.00 C ATOM 994 NH1 ARG A 69 16.894 0.991 -3.403 1.00 0.00 N ATOM 995 NH2 ARG A 69 16.218 3.067 -2.662 1.00 0.00 N ATOM 0 H ARG A 69 10.817 0.393 -1.066 1.00 0.00 H new ATOM 0 HA ARG A 69 10.721 1.360 -3.842 1.00 0.00 H new ATOM 0 HB2 ARG A 69 12.759 0.099 -4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 69 12.922 1.492 -3.035 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.756 -0.092 -1.052 1.00 0.00 H new ATOM 0 HG3 ARG A 69 12.829 -1.423 -2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.088 -0.794 -1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 69 14.996 -0.674 -3.038 1.00 0.00 H new ATOM 0 HE ARG A 69 14.471 1.791 -1.421 1.00 0.00 H new ATOM 0 HH11 ARG A 69 16.769 -0.021 -3.431 1.00 0.00 H new ATOM 0 HH12 ARG A 69 17.667 1.424 -3.909 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.576 3.648 -2.122 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.992 3.497 -3.169 1.00 0.00 H new ATOM 1009 N LYS A 70 9.153 -0.746 -2.577 1.00 0.00 N ATOM 1010 CA LYS A 70 8.215 -1.855 -2.659 1.00 0.00 C ATOM 1011 C LYS A 70 7.313 -1.711 -3.854 1.00 0.00 C ATOM 1012 O LYS A 70 6.273 -2.374 -3.934 1.00 0.00 O ATOM 1013 CB LYS A 70 7.368 -1.928 -1.399 1.00 0.00 C ATOM 1014 CG LYS A 70 8.069 -2.531 -0.220 1.00 0.00 C ATOM 1015 CD LYS A 70 8.386 -3.989 -0.463 1.00 0.00 C ATOM 1016 CE LYS A 70 7.139 -4.864 -0.595 1.00 0.00 C ATOM 1017 NZ LYS A 70 7.490 -6.259 -0.952 1.00 0.00 N ATOM 0 H LYS A 70 8.878 -0.042 -1.893 1.00 0.00 H new ATOM 0 HA LYS A 70 8.795 -2.772 -2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.040 -0.922 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.471 -2.510 -1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.990 -1.983 -0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.443 -2.435 0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.982 -4.078 -1.371 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.998 -4.362 0.358 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.586 -4.856 0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.480 -4.447 -1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.020 -6.914 -0.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.176 -6.458 -1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.520 -6.385 -0.889 1.00 0.00 H new ATOM 1031 N HIS A 71 7.761 -0.882 -4.783 1.00 0.00 N ATOM 1032 CA HIS A 71 7.106 -0.586 -6.011 1.00 0.00 C ATOM 1033 C HIS A 71 5.924 0.335 -5.815 1.00 0.00 C ATOM 1034 O HIS A 71 4.810 -0.134 -5.579 1.00 0.00 O ATOM 1035 CB HIS A 71 6.731 -1.882 -6.783 1.00 0.00 C ATOM 1036 CG HIS A 71 5.948 -1.707 -8.045 1.00 0.00 C ATOM 1037 ND1 HIS A 71 4.601 -1.460 -8.057 1.00 0.00 N ATOM 1038 CD2 HIS A 71 6.315 -1.816 -9.327 1.00 0.00 C ATOM 1039 CE1 HIS A 71 4.175 -1.440 -9.283 1.00 0.00 C ATOM 1040 NE2 HIS A 71 5.198 -1.657 -10.086 1.00 0.00 N ATOM 0 H HIS A 71 8.642 -0.378 -4.678 1.00 0.00 H new ATOM 0 HA HIS A 71 7.815 -0.042 -6.635 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.652 -2.413 -7.024 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.159 -2.524 -6.113 1.00 0.00 H new ATOM 0 HD1 HIS A 71 4.022 -1.314 -7.230 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.315 -1.997 -9.692 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.154 -1.274 -9.593 1.00 0.00 H new ATOM 1049 N GLY A 72 6.179 1.650 -5.840 1.00 0.00 N ATOM 1050 CA GLY A 72 5.124 2.546 -5.887 1.00 0.00 C ATOM 1051 C GLY A 72 4.586 2.570 -7.289 1.00 0.00 C ATOM 1052 O GLY A 72 3.805 1.681 -7.696 1.00 0.00 O ATOM 0 H GLY A 72 7.109 2.068 -5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.343 2.250 -5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.458 3.541 -5.591 1.00 0.00 H new ATOM 1056 N GLY A 73 5.013 3.561 -8.037 1.00 0.00 N ATOM 1057 CA GLY A 73 4.708 3.629 -9.431 1.00 0.00 C ATOM 1058 C GLY A 73 5.036 2.317 -10.127 1.00 0.00 C ATOM 1059 O GLY A 73 5.913 1.557 -9.661 1.00 0.00 O ATOM 0 H GLY A 73 5.579 4.335 -7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.651 3.861 -9.565 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.273 4.440 -9.891 1.00 0.00 H new ATOM 1063 N PRO A 74 4.421 2.059 -11.274 1.00 0.00 N ATOM 1064 CA PRO A 74 4.492 0.765 -11.998 1.00 0.00 C ATOM 1065 C PRO A 74 5.896 0.375 -12.461 1.00 0.00 C ATOM 1066 O PRO A 74 6.098 -0.685 -13.052 1.00 0.00 O ATOM 1067 CB PRO A 74 3.582 0.988 -13.200 1.00 0.00 C ATOM 1068 CG PRO A 74 3.586 2.457 -13.394 1.00 0.00 C ATOM 1069 CD PRO A 74 3.617 3.031 -12.016 1.00 0.00 C ATOM 0 HA PRO A 74 4.197 -0.058 -11.347 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.955 0.469 -14.083 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.576 0.614 -13.012 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.452 2.776 -13.973 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.700 2.785 -13.938 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.068 4.023 -12.002 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.616 3.130 -11.597 1.00 0.00 H new ATOM 1077 N LYS A 75 6.839 1.204 -12.170 1.00 0.00 N ATOM 1078 CA LYS A 75 8.212 1.037 -12.626 1.00 0.00 C ATOM 1079 C LYS A 75 9.149 0.936 -11.436 1.00 0.00 C ATOM 1080 O LYS A 75 10.369 1.056 -11.578 1.00 0.00 O ATOM 1081 CB LYS A 75 8.636 2.187 -13.558 1.00 0.00 C ATOM 1082 CG LYS A 75 8.619 3.569 -12.924 1.00 0.00 C ATOM 1083 CD LYS A 75 9.151 4.618 -13.888 1.00 0.00 C ATOM 1084 CE LYS A 75 9.200 5.987 -13.242 1.00 0.00 C ATOM 1085 NZ LYS A 75 9.735 7.016 -14.149 1.00 0.00 N ATOM 0 H LYS A 75 6.694 2.037 -11.600 1.00 0.00 H new ATOM 0 HA LYS A 75 8.270 0.111 -13.199 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.642 1.985 -13.925 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.976 2.194 -14.425 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.602 3.825 -12.628 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.223 3.564 -12.017 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.150 4.335 -14.221 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.518 4.655 -14.774 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.197 6.272 -12.924 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.817 5.941 -12.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.749 7.935 -13.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.702 6.760 -14.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.132 7.081 -14.994 1.00 0.00 H new ATOM 1099 N ASP A 76 8.549 0.731 -10.272 1.00 0.00 N ATOM 1100 CA ASP A 76 9.252 0.543 -9.006 1.00 0.00 C ATOM 1101 C ASP A 76 9.869 1.809 -8.500 1.00 0.00 C ATOM 1102 O ASP A 76 11.078 2.017 -8.613 1.00 0.00 O ATOM 1103 CB ASP A 76 10.295 -0.566 -9.046 1.00 0.00 C ATOM 1104 CG ASP A 76 9.733 -1.934 -9.245 1.00 0.00 C ATOM 1105 OD1 ASP A 76 9.282 -2.250 -10.353 1.00 0.00 O ATOM 1106 OD2 ASP A 76 9.743 -2.739 -8.305 1.00 0.00 O ATOM 0 H ASP A 76 7.534 0.689 -10.177 1.00 0.00 H new ATOM 0 HA ASP A 76 8.476 0.232 -8.306 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.000 -0.356 -9.850 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.860 -0.551 -8.114 1.00 0.00 H new ATOM 1111 N GLU A 77 9.036 2.664 -7.959 1.00 0.00 N ATOM 1112 CA GLU A 77 9.480 3.930 -7.426 1.00 0.00 C ATOM 1113 C GLU A 77 10.108 3.772 -6.043 1.00 0.00 C ATOM 1114 O GLU A 77 9.425 3.847 -5.027 1.00 0.00 O ATOM 1115 CB GLU A 77 8.337 4.932 -7.410 1.00 0.00 C ATOM 1116 CG GLU A 77 7.832 5.300 -8.797 1.00 0.00 C ATOM 1117 CD GLU A 77 8.868 6.033 -9.607 1.00 0.00 C ATOM 1118 OE1 GLU A 77 9.755 5.400 -10.167 1.00 0.00 O ATOM 1119 OE2 GLU A 77 8.808 7.273 -9.674 1.00 0.00 O ATOM 0 H GLU A 77 8.032 2.503 -7.875 1.00 0.00 H new ATOM 0 HA GLU A 77 10.259 4.316 -8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.512 4.520 -6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.665 5.837 -6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.535 4.394 -9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.941 5.921 -8.704 1.00 0.00 H new ATOM 1126 N GLU A 78 11.402 3.493 -6.060 1.00 0.00 N ATOM 1127 CA GLU A 78 12.315 3.282 -4.921 1.00 0.00 C ATOM 1128 C GLU A 78 12.417 4.448 -3.911 1.00 0.00 C ATOM 1129 O GLU A 78 13.417 4.551 -3.194 1.00 0.00 O ATOM 1130 CB GLU A 78 13.720 3.027 -5.484 1.00 0.00 C ATOM 1131 CG GLU A 78 14.253 4.188 -6.318 1.00 0.00 C ATOM 1132 CD GLU A 78 15.656 3.977 -6.813 1.00 0.00 C ATOM 1133 OE1 GLU A 78 15.829 3.343 -7.861 1.00 0.00 O ATOM 1134 OE2 GLU A 78 16.620 4.467 -6.170 1.00 0.00 O ATOM 0 H GLU A 78 11.896 3.397 -6.947 1.00 0.00 H new ATOM 0 HA GLU A 78 11.899 2.443 -4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.406 2.836 -4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.701 2.126 -6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.594 4.343 -7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.220 5.099 -5.721 1.00 0.00 H new ATOM 1141 N ARG A 79 11.414 5.253 -3.788 1.00 0.00 N ATOM 1142 CA ARG A 79 11.539 6.419 -2.945 1.00 0.00 C ATOM 1143 C ARG A 79 10.180 6.933 -2.557 1.00 0.00 C ATOM 1144 O ARG A 79 10.059 7.857 -1.778 1.00 0.00 O ATOM 1145 CB ARG A 79 12.331 7.518 -3.685 1.00 0.00 C ATOM 1146 CG ARG A 79 12.719 8.712 -2.825 1.00 0.00 C ATOM 1147 CD ARG A 79 13.440 9.762 -3.631 1.00 0.00 C ATOM 1148 NE ARG A 79 13.864 10.888 -2.800 1.00 0.00 N ATOM 1149 CZ ARG A 79 14.292 12.061 -3.260 1.00 0.00 C ATOM 1150 NH1 ARG A 79 14.313 12.301 -4.571 1.00 0.00 N ATOM 1151 NH2 ARG A 79 14.702 12.994 -2.405 1.00 0.00 N ATOM 0 H ARG A 79 10.510 5.138 -4.247 1.00 0.00 H new ATOM 0 HA ARG A 79 12.076 6.141 -2.038 1.00 0.00 H new ATOM 0 HB2 ARG A 79 13.237 7.077 -4.100 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.735 7.872 -4.526 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.825 9.146 -2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.356 8.380 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 79 14.311 9.317 -4.112 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.787 10.122 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 79 13.829 10.765 -1.788 1.00 0.00 H new ATOM 0 HH11 ARG A 79 14.000 11.584 -5.226 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.642 13.201 -4.919 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.687 12.809 -1.402 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.031 13.895 -2.752 1.00 0.00 H new ATOM 1165 N HIS A 80 9.112 6.273 -3.037 1.00 0.00 N ATOM 1166 CA HIS A 80 7.719 6.765 -2.837 1.00 0.00 C ATOM 1167 C HIS A 80 6.987 5.948 -1.788 1.00 0.00 C ATOM 1168 O HIS A 80 7.024 4.734 -1.845 1.00 0.00 O ATOM 1169 CB HIS A 80 6.913 6.634 -4.115 1.00 0.00 C ATOM 1170 CG HIS A 80 7.213 7.571 -5.226 1.00 0.00 C ATOM 1171 ND1 HIS A 80 6.439 7.615 -6.358 1.00 0.00 N ATOM 1172 CD2 HIS A 80 8.184 8.498 -5.398 1.00 0.00 C ATOM 1173 CE1 HIS A 80 6.914 8.525 -7.177 1.00 0.00 C ATOM 1174 NE2 HIS A 80 7.972 9.077 -6.624 1.00 0.00 N ATOM 0 H HIS A 80 9.175 5.402 -3.564 1.00 0.00 H new ATOM 0 HA HIS A 80 7.806 7.806 -2.525 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.044 5.619 -4.490 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.860 6.746 -3.859 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.622 7.031 -6.536 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.975 8.737 -4.703 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.504 8.778 -8.144 1.00 0.00 H new ATOM 1183 N VAL A 81 6.258 6.607 -0.886 1.00 0.00 N ATOM 1184 CA VAL A 81 5.552 5.889 0.170 1.00 0.00 C ATOM 1185 C VAL A 81 4.037 5.650 -0.136 1.00 0.00 C ATOM 1186 O VAL A 81 3.105 6.289 0.438 1.00 0.00 O ATOM 1187 CB VAL A 81 5.773 6.515 1.594 1.00 0.00 C ATOM 1188 CG1 VAL A 81 5.143 7.908 1.739 1.00 0.00 C ATOM 1189 CG2 VAL A 81 5.306 5.571 2.696 1.00 0.00 C ATOM 0 H VAL A 81 6.143 7.620 -0.866 1.00 0.00 H new ATOM 0 HA VAL A 81 6.013 4.901 0.187 1.00 0.00 H new ATOM 0 HB VAL A 81 6.848 6.654 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.329 8.289 2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.584 8.585 1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.068 7.841 1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.473 6.035 3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.243 5.363 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.867 4.638 2.638 1.00 0.00 H new ATOM 1199 N GLY A 82 3.777 4.794 -1.069 1.00 0.00 N ATOM 1200 CA GLY A 82 2.409 4.422 -1.276 1.00 0.00 C ATOM 1201 C GLY A 82 1.872 4.807 -2.587 1.00 0.00 C ATOM 1202 O GLY A 82 1.273 5.856 -2.714 1.00 0.00 O ATOM 0 H GLY A 82 4.462 4.351 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.317 3.342 -1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.798 4.879 -0.497 1.00 0.00 H new ATOM 1206 N ASP A 83 2.076 3.966 -3.539 1.00 0.00 N ATOM 1207 CA ASP A 83 1.573 4.125 -4.877 1.00 0.00 C ATOM 1208 C ASP A 83 1.673 2.812 -5.594 1.00 0.00 C ATOM 1209 O ASP A 83 2.476 2.003 -5.237 1.00 0.00 O ATOM 1210 CB ASP A 83 2.200 5.339 -5.667 1.00 0.00 C ATOM 1211 CG ASP A 83 3.726 5.485 -5.618 1.00 0.00 C ATOM 1212 OD1 ASP A 83 4.315 5.301 -4.577 1.00 0.00 O ATOM 1213 OD2 ASP A 83 4.348 5.883 -6.648 1.00 0.00 O ATOM 0 H ASP A 83 2.618 3.111 -3.412 1.00 0.00 H new ATOM 0 HA ASP A 83 0.522 4.406 -4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.901 5.255 -6.712 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.759 6.258 -5.282 1.00 0.00 H new ATOM 1218 N LEU A 84 0.682 2.536 -6.353 1.00 0.00 N ATOM 1219 CA LEU A 84 0.549 1.363 -7.184 1.00 0.00 C ATOM 1220 C LEU A 84 -0.720 1.632 -7.927 1.00 0.00 C ATOM 1221 O LEU A 84 -1.255 2.749 -7.747 1.00 0.00 O ATOM 1222 CB LEU A 84 0.559 0.034 -6.359 1.00 0.00 C ATOM 1223 CG LEU A 84 0.709 -1.311 -7.116 1.00 0.00 C ATOM 1224 CD1 LEU A 84 1.509 -2.283 -6.271 1.00 0.00 C ATOM 1225 CD2 LEU A 84 -0.646 -1.940 -7.394 1.00 0.00 C ATOM 0 H LEU A 84 -0.124 3.157 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 84 1.388 1.203 -7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.373 0.099 -5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.370 -0.009 -5.790 1.00 0.00 H new ATOM 0 HG LEU A 84 1.213 -1.106 -8.060 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.614 -3.228 -6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.497 -1.866 -6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.993 -2.455 -5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.508 -2.881 -7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.160 -2.128 -6.451 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.243 -1.263 -8.005 1.00 0.00 H new ATOM 1237 N GLY A 85 -1.130 0.759 -8.848 1.00 0.00 N ATOM 1238 CA GLY A 85 -2.439 0.904 -9.503 1.00 0.00 C ATOM 1239 C GLY A 85 -3.516 1.354 -8.511 1.00 0.00 C ATOM 1240 O GLY A 85 -3.454 1.053 -7.310 1.00 0.00 O ATOM 0 H GLY A 85 -0.586 -0.047 -9.157 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.363 1.629 -10.313 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.730 -0.046 -9.951 1.00 0.00 H new ATOM 1244 N ASN A 86 -4.532 1.949 -9.018 1.00 0.00 N ATOM 1245 CA ASN A 86 -5.342 2.793 -8.225 1.00 0.00 C ATOM 1246 C ASN A 86 -6.397 2.032 -7.491 1.00 0.00 C ATOM 1247 O ASN A 86 -6.792 0.948 -7.910 1.00 0.00 O ATOM 1248 CB ASN A 86 -5.906 3.967 -9.071 1.00 0.00 C ATOM 1249 CG ASN A 86 -6.739 3.574 -10.317 1.00 0.00 C ATOM 1250 OD1 ASN A 86 -7.425 2.446 -10.299 1.00 0.00 O flip ATOM 1251 ND2 ASN A 86 -6.751 4.309 -11.302 1.00 0.00 N flip ATOM 0 H ASN A 86 -4.824 1.864 -9.992 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.716 3.235 -7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.528 4.587 -8.425 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.070 4.586 -9.399 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.215 5.177 -11.297 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.297 4.051 -12.124 1.00 0.00 H new ATOM 1258 N VAL A 87 -6.922 2.625 -6.467 1.00 0.00 N ATOM 1259 CA VAL A 87 -7.841 1.969 -5.638 1.00 0.00 C ATOM 1260 C VAL A 87 -9.187 2.594 -5.917 1.00 0.00 C ATOM 1261 O VAL A 87 -9.265 3.570 -6.619 1.00 0.00 O ATOM 1262 CB VAL A 87 -7.379 2.152 -4.147 1.00 0.00 C ATOM 1263 CG1 VAL A 87 -8.366 1.603 -3.130 1.00 0.00 C ATOM 1264 CG2 VAL A 87 -6.031 1.485 -3.942 1.00 0.00 C ATOM 0 H VAL A 87 -6.714 3.585 -6.193 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.904 0.897 -5.823 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.314 3.227 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.980 1.765 -2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.322 2.115 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.505 0.535 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.715 1.614 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.113 0.421 -4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.295 1.940 -4.606 1.00 0.00 H new ATOM 1274 N THR A 88 -10.197 1.949 -5.526 1.00 0.00 N ATOM 1275 CA THR A 88 -11.532 2.376 -5.696 1.00 0.00 C ATOM 1276 C THR A 88 -12.337 2.046 -4.437 1.00 0.00 C ATOM 1277 O THR A 88 -12.226 0.978 -3.873 1.00 0.00 O ATOM 1278 CB THR A 88 -12.158 1.744 -6.973 1.00 0.00 C ATOM 1279 OG1 THR A 88 -11.295 2.012 -8.094 1.00 0.00 O ATOM 1280 CG2 THR A 88 -13.538 2.329 -7.265 1.00 0.00 C ATOM 0 H THR A 88 -10.122 1.051 -5.047 1.00 0.00 H new ATOM 0 HA THR A 88 -11.552 3.456 -5.839 1.00 0.00 H new ATOM 0 HB THR A 88 -12.266 0.672 -6.809 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.679 1.617 -8.904 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.947 1.866 -8.163 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.201 2.134 -6.422 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.452 3.405 -7.418 1.00 0.00 H new ATOM 1288 N ALA A 89 -13.019 2.987 -3.967 1.00 0.00 N ATOM 1289 CA ALA A 89 -13.914 2.869 -2.893 1.00 0.00 C ATOM 1290 C ALA A 89 -15.214 3.407 -3.386 1.00 0.00 C ATOM 1291 O ALA A 89 -15.235 4.086 -4.406 1.00 0.00 O ATOM 1292 CB ALA A 89 -13.432 3.639 -1.709 1.00 0.00 C ATOM 0 H ALA A 89 -12.972 3.934 -4.342 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.010 1.833 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.144 3.531 -0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -12.460 3.257 -1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.340 4.693 -1.973 1.00 0.00 H new ATOM 1298 N ASP A 90 -16.242 2.998 -2.829 1.00 0.00 N ATOM 1299 CA ASP A 90 -17.526 3.476 -3.206 1.00 0.00 C ATOM 1300 C ASP A 90 -18.367 3.200 -2.039 1.00 0.00 C ATOM 1301 O ASP A 90 -17.874 2.620 -1.120 1.00 0.00 O ATOM 1302 CB ASP A 90 -18.050 2.743 -4.462 1.00 0.00 C ATOM 1303 CG ASP A 90 -19.280 3.399 -5.043 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -19.156 4.501 -5.626 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -20.381 2.830 -4.921 1.00 0.00 O ATOM 0 H ASP A 90 -16.250 2.307 -2.079 1.00 0.00 H new ATOM 0 HA ASP A 90 -17.516 4.533 -3.470 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -17.265 2.717 -5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -18.280 1.709 -4.206 1.00 0.00 H new ATOM 1310 N LYS A 91 -19.584 3.618 -2.047 1.00 0.00 N ATOM 1311 CA LYS A 91 -20.549 3.329 -0.956 1.00 0.00 C ATOM 1312 C LYS A 91 -20.551 1.862 -0.547 1.00 0.00 C ATOM 1313 O LYS A 91 -20.676 1.545 0.632 1.00 0.00 O ATOM 1314 CB LYS A 91 -21.963 3.811 -1.324 1.00 0.00 C ATOM 1315 CG LYS A 91 -22.523 3.230 -2.601 1.00 0.00 C ATOM 1316 CD LYS A 91 -23.869 3.831 -2.905 1.00 0.00 C ATOM 1317 CE LYS A 91 -24.433 3.294 -4.193 1.00 0.00 C ATOM 1318 NZ LYS A 91 -25.744 3.882 -4.485 1.00 0.00 N ATOM 0 H LYS A 91 -19.976 4.179 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 91 -20.215 3.892 -0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -22.639 3.567 -0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -21.949 4.897 -1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -21.837 3.422 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -22.614 2.148 -2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -24.558 3.617 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -23.779 4.915 -2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -23.745 3.508 -5.011 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -24.524 2.210 -4.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -26.108 3.493 -5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -26.405 3.656 -3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -25.650 4.914 -4.570 1.00 0.00 H new ATOM 1332 N ASP A 92 -20.369 1.002 -1.521 1.00 0.00 N ATOM 1333 CA ASP A 92 -20.267 -0.441 -1.293 1.00 0.00 C ATOM 1334 C ASP A 92 -18.840 -0.792 -1.073 1.00 0.00 C ATOM 1335 O ASP A 92 -18.502 -1.637 -0.245 1.00 0.00 O ATOM 1336 CB ASP A 92 -20.785 -1.253 -2.484 1.00 0.00 C ATOM 1337 CG ASP A 92 -22.278 -1.280 -2.592 1.00 0.00 C ATOM 1338 OD1 ASP A 92 -22.866 -0.350 -3.181 1.00 0.00 O ATOM 1339 OD2 ASP A 92 -22.904 -2.239 -2.082 1.00 0.00 O ATOM 0 H ASP A 92 -20.286 1.273 -2.501 1.00 0.00 H new ATOM 0 HA ASP A 92 -20.879 -0.683 -0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -20.371 -0.838 -3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -20.417 -2.276 -2.402 1.00 0.00 H new ATOM 1344 N GLY A 93 -17.999 -0.142 -1.823 1.00 0.00 N ATOM 1345 CA GLY A 93 -16.617 -0.366 -1.720 1.00 0.00 C ATOM 1346 C GLY A 93 -16.152 -1.450 -2.625 1.00 0.00 C ATOM 1347 O GLY A 93 -16.516 -2.613 -2.457 1.00 0.00 O ATOM 0 H GLY A 93 -18.268 0.555 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.083 0.555 -1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -16.369 -0.624 -0.690 1.00 0.00 H new ATOM 1351 N VAL A 94 -15.380 -1.094 -3.594 1.00 0.00 N ATOM 1352 CA VAL A 94 -14.795 -2.066 -4.443 1.00 0.00 C ATOM 1353 C VAL A 94 -13.563 -1.495 -5.105 1.00 0.00 C ATOM 1354 O VAL A 94 -13.635 -0.677 -6.003 1.00 0.00 O ATOM 1355 CB VAL A 94 -15.820 -2.653 -5.494 1.00 0.00 C ATOM 1356 CG1 VAL A 94 -16.482 -1.568 -6.350 1.00 0.00 C ATOM 1357 CG2 VAL A 94 -15.167 -3.720 -6.370 1.00 0.00 C ATOM 0 H VAL A 94 -15.140 -0.128 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.495 -2.913 -3.827 1.00 0.00 H new ATOM 0 HB VAL A 94 -16.616 -3.123 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -17.175 -2.031 -7.052 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.026 -0.878 -5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.717 -1.022 -6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -15.898 -4.104 -7.082 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -14.328 -3.283 -6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -14.808 -4.536 -5.743 1.00 0.00 H new ATOM 1367 N ALA A 95 -12.444 -1.889 -4.604 1.00 0.00 N ATOM 1368 CA ALA A 95 -11.203 -1.559 -5.197 1.00 0.00 C ATOM 1369 C ALA A 95 -10.802 -2.653 -6.090 1.00 0.00 C ATOM 1370 O ALA A 95 -10.835 -3.835 -5.708 1.00 0.00 O ATOM 1371 CB ALA A 95 -10.138 -1.369 -4.145 1.00 0.00 C ATOM 0 H ALA A 95 -12.368 -2.457 -3.760 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.314 -0.628 -5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -9.193 -1.116 -4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.431 -0.563 -3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.020 -2.291 -3.576 1.00 0.00 H new ATOM 1377 N ASP A 96 -10.479 -2.278 -7.277 1.00 0.00 N ATOM 1378 CA ASP A 96 -10.024 -3.208 -8.259 1.00 0.00 C ATOM 1379 C ASP A 96 -8.649 -3.717 -7.872 1.00 0.00 C ATOM 1380 O ASP A 96 -7.798 -2.957 -7.372 1.00 0.00 O ATOM 1381 CB ASP A 96 -10.012 -2.550 -9.646 1.00 0.00 C ATOM 1382 CG ASP A 96 -9.435 -3.429 -10.736 1.00 0.00 C ATOM 1383 OD1 ASP A 96 -9.834 -4.608 -10.860 1.00 0.00 O ATOM 1384 OD2 ASP A 96 -8.565 -2.955 -11.492 1.00 0.00 O ATOM 0 H ASP A 96 -10.522 -1.311 -7.600 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.704 -4.058 -8.305 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -11.032 -2.275 -9.916 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.436 -1.626 -9.594 1.00 0.00 H new ATOM 1389 N VAL A 97 -8.419 -4.968 -8.142 1.00 0.00 N ATOM 1390 CA VAL A 97 -7.203 -5.618 -7.799 1.00 0.00 C ATOM 1391 C VAL A 97 -6.159 -5.234 -8.841 1.00 0.00 C ATOM 1392 O VAL A 97 -6.165 -5.647 -10.008 1.00 0.00 O ATOM 1393 CB VAL A 97 -7.395 -7.190 -7.712 1.00 0.00 C ATOM 1394 CG1 VAL A 97 -8.405 -7.540 -6.641 1.00 0.00 C ATOM 1395 CG2 VAL A 97 -7.870 -7.797 -9.031 1.00 0.00 C ATOM 0 H VAL A 97 -9.090 -5.572 -8.617 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.872 -5.298 -6.811 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.416 -7.604 -7.472 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.525 -8.622 -6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.055 -7.172 -5.677 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.363 -7.078 -6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.985 -8.875 -8.915 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -8.828 -7.358 -9.310 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.136 -7.592 -9.811 1.00 0.00 H new ATOM 1405 N SER A 98 -5.329 -4.359 -8.419 1.00 0.00 N ATOM 1406 CA SER A 98 -4.365 -3.782 -9.256 1.00 0.00 C ATOM 1407 C SER A 98 -3.114 -4.623 -9.303 1.00 0.00 C ATOM 1408 O SER A 98 -2.373 -4.709 -8.330 1.00 0.00 O ATOM 1409 CB SER A 98 -4.075 -2.385 -8.754 1.00 0.00 C ATOM 1410 OG SER A 98 -5.281 -1.624 -8.686 1.00 0.00 O ATOM 0 H SER A 98 -5.305 -4.019 -7.458 1.00 0.00 H new ATOM 0 HA SER A 98 -4.744 -3.730 -10.277 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.612 -2.434 -7.769 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.363 -1.893 -9.417 1.00 0.00 H new ATOM 0 HG SER A 98 -5.155 -0.864 -8.080 1.00 0.00 H new ATOM 1416 N ILE A 99 -2.915 -5.277 -10.413 1.00 0.00 N ATOM 1417 CA ILE A 99 -1.724 -6.038 -10.622 1.00 0.00 C ATOM 1418 C ILE A 99 -0.730 -5.184 -11.385 1.00 0.00 C ATOM 1419 O ILE A 99 -1.058 -4.585 -12.417 1.00 0.00 O ATOM 1420 CB ILE A 99 -1.978 -7.405 -11.355 1.00 0.00 C ATOM 1421 CG1 ILE A 99 -2.644 -7.210 -12.731 1.00 0.00 C ATOM 1422 CG2 ILE A 99 -2.833 -8.319 -10.483 1.00 0.00 C ATOM 1423 CD1 ILE A 99 -2.829 -8.493 -13.523 1.00 0.00 C ATOM 0 H ILE A 99 -3.573 -5.295 -11.192 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.321 -6.306 -9.645 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.006 -7.869 -11.525 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.618 -6.742 -12.587 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.041 -6.518 -13.319 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.002 -9.263 -11.002 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.318 -8.510 -9.541 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -3.791 -7.839 -10.282 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.304 -8.266 -14.477 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.857 -8.954 -13.702 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.459 -9.181 -12.959 1.00 0.00 H new ATOM 1435 N GLU A 100 0.431 -5.045 -10.825 1.00 0.00 N ATOM 1436 CA GLU A 100 1.501 -4.260 -11.390 1.00 0.00 C ATOM 1437 C GLU A 100 2.800 -4.974 -11.081 1.00 0.00 C ATOM 1438 O GLU A 100 3.066 -5.268 -9.917 1.00 0.00 O ATOM 1439 CB GLU A 100 1.522 -2.847 -10.755 1.00 0.00 C ATOM 1440 CG GLU A 100 0.350 -1.921 -11.119 1.00 0.00 C ATOM 1441 CD GLU A 100 0.447 -1.345 -12.523 1.00 0.00 C ATOM 1442 OE1 GLU A 100 0.733 -2.095 -13.481 1.00 0.00 O ATOM 1443 OE2 GLU A 100 0.211 -0.122 -12.698 1.00 0.00 O ATOM 0 H GLU A 100 0.674 -5.484 -9.937 1.00 0.00 H new ATOM 0 HA GLU A 100 1.362 -4.149 -12.465 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.546 -2.959 -9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 100 2.450 -2.355 -11.045 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.584 -2.476 -11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.307 -1.102 -10.401 1.00 0.00 H new ATOM 1450 N ASP A 101 3.588 -5.241 -12.071 1.00 0.00 N ATOM 1451 CA ASP A 101 4.820 -5.944 -11.862 1.00 0.00 C ATOM 1452 C ASP A 101 5.934 -5.036 -11.368 1.00 0.00 C ATOM 1453 O ASP A 101 6.056 -3.828 -11.759 1.00 0.00 O ATOM 1454 CB ASP A 101 5.262 -6.779 -13.076 1.00 0.00 C ATOM 1455 CG ASP A 101 5.559 -6.005 -14.340 1.00 0.00 C ATOM 1456 OD1 ASP A 101 4.638 -5.834 -15.175 1.00 0.00 O ATOM 1457 OD2 ASP A 101 6.733 -5.624 -14.562 1.00 0.00 O ATOM 0 H ASP A 101 3.402 -4.983 -13.040 1.00 0.00 H new ATOM 0 HA ASP A 101 4.609 -6.657 -11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 101 6.154 -7.341 -12.800 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.481 -7.507 -13.295 1.00 0.00 H new ATOM 1462 N SER A 102 6.619 -5.561 -10.388 1.00 0.00 N ATOM 1463 CA SER A 102 7.737 -4.952 -9.775 1.00 0.00 C ATOM 1464 C SER A 102 9.008 -5.578 -10.257 1.00 0.00 C ATOM 1465 O SER A 102 9.004 -6.604 -10.962 1.00 0.00 O ATOM 1466 CB SER A 102 7.669 -5.168 -8.283 1.00 0.00 C ATOM 1467 OG SER A 102 7.746 -6.560 -7.995 1.00 0.00 O ATOM 0 H SER A 102 6.390 -6.470 -9.986 1.00 0.00 H new ATOM 0 HA SER A 102 7.723 -3.891 -10.024 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.486 -4.640 -7.792 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.740 -4.756 -7.888 1.00 0.00 H new ATOM 0 HG SER A 102 8.620 -6.765 -7.603 1.00 0.00 H new ATOM 1473 N VAL A 103 10.062 -4.985 -9.873 1.00 0.00 N ATOM 1474 CA VAL A 103 11.312 -5.596 -9.928 1.00 0.00 C ATOM 1475 C VAL A 103 11.813 -5.742 -8.478 1.00 0.00 C ATOM 1476 O VAL A 103 11.979 -6.856 -7.996 1.00 0.00 O ATOM 1477 CB VAL A 103 12.340 -4.862 -10.866 1.00 0.00 C ATOM 1478 CG1 VAL A 103 12.538 -3.404 -10.495 1.00 0.00 C ATOM 1479 CG2 VAL A 103 13.676 -5.593 -10.890 1.00 0.00 C ATOM 0 H VAL A 103 10.076 -4.035 -9.502 1.00 0.00 H new ATOM 0 HA VAL A 103 11.214 -6.577 -10.393 1.00 0.00 H new ATOM 0 HB VAL A 103 11.910 -4.879 -11.867 1.00 0.00 H new ATOM 0 HG11 VAL A 103 13.257 -2.950 -11.176 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.586 -2.877 -10.568 1.00 0.00 H new ATOM 0 HG13 VAL A 103 12.913 -3.336 -9.474 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.368 -5.065 -11.546 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.088 -5.630 -9.882 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.529 -6.608 -11.260 1.00 0.00 H new ATOM 1489 N ILE A 104 11.821 -4.623 -7.732 1.00 0.00 N ATOM 1490 CA ILE A 104 12.453 -4.557 -6.406 1.00 0.00 C ATOM 1491 C ILE A 104 11.483 -4.702 -5.220 1.00 0.00 C ATOM 1492 O ILE A 104 11.773 -4.264 -4.087 1.00 0.00 O ATOM 1493 CB ILE A 104 13.361 -3.306 -6.248 1.00 0.00 C ATOM 1494 CG1 ILE A 104 12.611 -2.017 -6.632 1.00 0.00 C ATOM 1495 CG2 ILE A 104 14.644 -3.473 -7.062 1.00 0.00 C ATOM 1496 CD1 ILE A 104 13.451 -0.754 -6.560 1.00 0.00 C ATOM 0 H ILE A 104 11.393 -3.747 -8.030 1.00 0.00 H new ATOM 0 HA ILE A 104 13.086 -5.443 -6.367 1.00 0.00 H new ATOM 0 HB ILE A 104 13.637 -3.214 -5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 104 12.226 -2.124 -7.646 1.00 0.00 H new ATOM 0 HG13 ILE A 104 11.750 -1.903 -5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 104 15.269 -2.589 -6.941 1.00 0.00 H new ATOM 0 HG22 ILE A 104 15.186 -4.351 -6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 104 14.393 -3.598 -8.115 1.00 0.00 H new ATOM 0 HD11 ILE A 104 12.843 0.104 -6.847 1.00 0.00 H new ATOM 0 HD12 ILE A 104 13.815 -0.617 -5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 104 14.299 -0.841 -7.240 1.00 0.00 H new ATOM 1508 N SER A 105 10.346 -5.326 -5.453 1.00 0.00 N ATOM 1509 CA SER A 105 9.491 -5.700 -4.369 1.00 0.00 C ATOM 1510 C SER A 105 10.015 -6.963 -3.757 1.00 0.00 C ATOM 1511 O SER A 105 9.726 -8.084 -4.178 1.00 0.00 O ATOM 1512 CB SER A 105 8.027 -5.852 -4.795 1.00 0.00 C ATOM 1513 OG SER A 105 7.203 -6.230 -3.685 1.00 0.00 O ATOM 0 H SER A 105 10.003 -5.579 -6.380 1.00 0.00 H new ATOM 0 HA SER A 105 9.500 -4.898 -3.630 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.668 -4.912 -5.215 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.950 -6.603 -5.581 1.00 0.00 H new ATOM 0 HG SER A 105 7.159 -7.207 -3.628 1.00 0.00 H new ATOM 1519 N LEU A 106 10.804 -6.743 -2.870 1.00 0.00 N ATOM 1520 CA LEU A 106 11.383 -7.639 -2.049 1.00 0.00 C ATOM 1521 C LEU A 106 11.035 -7.036 -0.758 1.00 0.00 C ATOM 1522 O LEU A 106 10.480 -5.941 -0.756 1.00 0.00 O ATOM 1523 CB LEU A 106 12.920 -7.763 -2.322 1.00 0.00 C ATOM 1524 CG LEU A 106 13.780 -6.465 -2.405 1.00 0.00 C ATOM 1525 CD1 LEU A 106 14.021 -5.819 -1.045 1.00 0.00 C ATOM 1526 CD2 LEU A 106 15.100 -6.749 -3.102 1.00 0.00 C ATOM 0 H LEU A 106 11.110 -5.792 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 106 11.057 -8.674 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.344 -8.389 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.045 -8.301 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 106 13.207 -5.747 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.625 -4.921 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.065 -5.553 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.545 -6.521 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 106 15.689 -5.833 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 106 15.651 -7.505 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.908 -7.113 -4.111 1.00 0.00 H new ATOM 1538 N SER A 107 11.236 -7.652 0.268 1.00 0.00 N ATOM 1539 CA SER A 107 10.869 -7.049 1.518 1.00 0.00 C ATOM 1540 C SER A 107 11.830 -5.940 1.919 1.00 0.00 C ATOM 1541 O SER A 107 12.888 -6.184 2.489 1.00 0.00 O ATOM 1542 CB SER A 107 10.732 -8.088 2.592 1.00 0.00 C ATOM 1543 OG SER A 107 9.785 -9.057 2.197 1.00 0.00 O ATOM 0 H SER A 107 11.652 -8.582 0.328 1.00 0.00 H new ATOM 0 HA SER A 107 9.894 -6.580 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.696 -8.562 2.778 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.421 -7.621 3.526 1.00 0.00 H new ATOM 0 HG SER A 107 10.249 -9.836 1.826 1.00 0.00 H new ATOM 1549 N GLY A 108 11.477 -4.729 1.547 1.00 0.00 N ATOM 1550 CA GLY A 108 12.229 -3.599 1.939 1.00 0.00 C ATOM 1551 C GLY A 108 11.590 -3.079 3.139 1.00 0.00 C ATOM 1552 O GLY A 108 10.366 -2.991 3.183 1.00 0.00 O ATOM 0 H GLY A 108 10.663 -4.520 0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 108 13.266 -3.872 2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.243 -2.848 1.149 1.00 0.00 H new ATOM 1556 N ASP A 109 12.378 -2.752 4.099 1.00 0.00 N ATOM 1557 CA ASP A 109 11.934 -2.385 5.433 1.00 0.00 C ATOM 1558 C ASP A 109 11.030 -3.523 5.972 1.00 0.00 C ATOM 1559 O ASP A 109 11.173 -4.692 5.577 1.00 0.00 O ATOM 1560 CB ASP A 109 11.222 -1.016 5.443 1.00 0.00 C ATOM 1561 CG ASP A 109 11.224 -0.361 6.811 1.00 0.00 C ATOM 1562 OD1 ASP A 109 10.438 -0.787 7.665 1.00 0.00 O ATOM 1563 OD2 ASP A 109 12.040 0.558 7.045 1.00 0.00 O ATOM 0 H ASP A 109 13.392 -2.726 3.993 1.00 0.00 H new ATOM 0 HA ASP A 109 12.796 -2.269 6.090 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.709 -0.353 4.728 1.00 0.00 H new ATOM 0 HB3 ASP A 109 10.193 -1.145 5.109 1.00 0.00 H new ATOM 1568 N HIS A 110 10.158 -3.200 6.846 1.00 0.00 N ATOM 1569 CA HIS A 110 9.235 -4.123 7.472 1.00 0.00 C ATOM 1570 C HIS A 110 7.939 -4.199 6.651 1.00 0.00 C ATOM 1571 O HIS A 110 6.859 -4.328 7.195 1.00 0.00 O ATOM 1572 CB HIS A 110 8.929 -3.644 8.908 1.00 0.00 C ATOM 1573 CG HIS A 110 10.129 -3.599 9.819 1.00 0.00 C ATOM 1574 ND1 HIS A 110 11.134 -2.696 9.911 1.00 0.00 N flip ATOM 1575 CD2 HIS A 110 10.391 -4.544 10.786 1.00 0.00 C flip ATOM 1576 CE1 HIS A 110 11.960 -3.106 10.907 1.00 0.00 C flip ATOM 1577 NE2 HIS A 110 11.499 -4.216 11.422 1.00 0.00 N flip ATOM 0 H HIS A 110 10.045 -2.241 7.176 1.00 0.00 H new ATOM 0 HA HIS A 110 9.682 -5.116 7.513 1.00 0.00 H new ATOM 0 HB2 HIS A 110 8.488 -2.649 8.859 1.00 0.00 H new ATOM 0 HB3 HIS A 110 8.180 -4.304 9.346 1.00 0.00 H new ATOM 0 HD1 HIS A 110 11.249 -1.861 9.337 1.00 0.00 H new ATOM 0 HD2 HIS A 110 9.786 -5.415 10.991 1.00 0.00 H new ATOM 0 HE1 HIS A 110 12.857 -2.596 11.224 1.00 0.00 H new ATOM 1586 N SER A 111 8.080 -4.140 5.336 1.00 0.00 N ATOM 1587 CA SER A 111 6.961 -4.180 4.405 1.00 0.00 C ATOM 1588 C SER A 111 6.097 -5.442 4.493 1.00 0.00 C ATOM 1589 O SER A 111 4.922 -5.420 4.124 1.00 0.00 O ATOM 1590 CB SER A 111 7.442 -3.977 2.994 1.00 0.00 C ATOM 1591 OG SER A 111 8.542 -4.835 2.695 1.00 0.00 O ATOM 0 H SER A 111 8.988 -4.062 4.878 1.00 0.00 H new ATOM 0 HA SER A 111 6.310 -3.359 4.704 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.626 -4.171 2.298 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.740 -2.938 2.855 1.00 0.00 H new ATOM 0 HG SER A 111 9.372 -4.428 3.019 1.00 0.00 H new ATOM 1597 N ILE A 112 6.647 -6.536 4.916 1.00 0.00 N ATOM 1598 CA ILE A 112 5.819 -7.691 5.075 1.00 0.00 C ATOM 1599 C ILE A 112 5.531 -7.940 6.530 1.00 0.00 C ATOM 1600 O ILE A 112 4.491 -8.443 6.869 1.00 0.00 O ATOM 1601 CB ILE A 112 6.352 -8.979 4.396 1.00 0.00 C ATOM 1602 CG1 ILE A 112 7.726 -9.378 4.941 1.00 0.00 C ATOM 1603 CG2 ILE A 112 6.384 -8.809 2.878 1.00 0.00 C ATOM 1604 CD1 ILE A 112 8.199 -10.736 4.485 1.00 0.00 C ATOM 0 H ILE A 112 7.632 -6.655 5.151 1.00 0.00 H new ATOM 0 HA ILE A 112 4.896 -7.453 4.547 1.00 0.00 H new ATOM 0 HB ILE A 112 5.666 -9.792 4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.457 -8.629 4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.691 -9.364 6.030 1.00 0.00 H new ATOM 0 HG21 ILE A 112 6.761 -9.722 2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 112 5.377 -8.607 2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.037 -7.976 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.179 -10.943 4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.491 -11.497 4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.269 -10.751 3.397 1.00 0.00 H new ATOM 1616 N ILE A 113 6.459 -7.624 7.383 1.00 0.00 N ATOM 1617 CA ILE A 113 6.248 -7.835 8.793 1.00 0.00 C ATOM 1618 C ILE A 113 5.945 -6.534 9.547 1.00 0.00 C ATOM 1619 O ILE A 113 6.837 -5.737 9.832 1.00 0.00 O ATOM 1620 CB ILE A 113 7.377 -8.686 9.467 1.00 0.00 C ATOM 1621 CG1 ILE A 113 7.106 -8.873 10.976 1.00 0.00 C ATOM 1622 CG2 ILE A 113 8.764 -8.096 9.208 1.00 0.00 C ATOM 1623 CD1 ILE A 113 8.082 -9.800 11.678 1.00 0.00 C ATOM 0 H ILE A 113 7.363 -7.222 7.136 1.00 0.00 H new ATOM 0 HA ILE A 113 5.346 -8.443 8.869 1.00 0.00 H new ATOM 0 HB ILE A 113 7.364 -9.674 9.006 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.136 -7.898 11.462 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.096 -9.262 11.106 1.00 0.00 H new ATOM 0 HG21 ILE A 113 9.519 -8.715 9.692 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.952 -8.067 8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.811 -7.085 9.612 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.819 -9.874 12.733 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.036 -10.789 11.222 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.093 -9.403 11.584 1.00 0.00 H new ATOM 1635 N GLY A 114 4.680 -6.301 9.810 1.00 0.00 N ATOM 1636 CA GLY A 114 4.298 -5.162 10.604 1.00 0.00 C ATOM 1637 C GLY A 114 4.051 -3.929 9.778 1.00 0.00 C ATOM 1638 O GLY A 114 4.042 -2.811 10.298 1.00 0.00 O ATOM 0 H GLY A 114 3.905 -6.881 9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.396 -5.403 11.166 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.082 -4.954 11.333 1.00 0.00 H new ATOM 1642 N ARG A 115 3.852 -4.105 8.498 1.00 0.00 N ATOM 1643 CA ARG A 115 3.580 -2.986 7.638 1.00 0.00 C ATOM 1644 C ARG A 115 2.185 -2.461 7.851 1.00 0.00 C ATOM 1645 O ARG A 115 1.232 -3.051 7.394 1.00 0.00 O ATOM 1646 CB ARG A 115 3.815 -3.318 6.156 1.00 0.00 C ATOM 1647 CG ARG A 115 3.270 -2.251 5.221 1.00 0.00 C ATOM 1648 CD ARG A 115 3.841 -2.291 3.811 1.00 0.00 C ATOM 1649 NE ARG A 115 3.362 -3.367 2.996 1.00 0.00 N ATOM 1650 CZ ARG A 115 3.464 -3.367 1.681 1.00 0.00 C ATOM 1651 NH1 ARG A 115 4.317 -2.522 1.068 1.00 0.00 N ATOM 1652 NH2 ARG A 115 2.800 -4.262 0.979 1.00 0.00 N ATOM 0 H ARG A 115 3.873 -5.011 8.030 1.00 0.00 H new ATOM 0 HA ARG A 115 4.288 -2.203 7.910 1.00 0.00 H new ATOM 0 HB2 ARG A 115 4.884 -3.437 5.980 1.00 0.00 H new ATOM 0 HB3 ARG A 115 3.345 -4.273 5.923 1.00 0.00 H new ATOM 0 HG2 ARG A 115 2.187 -2.357 5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 115 3.472 -1.271 5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 115 3.611 -1.348 3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 115 4.927 -2.360 3.876 1.00 0.00 H new ATOM 0 HE ARG A 115 2.923 -4.167 3.452 1.00 0.00 H new ATOM 0 HH11 ARG A 115 4.885 -1.881 1.621 1.00 0.00 H new ATOM 0 HH12 ARG A 115 4.394 -2.524 0.051 1.00 0.00 H new ATOM 0 HH21 ARG A 115 2.212 -4.948 1.453 1.00 0.00 H new ATOM 0 HH22 ARG A 115 2.873 -4.269 -0.038 1.00 0.00 H new ATOM 1666 N THR A 116 2.060 -1.381 8.569 1.00 0.00 N ATOM 1667 CA THR A 116 0.783 -0.796 8.756 1.00 0.00 C ATOM 1668 C THR A 116 0.344 -0.173 7.432 1.00 0.00 C ATOM 1669 O THR A 116 0.909 0.770 7.000 1.00 0.00 O ATOM 1670 CB THR A 116 0.851 0.270 9.819 1.00 0.00 C ATOM 1671 OG1 THR A 116 1.663 -0.192 10.910 1.00 0.00 O ATOM 1672 CG2 THR A 116 -0.522 0.508 10.318 1.00 0.00 C ATOM 0 H THR A 116 2.831 -0.896 9.029 1.00 0.00 H new ATOM 0 HA THR A 116 0.070 -1.556 9.074 1.00 0.00 H new ATOM 0 HB THR A 116 1.280 1.184 9.407 1.00 0.00 H new ATOM 0 HG1 THR A 116 1.347 0.210 11.746 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.500 1.277 11.090 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.156 0.838 9.495 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.922 -0.415 10.737 1.00 0.00 H new ATOM 1680 N LEU A 117 -0.627 -0.726 6.819 1.00 0.00 N ATOM 1681 CA LEU A 117 -1.034 -0.337 5.485 1.00 0.00 C ATOM 1682 C LEU A 117 -1.686 1.063 5.482 1.00 0.00 C ATOM 1683 O LEU A 117 -2.622 1.281 6.202 1.00 0.00 O ATOM 1684 CB LEU A 117 -2.035 -1.379 5.013 1.00 0.00 C ATOM 1685 CG LEU A 117 -2.222 -1.547 3.528 1.00 0.00 C ATOM 1686 CD1 LEU A 117 -0.918 -2.013 2.883 1.00 0.00 C ATOM 1687 CD2 LEU A 117 -3.347 -2.534 3.234 1.00 0.00 C ATOM 0 H LEU A 117 -1.187 -1.479 7.219 1.00 0.00 H new ATOM 0 HA LEU A 117 -0.168 -0.285 4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.735 -2.343 5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -3.004 -1.134 5.448 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.498 -0.582 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.065 -2.131 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.138 -1.273 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.619 -2.968 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -3.465 -2.640 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.104 -3.503 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.277 -2.165 3.666 1.00 0.00 H new ATOM 1699 N VAL A 118 -1.152 2.010 4.668 1.00 0.00 N ATOM 1700 CA VAL A 118 -1.763 3.370 4.586 1.00 0.00 C ATOM 1701 C VAL A 118 -2.806 3.496 3.472 1.00 0.00 C ATOM 1702 O VAL A 118 -2.467 3.653 2.297 1.00 0.00 O ATOM 1703 CB VAL A 118 -0.714 4.529 4.411 1.00 0.00 C ATOM 1704 CG1 VAL A 118 0.051 4.759 5.669 1.00 0.00 C ATOM 1705 CG2 VAL A 118 0.256 4.269 3.249 1.00 0.00 C ATOM 0 H VAL A 118 -0.331 1.870 4.079 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.251 3.483 5.554 1.00 0.00 H new ATOM 0 HB VAL A 118 -1.285 5.427 4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 118 0.768 5.566 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.637 5.032 6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.583 3.848 5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 118 0.960 5.098 3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.803 3.344 3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.306 4.180 2.319 1.00 0.00 H new ATOM 1715 N VAL A 119 -4.047 3.434 3.828 1.00 0.00 N ATOM 1716 CA VAL A 119 -5.107 3.606 2.873 1.00 0.00 C ATOM 1717 C VAL A 119 -6.242 4.431 3.505 1.00 0.00 C ATOM 1718 O VAL A 119 -6.193 4.758 4.680 1.00 0.00 O ATOM 1719 CB VAL A 119 -5.622 2.215 2.347 1.00 0.00 C ATOM 1720 CG1 VAL A 119 -6.326 1.414 3.423 1.00 0.00 C ATOM 1721 CG2 VAL A 119 -6.476 2.340 1.082 1.00 0.00 C ATOM 0 H VAL A 119 -4.360 3.264 4.784 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.726 4.151 2.009 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.730 1.655 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.662 0.464 3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -5.637 1.227 4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -7.186 1.974 3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -6.803 1.350 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -7.347 2.961 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -5.886 2.799 0.289 1.00 0.00 H new ATOM 1731 N HIS A 120 -7.159 4.855 2.680 1.00 0.00 N ATOM 1732 CA HIS A 120 -8.380 5.536 3.041 1.00 0.00 C ATOM 1733 C HIS A 120 -9.153 5.597 1.772 1.00 0.00 C ATOM 1734 O HIS A 120 -8.539 5.371 0.717 1.00 0.00 O ATOM 1735 CB HIS A 120 -8.144 6.959 3.658 1.00 0.00 C ATOM 1736 CG HIS A 120 -7.379 7.987 2.829 1.00 0.00 C ATOM 1737 ND1 HIS A 120 -7.334 9.319 3.171 1.00 0.00 N ATOM 1738 CD2 HIS A 120 -6.572 7.866 1.747 1.00 0.00 C ATOM 1739 CE1 HIS A 120 -6.538 9.968 2.353 1.00 0.00 C ATOM 1740 NE2 HIS A 120 -6.059 9.119 1.478 1.00 0.00 N ATOM 0 H HIS A 120 -7.071 4.728 1.672 1.00 0.00 H new ATOM 0 HA HIS A 120 -8.910 5.005 3.832 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.119 7.384 3.898 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -7.612 6.829 4.601 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.368 6.959 1.198 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.316 11.024 2.395 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -5.413 9.346 0.722 1.00 0.00 H new ATOM 1749 N GLU A 121 -10.393 5.864 1.794 1.00 0.00 N ATOM 1750 CA GLU A 121 -11.070 5.945 0.553 1.00 0.00 C ATOM 1751 C GLU A 121 -10.903 7.382 0.062 1.00 0.00 C ATOM 1752 O GLU A 121 -11.746 8.221 0.325 1.00 0.00 O ATOM 1753 CB GLU A 121 -12.557 5.642 0.773 1.00 0.00 C ATOM 1754 CG GLU A 121 -12.877 4.570 1.826 1.00 0.00 C ATOM 1755 CD GLU A 121 -13.075 5.168 3.214 1.00 0.00 C ATOM 1756 OE1 GLU A 121 -12.156 5.854 3.729 1.00 0.00 O ATOM 1757 OE2 GLU A 121 -14.174 5.000 3.791 1.00 0.00 O ATOM 0 H GLU A 121 -10.957 6.028 2.628 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.673 5.234 -0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -13.057 6.567 1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -12.988 5.329 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -13.778 4.032 1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.067 3.841 1.858 1.00 0.00 H new ATOM 1764 N LYS A 122 -9.774 7.644 -0.591 1.00 0.00 N ATOM 1765 CA LYS A 122 -9.358 8.976 -1.066 1.00 0.00 C ATOM 1766 C LYS A 122 -8.101 8.786 -1.815 1.00 0.00 C ATOM 1767 O LYS A 122 -7.528 7.707 -1.743 1.00 0.00 O ATOM 1768 CB LYS A 122 -9.070 10.014 0.073 1.00 0.00 C ATOM 1769 CG LYS A 122 -10.258 10.701 0.766 1.00 0.00 C ATOM 1770 CD LYS A 122 -10.898 11.848 -0.047 1.00 0.00 C ATOM 1771 CE LYS A 122 -11.451 11.400 -1.386 1.00 0.00 C ATOM 1772 NZ LYS A 122 -12.222 12.454 -2.051 1.00 0.00 N ATOM 0 H LYS A 122 -9.096 6.916 -0.815 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.180 9.380 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -8.487 9.507 0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -8.435 10.795 -0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -11.022 9.952 0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.924 11.095 1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -11.702 12.294 0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -10.153 12.627 -0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -10.628 11.093 -2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -12.086 10.526 -1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -13.220 12.169 -2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -12.146 13.336 -1.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -11.848 12.606 -3.009 1.00 0.00 H new ATOM 1786 N ALA A 123 -7.635 9.809 -2.473 1.00 0.00 N ATOM 1787 CA ALA A 123 -6.320 9.767 -3.046 1.00 0.00 C ATOM 1788 C ALA A 123 -5.298 9.607 -1.921 1.00 0.00 C ATOM 1789 O ALA A 123 -5.333 10.343 -0.937 1.00 0.00 O ATOM 1790 CB ALA A 123 -6.031 11.022 -3.840 1.00 0.00 C ATOM 0 H ALA A 123 -8.144 10.680 -2.626 1.00 0.00 H new ATOM 0 HA ALA A 123 -6.257 8.921 -3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -5.028 10.962 -4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -6.759 11.119 -4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -6.098 11.891 -3.185 1.00 0.00 H new ATOM 1796 N ASP A 124 -4.515 8.564 -2.002 1.00 0.00 N ATOM 1797 CA ASP A 124 -3.408 8.326 -1.035 1.00 0.00 C ATOM 1798 C ASP A 124 -2.086 8.057 -1.739 1.00 0.00 C ATOM 1799 O ASP A 124 -0.992 8.099 -1.106 1.00 0.00 O ATOM 1800 CB ASP A 124 -3.716 7.166 -0.028 1.00 0.00 C ATOM 1801 CG ASP A 124 -2.504 6.811 0.826 1.00 0.00 C ATOM 1802 OD1 ASP A 124 -2.120 7.464 1.790 1.00 0.00 O ATOM 1803 OD2 ASP A 124 -1.684 5.960 0.541 1.00 0.00 O ATOM 0 H ASP A 124 -4.602 7.846 -2.722 1.00 0.00 H new ATOM 0 HA ASP A 124 -3.321 9.250 -0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.542 7.459 0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.041 6.284 -0.580 1.00 0.00 H new ATOM 1808 N ASP A 125 -2.167 7.817 -3.022 1.00 0.00 N ATOM 1809 CA ASP A 125 -1.029 7.442 -3.799 1.00 0.00 C ATOM 1810 C ASP A 125 -0.081 8.581 -4.002 1.00 0.00 C ATOM 1811 O ASP A 125 -0.484 9.723 -4.190 1.00 0.00 O ATOM 1812 CB ASP A 125 -1.390 6.701 -5.119 1.00 0.00 C ATOM 1813 CG ASP A 125 -2.687 7.148 -5.792 1.00 0.00 C ATOM 1814 OD1 ASP A 125 -2.914 8.337 -5.998 1.00 0.00 O ATOM 1815 OD2 ASP A 125 -3.514 6.279 -6.121 1.00 0.00 O ATOM 0 H ASP A 125 -3.034 7.879 -3.555 1.00 0.00 H new ATOM 0 HA ASP A 125 -0.495 6.701 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -0.570 6.834 -5.825 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -1.460 5.634 -4.908 1.00 0.00 H new ATOM 1820 N LEU A 126 1.178 8.264 -3.866 1.00 0.00 N ATOM 1821 CA LEU A 126 2.238 9.208 -3.983 1.00 0.00 C ATOM 1822 C LEU A 126 2.497 9.455 -5.459 1.00 0.00 C ATOM 1823 O LEU A 126 2.148 10.494 -5.970 1.00 0.00 O ATOM 1824 CB LEU A 126 3.500 8.667 -3.248 1.00 0.00 C ATOM 1825 CG LEU A 126 4.606 9.677 -2.822 1.00 0.00 C ATOM 1826 CD1 LEU A 126 5.244 10.389 -4.001 1.00 0.00 C ATOM 1827 CD2 LEU A 126 4.063 10.684 -1.815 1.00 0.00 C ATOM 0 H LEU A 126 1.495 7.316 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 126 1.973 10.156 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.163 8.148 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.964 7.921 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 126 5.393 9.091 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.006 11.079 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.703 9.656 -4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.481 10.944 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 126 4.854 11.379 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.237 11.237 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.709 10.157 -0.929 1.00 0.00 H new ATOM 1839 N GLY A 127 3.010 8.460 -6.174 1.00 0.00 N ATOM 1840 CA GLY A 127 3.343 8.668 -7.578 1.00 0.00 C ATOM 1841 C GLY A 127 2.143 8.738 -8.522 1.00 0.00 C ATOM 1842 O GLY A 127 2.315 8.720 -9.743 1.00 0.00 O ATOM 0 H GLY A 127 3.201 7.524 -5.816 1.00 0.00 H new ATOM 0 HA2 GLY A 127 3.912 9.594 -7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 127 3.997 7.859 -7.905 1.00 0.00 H new ATOM 1846 N LYS A 128 0.956 8.806 -7.974 1.00 0.00 N ATOM 1847 CA LYS A 128 -0.245 8.871 -8.766 1.00 0.00 C ATOM 1848 C LYS A 128 -1.188 9.924 -8.128 1.00 0.00 C ATOM 1849 O LYS A 128 -2.356 10.034 -8.500 1.00 0.00 O ATOM 1850 CB LYS A 128 -0.908 7.481 -8.722 1.00 0.00 C ATOM 1851 CG LYS A 128 -1.792 7.118 -9.903 1.00 0.00 C ATOM 1852 CD LYS A 128 -0.962 6.705 -11.105 1.00 0.00 C ATOM 1853 CE LYS A 128 -1.850 6.231 -12.241 1.00 0.00 C ATOM 1854 NZ LYS A 128 -1.068 5.667 -13.365 1.00 0.00 N ATOM 0 H LYS A 128 0.796 8.818 -6.967 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.032 9.151 -9.798 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.122 6.730 -8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -1.507 7.417 -7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -2.461 6.304 -9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -2.419 7.970 -10.166 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -0.356 7.547 -11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.274 5.909 -10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -2.542 5.476 -11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -2.452 7.065 -12.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -1.716 5.357 -14.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -0.425 6.394 -13.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -0.513 4.854 -13.029 1.00 0.00 H new ATOM 1868 N GLY A 129 -0.628 10.747 -7.243 1.00 0.00 N ATOM 1869 CA GLY A 129 -1.421 11.603 -6.344 1.00 0.00 C ATOM 1870 C GLY A 129 -2.062 12.873 -6.912 1.00 0.00 C ATOM 1871 O GLY A 129 -2.032 13.925 -6.262 1.00 0.00 O ATOM 0 H GLY A 129 0.380 10.844 -7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -2.218 10.991 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.776 11.900 -5.517 1.00 0.00 H new ATOM 1875 N GLY A 130 -2.635 12.787 -8.076 1.00 0.00 N ATOM 1876 CA GLY A 130 -3.426 13.885 -8.601 1.00 0.00 C ATOM 1877 C GLY A 130 -2.666 15.092 -9.102 1.00 0.00 C ATOM 1878 O GLY A 130 -2.269 15.142 -10.263 1.00 0.00 O ATOM 0 H GLY A 130 -2.576 11.973 -8.687 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -4.036 13.503 -9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -4.111 14.215 -7.820 1.00 0.00 H new ATOM 1882 N ASN A 131 -2.443 16.051 -8.237 1.00 0.00 N ATOM 1883 CA ASN A 131 -1.918 17.361 -8.681 1.00 0.00 C ATOM 1884 C ASN A 131 -0.430 17.450 -8.423 1.00 0.00 C ATOM 1885 O ASN A 131 0.053 16.745 -7.563 1.00 0.00 O ATOM 1886 CB ASN A 131 -2.674 18.491 -7.955 1.00 0.00 C ATOM 1887 CG ASN A 131 -2.253 19.890 -8.377 1.00 0.00 C ATOM 1888 OD1 ASN A 131 -1.831 20.119 -9.504 1.00 0.00 O ATOM 1889 ND2 ASN A 131 -2.364 20.829 -7.486 1.00 0.00 N ATOM 0 H ASN A 131 -2.607 15.972 -7.233 1.00 0.00 H new ATOM 0 HA ASN A 131 -2.076 17.468 -9.754 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -3.742 18.374 -8.137 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -2.520 18.385 -6.881 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -2.097 21.786 -7.717 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -2.719 20.609 -6.555 1.00 0.00 H new ATOM 1896 N GLU A 132 0.290 18.352 -9.148 1.00 0.00 N ATOM 1897 CA GLU A 132 1.755 18.494 -9.008 1.00 0.00 C ATOM 1898 C GLU A 132 2.228 18.572 -7.537 1.00 0.00 C ATOM 1899 O GLU A 132 3.206 17.945 -7.163 1.00 0.00 O ATOM 1900 CB GLU A 132 2.265 19.696 -9.796 1.00 0.00 C ATOM 1901 CG GLU A 132 1.546 20.995 -9.487 1.00 0.00 C ATOM 1902 CD GLU A 132 2.190 22.160 -10.155 1.00 0.00 C ATOM 1903 OE1 GLU A 132 1.937 22.396 -11.356 1.00 0.00 O ATOM 1904 OE2 GLU A 132 2.991 22.856 -9.504 1.00 0.00 O ATOM 0 H GLU A 132 -0.125 18.986 -9.831 1.00 0.00 H new ATOM 0 HA GLU A 132 2.185 17.583 -9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 132 3.328 19.825 -9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 132 2.168 19.485 -10.861 1.00 0.00 H new ATOM 0 HG2 GLU A 132 0.507 20.920 -9.809 1.00 0.00 H new ATOM 0 HG3 GLU A 132 1.534 21.156 -8.409 1.00 0.00 H new ATOM 1911 N GLU A 133 1.516 19.319 -6.720 1.00 0.00 N ATOM 1912 CA GLU A 133 1.863 19.438 -5.315 1.00 0.00 C ATOM 1913 C GLU A 133 1.368 18.220 -4.522 1.00 0.00 C ATOM 1914 O GLU A 133 2.116 17.620 -3.756 1.00 0.00 O ATOM 1915 CB GLU A 133 1.290 20.751 -4.733 1.00 0.00 C ATOM 1916 CG GLU A 133 -0.227 20.884 -4.860 1.00 0.00 C ATOM 1917 CD GLU A 133 -0.766 22.165 -4.294 1.00 0.00 C ATOM 1918 OE1 GLU A 133 -0.879 22.286 -3.063 1.00 0.00 O ATOM 1919 OE2 GLU A 133 -1.110 23.070 -5.076 1.00 0.00 O ATOM 0 H GLU A 133 0.694 19.853 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 133 2.949 19.468 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 133 1.562 20.817 -3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 133 1.761 21.595 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -0.503 20.817 -5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -0.701 20.044 -4.352 1.00 0.00 H new ATOM 1926 N SER A 134 0.139 17.808 -4.804 1.00 0.00 N ATOM 1927 CA SER A 134 -0.545 16.763 -4.059 1.00 0.00 C ATOM 1928 C SER A 134 0.066 15.378 -4.323 1.00 0.00 C ATOM 1929 O SER A 134 -0.098 14.456 -3.531 1.00 0.00 O ATOM 1930 CB SER A 134 -2.051 16.786 -4.402 1.00 0.00 C ATOM 1931 OG SER A 134 -2.808 15.887 -3.600 1.00 0.00 O ATOM 0 H SER A 134 -0.417 18.196 -5.566 1.00 0.00 H new ATOM 0 HA SER A 134 -0.419 16.960 -2.994 1.00 0.00 H new ATOM 0 HB2 SER A 134 -2.435 17.797 -4.269 1.00 0.00 H new ATOM 0 HB3 SER A 134 -2.185 16.530 -5.453 1.00 0.00 H new ATOM 0 HG SER A 134 -3.753 15.939 -3.853 1.00 0.00 H new ATOM 1937 N THR A 135 0.765 15.237 -5.417 1.00 0.00 N ATOM 1938 CA THR A 135 1.366 13.978 -5.749 1.00 0.00 C ATOM 1939 C THR A 135 2.682 13.812 -5.015 1.00 0.00 C ATOM 1940 O THR A 135 3.187 12.721 -4.879 1.00 0.00 O ATOM 1941 CB THR A 135 1.560 13.813 -7.297 1.00 0.00 C ATOM 1942 OG1 THR A 135 2.046 12.502 -7.623 1.00 0.00 O ATOM 1943 CG2 THR A 135 2.526 14.838 -7.867 1.00 0.00 C ATOM 0 H THR A 135 0.931 15.982 -6.094 1.00 0.00 H new ATOM 0 HA THR A 135 0.685 13.190 -5.427 1.00 0.00 H new ATOM 0 HB THR A 135 0.577 13.967 -7.741 1.00 0.00 H new ATOM 0 HG1 THR A 135 2.013 11.933 -6.826 1.00 0.00 H new ATOM 0 HG21 THR A 135 2.628 14.684 -8.941 1.00 0.00 H new ATOM 0 HG22 THR A 135 2.144 15.842 -7.679 1.00 0.00 H new ATOM 0 HG23 THR A 135 3.500 14.725 -7.390 1.00 0.00 H new ATOM 1951 N LYS A 136 3.232 14.877 -4.538 1.00 0.00 N ATOM 1952 CA LYS A 136 4.489 14.757 -3.879 1.00 0.00 C ATOM 1953 C LYS A 136 4.297 14.794 -2.398 1.00 0.00 C ATOM 1954 O LYS A 136 5.103 14.241 -1.637 1.00 0.00 O ATOM 1955 CB LYS A 136 5.476 15.791 -4.398 1.00 0.00 C ATOM 1956 CG LYS A 136 5.589 15.707 -5.913 1.00 0.00 C ATOM 1957 CD LYS A 136 6.701 16.548 -6.501 1.00 0.00 C ATOM 1958 CE LYS A 136 8.076 16.016 -6.130 1.00 0.00 C ATOM 1959 NZ LYS A 136 9.140 16.702 -6.877 1.00 0.00 N ATOM 0 H LYS A 136 2.844 15.819 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 136 4.933 13.789 -4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 136 5.152 16.790 -4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 136 6.454 15.628 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 136 5.747 14.667 -6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 136 4.642 16.018 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 136 6.602 16.572 -7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 136 6.603 17.575 -6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 136 8.240 16.145 -5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 136 8.120 14.946 -6.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 10.064 16.314 -6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 8.996 16.558 -7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 9.113 17.720 -6.664 1.00 0.00 H new ATOM 1973 N THR A 137 3.255 15.466 -1.985 1.00 0.00 N ATOM 1974 CA THR A 137 2.889 15.451 -0.625 1.00 0.00 C ATOM 1975 C THR A 137 2.261 14.102 -0.331 1.00 0.00 C ATOM 1976 O THR A 137 2.640 13.420 0.627 1.00 0.00 O ATOM 1977 CB THR A 137 1.904 16.598 -0.297 1.00 0.00 C ATOM 1978 OG1 THR A 137 0.847 16.615 -1.259 1.00 0.00 O ATOM 1979 CG2 THR A 137 2.600 17.952 -0.295 1.00 0.00 C ATOM 0 H THR A 137 2.653 16.028 -2.587 1.00 0.00 H new ATOM 0 HA THR A 137 3.770 15.604 -0.002 1.00 0.00 H new ATOM 0 HB THR A 137 1.504 16.418 0.701 1.00 0.00 H new ATOM 0 HG1 THR A 137 0.145 17.231 -0.962 1.00 0.00 H new ATOM 0 HG21 THR A 137 1.876 18.733 -0.061 1.00 0.00 H new ATOM 0 HG22 THR A 137 3.391 17.953 0.455 1.00 0.00 H new ATOM 0 HG23 THR A 137 3.032 18.141 -1.278 1.00 0.00 H new ATOM 1987 N GLY A 138 1.342 13.707 -1.198 1.00 0.00 N ATOM 1988 CA GLY A 138 0.656 12.476 -1.052 1.00 0.00 C ATOM 1989 C GLY A 138 -0.347 12.570 0.046 1.00 0.00 C ATOM 1990 O GLY A 138 0.011 12.414 1.220 1.00 0.00 O ATOM 0 H GLY A 138 1.065 14.247 -2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 138 0.159 12.216 -1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 138 1.367 11.679 -0.837 1.00 0.00 H new ATOM 1994 N ASN A 139 -1.601 12.893 -0.299 1.00 0.00 N ATOM 1995 CA ASN A 139 -2.679 12.944 0.716 1.00 0.00 C ATOM 1996 C ASN A 139 -2.750 11.589 1.436 1.00 0.00 C ATOM 1997 O ASN A 139 -3.189 10.588 0.881 1.00 0.00 O ATOM 1998 CB ASN A 139 -4.032 13.298 0.062 1.00 0.00 C ATOM 1999 CG ASN A 139 -5.191 13.491 1.056 1.00 0.00 C ATOM 2000 OD1 ASN A 139 -5.260 12.869 2.122 1.00 0.00 O ATOM 2001 ND2 ASN A 139 -6.101 14.370 0.718 1.00 0.00 N ATOM 0 H ASN A 139 -1.897 13.119 -1.249 1.00 0.00 H new ATOM 0 HA ASN A 139 -2.457 13.725 1.443 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -3.912 14.213 -0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -4.300 12.508 -0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -6.888 14.554 1.340 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -6.022 14.871 -0.167 1.00 0.00 H new ATOM 2008 N ALA A 140 -2.284 11.555 2.651 1.00 0.00 N ATOM 2009 CA ALA A 140 -2.161 10.319 3.351 1.00 0.00 C ATOM 2010 C ALA A 140 -3.098 10.211 4.520 1.00 0.00 C ATOM 2011 O ALA A 140 -3.166 11.100 5.372 1.00 0.00 O ATOM 2012 CB ALA A 140 -0.722 10.105 3.802 1.00 0.00 C ATOM 0 H ALA A 140 -1.983 12.376 3.176 1.00 0.00 H new ATOM 0 HA ALA A 140 -2.443 9.533 2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.645 9.157 4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -0.067 10.086 2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -0.423 10.918 4.463 1.00 0.00 H new ATOM 2018 N GLY A 141 -3.834 9.132 4.537 1.00 0.00 N ATOM 2019 CA GLY A 141 -4.634 8.799 5.672 1.00 0.00 C ATOM 2020 C GLY A 141 -3.773 7.974 6.569 1.00 0.00 C ATOM 2021 O GLY A 141 -3.542 6.804 6.292 1.00 0.00 O ATOM 0 H GLY A 141 -3.892 8.466 3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -4.976 9.699 6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -5.523 8.245 5.371 1.00 0.00 H new ATOM 2025 N SER A 142 -3.254 8.584 7.593 1.00 0.00 N ATOM 2026 CA SER A 142 -2.270 7.943 8.419 1.00 0.00 C ATOM 2027 C SER A 142 -2.882 7.153 9.583 1.00 0.00 C ATOM 2028 O SER A 142 -2.155 6.522 10.352 1.00 0.00 O ATOM 2029 CB SER A 142 -1.274 8.987 8.905 1.00 0.00 C ATOM 2030 OG SER A 142 -0.775 9.742 7.800 1.00 0.00 O ATOM 0 H SER A 142 -3.497 9.532 7.879 1.00 0.00 H new ATOM 0 HA SER A 142 -1.752 7.199 7.813 1.00 0.00 H new ATOM 0 HB2 SER A 142 -1.754 9.652 9.623 1.00 0.00 H new ATOM 0 HB3 SER A 142 -0.449 8.500 9.424 1.00 0.00 H new ATOM 0 HG SER A 142 -1.129 10.655 7.841 1.00 0.00 H new ATOM 2036 N ARG A 143 -4.111 7.261 9.766 1.00 0.00 N ATOM 2037 CA ARG A 143 -4.719 6.426 10.733 1.00 0.00 C ATOM 2038 C ARG A 143 -6.075 6.049 10.302 1.00 0.00 C ATOM 2039 O ARG A 143 -6.689 5.215 10.958 1.00 0.00 O ATOM 2040 CB ARG A 143 -4.774 7.053 12.147 1.00 0.00 C ATOM 2041 CG ARG A 143 -5.724 8.231 12.293 1.00 0.00 C ATOM 2042 CD ARG A 143 -5.925 8.605 13.762 1.00 0.00 C ATOM 2043 NE ARG A 143 -6.388 7.457 14.574 1.00 0.00 N ATOM 2044 CZ ARG A 143 -7.634 6.942 14.571 1.00 0.00 C ATOM 2045 NH1 ARG A 143 -8.591 7.510 13.834 1.00 0.00 N ATOM 2046 NH2 ARG A 143 -7.914 5.886 15.329 1.00 0.00 N ATOM 0 H ARG A 143 -4.732 7.905 9.276 1.00 0.00 H new ATOM 0 HA ARG A 143 -4.088 5.541 10.808 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.065 6.281 12.859 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -3.771 7.379 12.423 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -5.329 9.089 11.748 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.686 7.983 11.844 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -4.987 8.982 14.171 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -6.652 9.414 13.833 1.00 0.00 H new ATOM 0 HE ARG A 143 -5.704 7.017 15.190 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -8.380 8.335 13.272 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -9.533 7.119 13.833 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -7.187 5.468 15.910 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -8.856 5.494 15.329 1.00 0.00 H new ATOM 2060 N LEU A 144 -6.599 6.693 9.262 1.00 0.00 N ATOM 2061 CA LEU A 144 -7.968 6.441 8.837 1.00 0.00 C ATOM 2062 C LEU A 144 -8.149 4.965 8.583 1.00 0.00 C ATOM 2063 O LEU A 144 -9.150 4.366 9.011 1.00 0.00 O ATOM 2064 CB LEU A 144 -8.330 7.298 7.588 1.00 0.00 C ATOM 2065 CG LEU A 144 -9.825 7.360 7.125 1.00 0.00 C ATOM 2066 CD1 LEU A 144 -10.320 6.057 6.518 1.00 0.00 C ATOM 2067 CD2 LEU A 144 -10.733 7.791 8.271 1.00 0.00 C ATOM 0 H LEU A 144 -6.100 7.386 8.704 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.655 6.739 9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -8.001 8.319 7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -7.740 6.927 6.750 1.00 0.00 H new ATOM 0 HG LEU A 144 -9.866 8.109 6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -11.362 6.168 6.218 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -9.716 5.810 5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -10.237 5.258 7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -11.766 7.826 7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -10.650 7.076 9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.434 8.779 8.620 1.00 0.00 H new ATOM 2079 N ALA A 145 -7.187 4.373 7.943 1.00 0.00 N ATOM 2080 CA ALA A 145 -7.241 3.011 7.639 1.00 0.00 C ATOM 2081 C ALA A 145 -5.858 2.481 7.610 1.00 0.00 C ATOM 2082 O ALA A 145 -5.159 2.554 6.597 1.00 0.00 O ATOM 2083 CB ALA A 145 -7.938 2.786 6.337 1.00 0.00 C ATOM 0 H ALA A 145 -6.341 4.844 7.622 1.00 0.00 H new ATOM 0 HA ALA A 145 -7.813 2.483 8.401 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -7.968 1.718 6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -8.955 3.173 6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -7.400 3.302 5.542 1.00 0.00 H new ATOM 2089 N CYS A 146 -5.445 2.046 8.740 1.00 0.00 N ATOM 2090 CA CYS A 146 -4.170 1.467 8.930 1.00 0.00 C ATOM 2091 C CYS A 146 -4.366 0.112 9.588 1.00 0.00 C ATOM 2092 O CYS A 146 -5.380 -0.122 10.253 1.00 0.00 O ATOM 2093 CB CYS A 146 -3.252 2.405 9.770 1.00 0.00 C ATOM 2094 SG CYS A 146 -2.487 3.831 8.860 1.00 0.00 S ATOM 0 H CYS A 146 -6.007 2.085 9.590 1.00 0.00 H new ATOM 0 HA CYS A 146 -3.665 1.330 7.974 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -3.836 2.802 10.601 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -2.451 1.804 10.201 1.00 0.00 H new ATOM 2099 N GLY A 147 -3.476 -0.786 9.328 1.00 0.00 N ATOM 2100 CA GLY A 147 -3.525 -2.095 9.911 1.00 0.00 C ATOM 2101 C GLY A 147 -2.261 -2.802 9.591 1.00 0.00 C ATOM 2102 O GLY A 147 -1.760 -2.644 8.483 1.00 0.00 O ATOM 0 H GLY A 147 -2.686 -0.636 8.701 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -3.656 -2.024 10.991 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -4.378 -2.651 9.522 1.00 0.00 H new ATOM 2106 N VAL A 148 -1.701 -3.538 10.517 1.00 0.00 N ATOM 2107 CA VAL A 148 -0.469 -4.235 10.218 1.00 0.00 C ATOM 2108 C VAL A 148 -0.703 -5.417 9.318 1.00 0.00 C ATOM 2109 O VAL A 148 -1.341 -6.416 9.695 1.00 0.00 O ATOM 2110 CB VAL A 148 0.419 -4.627 11.446 1.00 0.00 C ATOM 2111 CG1 VAL A 148 1.014 -3.402 12.102 1.00 0.00 C ATOM 2112 CG2 VAL A 148 -0.341 -5.454 12.469 1.00 0.00 C ATOM 0 H VAL A 148 -2.064 -3.671 11.461 1.00 0.00 H new ATOM 0 HA VAL A 148 0.123 -3.488 9.689 1.00 0.00 H new ATOM 0 HB VAL A 148 1.228 -5.247 11.059 1.00 0.00 H new ATOM 0 HG11 VAL A 148 1.626 -3.705 12.952 1.00 0.00 H new ATOM 0 HG12 VAL A 148 1.633 -2.868 11.381 1.00 0.00 H new ATOM 0 HG13 VAL A 148 0.213 -2.748 12.447 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.319 -5.700 13.301 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -1.193 -4.883 12.838 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.695 -6.373 12.003 1.00 0.00 H new ATOM 2122 N ILE A 149 -0.236 -5.280 8.121 1.00 0.00 N ATOM 2123 CA ILE A 149 -0.319 -6.308 7.153 1.00 0.00 C ATOM 2124 C ILE A 149 0.869 -7.159 7.358 1.00 0.00 C ATOM 2125 O ILE A 149 1.939 -6.662 7.781 1.00 0.00 O ATOM 2126 CB ILE A 149 -0.464 -5.779 5.682 1.00 0.00 C ATOM 2127 CG1 ILE A 149 0.832 -5.206 5.060 1.00 0.00 C ATOM 2128 CG2 ILE A 149 -1.537 -4.737 5.650 1.00 0.00 C ATOM 2129 CD1 ILE A 149 1.762 -6.248 4.442 1.00 0.00 C ATOM 0 H ILE A 149 0.222 -4.431 7.788 1.00 0.00 H new ATOM 0 HA ILE A 149 -1.234 -6.885 7.288 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.717 -6.646 5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 149 0.560 -4.482 4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 149 1.379 -4.663 5.831 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -1.648 -4.361 4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -2.479 -5.175 5.980 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -1.266 -3.916 6.313 1.00 0.00 H new ATOM 0 HD11 ILE A 149 2.642 -5.753 4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.070 -6.960 5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 149 1.238 -6.776 3.645 1.00 0.00 H new ATOM 2141 N GLY A 150 0.723 -8.394 7.144 1.00 0.00 N ATOM 2142 CA GLY A 150 1.761 -9.233 7.501 1.00 0.00 C ATOM 2143 C GLY A 150 1.835 -10.406 6.660 1.00 0.00 C ATOM 2144 O GLY A 150 0.813 -10.898 6.193 1.00 0.00 O ATOM 0 H GLY A 150 -0.096 -8.838 6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 150 2.703 -8.687 7.442 1.00 0.00 H new ATOM 0 HA3 GLY A 150 1.635 -9.541 8.539 1.00 0.00 H new ATOM 2148 N ILE A 151 3.040 -10.803 6.380 1.00 0.00 N ATOM 2149 CA ILE A 151 3.309 -12.071 5.787 1.00 0.00 C ATOM 2150 C ILE A 151 2.653 -13.175 6.607 1.00 0.00 C ATOM 2151 O ILE A 151 3.088 -13.519 7.714 1.00 0.00 O ATOM 2152 CB ILE A 151 4.843 -12.339 5.685 1.00 0.00 C ATOM 2153 CG1 ILE A 151 5.122 -13.796 5.275 1.00 0.00 C ATOM 2154 CG2 ILE A 151 5.589 -11.955 6.978 1.00 0.00 C ATOM 2155 CD1 ILE A 151 6.583 -14.156 5.221 1.00 0.00 C ATOM 0 H ILE A 151 3.874 -10.244 6.561 1.00 0.00 H new ATOM 0 HA ILE A 151 2.896 -12.063 4.778 1.00 0.00 H new ATOM 0 HB ILE A 151 5.234 -11.692 4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 151 4.622 -14.461 5.979 1.00 0.00 H new ATOM 0 HG13 ILE A 151 4.679 -13.977 4.296 1.00 0.00 H new ATOM 0 HG21 ILE A 151 6.653 -12.160 6.859 1.00 0.00 H new ATOM 0 HG22 ILE A 151 5.444 -10.894 7.180 1.00 0.00 H new ATOM 0 HG23 ILE A 151 5.198 -12.540 7.811 1.00 0.00 H new ATOM 0 HD11 ILE A 151 6.690 -15.199 4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 151 7.088 -13.519 4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 151 7.030 -14.011 6.204 1.00 0.00 H new ATOM 2167 N ALA A 152 1.580 -13.664 6.096 1.00 0.00 N ATOM 2168 CA ALA A 152 0.893 -14.766 6.646 1.00 0.00 C ATOM 2169 C ALA A 152 0.240 -15.464 5.510 1.00 0.00 C ATOM 2170 O ALA A 152 0.005 -14.847 4.464 1.00 0.00 O ATOM 2171 CB ALA A 152 -0.133 -14.327 7.691 1.00 0.00 C ATOM 0 H ALA A 152 1.145 -13.291 5.253 1.00 0.00 H new ATOM 0 HA ALA A 152 1.583 -15.428 7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -0.642 -15.204 8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 152 0.374 -13.800 8.500 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -0.863 -13.664 7.228 1.00 0.00 H new ATOM 2177 N GLN A 153 -0.005 -16.704 5.665 1.00 0.00 N ATOM 2178 CA GLN A 153 -0.670 -17.469 4.673 1.00 0.00 C ATOM 2179 C GLN A 153 -1.489 -18.489 5.400 1.00 0.00 C ATOM 2180 O GLN A 153 -2.734 -18.424 5.354 1.00 0.00 O ATOM 2181 CB GLN A 153 0.326 -18.145 3.733 1.00 0.00 C ATOM 2182 CG GLN A 153 -0.330 -18.774 2.517 1.00 0.00 C ATOM 2183 CD GLN A 153 0.643 -19.537 1.662 1.00 0.00 C ATOM 2184 OE1 GLN A 153 1.274 -18.982 0.753 1.00 0.00 O ATOM 2185 NE2 GLN A 153 0.785 -20.800 1.933 1.00 0.00 N ATOM 2186 OXT GLN A 153 -0.889 -19.291 6.151 1.00 0.00 O ATOM 0 H GLN A 153 0.253 -17.233 6.498 1.00 0.00 H new ATOM 0 HA GLN A 153 -1.297 -16.830 4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 153 1.060 -17.410 3.402 1.00 0.00 H new ATOM 0 HB3 GLN A 153 0.870 -18.913 4.282 1.00 0.00 H new ATOM 0 HG2 GLN A 153 -1.124 -19.445 2.844 1.00 0.00 H new ATOM 0 HG3 GLN A 153 -0.799 -17.994 1.918 1.00 0.00 H new ATOM 0 HE21 GLN A 153 0.248 -21.223 2.690 1.00 0.00 H new ATOM 0 HE22 GLN A 153 1.434 -21.369 1.389 1.00 0.00 H new TER 2195 GLN A 153 HETATM 2196 CU CU A 201 -0.707 6.814 1.421 1.00 0.00 CU