USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 670 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 64 THR OG1 : rot 130:sc= -0.758 USER MOD Set 1.2: A 76 GLN : amide:sc= -2.87 K(o=-3.6,f=-4.7!) USER MOD Set 2.1: A 72 GLN : amide:sc= -4.12! C(o=-3.3!,f=-3.4!) USER MOD Set 2.2: A 74 SER OG : rot 119:sc= 0.823 USER MOD Set 3.1: A 63 GLN : amide:sc= -1.32 K(o=-13,f=-15!) USER MOD Set 3.2: A 65 HIS : no HD1:sc= -11.6! C(o=-13!,f=-9.4!) USER MOD Set 4.1: A 28 LYS NZ :NH3+ -161:sc=-0.00383 (180deg=-0.515) USER MOD Set 4.2: A 29 LYS NZ :NH3+ -121:sc= -0.0189 (180deg=-0.348) USER MOD Set 5.1: A 13 HIS : no HD1:sc= -2.92! C(o=-5.4!,f=-8.3!) USER MOD Set 5.2: A 66 GLN : amide:sc= -2.47 K(o=-5.4,f=-4.6) USER MOD Single : A 1 LEU N :NH3+ -100:sc= -0.228 (180deg=-1.09!) USER MOD Single : A 7 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.63) USER MOD Single : A 12 ASN : amide:sc= -1.69! K(o=-1.7!,f=-0.89) USER MOD Single : A 16 SER OG : rot -46:sc= -3.92! USER MOD Single : A 17 GLN : amide:sc= -0.966 X(o=-0.97,f=-0.92) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -150:sc= -1.33 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -6.61! C(o=-6.6!,f=-6.4!) USER MOD Single : A 26 HIS : no HE2:sc= -14.1! C(o=-14!,f=-15!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 21:sc= 0.117 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0.00993 USER MOD Single : A 35 GLN : amide:sc= -5.78! C(o=-5.8!,f=-12!) USER MOD Single : A 40 THR OG1 : rot 171:sc= 0.1 USER MOD Single : A 41 LYS NZ :NH3+ 168:sc= -0.159 (180deg=-0.285) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 163:sc= 0.00292! USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00767) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.74 K(o=-0.74,f=-3.3!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -2.61! C(o=-2.6!,f=-6.9!) USER MOD Single : A 71 LYS NZ :NH3+ 136:sc= 0.56 (180deg=0.00314) USER MOD Single : A 75 SER OG : rot 72:sc= 1.27 USER MOD Single : A 82 THR OG1 : rot -95:sc= -0.566 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -24.957 20.302 9.994 1.00 0.00 N ATOM 2 CA LEU A 1 -24.511 18.909 9.675 1.00 0.00 C ATOM 3 C LEU A 1 -25.561 17.887 10.123 1.00 0.00 C ATOM 4 O LEU A 1 -26.470 18.201 10.868 1.00 0.00 O ATOM 5 CB LEU A 1 -23.189 18.709 10.434 1.00 0.00 C ATOM 6 CG LEU A 1 -23.430 18.765 11.949 1.00 0.00 C ATOM 7 CD1 LEU A 1 -23.485 17.365 12.571 1.00 0.00 C ATOM 8 CD2 LEU A 1 -22.360 19.630 12.621 1.00 0.00 C ATOM 0 H1 LEU A 1 -25.344 20.747 9.138 1.00 0.00 H new ATOM 0 H2 LEU A 1 -25.691 20.272 10.730 1.00 0.00 H new ATOM 0 H3 LEU A 1 -24.146 20.856 10.336 1.00 0.00 H new ATOM 0 HA LEU A 1 -24.379 18.766 8.603 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -22.749 17.749 10.164 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -22.475 19.480 10.144 1.00 0.00 H new ATOM 0 HG LEU A 1 -24.405 19.223 12.118 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -23.657 17.450 13.644 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -24.297 16.797 12.117 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -22.540 16.851 12.395 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -22.541 19.663 13.695 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -21.375 19.203 12.431 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -22.401 20.641 12.215 1.00 0.00 H new ATOM 22 N ASP A 2 -25.433 16.666 9.658 1.00 0.00 N ATOM 23 CA ASP A 2 -26.410 15.591 10.021 1.00 0.00 C ATOM 24 C ASP A 2 -27.863 16.083 9.868 1.00 0.00 C ATOM 25 O ASP A 2 -28.637 16.027 10.806 1.00 0.00 O ATOM 26 CB ASP A 2 -26.096 15.242 11.478 1.00 0.00 C ATOM 27 CG ASP A 2 -26.366 13.754 11.714 1.00 0.00 C ATOM 28 OD1 ASP A 2 -25.514 12.954 11.360 1.00 0.00 O ATOM 29 OD2 ASP A 2 -27.419 13.440 12.243 1.00 0.00 O ATOM 0 H ASP A 2 -24.683 16.366 9.035 1.00 0.00 H new ATOM 0 HA ASP A 2 -26.319 14.724 9.367 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -25.055 15.474 11.703 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -26.709 15.845 12.148 1.00 0.00 H new ATOM 34 N PRO A 3 -28.192 16.534 8.675 1.00 0.00 N ATOM 35 CA PRO A 3 -29.559 17.014 8.392 1.00 0.00 C ATOM 36 C PRO A 3 -30.422 15.803 7.991 1.00 0.00 C ATOM 37 O PRO A 3 -31.026 15.166 8.833 1.00 0.00 O ATOM 38 CB PRO A 3 -29.357 17.995 7.239 1.00 0.00 C ATOM 39 CG PRO A 3 -28.083 17.565 6.564 1.00 0.00 C ATOM 40 CD PRO A 3 -27.335 16.630 7.492 1.00 0.00 C ATOM 0 HA PRO A 3 -30.066 17.492 9.230 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -30.198 17.965 6.546 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -29.281 19.019 7.604 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -28.305 17.065 5.621 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -27.469 18.434 6.327 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -27.180 15.654 7.033 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -26.350 17.024 7.745 1.00 0.00 H new ATOM 48 N VAL A 4 -30.433 15.443 6.726 1.00 0.00 N ATOM 49 CA VAL A 4 -31.193 14.230 6.293 1.00 0.00 C ATOM 50 C VAL A 4 -30.400 13.015 6.789 1.00 0.00 C ATOM 51 O VAL A 4 -30.878 12.197 7.552 1.00 0.00 O ATOM 52 CB VAL A 4 -31.203 14.298 4.758 1.00 0.00 C ATOM 53 CG1 VAL A 4 -31.518 12.962 4.075 1.00 0.00 C ATOM 54 CG2 VAL A 4 -32.223 15.342 4.295 1.00 0.00 C ATOM 0 H VAL A 4 -29.948 15.939 5.978 1.00 0.00 H new ATOM 0 HA VAL A 4 -32.211 14.167 6.679 1.00 0.00 H new ATOM 0 HB VAL A 4 -30.190 14.572 4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -31.506 13.095 2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -30.769 12.223 4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -32.504 12.617 4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -32.228 15.388 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -33.215 15.064 4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -31.953 16.318 4.698 1.00 0.00 H new ATOM 64 N ASP A 5 -29.159 12.960 6.386 1.00 0.00 N ATOM 65 CA ASP A 5 -28.222 11.891 6.824 1.00 0.00 C ATOM 66 C ASP A 5 -26.813 12.492 6.707 1.00 0.00 C ATOM 67 O ASP A 5 -26.220 12.833 7.713 1.00 0.00 O ATOM 68 CB ASP A 5 -28.445 10.693 5.887 1.00 0.00 C ATOM 69 CG ASP A 5 -29.040 9.523 6.675 1.00 0.00 C ATOM 70 OD1 ASP A 5 -28.271 8.737 7.204 1.00 0.00 O ATOM 71 OD2 ASP A 5 -30.256 9.430 6.735 1.00 0.00 O ATOM 0 H ASP A 5 -28.744 13.639 5.748 1.00 0.00 H new ATOM 0 HA ASP A 5 -28.370 11.546 7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -29.115 10.975 5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -27.501 10.394 5.432 1.00 0.00 H new ATOM 76 N PRO A 6 -26.348 12.694 5.484 1.00 0.00 N ATOM 77 CA PRO A 6 -25.055 13.353 5.265 1.00 0.00 C ATOM 78 C PRO A 6 -25.338 14.841 5.009 1.00 0.00 C ATOM 79 O PRO A 6 -26.453 15.291 5.189 1.00 0.00 O ATOM 80 CB PRO A 6 -24.522 12.665 4.016 1.00 0.00 C ATOM 81 CG PRO A 6 -25.744 12.161 3.294 1.00 0.00 C ATOM 82 CD PRO A 6 -26.949 12.337 4.196 1.00 0.00 C ATOM 0 HA PRO A 6 -24.349 13.286 6.093 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -23.955 13.359 3.395 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -23.850 11.846 4.273 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -25.886 12.710 2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -25.620 11.111 3.030 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -27.615 13.119 3.831 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -27.538 11.423 4.265 1.00 0.00 H new ATOM 90 N ASN A 7 -24.377 15.613 4.580 1.00 0.00 N ATOM 91 CA ASN A 7 -24.675 17.060 4.325 1.00 0.00 C ATOM 92 C ASN A 7 -25.505 17.209 3.044 1.00 0.00 C ATOM 93 O ASN A 7 -26.568 17.799 3.052 1.00 0.00 O ATOM 94 CB ASN A 7 -23.315 17.748 4.174 1.00 0.00 C ATOM 95 CG ASN A 7 -22.606 17.799 5.530 1.00 0.00 C ATOM 96 OD1 ASN A 7 -23.085 18.420 6.459 1.00 0.00 O ATOM 97 ND2 ASN A 7 -21.474 17.169 5.683 1.00 0.00 N ATOM 0 H ASN A 7 -23.418 15.318 4.397 1.00 0.00 H new ATOM 0 HA ASN A 7 -25.254 17.504 5.135 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -22.702 17.207 3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -23.449 18.757 3.785 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -20.992 17.198 6.581 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -21.071 16.648 4.904 1.00 0.00 H new ATOM 104 N ILE A 8 -25.030 16.665 1.953 1.00 0.00 N ATOM 105 CA ILE A 8 -25.788 16.752 0.661 1.00 0.00 C ATOM 106 C ILE A 8 -25.830 15.375 -0.028 1.00 0.00 C ATOM 107 O ILE A 8 -26.146 15.273 -1.199 1.00 0.00 O ATOM 108 CB ILE A 8 -25.035 17.777 -0.220 1.00 0.00 C ATOM 109 CG1 ILE A 8 -23.700 17.187 -0.724 1.00 0.00 C ATOM 110 CG2 ILE A 8 -24.777 19.073 0.564 1.00 0.00 C ATOM 111 CD1 ILE A 8 -22.676 17.086 0.412 1.00 0.00 C ATOM 0 H ILE A 8 -24.145 16.161 1.898 1.00 0.00 H new ATOM 0 HA ILE A 8 -26.820 17.062 0.827 1.00 0.00 H new ATOM 0 HB ILE A 8 -25.660 18.007 -1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -23.874 16.199 -1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -23.301 17.813 -1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -24.247 19.783 -0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -25.728 19.505 0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -24.173 18.852 1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -21.746 16.667 0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -22.486 18.079 0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -23.067 16.440 1.198 1.00 0.00 H new ATOM 123 N GLU A 9 -25.497 14.321 0.691 1.00 0.00 N ATOM 124 CA GLU A 9 -25.493 12.943 0.096 1.00 0.00 C ATOM 125 C GLU A 9 -24.580 12.900 -1.138 1.00 0.00 C ATOM 126 O GLU A 9 -25.026 12.595 -2.225 1.00 0.00 O ATOM 127 CB GLU A 9 -26.949 12.644 -0.286 1.00 0.00 C ATOM 128 CG GLU A 9 -27.704 12.100 0.928 1.00 0.00 C ATOM 129 CD GLU A 9 -29.116 11.679 0.512 1.00 0.00 C ATOM 130 OE1 GLU A 9 -29.261 10.580 0.003 1.00 0.00 O ATOM 131 OE2 GLU A 9 -30.029 12.464 0.711 1.00 0.00 O ATOM 0 H GLU A 9 -25.226 14.360 1.673 1.00 0.00 H new ATOM 0 HA GLU A 9 -25.112 12.200 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -27.432 13.551 -0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -26.979 11.919 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -27.170 11.248 1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -27.756 12.861 1.707 1.00 0.00 H new ATOM 138 N PRO A 10 -23.323 13.216 -0.921 1.00 0.00 N ATOM 139 CA PRO A 10 -22.330 13.218 -2.023 1.00 0.00 C ATOM 140 C PRO A 10 -21.730 11.822 -2.242 1.00 0.00 C ATOM 141 O PRO A 10 -20.556 11.687 -2.539 1.00 0.00 O ATOM 142 CB PRO A 10 -21.251 14.155 -1.519 1.00 0.00 C ATOM 143 CG PRO A 10 -21.342 14.086 -0.023 1.00 0.00 C ATOM 144 CD PRO A 10 -22.722 13.611 0.357 1.00 0.00 C ATOM 0 HA PRO A 10 -22.772 13.516 -2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -20.266 13.846 -1.869 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -21.413 15.172 -1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -20.587 13.406 0.370 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -21.146 15.066 0.413 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -22.679 12.774 1.054 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -23.297 14.400 0.842 1.00 0.00 H new ATOM 152 N TRP A 11 -22.510 10.786 -2.116 1.00 0.00 N ATOM 153 CA TRP A 11 -21.958 9.421 -2.329 1.00 0.00 C ATOM 154 C TRP A 11 -22.375 8.936 -3.717 1.00 0.00 C ATOM 155 O TRP A 11 -22.926 7.873 -3.888 1.00 0.00 O ATOM 156 CB TRP A 11 -22.581 8.555 -1.229 1.00 0.00 C ATOM 157 CG TRP A 11 -22.112 9.007 0.115 1.00 0.00 C ATOM 158 CD1 TRP A 11 -22.563 10.100 0.770 1.00 0.00 C ATOM 159 CD2 TRP A 11 -21.116 8.392 0.979 1.00 0.00 C ATOM 160 NE1 TRP A 11 -21.904 10.198 1.979 1.00 0.00 N ATOM 161 CE2 TRP A 11 -21.001 9.165 2.156 1.00 0.00 C ATOM 162 CE3 TRP A 11 -20.307 7.250 0.857 1.00 0.00 C ATOM 163 CZ2 TRP A 11 -20.115 8.811 3.174 1.00 0.00 C ATOM 164 CZ3 TRP A 11 -19.417 6.897 1.878 1.00 0.00 C ATOM 165 CH2 TRP A 11 -19.323 7.674 3.033 1.00 0.00 C ATOM 0 H TRP A 11 -23.501 10.825 -1.876 1.00 0.00 H new ATOM 0 HA TRP A 11 -20.870 9.385 -2.280 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -23.668 8.615 -1.281 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -22.312 7.510 -1.383 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -23.316 10.784 0.407 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -22.063 10.941 2.659 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -20.372 6.640 -0.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -20.044 9.415 4.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -18.799 6.018 1.771 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -18.636 7.394 3.818 1.00 0.00 H new ATOM 176 N ASN A 12 -22.113 9.732 -4.716 1.00 0.00 N ATOM 177 CA ASN A 12 -22.492 9.348 -6.102 1.00 0.00 C ATOM 178 C ASN A 12 -21.345 9.672 -7.048 1.00 0.00 C ATOM 179 O ASN A 12 -20.989 10.820 -7.249 1.00 0.00 O ATOM 180 CB ASN A 12 -23.752 10.159 -6.459 1.00 0.00 C ATOM 181 CG ASN A 12 -23.855 11.432 -5.610 1.00 0.00 C ATOM 182 OD1 ASN A 12 -23.637 12.522 -6.099 1.00 0.00 O ATOM 183 ND2 ASN A 12 -24.177 11.334 -4.346 1.00 0.00 N ATOM 0 H ASN A 12 -21.650 10.637 -4.630 1.00 0.00 H new ATOM 0 HA ASN A 12 -22.696 8.281 -6.186 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -23.728 10.425 -7.516 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -24.639 9.544 -6.305 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -24.245 12.173 -3.771 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -24.360 10.418 -3.936 1.00 0.00 H new ATOM 190 N HIS A 13 -20.752 8.660 -7.611 1.00 0.00 N ATOM 191 CA HIS A 13 -19.604 8.873 -8.532 1.00 0.00 C ATOM 192 C HIS A 13 -20.053 8.765 -9.995 1.00 0.00 C ATOM 193 O HIS A 13 -20.995 8.061 -10.306 1.00 0.00 O ATOM 194 CB HIS A 13 -18.629 7.744 -8.186 1.00 0.00 C ATOM 195 CG HIS A 13 -17.873 8.085 -6.926 1.00 0.00 C ATOM 196 ND1 HIS A 13 -16.829 7.303 -6.459 1.00 0.00 N ATOM 197 CD2 HIS A 13 -17.987 9.126 -6.038 1.00 0.00 C ATOM 198 CE1 HIS A 13 -16.358 7.882 -5.339 1.00 0.00 C ATOM 199 NE2 HIS A 13 -17.028 8.996 -5.038 1.00 0.00 N ATOM 0 H HIS A 13 -21.016 7.685 -7.471 1.00 0.00 H new ATOM 0 HA HIS A 13 -19.159 9.862 -8.419 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -19.174 6.810 -8.052 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -17.931 7.590 -9.009 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -18.711 9.925 -6.105 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -15.537 7.492 -4.755 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -16.871 9.618 -4.245 1.00 0.00 H new ATOM 207 N PRO A 14 -19.342 9.459 -10.851 1.00 0.00 N ATOM 208 CA PRO A 14 -19.649 9.429 -12.302 1.00 0.00 C ATOM 209 C PRO A 14 -19.179 8.107 -12.911 1.00 0.00 C ATOM 210 O PRO A 14 -19.473 7.805 -14.048 1.00 0.00 O ATOM 211 CB PRO A 14 -18.829 10.577 -12.871 1.00 0.00 C ATOM 212 CG PRO A 14 -17.701 10.755 -11.908 1.00 0.00 C ATOM 213 CD PRO A 14 -18.197 10.327 -10.549 1.00 0.00 C ATOM 0 HA PRO A 14 -20.715 9.520 -12.510 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.462 10.344 -13.871 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.425 11.486 -12.954 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -16.841 10.156 -12.209 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -17.374 11.795 -11.887 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.427 9.794 -9.992 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.493 11.183 -9.943 1.00 0.00 H new ATOM 221 N GLY A 15 -18.419 7.339 -12.167 1.00 0.00 N ATOM 222 CA GLY A 15 -17.892 6.049 -12.695 1.00 0.00 C ATOM 223 C GLY A 15 -16.858 6.338 -13.789 1.00 0.00 C ATOM 224 O GLY A 15 -16.508 5.470 -14.557 1.00 0.00 O ATOM 0 H GLY A 15 -18.141 7.556 -11.210 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.436 5.472 -11.890 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.707 5.447 -13.098 1.00 0.00 H new ATOM 228 N SER A 16 -16.366 7.554 -13.856 1.00 0.00 N ATOM 229 CA SER A 16 -15.363 7.919 -14.897 1.00 0.00 C ATOM 230 C SER A 16 -14.317 8.892 -14.320 1.00 0.00 C ATOM 231 O SER A 16 -13.506 9.441 -15.043 1.00 0.00 O ATOM 232 CB SER A 16 -16.178 8.618 -15.983 1.00 0.00 C ATOM 233 OG SER A 16 -16.473 7.705 -17.027 1.00 0.00 O ATOM 0 H SER A 16 -16.622 8.313 -13.225 1.00 0.00 H new ATOM 0 HA SER A 16 -14.820 7.050 -15.269 1.00 0.00 H new ATOM 0 HB2 SER A 16 -17.102 9.011 -15.560 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.621 9.468 -16.378 1.00 0.00 H new ATOM 0 HG SER A 16 -15.663 7.207 -17.265 1.00 0.00 H new ATOM 239 N GLN A 17 -14.329 9.106 -13.023 1.00 0.00 N ATOM 240 CA GLN A 17 -13.344 10.035 -12.394 1.00 0.00 C ATOM 241 C GLN A 17 -12.772 9.413 -11.111 1.00 0.00 C ATOM 242 O GLN A 17 -11.594 9.158 -11.043 1.00 0.00 O ATOM 243 CB GLN A 17 -14.113 11.320 -12.091 1.00 0.00 C ATOM 244 CG GLN A 17 -14.138 12.212 -13.338 1.00 0.00 C ATOM 245 CD GLN A 17 -15.588 12.520 -13.725 1.00 0.00 C ATOM 246 OE1 GLN A 17 -16.163 13.477 -13.246 1.00 0.00 O ATOM 247 NE2 GLN A 17 -16.208 11.747 -14.577 1.00 0.00 N ATOM 0 H GLN A 17 -14.985 8.672 -12.373 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.497 10.234 -13.050 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -15.131 11.082 -11.782 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.643 11.850 -11.262 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -13.599 13.139 -13.144 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -13.629 11.714 -14.163 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -15.727 10.943 -14.980 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -17.173 11.948 -14.839 1.00 0.00 H new ATOM 256 N PRO A 18 -13.619 9.164 -10.132 1.00 0.00 N ATOM 257 CA PRO A 18 -13.139 8.528 -8.880 1.00 0.00 C ATOM 258 C PRO A 18 -12.796 7.056 -9.161 1.00 0.00 C ATOM 259 O PRO A 18 -11.923 6.481 -8.540 1.00 0.00 O ATOM 260 CB PRO A 18 -14.324 8.646 -7.930 1.00 0.00 C ATOM 261 CG PRO A 18 -15.511 8.742 -8.833 1.00 0.00 C ATOM 262 CD PRO A 18 -15.061 9.448 -10.084 1.00 0.00 C ATOM 0 HA PRO A 18 -12.241 8.989 -8.468 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.394 7.780 -7.271 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.237 9.526 -7.292 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.897 7.750 -9.068 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.319 9.292 -8.350 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.575 9.069 -10.967 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.259 10.519 -10.035 1.00 0.00 H new ATOM 270 N LYS A 19 -13.476 6.455 -10.114 1.00 0.00 N ATOM 271 CA LYS A 19 -13.197 5.032 -10.472 1.00 0.00 C ATOM 272 C LYS A 19 -12.093 4.983 -11.534 1.00 0.00 C ATOM 273 O LYS A 19 -11.159 4.209 -11.431 1.00 0.00 O ATOM 274 CB LYS A 19 -14.513 4.488 -11.033 1.00 0.00 C ATOM 275 CG LYS A 19 -15.617 4.611 -9.977 1.00 0.00 C ATOM 276 CD LYS A 19 -15.369 3.603 -8.852 1.00 0.00 C ATOM 277 CE LYS A 19 -16.582 3.569 -7.917 1.00 0.00 C ATOM 278 NZ LYS A 19 -16.115 2.790 -6.733 1.00 0.00 N ATOM 0 H LYS A 19 -14.216 6.896 -10.660 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.858 4.444 -9.619 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.792 5.040 -11.930 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.391 3.445 -11.325 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.637 5.623 -9.574 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.591 4.430 -10.432 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -15.191 2.612 -9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.474 3.878 -8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.894 4.574 -7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.438 3.092 -8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.886 2.717 -6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.830 1.836 -7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.303 3.273 -6.298 1.00 0.00 H new ATOM 292 N THR A 20 -12.176 5.829 -12.538 1.00 0.00 N ATOM 293 CA THR A 20 -11.114 5.859 -13.588 1.00 0.00 C ATOM 294 C THR A 20 -9.871 6.521 -13.003 1.00 0.00 C ATOM 295 O THR A 20 -8.761 6.059 -13.187 1.00 0.00 O ATOM 296 CB THR A 20 -11.696 6.691 -14.740 1.00 0.00 C ATOM 297 OG1 THR A 20 -12.880 6.065 -15.219 1.00 0.00 O ATOM 298 CG2 THR A 20 -10.676 6.788 -15.879 1.00 0.00 C ATOM 0 H THR A 20 -12.935 6.498 -12.672 1.00 0.00 H new ATOM 0 HA THR A 20 -10.829 4.867 -13.937 1.00 0.00 H new ATOM 0 HB THR A 20 -11.928 7.693 -14.380 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.991 6.261 -16.173 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.095 7.379 -16.693 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.767 7.266 -15.514 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.439 5.788 -16.242 1.00 0.00 H new ATOM 306 N ALA A 21 -10.071 7.603 -12.289 1.00 0.00 N ATOM 307 CA ALA A 21 -8.940 8.348 -11.647 1.00 0.00 C ATOM 308 C ALA A 21 -7.917 8.842 -12.680 1.00 0.00 C ATOM 309 O ALA A 21 -6.918 9.435 -12.325 1.00 0.00 O ATOM 310 CB ALA A 21 -8.311 7.361 -10.669 1.00 0.00 C ATOM 0 H ALA A 21 -10.991 8.010 -12.120 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.294 9.248 -11.144 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.473 7.837 -10.160 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.055 7.053 -9.934 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.955 6.486 -11.213 1.00 0.00 H new ATOM 316 N SER A 22 -8.168 8.648 -13.954 1.00 0.00 N ATOM 317 CA SER A 22 -7.221 9.156 -14.983 1.00 0.00 C ATOM 318 C SER A 22 -7.375 10.675 -15.064 1.00 0.00 C ATOM 319 O SER A 22 -6.449 11.390 -15.397 1.00 0.00 O ATOM 320 CB SER A 22 -7.652 8.494 -16.295 1.00 0.00 C ATOM 321 OG SER A 22 -6.673 8.735 -17.294 1.00 0.00 O ATOM 0 H SER A 22 -8.986 8.161 -14.319 1.00 0.00 H new ATOM 0 HA SER A 22 -6.178 8.931 -14.760 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.780 7.422 -16.148 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.616 8.889 -16.614 1.00 0.00 H new ATOM 0 HG SER A 22 -6.950 8.309 -18.132 1.00 0.00 H new ATOM 327 N ASN A 23 -8.553 11.166 -14.747 1.00 0.00 N ATOM 328 CA ASN A 23 -8.792 12.644 -14.788 1.00 0.00 C ATOM 329 C ASN A 23 -8.167 13.350 -13.561 1.00 0.00 C ATOM 330 O ASN A 23 -7.892 14.535 -13.608 1.00 0.00 O ATOM 331 CB ASN A 23 -10.320 12.810 -14.814 1.00 0.00 C ATOM 332 CG ASN A 23 -10.890 12.815 -13.392 1.00 0.00 C ATOM 333 OD1 ASN A 23 -11.264 13.851 -12.880 1.00 0.00 O ATOM 334 ND2 ASN A 23 -10.974 11.695 -12.729 1.00 0.00 N ATOM 0 H ASN A 23 -9.357 10.606 -14.462 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.325 13.102 -15.660 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.581 13.740 -15.319 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.769 11.999 -15.388 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.353 11.690 -11.782 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.660 10.824 -13.157 1.00 0.00 H new ATOM 341 N ARG A 24 -7.932 12.643 -12.470 1.00 0.00 N ATOM 342 CA ARG A 24 -7.320 13.295 -11.271 1.00 0.00 C ATOM 343 C ARG A 24 -6.450 12.293 -10.474 1.00 0.00 C ATOM 344 O ARG A 24 -5.239 12.413 -10.458 1.00 0.00 O ATOM 345 CB ARG A 24 -8.494 13.853 -10.430 1.00 0.00 C ATOM 346 CG ARG A 24 -9.578 12.800 -10.175 1.00 0.00 C ATOM 347 CD ARG A 24 -10.903 13.501 -9.856 1.00 0.00 C ATOM 348 NE ARG A 24 -10.922 13.607 -8.365 1.00 0.00 N ATOM 349 CZ ARG A 24 -11.770 14.409 -7.776 1.00 0.00 C ATOM 350 NH1 ARG A 24 -12.993 14.010 -7.543 1.00 0.00 N ATOM 351 NH2 ARG A 24 -11.392 15.609 -7.417 1.00 0.00 N ATOM 0 H ARG A 24 -8.139 11.650 -12.365 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.645 14.101 -11.557 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.113 14.218 -9.476 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.934 14.707 -10.945 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.693 12.161 -11.051 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.286 12.155 -9.346 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.955 14.484 -10.324 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.754 12.928 -10.224 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.273 13.053 -7.807 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.285 13.073 -7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.655 14.636 -7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.437 15.918 -7.597 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.053 16.236 -6.957 1.00 0.00 H new ATOM 365 N ALA A 25 -7.043 11.306 -9.831 1.00 0.00 N ATOM 366 CA ALA A 25 -6.251 10.293 -9.049 1.00 0.00 C ATOM 367 C ALA A 25 -5.484 10.926 -7.870 1.00 0.00 C ATOM 368 O ALA A 25 -4.311 10.660 -7.675 1.00 0.00 O ATOM 369 CB ALA A 25 -5.272 9.687 -10.055 1.00 0.00 C ATOM 0 H ALA A 25 -8.052 11.159 -9.815 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.912 9.550 -8.602 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.657 8.937 -9.558 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.828 9.220 -10.868 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.632 10.472 -10.458 1.00 0.00 H new ATOM 375 N HIS A 26 -6.132 11.732 -7.062 1.00 0.00 N ATOM 376 CA HIS A 26 -5.422 12.339 -5.883 1.00 0.00 C ATOM 377 C HIS A 26 -6.422 12.940 -4.879 1.00 0.00 C ATOM 378 O HIS A 26 -6.503 12.497 -3.749 1.00 0.00 O ATOM 379 CB HIS A 26 -4.447 13.420 -6.418 1.00 0.00 C ATOM 380 CG HIS A 26 -4.901 14.055 -7.715 1.00 0.00 C ATOM 381 ND1 HIS A 26 -4.008 14.672 -8.582 1.00 0.00 N ATOM 382 CD2 HIS A 26 -6.135 14.208 -8.291 1.00 0.00 C ATOM 383 CE1 HIS A 26 -4.719 15.165 -9.613 1.00 0.00 C ATOM 384 NE2 HIS A 26 -6.016 14.916 -9.479 1.00 0.00 N ATOM 0 H HIS A 26 -7.112 11.996 -7.163 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.867 11.569 -5.347 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.330 14.198 -5.663 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.465 12.971 -6.567 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -2.998 14.739 -8.460 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.062 13.834 -7.882 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.287 15.698 -10.447 1.00 0.00 H new ATOM 392 N ALA A 27 -7.183 13.932 -5.272 1.00 0.00 N ATOM 393 CA ALA A 27 -8.175 14.546 -4.332 1.00 0.00 C ATOM 394 C ALA A 27 -9.350 13.586 -4.075 1.00 0.00 C ATOM 395 O ALA A 27 -10.062 13.721 -3.098 1.00 0.00 O ATOM 396 CB ALA A 27 -8.664 15.809 -5.043 1.00 0.00 C ATOM 0 H ALA A 27 -7.161 14.344 -6.205 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.733 14.764 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.397 16.318 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.819 16.473 -5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.125 15.537 -5.993 1.00 0.00 H new ATOM 402 N LYS A 28 -9.555 12.620 -4.944 1.00 0.00 N ATOM 403 CA LYS A 28 -10.680 11.649 -4.753 1.00 0.00 C ATOM 404 C LYS A 28 -10.460 10.832 -3.470 1.00 0.00 C ATOM 405 O LYS A 28 -11.222 10.932 -2.526 1.00 0.00 O ATOM 406 CB LYS A 28 -10.639 10.761 -6.003 1.00 0.00 C ATOM 407 CG LYS A 28 -11.346 9.422 -5.749 1.00 0.00 C ATOM 408 CD LYS A 28 -10.353 8.266 -5.920 1.00 0.00 C ATOM 409 CE LYS A 28 -9.667 8.360 -7.289 1.00 0.00 C ATOM 410 NZ LYS A 28 -8.664 7.257 -7.272 1.00 0.00 N ATOM 0 H LYS A 28 -8.989 12.464 -5.778 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.649 12.136 -4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.117 11.277 -6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.604 10.581 -6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.765 9.407 -4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.179 9.303 -6.442 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.606 8.298 -5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.873 7.313 -5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.382 8.236 -8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.190 9.330 -7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.944 7.432 -8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.208 7.216 -6.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.140 6.352 -7.465 1.00 0.00 H new ATOM 424 N LYS A 29 -9.422 10.031 -3.428 1.00 0.00 N ATOM 425 CA LYS A 29 -9.149 9.213 -2.204 1.00 0.00 C ATOM 426 C LYS A 29 -8.479 10.074 -1.121 1.00 0.00 C ATOM 427 O LYS A 29 -8.617 9.790 0.046 1.00 0.00 O ATOM 428 CB LYS A 29 -8.229 8.066 -2.658 1.00 0.00 C ATOM 429 CG LYS A 29 -6.781 8.549 -2.815 1.00 0.00 C ATOM 430 CD LYS A 29 -6.592 9.150 -4.208 1.00 0.00 C ATOM 431 CE LYS A 29 -5.200 8.807 -4.742 1.00 0.00 C ATOM 432 NZ LYS A 29 -5.291 7.368 -5.134 1.00 0.00 N ATOM 0 H LYS A 29 -8.753 9.908 -4.188 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.067 8.824 -1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.268 7.255 -1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.586 7.663 -3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.550 9.292 -2.052 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.091 7.718 -2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.355 8.766 -4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.718 10.232 -4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.937 9.434 -5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.434 8.963 -3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.589 6.818 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.244 7.010 -4.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.103 7.273 -6.153 1.00 0.00 H new ATOM 446 N SER A 30 -7.770 11.119 -1.524 1.00 0.00 N ATOM 447 CA SER A 30 -7.068 12.064 -0.573 1.00 0.00 C ATOM 448 C SER A 30 -6.630 11.405 0.756 1.00 0.00 C ATOM 449 O SER A 30 -6.633 12.037 1.796 1.00 0.00 O ATOM 450 CB SER A 30 -8.083 13.181 -0.316 1.00 0.00 C ATOM 451 OG SER A 30 -7.554 14.415 -0.777 1.00 0.00 O ATOM 0 H SER A 30 -7.646 11.362 -2.507 1.00 0.00 H new ATOM 0 HA SER A 30 -6.136 12.418 -1.013 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.020 12.961 -0.828 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.308 13.245 0.749 1.00 0.00 H new ATOM 0 HG SER A 30 -8.204 15.131 -0.615 1.00 0.00 H new ATOM 457 N ALA A 31 -6.232 10.159 0.716 1.00 0.00 N ATOM 458 CA ALA A 31 -5.767 9.439 1.946 1.00 0.00 C ATOM 459 C ALA A 31 -6.669 9.676 3.181 1.00 0.00 C ATOM 460 O ALA A 31 -6.181 9.995 4.250 1.00 0.00 O ATOM 461 CB ALA A 31 -4.354 9.975 2.202 1.00 0.00 C ATOM 0 H ALA A 31 -6.209 9.597 -0.135 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.799 8.361 1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.939 9.497 3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.721 9.756 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.396 11.053 2.357 1.00 0.00 H new ATOM 467 N TYR A 32 -7.964 9.477 3.068 1.00 0.00 N ATOM 468 CA TYR A 32 -8.855 9.646 4.268 1.00 0.00 C ATOM 469 C TYR A 32 -10.050 8.697 4.156 1.00 0.00 C ATOM 470 O TYR A 32 -11.162 9.039 4.512 1.00 0.00 O ATOM 471 CB TYR A 32 -9.316 11.120 4.293 1.00 0.00 C ATOM 472 CG TYR A 32 -10.206 11.463 3.118 1.00 0.00 C ATOM 473 CD1 TYR A 32 -9.711 11.404 1.819 1.00 0.00 C ATOM 474 CD2 TYR A 32 -11.530 11.847 3.341 1.00 0.00 C ATOM 475 CE1 TYR A 32 -10.534 11.723 0.735 1.00 0.00 C ATOM 476 CE2 TYR A 32 -12.358 12.169 2.255 1.00 0.00 C ATOM 477 CZ TYR A 32 -11.859 12.105 0.952 1.00 0.00 C ATOM 478 OH TYR A 32 -12.672 12.419 -0.117 1.00 0.00 O ATOM 0 H TYR A 32 -8.440 9.208 2.207 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.329 9.406 5.192 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.853 11.315 5.222 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.442 11.772 4.287 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.686 11.110 1.647 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.916 11.896 4.348 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.144 11.674 -0.271 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.382 12.467 2.427 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.307 12.020 -0.934 1.00 0.00 H new ATOM 488 N HIS A 33 -9.818 7.501 3.650 1.00 0.00 N ATOM 489 CA HIS A 33 -10.923 6.503 3.482 1.00 0.00 C ATOM 490 C HIS A 33 -12.072 7.111 2.661 1.00 0.00 C ATOM 491 O HIS A 33 -13.182 6.619 2.683 1.00 0.00 O ATOM 492 CB HIS A 33 -11.386 6.158 4.905 1.00 0.00 C ATOM 493 CG HIS A 33 -10.282 5.449 5.642 1.00 0.00 C ATOM 494 ND1 HIS A 33 -10.115 4.075 5.581 1.00 0.00 N ATOM 495 CD2 HIS A 33 -9.281 5.913 6.459 1.00 0.00 C ATOM 496 CE1 HIS A 33 -9.049 3.762 6.342 1.00 0.00 C ATOM 497 NE2 HIS A 33 -8.504 4.846 6.900 1.00 0.00 N ATOM 0 H HIS A 33 -8.901 7.175 3.345 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.592 5.614 2.946 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -11.665 7.067 5.437 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -12.274 5.526 4.866 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.121 6.949 6.720 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -8.680 2.757 6.484 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -7.693 4.884 7.517 1.00 0.00 H new ATOM 505 N SER A 34 -11.798 8.177 1.934 1.00 0.00 N ATOM 506 CA SER A 34 -12.839 8.848 1.101 1.00 0.00 C ATOM 507 C SER A 34 -14.048 9.284 1.969 1.00 0.00 C ATOM 508 O SER A 34 -13.880 9.985 2.946 1.00 0.00 O ATOM 509 CB SER A 34 -13.231 7.810 0.046 1.00 0.00 C ATOM 510 OG SER A 34 -13.945 8.442 -1.007 1.00 0.00 O ATOM 0 H SER A 34 -10.877 8.612 1.887 1.00 0.00 H new ATOM 0 HA SER A 34 -12.473 9.764 0.637 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.339 7.323 -0.348 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.845 7.032 0.499 1.00 0.00 H new ATOM 0 HG SER A 34 -14.193 7.775 -1.681 1.00 0.00 H new ATOM 516 N GLN A 35 -15.256 8.874 1.610 1.00 0.00 N ATOM 517 CA GLN A 35 -16.502 9.241 2.387 1.00 0.00 C ATOM 518 C GLN A 35 -16.985 10.667 2.081 1.00 0.00 C ATOM 519 O GLN A 35 -18.121 10.994 2.360 1.00 0.00 O ATOM 520 CB GLN A 35 -16.171 9.098 3.871 1.00 0.00 C ATOM 521 CG GLN A 35 -15.644 7.693 4.138 1.00 0.00 C ATOM 522 CD GLN A 35 -14.789 7.715 5.388 1.00 0.00 C ATOM 523 OE1 GLN A 35 -15.198 7.248 6.429 1.00 0.00 O ATOM 524 NE2 GLN A 35 -13.608 8.252 5.325 1.00 0.00 N ATOM 0 H GLN A 35 -15.433 8.288 0.794 1.00 0.00 H new ATOM 0 HA GLN A 35 -17.316 8.577 2.096 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.427 9.839 4.162 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -17.060 9.286 4.473 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.474 6.997 4.262 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.059 7.343 3.288 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.272 8.643 4.445 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.017 8.283 6.156 1.00 0.00 H new ATOM 533 N VAL A 36 -16.147 11.510 1.512 1.00 0.00 N ATOM 534 CA VAL A 36 -16.560 12.918 1.179 1.00 0.00 C ATOM 535 C VAL A 36 -17.228 13.612 2.379 1.00 0.00 C ATOM 536 O VAL A 36 -17.096 13.181 3.508 1.00 0.00 O ATOM 537 CB VAL A 36 -17.533 12.793 -0.006 1.00 0.00 C ATOM 538 CG1 VAL A 36 -16.735 12.407 -1.256 1.00 0.00 C ATOM 539 CG2 VAL A 36 -18.796 11.930 0.003 1.00 0.00 C ATOM 0 H VAL A 36 -15.185 11.280 1.262 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.697 13.535 0.928 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.976 13.787 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -17.412 12.314 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.992 13.177 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -16.232 11.455 -1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.304 12.019 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.524 10.889 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -19.461 12.267 0.798 1.00 0.00 H new ATOM 549 N ALA A 37 -17.936 14.693 2.141 1.00 0.00 N ATOM 550 CA ALA A 37 -18.611 15.414 3.265 1.00 0.00 C ATOM 551 C ALA A 37 -19.947 14.732 3.574 1.00 0.00 C ATOM 552 O ALA A 37 -20.987 15.121 3.074 1.00 0.00 O ATOM 553 CB ALA A 37 -18.832 16.843 2.759 1.00 0.00 C ATOM 0 H ALA A 37 -18.074 15.105 1.218 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.022 15.408 4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -19.324 17.431 3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.871 17.296 2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -19.458 16.820 1.867 1.00 0.00 H new ATOM 559 N PHE A 38 -19.919 13.699 4.376 1.00 0.00 N ATOM 560 CA PHE A 38 -21.181 12.969 4.700 1.00 0.00 C ATOM 561 C PHE A 38 -21.797 13.452 6.033 1.00 0.00 C ATOM 562 O PHE A 38 -21.820 14.633 6.313 1.00 0.00 O ATOM 563 CB PHE A 38 -20.793 11.476 4.714 1.00 0.00 C ATOM 564 CG PHE A 38 -19.714 11.154 5.724 1.00 0.00 C ATOM 565 CD1 PHE A 38 -18.368 11.227 5.360 1.00 0.00 C ATOM 566 CD2 PHE A 38 -20.063 10.756 7.013 1.00 0.00 C ATOM 567 CE1 PHE A 38 -17.377 10.909 6.285 1.00 0.00 C ATOM 568 CE2 PHE A 38 -19.075 10.435 7.936 1.00 0.00 C ATOM 569 CZ PHE A 38 -17.730 10.511 7.575 1.00 0.00 C ATOM 0 H PHE A 38 -19.078 13.330 4.820 1.00 0.00 H new ATOM 0 HA PHE A 38 -21.964 13.156 3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -21.678 10.879 4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -20.451 11.186 3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -18.095 11.530 4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -21.104 10.697 7.295 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -16.336 10.970 6.004 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -19.349 10.126 8.934 1.00 0.00 H new ATOM 0 HZ PHE A 38 -16.963 10.262 8.293 1.00 0.00 H new ATOM 579 N ILE A 39 -22.342 12.558 6.828 1.00 0.00 N ATOM 580 CA ILE A 39 -23.010 12.972 8.114 1.00 0.00 C ATOM 581 C ILE A 39 -22.066 13.748 9.056 1.00 0.00 C ATOM 582 O ILE A 39 -22.523 14.549 9.851 1.00 0.00 O ATOM 583 CB ILE A 39 -23.477 11.665 8.787 1.00 0.00 C ATOM 584 CG1 ILE A 39 -22.267 10.846 9.249 1.00 0.00 C ATOM 585 CG2 ILE A 39 -24.308 10.829 7.804 1.00 0.00 C ATOM 586 CD1 ILE A 39 -22.434 10.470 10.721 1.00 0.00 C ATOM 0 H ILE A 39 -22.354 11.555 6.643 1.00 0.00 H new ATOM 0 HA ILE A 39 -23.836 13.651 7.902 1.00 0.00 H new ATOM 0 HB ILE A 39 -24.090 11.923 9.650 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -22.171 9.946 8.642 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -21.352 11.422 9.112 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -24.631 9.909 8.291 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -25.182 11.400 7.489 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -23.702 10.584 6.932 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -21.573 9.888 11.048 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -22.508 11.376 11.322 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -23.341 9.877 10.845 1.00 0.00 H new ATOM 598 N THR A 40 -20.773 13.530 8.993 1.00 0.00 N ATOM 599 CA THR A 40 -19.854 14.275 9.908 1.00 0.00 C ATOM 600 C THR A 40 -18.711 14.924 9.128 1.00 0.00 C ATOM 601 O THR A 40 -18.268 14.416 8.114 1.00 0.00 O ATOM 602 CB THR A 40 -19.292 13.225 10.872 1.00 0.00 C ATOM 603 OG1 THR A 40 -20.356 12.623 11.596 1.00 0.00 O ATOM 604 CG2 THR A 40 -18.323 13.895 11.848 1.00 0.00 C ATOM 0 H THR A 40 -20.320 12.876 8.355 1.00 0.00 H new ATOM 0 HA THR A 40 -20.381 15.075 10.428 1.00 0.00 H new ATOM 0 HB THR A 40 -18.764 12.459 10.304 1.00 0.00 H new ATOM 0 HG1 THR A 40 -20.014 11.858 12.104 1.00 0.00 H new ATOM 0 HG21 THR A 40 -17.923 13.148 12.534 1.00 0.00 H new ATOM 0 HG22 THR A 40 -17.505 14.352 11.292 1.00 0.00 H new ATOM 0 HG23 THR A 40 -18.850 14.663 12.415 1.00 0.00 H new ATOM 612 N LYS A 41 -18.220 16.035 9.616 1.00 0.00 N ATOM 613 CA LYS A 41 -17.085 16.718 8.933 1.00 0.00 C ATOM 614 C LYS A 41 -15.798 15.922 9.153 1.00 0.00 C ATOM 615 O LYS A 41 -15.759 14.995 9.943 1.00 0.00 O ATOM 616 CB LYS A 41 -17.000 18.105 9.572 1.00 0.00 C ATOM 617 CG LYS A 41 -18.167 18.961 9.068 1.00 0.00 C ATOM 618 CD LYS A 41 -17.789 19.617 7.734 1.00 0.00 C ATOM 619 CE LYS A 41 -18.000 18.619 6.585 1.00 0.00 C ATOM 620 NZ LYS A 41 -16.637 18.411 6.015 1.00 0.00 N ATOM 0 H LYS A 41 -18.558 16.498 10.460 1.00 0.00 H new ATOM 0 HA LYS A 41 -17.228 16.794 7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -17.036 18.022 10.658 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.051 18.578 9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.056 18.343 8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -18.413 19.727 9.804 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -18.397 20.507 7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.749 19.941 7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.426 17.683 6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.687 19.015 5.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.653 17.599 5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.344 19.263 5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.963 18.225 6.785 1.00 0.00 H new ATOM 634 N GLY A 42 -14.753 16.252 8.442 1.00 0.00 N ATOM 635 CA GLY A 42 -13.483 15.490 8.589 1.00 0.00 C ATOM 636 C GLY A 42 -13.443 14.389 7.520 1.00 0.00 C ATOM 637 O GLY A 42 -12.388 13.923 7.150 1.00 0.00 O ATOM 0 H GLY A 42 -14.726 17.016 7.767 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.628 16.156 8.477 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.418 15.052 9.585 1.00 0.00 H new ATOM 641 N LEU A 43 -14.589 13.990 7.006 1.00 0.00 N ATOM 642 CA LEU A 43 -14.640 12.939 5.941 1.00 0.00 C ATOM 643 C LEU A 43 -14.194 11.577 6.477 1.00 0.00 C ATOM 644 O LEU A 43 -13.408 10.883 5.860 1.00 0.00 O ATOM 645 CB LEU A 43 -13.692 13.419 4.842 1.00 0.00 C ATOM 646 CG LEU A 43 -14.253 14.674 4.183 1.00 0.00 C ATOM 647 CD1 LEU A 43 -14.516 15.901 5.057 1.00 0.00 C ATOM 648 CD2 LEU A 43 -13.126 15.096 3.240 1.00 0.00 C ATOM 0 H LEU A 43 -15.499 14.355 7.286 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.657 12.804 5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.709 13.628 5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.559 12.635 4.097 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.229 14.407 3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.913 16.708 4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -15.239 15.647 5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.584 16.224 5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.419 15.999 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.223 15.293 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.932 14.297 2.524 1.00 0.00 H new ATOM 660 N GLY A 44 -14.705 11.183 7.613 1.00 0.00 N ATOM 661 CA GLY A 44 -14.334 9.854 8.188 1.00 0.00 C ATOM 662 C GLY A 44 -12.872 9.828 8.644 1.00 0.00 C ATOM 663 O GLY A 44 -12.354 8.783 8.990 1.00 0.00 O ATOM 0 H GLY A 44 -15.365 11.725 8.170 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.984 9.628 9.033 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.498 9.075 7.443 1.00 0.00 H new ATOM 667 N ILE A 45 -12.194 10.951 8.645 1.00 0.00 N ATOM 668 CA ILE A 45 -10.759 10.948 9.089 1.00 0.00 C ATOM 669 C ILE A 45 -10.617 10.312 10.486 1.00 0.00 C ATOM 670 O ILE A 45 -9.887 9.353 10.652 1.00 0.00 O ATOM 671 CB ILE A 45 -10.294 12.414 9.111 1.00 0.00 C ATOM 672 CG1 ILE A 45 -11.369 13.320 9.735 1.00 0.00 C ATOM 673 CG2 ILE A 45 -9.985 12.867 7.681 1.00 0.00 C ATOM 674 CD1 ILE A 45 -10.845 13.906 11.049 1.00 0.00 C ATOM 0 H ILE A 45 -12.563 11.859 8.362 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.147 10.357 8.408 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.394 12.491 9.721 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.628 14.123 9.045 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.280 12.749 9.917 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.655 13.906 7.692 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.197 12.240 7.263 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.883 12.778 7.069 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -11.607 14.548 11.491 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -10.608 13.097 11.739 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.946 14.491 10.854 1.00 0.00 H new ATOM 686 N SER A 46 -11.309 10.826 11.489 1.00 0.00 N ATOM 687 CA SER A 46 -11.199 10.231 12.867 1.00 0.00 C ATOM 688 C SER A 46 -12.103 10.963 13.882 1.00 0.00 C ATOM 689 O SER A 46 -11.752 11.092 15.041 1.00 0.00 O ATOM 690 CB SER A 46 -9.726 10.402 13.260 1.00 0.00 C ATOM 691 OG SER A 46 -9.366 9.401 14.202 1.00 0.00 O ATOM 0 H SER A 46 -11.939 11.625 11.411 1.00 0.00 H new ATOM 0 HA SER A 46 -11.519 9.189 12.869 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.092 10.329 12.376 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.565 11.392 13.687 1.00 0.00 H new ATOM 0 HG SER A 46 -8.425 9.510 14.451 1.00 0.00 H new ATOM 697 N TYR A 47 -13.260 11.433 13.474 1.00 0.00 N ATOM 698 CA TYR A 47 -14.166 12.142 14.441 1.00 0.00 C ATOM 699 C TYR A 47 -14.950 11.134 15.306 1.00 0.00 C ATOM 700 O TYR A 47 -15.464 11.479 16.352 1.00 0.00 O ATOM 701 CB TYR A 47 -15.132 12.959 13.567 1.00 0.00 C ATOM 702 CG TYR A 47 -15.989 12.027 12.739 1.00 0.00 C ATOM 703 CD1 TYR A 47 -17.103 11.399 13.311 1.00 0.00 C ATOM 704 CD2 TYR A 47 -15.657 11.779 11.406 1.00 0.00 C ATOM 705 CE1 TYR A 47 -17.878 10.524 12.549 1.00 0.00 C ATOM 706 CE2 TYR A 47 -16.431 10.911 10.645 1.00 0.00 C ATOM 707 CZ TYR A 47 -17.544 10.278 11.215 1.00 0.00 C ATOM 708 OH TYR A 47 -18.304 9.401 10.469 1.00 0.00 O ATOM 0 H TYR A 47 -13.615 11.358 12.521 1.00 0.00 H new ATOM 0 HA TYR A 47 -13.601 12.770 15.130 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -15.764 13.586 14.196 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.570 13.627 12.914 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -17.362 11.592 14.342 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -14.798 12.262 10.965 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -18.735 10.037 12.990 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -16.174 10.724 9.613 1.00 0.00 H new ATOM 0 HH TYR A 47 -18.126 9.543 9.516 1.00 0.00 H new ATOM 718 N GLY A 48 -15.068 9.905 14.858 1.00 0.00 N ATOM 719 CA GLY A 48 -15.843 8.881 15.623 1.00 0.00 C ATOM 720 C GLY A 48 -16.953 8.364 14.703 1.00 0.00 C ATOM 721 O GLY A 48 -18.125 8.601 14.927 1.00 0.00 O ATOM 0 H GLY A 48 -14.656 9.568 13.988 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.193 8.064 15.937 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.267 9.317 16.528 1.00 0.00 H new ATOM 725 N ARG A 49 -16.573 7.685 13.649 1.00 0.00 N ATOM 726 CA ARG A 49 -17.571 7.163 12.660 1.00 0.00 C ATOM 727 C ARG A 49 -18.408 6.024 13.254 1.00 0.00 C ATOM 728 O ARG A 49 -18.046 5.423 14.249 1.00 0.00 O ATOM 729 CB ARG A 49 -16.732 6.650 11.492 1.00 0.00 C ATOM 730 CG ARG A 49 -15.771 7.743 11.015 1.00 0.00 C ATOM 731 CD ARG A 49 -14.564 7.085 10.357 1.00 0.00 C ATOM 732 NE ARG A 49 -15.135 6.486 9.121 1.00 0.00 N ATOM 733 CZ ARG A 49 -14.522 5.494 8.529 1.00 0.00 C ATOM 734 NH1 ARG A 49 -13.343 5.679 7.993 1.00 0.00 N ATOM 735 NH2 ARG A 49 -15.091 4.318 8.471 1.00 0.00 N ATOM 0 H ARG A 49 -15.602 7.467 13.428 1.00 0.00 H new ATOM 0 HA ARG A 49 -18.279 7.936 12.361 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -16.169 5.768 11.798 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -17.383 6.344 10.673 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.272 8.404 10.308 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.453 8.359 11.856 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.784 7.811 10.129 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.117 6.328 11.002 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.006 6.850 8.735 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.901 6.597 8.037 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.865 4.905 7.531 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.011 4.176 8.887 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.614 3.543 8.010 1.00 0.00 H new ATOM 749 N LYS A 50 -19.527 5.726 12.638 1.00 0.00 N ATOM 750 CA LYS A 50 -20.406 4.627 13.144 1.00 0.00 C ATOM 751 C LYS A 50 -20.719 3.598 12.038 1.00 0.00 C ATOM 752 O LYS A 50 -21.402 2.623 12.287 1.00 0.00 O ATOM 753 CB LYS A 50 -21.690 5.319 13.625 1.00 0.00 C ATOM 754 CG LYS A 50 -22.308 6.159 12.498 1.00 0.00 C ATOM 755 CD LYS A 50 -21.971 7.641 12.707 1.00 0.00 C ATOM 756 CE LYS A 50 -22.533 8.120 14.049 1.00 0.00 C ATOM 757 NZ LYS A 50 -22.773 9.579 13.852 1.00 0.00 N ATOM 0 H LYS A 50 -19.870 6.200 11.802 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.920 4.068 13.944 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -22.407 4.571 13.963 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -21.467 5.957 14.480 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -21.929 5.823 11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -23.389 6.022 12.481 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.891 7.784 12.684 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -22.389 8.236 11.895 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -23.455 7.597 14.303 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -21.829 7.939 14.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -23.128 9.995 14.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.882 10.044 13.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -23.476 9.716 13.098 1.00 0.00 H new ATOM 771 N LYS A 51 -20.216 3.804 10.830 1.00 0.00 N ATOM 772 CA LYS A 51 -20.457 2.843 9.686 1.00 0.00 C ATOM 773 C LYS A 51 -21.909 2.888 9.177 1.00 0.00 C ATOM 774 O LYS A 51 -22.142 2.984 7.986 1.00 0.00 O ATOM 775 CB LYS A 51 -20.127 1.440 10.216 1.00 0.00 C ATOM 776 CG LYS A 51 -18.669 1.389 10.691 1.00 0.00 C ATOM 777 CD LYS A 51 -17.804 0.695 9.635 1.00 0.00 C ATOM 778 CE LYS A 51 -17.587 1.637 8.445 1.00 0.00 C ATOM 779 NZ LYS A 51 -16.316 1.160 7.823 1.00 0.00 N ATOM 0 H LYS A 51 -19.640 4.610 10.586 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.830 3.118 8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.795 1.186 11.039 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.289 0.699 9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.300 2.399 10.871 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.604 0.853 11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.844 0.411 10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.287 -0.223 9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.418 1.586 7.741 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.506 2.675 8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.090 1.751 6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.544 1.225 8.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.427 0.171 7.521 1.00 0.00 H new ATOM 793 N ARG A 52 -22.884 2.805 10.053 1.00 0.00 N ATOM 794 CA ARG A 52 -24.313 2.827 9.596 1.00 0.00 C ATOM 795 C ARG A 52 -24.801 4.272 9.399 1.00 0.00 C ATOM 796 O ARG A 52 -25.982 4.517 9.233 1.00 0.00 O ATOM 797 CB ARG A 52 -25.126 2.134 10.702 1.00 0.00 C ATOM 798 CG ARG A 52 -24.378 0.915 11.277 1.00 0.00 C ATOM 799 CD ARG A 52 -23.708 0.086 10.167 1.00 0.00 C ATOM 800 NE ARG A 52 -24.794 -0.206 9.189 1.00 0.00 N ATOM 801 CZ ARG A 52 -25.648 -1.171 9.422 1.00 0.00 C ATOM 802 NH1 ARG A 52 -25.287 -2.417 9.254 1.00 0.00 N ATOM 803 NH2 ARG A 52 -26.861 -0.888 9.822 1.00 0.00 N ATOM 0 H ARG A 52 -22.753 2.723 11.061 1.00 0.00 H new ATOM 0 HA ARG A 52 -24.427 2.320 8.638 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -25.333 2.845 11.502 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -26.088 1.815 10.302 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -23.622 1.253 11.986 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -25.076 0.287 11.830 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -22.894 0.640 9.698 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -23.280 -0.833 10.566 1.00 0.00 H new ATOM 0 HE ARG A 52 -24.872 0.347 8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -24.341 -2.636 8.942 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -25.951 -3.169 9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -27.141 0.084 9.952 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -27.526 -1.639 10.004 1.00 0.00 H new ATOM 817 N ARG A 53 -23.898 5.224 9.401 1.00 0.00 N ATOM 818 CA ARG A 53 -24.290 6.654 9.196 1.00 0.00 C ATOM 819 C ARG A 53 -24.941 6.851 7.818 1.00 0.00 C ATOM 820 O ARG A 53 -25.610 7.839 7.580 1.00 0.00 O ATOM 821 CB ARG A 53 -22.976 7.438 9.277 1.00 0.00 C ATOM 822 CG ARG A 53 -21.944 6.830 8.318 1.00 0.00 C ATOM 823 CD ARG A 53 -21.262 7.934 7.511 1.00 0.00 C ATOM 824 NE ARG A 53 -20.565 7.202 6.413 1.00 0.00 N ATOM 825 CZ ARG A 53 -19.416 6.618 6.639 1.00 0.00 C ATOM 826 NH1 ARG A 53 -19.385 5.378 7.058 1.00 0.00 N ATOM 827 NH2 ARG A 53 -18.301 7.273 6.443 1.00 0.00 N ATOM 0 H ARG A 53 -22.899 5.070 9.537 1.00 0.00 H new ATOM 0 HA ARG A 53 -25.019 6.984 9.936 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -23.150 8.483 9.022 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -22.593 7.418 10.297 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -21.199 6.268 8.882 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -22.433 6.126 7.645 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -21.987 8.647 7.118 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -20.559 8.499 8.123 1.00 0.00 H new ATOM 0 HE ARG A 53 -20.985 7.157 5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -20.256 4.868 7.208 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -18.490 4.922 7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -18.328 8.238 6.114 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.405 6.819 6.619 1.00 0.00 H new ATOM 841 N GLN A 54 -24.752 5.919 6.910 1.00 0.00 N ATOM 842 CA GLN A 54 -25.363 6.055 5.552 1.00 0.00 C ATOM 843 C GLN A 54 -26.849 5.679 5.607 1.00 0.00 C ATOM 844 O GLN A 54 -27.668 6.278 4.937 1.00 0.00 O ATOM 845 CB GLN A 54 -24.597 5.074 4.655 1.00 0.00 C ATOM 846 CG GLN A 54 -23.089 5.344 4.747 1.00 0.00 C ATOM 847 CD GLN A 54 -22.322 4.255 3.990 1.00 0.00 C ATOM 848 OE1 GLN A 54 -21.662 4.534 3.011 1.00 0.00 O ATOM 849 NE2 GLN A 54 -22.376 3.018 4.410 1.00 0.00 N ATOM 0 H GLN A 54 -24.201 5.072 7.053 1.00 0.00 H new ATOM 0 HA GLN A 54 -25.299 7.076 5.176 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -24.810 4.049 4.958 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -24.931 5.177 3.622 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -22.859 6.323 4.327 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -22.776 5.364 5.791 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -22.931 2.783 5.233 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.863 2.288 3.915 1.00 0.00 H new ATOM 858 N ARG A 55 -27.197 4.689 6.406 1.00 0.00 N ATOM 859 CA ARG A 55 -28.631 4.253 6.520 1.00 0.00 C ATOM 860 C ARG A 55 -29.208 3.877 5.142 1.00 0.00 C ATOM 861 O ARG A 55 -30.405 3.932 4.927 1.00 0.00 O ATOM 862 CB ARG A 55 -29.376 5.454 7.115 1.00 0.00 C ATOM 863 CG ARG A 55 -29.061 5.562 8.610 1.00 0.00 C ATOM 864 CD ARG A 55 -29.977 6.607 9.254 1.00 0.00 C ATOM 865 NE ARG A 55 -31.272 5.893 9.460 1.00 0.00 N ATOM 866 CZ ARG A 55 -32.321 6.550 9.879 1.00 0.00 C ATOM 867 NH1 ARG A 55 -32.902 7.422 9.094 1.00 0.00 N ATOM 868 NH2 ARG A 55 -32.789 6.335 11.081 1.00 0.00 N ATOM 0 H ARG A 55 -26.544 4.163 6.986 1.00 0.00 H new ATOM 0 HA ARG A 55 -28.731 3.365 7.144 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -29.079 6.369 6.603 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -30.450 5.339 6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -29.201 4.595 9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -28.017 5.841 8.753 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -29.567 6.966 10.198 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -30.102 7.477 8.609 1.00 0.00 H new ATOM 0 HE ARG A 55 -31.338 4.892 9.274 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -32.536 7.588 8.157 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -33.721 7.935 9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -32.335 5.655 11.691 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -33.608 6.847 11.409 1.00 0.00 H new ATOM 882 N ARG A 56 -28.364 3.486 4.215 1.00 0.00 N ATOM 883 CA ARG A 56 -28.848 3.094 2.855 1.00 0.00 C ATOM 884 C ARG A 56 -27.781 2.239 2.149 1.00 0.00 C ATOM 885 O ARG A 56 -27.523 2.390 0.968 1.00 0.00 O ATOM 886 CB ARG A 56 -29.090 4.417 2.111 1.00 0.00 C ATOM 887 CG ARG A 56 -27.758 5.039 1.676 1.00 0.00 C ATOM 888 CD ARG A 56 -27.802 6.550 1.898 1.00 0.00 C ATOM 889 NE ARG A 56 -28.606 7.071 0.754 1.00 0.00 N ATOM 890 CZ ARG A 56 -28.020 7.387 -0.372 1.00 0.00 C ATOM 891 NH1 ARG A 56 -27.176 8.387 -0.414 1.00 0.00 N ATOM 892 NH2 ARG A 56 -28.281 6.703 -1.456 1.00 0.00 N ATOM 0 H ARG A 56 -27.354 3.422 4.345 1.00 0.00 H new ATOM 0 HA ARG A 56 -29.757 2.494 2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -29.718 4.241 1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -29.629 5.111 2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -26.938 4.601 2.245 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -27.569 4.821 0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -28.264 6.798 2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -26.800 6.979 1.908 1.00 0.00 H new ATOM 0 HE ARG A 56 -29.615 7.181 0.850 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -26.975 8.920 0.432 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -26.720 8.633 -1.293 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -28.940 5.925 -1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -27.825 6.947 -2.335 1.00 0.00 H new ATOM 906 N ARG A 57 -27.161 1.340 2.876 1.00 0.00 N ATOM 907 CA ARG A 57 -26.103 0.466 2.278 1.00 0.00 C ATOM 908 C ARG A 57 -26.632 -0.296 1.047 1.00 0.00 C ATOM 909 O ARG A 57 -25.974 -0.323 0.025 1.00 0.00 O ATOM 910 CB ARG A 57 -25.711 -0.504 3.398 1.00 0.00 C ATOM 911 CG ARG A 57 -24.424 -1.241 3.020 1.00 0.00 C ATOM 912 CD ARG A 57 -23.218 -0.452 3.531 1.00 0.00 C ATOM 913 NE ARG A 57 -22.043 -1.282 3.133 1.00 0.00 N ATOM 914 CZ ARG A 57 -21.118 -1.578 4.008 1.00 0.00 C ATOM 915 NH1 ARG A 57 -20.340 -0.638 4.483 1.00 0.00 N ATOM 916 NH2 ARG A 57 -20.968 -2.816 4.404 1.00 0.00 N ATOM 0 H ARG A 57 -27.344 1.174 3.865 1.00 0.00 H new ATOM 0 HA ARG A 57 -25.252 1.048 1.923 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -25.568 0.042 4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -26.514 -1.221 3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -24.426 -2.243 3.450 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -24.364 -1.359 1.938 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -23.174 0.541 3.084 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -23.261 -0.314 4.611 1.00 0.00 H new ATOM 0 HE ARG A 57 -21.961 -1.620 2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -20.455 0.326 4.170 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -19.618 -0.870 5.166 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -21.572 -3.548 4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -20.247 -3.049 5.087 1.00 0.00 H new ATOM 930 N PRO A 58 -27.803 -0.894 1.174 1.00 0.00 N ATOM 931 CA PRO A 58 -28.386 -1.651 0.041 1.00 0.00 C ATOM 932 C PRO A 58 -29.157 -0.726 -0.923 1.00 0.00 C ATOM 933 O PRO A 58 -29.881 -1.198 -1.781 1.00 0.00 O ATOM 934 CB PRO A 58 -29.345 -2.621 0.723 1.00 0.00 C ATOM 935 CG PRO A 58 -29.720 -1.965 2.021 1.00 0.00 C ATOM 936 CD PRO A 58 -28.673 -0.929 2.358 1.00 0.00 C ATOM 0 HA PRO A 58 -27.625 -2.142 -0.566 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -30.225 -2.802 0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -28.871 -3.587 0.894 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -30.702 -1.498 1.939 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -29.786 -2.708 2.815 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -29.124 0.045 2.549 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -28.115 -1.204 3.253 1.00 0.00 H new ATOM 944 N SER A 59 -29.023 0.577 -0.793 1.00 0.00 N ATOM 945 CA SER A 59 -29.767 1.496 -1.704 1.00 0.00 C ATOM 946 C SER A 59 -28.800 2.341 -2.542 1.00 0.00 C ATOM 947 O SER A 59 -27.910 2.982 -2.017 1.00 0.00 O ATOM 948 CB SER A 59 -30.598 2.388 -0.779 1.00 0.00 C ATOM 949 OG SER A 59 -31.679 1.639 -0.240 1.00 0.00 O ATOM 0 H SER A 59 -28.433 1.036 -0.099 1.00 0.00 H new ATOM 0 HA SER A 59 -30.388 0.947 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 59 -29.974 2.776 0.026 1.00 0.00 H new ATOM 0 HB3 SER A 59 -30.977 3.248 -1.331 1.00 0.00 H new ATOM 0 HG SER A 59 -32.209 2.211 0.353 1.00 0.00 H new ATOM 955 N GLN A 60 -28.985 2.351 -3.841 1.00 0.00 N ATOM 956 CA GLN A 60 -28.101 3.158 -4.734 1.00 0.00 C ATOM 957 C GLN A 60 -28.961 3.942 -5.740 1.00 0.00 C ATOM 958 O GLN A 60 -29.274 5.099 -5.532 1.00 0.00 O ATOM 959 CB GLN A 60 -27.211 2.144 -5.465 1.00 0.00 C ATOM 960 CG GLN A 60 -26.131 1.613 -4.524 1.00 0.00 C ATOM 961 CD GLN A 60 -25.738 0.194 -4.947 1.00 0.00 C ATOM 962 OE1 GLN A 60 -25.051 0.010 -5.932 1.00 0.00 O ATOM 963 NE2 GLN A 60 -26.146 -0.824 -4.237 1.00 0.00 N ATOM 0 H GLN A 60 -29.718 1.829 -4.322 1.00 0.00 H new ATOM 0 HA GLN A 60 -27.504 3.881 -4.178 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -27.818 1.318 -5.836 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -26.748 2.615 -6.332 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -25.259 2.266 -4.549 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -26.498 1.610 -3.497 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -26.723 -0.670 -3.410 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -25.888 -1.772 -4.510 1.00 0.00 H new ATOM 972 N GLY A 61 -29.334 3.315 -6.833 1.00 0.00 N ATOM 973 CA GLY A 61 -30.161 3.999 -7.869 1.00 0.00 C ATOM 974 C GLY A 61 -29.211 4.629 -8.876 1.00 0.00 C ATOM 975 O GLY A 61 -29.253 5.821 -9.119 1.00 0.00 O ATOM 0 H GLY A 61 -29.095 2.347 -7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -30.823 3.287 -8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.794 4.760 -7.412 1.00 0.00 H new ATOM 979 N GLY A 62 -28.321 3.839 -9.433 1.00 0.00 N ATOM 980 CA GLY A 62 -27.322 4.393 -10.387 1.00 0.00 C ATOM 981 C GLY A 62 -26.530 5.470 -9.640 1.00 0.00 C ATOM 982 O GLY A 62 -26.054 6.423 -10.226 1.00 0.00 O ATOM 0 H GLY A 62 -28.248 2.836 -9.264 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -26.658 3.608 -10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -27.818 4.817 -11.260 1.00 0.00 H new ATOM 986 N GLN A 63 -26.411 5.328 -8.334 1.00 0.00 N ATOM 987 CA GLN A 63 -25.685 6.338 -7.530 1.00 0.00 C ATOM 988 C GLN A 63 -24.175 6.162 -7.663 1.00 0.00 C ATOM 989 O GLN A 63 -23.435 7.121 -7.623 1.00 0.00 O ATOM 990 CB GLN A 63 -26.124 6.085 -6.087 1.00 0.00 C ATOM 991 CG GLN A 63 -25.425 7.066 -5.147 1.00 0.00 C ATOM 992 CD GLN A 63 -26.393 8.183 -4.747 1.00 0.00 C ATOM 993 OE1 GLN A 63 -26.777 8.285 -3.599 1.00 0.00 O ATOM 994 NE2 GLN A 63 -26.802 9.032 -5.650 1.00 0.00 N ATOM 0 H GLN A 63 -26.792 4.547 -7.800 1.00 0.00 H new ATOM 0 HA GLN A 63 -25.909 7.352 -7.860 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -27.205 6.196 -6.003 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -25.885 5.061 -5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -25.072 6.543 -4.258 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -24.548 7.490 -5.636 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -26.479 8.946 -6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.444 9.781 -5.392 1.00 0.00 H new ATOM 1003 N THR A 64 -23.714 4.937 -7.778 1.00 0.00 N ATOM 1004 CA THR A 64 -22.244 4.677 -7.860 1.00 0.00 C ATOM 1005 C THR A 64 -21.628 5.051 -6.516 1.00 0.00 C ATOM 1006 O THR A 64 -20.819 5.955 -6.403 1.00 0.00 O ATOM 1007 CB THR A 64 -21.687 5.553 -8.975 1.00 0.00 C ATOM 1008 OG1 THR A 64 -22.472 5.400 -10.150 1.00 0.00 O ATOM 1009 CG2 THR A 64 -20.241 5.143 -9.258 1.00 0.00 C ATOM 0 H THR A 64 -24.299 4.103 -7.819 1.00 0.00 H new ATOM 0 HA THR A 64 -22.019 3.632 -8.075 1.00 0.00 H new ATOM 0 HB THR A 64 -21.717 6.598 -8.667 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.721 6.283 -10.494 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.836 5.766 -10.055 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.643 5.273 -8.356 1.00 0.00 H new ATOM 0 HG23 THR A 64 -20.213 4.097 -9.565 1.00 0.00 H new ATOM 1017 N HIS A 65 -22.041 4.364 -5.495 1.00 0.00 N ATOM 1018 CA HIS A 65 -21.536 4.652 -4.124 1.00 0.00 C ATOM 1019 C HIS A 65 -20.066 4.221 -3.994 1.00 0.00 C ATOM 1020 O HIS A 65 -19.435 3.824 -4.957 1.00 0.00 O ATOM 1021 CB HIS A 65 -22.433 3.812 -3.209 1.00 0.00 C ATOM 1022 CG HIS A 65 -23.622 4.612 -2.749 1.00 0.00 C ATOM 1023 ND1 HIS A 65 -24.894 4.069 -2.688 1.00 0.00 N ATOM 1024 CD2 HIS A 65 -23.752 5.910 -2.331 1.00 0.00 C ATOM 1025 CE1 HIS A 65 -25.726 5.029 -2.252 1.00 0.00 C ATOM 1026 NE2 HIS A 65 -25.082 6.173 -2.016 1.00 0.00 N ATOM 0 H HIS A 65 -22.718 3.603 -5.550 1.00 0.00 H new ATOM 0 HA HIS A 65 -21.569 5.713 -3.876 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -22.771 2.922 -3.740 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -21.862 3.471 -2.346 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -22.944 6.622 -2.257 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -26.788 4.891 -2.110 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -25.478 7.050 -1.678 1.00 0.00 H new ATOM 1034 N GLN A 66 -19.517 4.311 -2.810 1.00 0.00 N ATOM 1035 CA GLN A 66 -18.089 3.924 -2.609 1.00 0.00 C ATOM 1036 C GLN A 66 -17.912 3.055 -1.349 1.00 0.00 C ATOM 1037 O GLN A 66 -17.395 1.959 -1.422 1.00 0.00 O ATOM 1038 CB GLN A 66 -17.315 5.252 -2.493 1.00 0.00 C ATOM 1039 CG GLN A 66 -18.017 6.236 -1.543 1.00 0.00 C ATOM 1040 CD GLN A 66 -18.469 7.472 -2.323 1.00 0.00 C ATOM 1041 OE1 GLN A 66 -17.778 8.470 -2.355 1.00 0.00 O ATOM 1042 NE2 GLN A 66 -19.615 7.448 -2.949 1.00 0.00 N ATOM 0 H GLN A 66 -19.998 4.637 -1.972 1.00 0.00 H new ATOM 0 HA GLN A 66 -17.719 3.317 -3.436 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -16.305 5.055 -2.132 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -17.218 5.705 -3.480 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -18.876 5.755 -1.075 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -17.339 6.528 -0.741 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -20.194 6.609 -2.921 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -19.931 8.269 -3.466 1.00 0.00 H new ATOM 1051 N ASP A 67 -18.325 3.535 -0.203 1.00 0.00 N ATOM 1052 CA ASP A 67 -18.175 2.744 1.060 1.00 0.00 C ATOM 1053 C ASP A 67 -19.303 1.702 1.238 1.00 0.00 C ATOM 1054 O ASP A 67 -19.046 0.616 1.722 1.00 0.00 O ATOM 1055 CB ASP A 67 -18.236 3.790 2.176 1.00 0.00 C ATOM 1056 CG ASP A 67 -18.177 3.107 3.548 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -17.089 2.737 3.959 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -19.222 2.970 4.164 1.00 0.00 O ATOM 0 H ASP A 67 -18.763 4.448 -0.086 1.00 0.00 H new ATOM 0 HA ASP A 67 -17.248 2.171 1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -17.406 4.489 2.074 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -19.155 4.370 2.090 1.00 0.00 H new ATOM 1063 N PRO A 68 -20.523 2.063 0.878 1.00 0.00 N ATOM 1064 CA PRO A 68 -21.663 1.129 1.050 1.00 0.00 C ATOM 1065 C PRO A 68 -21.681 0.003 -0.005 1.00 0.00 C ATOM 1066 O PRO A 68 -22.142 -1.086 0.279 1.00 0.00 O ATOM 1067 CB PRO A 68 -22.892 2.021 0.920 1.00 0.00 C ATOM 1068 CG PRO A 68 -22.440 3.191 0.105 1.00 0.00 C ATOM 1069 CD PRO A 68 -20.951 3.346 0.299 1.00 0.00 C ATOM 0 HA PRO A 68 -21.609 0.606 2.005 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -23.712 1.494 0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -23.254 2.338 1.898 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.673 3.035 -0.948 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -22.961 4.096 0.416 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.445 3.544 -0.646 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -20.721 4.179 0.964 1.00 0.00 H new ATOM 1077 N ILE A 69 -21.208 0.236 -1.215 1.00 0.00 N ATOM 1078 CA ILE A 69 -21.244 -0.866 -2.240 1.00 0.00 C ATOM 1079 C ILE A 69 -19.893 -1.001 -2.992 1.00 0.00 C ATOM 1080 O ILE A 69 -19.866 -1.172 -4.196 1.00 0.00 O ATOM 1081 CB ILE A 69 -22.435 -0.522 -3.188 1.00 0.00 C ATOM 1082 CG1 ILE A 69 -21.995 0.281 -4.428 1.00 0.00 C ATOM 1083 CG2 ILE A 69 -23.495 0.289 -2.427 1.00 0.00 C ATOM 1084 CD1 ILE A 69 -21.027 1.397 -4.042 1.00 0.00 C ATOM 0 H ILE A 69 -20.808 1.120 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.392 -1.841 -1.777 1.00 0.00 H new ATOM 0 HB ILE A 69 -22.846 -1.472 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -21.519 -0.386 -5.147 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -22.870 0.707 -4.919 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -24.322 0.525 -3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -23.865 -0.296 -1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -23.051 1.214 -2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -20.732 1.948 -4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -21.514 2.075 -3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -20.142 0.966 -3.573 1.00 0.00 H new ATOM 1096 N PRO A 70 -18.801 -0.956 -2.253 1.00 0.00 N ATOM 1097 CA PRO A 70 -17.452 -1.096 -2.876 1.00 0.00 C ATOM 1098 C PRO A 70 -17.270 -2.504 -3.463 1.00 0.00 C ATOM 1099 O PRO A 70 -16.366 -2.749 -4.240 1.00 0.00 O ATOM 1100 CB PRO A 70 -16.491 -0.864 -1.713 1.00 0.00 C ATOM 1101 CG PRO A 70 -17.294 -1.213 -0.502 1.00 0.00 C ATOM 1102 CD PRO A 70 -18.708 -0.790 -0.798 1.00 0.00 C ATOM 0 HA PRO A 70 -17.291 -0.402 -3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -15.604 -1.492 -1.798 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -16.148 0.170 -1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -17.243 -2.282 -0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -16.911 -0.700 0.380 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -19.434 -1.411 -0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -18.893 0.241 -0.496 1.00 0.00 H new ATOM 1110 N LYS A 71 -18.131 -3.421 -3.098 1.00 0.00 N ATOM 1111 CA LYS A 71 -18.036 -4.817 -3.625 1.00 0.00 C ATOM 1112 C LYS A 71 -18.317 -4.838 -5.136 1.00 0.00 C ATOM 1113 O LYS A 71 -17.680 -5.560 -5.880 1.00 0.00 O ATOM 1114 CB LYS A 71 -19.101 -5.622 -2.854 1.00 0.00 C ATOM 1115 CG LYS A 71 -20.475 -4.935 -2.945 1.00 0.00 C ATOM 1116 CD LYS A 71 -21.127 -4.851 -1.561 1.00 0.00 C ATOM 1117 CE LYS A 71 -20.282 -3.967 -0.632 1.00 0.00 C ATOM 1118 NZ LYS A 71 -21.083 -3.875 0.624 1.00 0.00 N ATOM 0 H LYS A 71 -18.903 -3.260 -2.451 1.00 0.00 H new ATOM 0 HA LYS A 71 -17.041 -5.239 -3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -19.166 -6.631 -3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.805 -5.718 -1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -20.361 -3.934 -3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -21.121 -5.490 -3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -22.133 -4.442 -1.649 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -21.225 -5.850 -1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -19.302 -4.408 -0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -20.111 -2.982 -1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -20.457 -4.000 1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -21.541 -2.943 0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -21.810 -4.619 0.627 1.00 0.00 H new ATOM 1132 N GLN A 72 -19.267 -4.055 -5.593 1.00 0.00 N ATOM 1133 CA GLN A 72 -19.598 -4.025 -7.049 1.00 0.00 C ATOM 1134 C GLN A 72 -20.371 -2.743 -7.372 1.00 0.00 C ATOM 1135 O GLN A 72 -20.888 -2.097 -6.482 1.00 0.00 O ATOM 1136 CB GLN A 72 -20.485 -5.260 -7.318 1.00 0.00 C ATOM 1137 CG GLN A 72 -21.142 -5.780 -6.027 1.00 0.00 C ATOM 1138 CD GLN A 72 -22.486 -5.077 -5.782 1.00 0.00 C ATOM 1139 OE1 GLN A 72 -23.526 -5.625 -6.089 1.00 0.00 O ATOM 1140 NE2 GLN A 72 -22.517 -3.885 -5.233 1.00 0.00 N ATOM 0 H GLN A 72 -19.829 -3.432 -5.013 1.00 0.00 H new ATOM 0 HA GLN A 72 -18.700 -4.043 -7.667 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -21.258 -5.002 -8.042 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -19.882 -6.051 -7.764 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -21.297 -6.857 -6.100 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -20.477 -5.610 -5.180 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -21.647 -3.420 -4.973 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -23.411 -3.423 -5.066 1.00 0.00 H new ATOM 1149 N PRO A 73 -20.448 -2.421 -8.637 1.00 0.00 N ATOM 1150 CA PRO A 73 -21.197 -1.212 -9.056 1.00 0.00 C ATOM 1151 C PRO A 73 -22.681 -1.403 -8.717 1.00 0.00 C ATOM 1152 O PRO A 73 -23.284 -0.572 -8.065 1.00 0.00 O ATOM 1153 CB PRO A 73 -20.951 -1.139 -10.560 1.00 0.00 C ATOM 1154 CG PRO A 73 -20.630 -2.549 -10.943 1.00 0.00 C ATOM 1155 CD PRO A 73 -19.868 -3.134 -9.783 1.00 0.00 C ATOM 0 HA PRO A 73 -20.887 -0.293 -8.559 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -21.829 -0.771 -11.091 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -20.129 -0.464 -10.798 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -21.540 -3.117 -11.138 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.034 -2.579 -11.855 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.010 -4.212 -9.705 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -18.796 -2.959 -9.871 1.00 0.00 H new ATOM 1163 N SER A 74 -23.255 -2.519 -9.123 1.00 0.00 N ATOM 1164 CA SER A 74 -24.687 -2.816 -8.799 1.00 0.00 C ATOM 1165 C SER A 74 -25.594 -1.616 -9.106 1.00 0.00 C ATOM 1166 O SER A 74 -26.453 -1.265 -8.317 1.00 0.00 O ATOM 1167 CB SER A 74 -24.671 -3.125 -7.297 1.00 0.00 C ATOM 1168 OG SER A 74 -25.643 -4.118 -7.006 1.00 0.00 O ATOM 0 H SER A 74 -22.784 -3.240 -9.670 1.00 0.00 H new ATOM 0 HA SER A 74 -25.084 -3.638 -9.394 1.00 0.00 H new ATOM 0 HB2 SER A 74 -23.682 -3.471 -6.997 1.00 0.00 H new ATOM 0 HB3 SER A 74 -24.879 -2.220 -6.727 1.00 0.00 H new ATOM 0 HG SER A 74 -25.201 -4.909 -6.633 1.00 0.00 H new ATOM 1174 N SER A 75 -25.409 -0.994 -10.251 1.00 0.00 N ATOM 1175 CA SER A 75 -26.246 0.192 -10.637 1.00 0.00 C ATOM 1176 C SER A 75 -25.643 0.901 -11.862 1.00 0.00 C ATOM 1177 O SER A 75 -26.354 1.433 -12.691 1.00 0.00 O ATOM 1178 CB SER A 75 -26.223 1.133 -9.424 1.00 0.00 C ATOM 1179 OG SER A 75 -27.516 1.186 -8.840 1.00 0.00 O ATOM 0 H SER A 75 -24.707 -1.261 -10.941 1.00 0.00 H new ATOM 0 HA SER A 75 -27.260 -0.107 -10.901 1.00 0.00 H new ATOM 0 HB2 SER A 75 -25.496 0.782 -8.692 1.00 0.00 H new ATOM 0 HB3 SER A 75 -25.910 2.131 -9.731 1.00 0.00 H new ATOM 0 HG SER A 75 -27.703 0.340 -8.383 1.00 0.00 H new ATOM 1185 N GLN A 76 -24.335 0.920 -11.973 1.00 0.00 N ATOM 1186 CA GLN A 76 -23.675 1.600 -13.134 1.00 0.00 C ATOM 1187 C GLN A 76 -23.751 0.732 -14.407 1.00 0.00 C ATOM 1188 O GLN A 76 -24.134 1.223 -15.453 1.00 0.00 O ATOM 1189 CB GLN A 76 -22.217 1.806 -12.708 1.00 0.00 C ATOM 1190 CG GLN A 76 -22.143 2.886 -11.623 1.00 0.00 C ATOM 1191 CD GLN A 76 -22.036 2.228 -10.244 1.00 0.00 C ATOM 1192 OE1 GLN A 76 -20.962 1.856 -9.817 1.00 0.00 O ATOM 1193 NE2 GLN A 76 -23.113 2.074 -9.521 1.00 0.00 N ATOM 0 H GLN A 76 -23.693 0.492 -11.306 1.00 0.00 H new ATOM 0 HA GLN A 76 -24.168 2.542 -13.377 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -21.802 0.871 -12.332 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -21.615 2.099 -13.568 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -21.281 3.531 -11.797 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -23.029 3.520 -11.666 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -24.016 2.386 -9.878 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -23.051 1.642 -8.599 1.00 0.00 H new ATOM 1202 N PRO A 77 -23.382 -0.529 -14.287 1.00 0.00 N ATOM 1203 CA PRO A 77 -23.417 -1.444 -15.457 1.00 0.00 C ATOM 1204 C PRO A 77 -24.861 -1.817 -15.815 1.00 0.00 C ATOM 1205 O PRO A 77 -25.114 -2.388 -16.860 1.00 0.00 O ATOM 1206 CB PRO A 77 -22.660 -2.680 -14.976 1.00 0.00 C ATOM 1207 CG PRO A 77 -22.811 -2.657 -13.491 1.00 0.00 C ATOM 1208 CD PRO A 77 -22.905 -1.214 -13.078 1.00 0.00 C ATOM 0 HA PRO A 77 -22.983 -0.995 -16.350 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -23.077 -3.592 -15.403 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -21.611 -2.642 -15.269 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -23.703 -3.204 -13.186 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -21.961 -3.141 -13.010 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -23.596 -1.081 -12.245 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -21.938 -0.827 -12.755 1.00 0.00 H new ATOM 1216 N ARG A 78 -25.804 -1.523 -14.952 1.00 0.00 N ATOM 1217 CA ARG A 78 -27.218 -1.890 -15.242 1.00 0.00 C ATOM 1218 C ARG A 78 -28.189 -0.787 -14.786 1.00 0.00 C ATOM 1219 O ARG A 78 -29.287 -1.066 -14.339 1.00 0.00 O ATOM 1220 CB ARG A 78 -27.432 -3.179 -14.439 1.00 0.00 C ATOM 1221 CG ARG A 78 -27.371 -2.882 -12.934 1.00 0.00 C ATOM 1222 CD ARG A 78 -27.272 -4.197 -12.155 1.00 0.00 C ATOM 1223 NE ARG A 78 -28.688 -4.639 -11.990 1.00 0.00 N ATOM 1224 CZ ARG A 78 -28.975 -5.914 -11.958 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -28.711 -6.616 -10.887 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -29.526 -6.486 -12.998 1.00 0.00 N ATOM 0 H ARG A 78 -25.652 -1.046 -14.063 1.00 0.00 H new ATOM 0 HA ARG A 78 -27.406 -2.019 -16.308 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -28.397 -3.618 -14.692 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -26.670 -3.912 -14.704 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -26.511 -2.250 -12.712 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -28.259 -2.331 -12.625 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -26.685 -4.938 -12.699 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -26.786 -4.052 -11.190 1.00 0.00 H new ATOM 0 HE ARG A 78 -29.432 -3.946 -11.902 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -28.281 -6.169 -10.077 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -28.935 -7.611 -10.861 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -29.731 -5.937 -13.833 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -29.750 -7.481 -12.974 1.00 0.00 H new ATOM 1240 N GLY A 79 -27.803 0.460 -14.897 1.00 0.00 N ATOM 1241 CA GLY A 79 -28.713 1.564 -14.469 1.00 0.00 C ATOM 1242 C GLY A 79 -28.291 2.877 -15.131 1.00 0.00 C ATOM 1243 O GLY A 79 -28.443 3.055 -16.325 1.00 0.00 O ATOM 0 H GLY A 79 -26.900 0.759 -15.264 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -29.741 1.325 -14.740 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -28.686 1.669 -13.384 1.00 0.00 H new ATOM 1247 N ASP A 80 -27.766 3.798 -14.362 1.00 0.00 N ATOM 1248 CA ASP A 80 -27.335 5.106 -14.941 1.00 0.00 C ATOM 1249 C ASP A 80 -26.013 4.939 -15.702 1.00 0.00 C ATOM 1250 O ASP A 80 -25.101 4.294 -15.220 1.00 0.00 O ATOM 1251 CB ASP A 80 -27.148 6.038 -13.739 1.00 0.00 C ATOM 1252 CG ASP A 80 -26.715 7.426 -14.223 1.00 0.00 C ATOM 1253 OD1 ASP A 80 -27.586 8.227 -14.519 1.00 0.00 O ATOM 1254 OD2 ASP A 80 -25.519 7.662 -14.290 1.00 0.00 O ATOM 0 H ASP A 80 -27.617 3.700 -13.358 1.00 0.00 H new ATOM 0 HA ASP A 80 -28.063 5.500 -15.650 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -28.079 6.113 -13.176 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -26.398 5.628 -13.062 1.00 0.00 H new ATOM 1259 N PRO A 81 -25.953 5.536 -16.872 1.00 0.00 N ATOM 1260 CA PRO A 81 -24.727 5.457 -17.703 1.00 0.00 C ATOM 1261 C PRO A 81 -23.611 6.302 -17.075 1.00 0.00 C ATOM 1262 O PRO A 81 -23.436 7.463 -17.401 1.00 0.00 O ATOM 1263 CB PRO A 81 -25.163 6.031 -19.049 1.00 0.00 C ATOM 1264 CG PRO A 81 -26.318 6.924 -18.719 1.00 0.00 C ATOM 1265 CD PRO A 81 -27.011 6.327 -17.521 1.00 0.00 C ATOM 0 HA PRO A 81 -24.330 4.446 -17.794 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -24.355 6.587 -19.524 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -25.457 5.242 -19.741 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -25.973 7.935 -18.501 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -27.003 6.996 -19.564 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -27.400 7.098 -16.857 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -27.855 5.704 -17.815 1.00 0.00 H new ATOM 1273 N THR A 82 -22.860 5.726 -16.170 1.00 0.00 N ATOM 1274 CA THR A 82 -21.754 6.488 -15.508 1.00 0.00 C ATOM 1275 C THR A 82 -20.645 6.795 -16.518 1.00 0.00 C ATOM 1276 O THR A 82 -20.262 7.935 -16.703 1.00 0.00 O ATOM 1277 CB THR A 82 -21.225 5.572 -14.393 1.00 0.00 C ATOM 1278 OG1 THR A 82 -21.208 4.222 -14.842 1.00 0.00 O ATOM 1279 CG2 THR A 82 -22.126 5.694 -13.164 1.00 0.00 C ATOM 0 H THR A 82 -22.964 4.760 -15.860 1.00 0.00 H new ATOM 0 HA THR A 82 -22.102 7.442 -15.111 1.00 0.00 H new ATOM 0 HB THR A 82 -20.210 5.873 -14.132 1.00 0.00 H new ATOM 0 HG1 THR A 82 -22.032 3.773 -14.560 1.00 0.00 H new ATOM 0 HG21 THR A 82 -21.752 5.045 -12.373 1.00 0.00 H new ATOM 0 HG22 THR A 82 -22.128 6.727 -12.815 1.00 0.00 H new ATOM 0 HG23 THR A 82 -23.142 5.398 -13.427 1.00 0.00 H new ATOM 1287 N GLY A 83 -20.129 5.786 -17.169 1.00 0.00 N ATOM 1288 CA GLY A 83 -19.046 6.014 -18.163 1.00 0.00 C ATOM 1289 C GLY A 83 -18.597 4.670 -18.747 1.00 0.00 C ATOM 1290 O GLY A 83 -19.205 4.164 -19.671 1.00 0.00 O ATOM 0 H GLY A 83 -20.413 4.813 -17.053 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -19.401 6.668 -18.959 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -18.203 6.517 -17.689 1.00 0.00 H new ATOM 1294 N PRO A 84 -17.535 4.143 -18.188 1.00 0.00 N ATOM 1295 CA PRO A 84 -16.964 2.865 -18.635 1.00 0.00 C ATOM 1296 C PRO A 84 -17.380 1.703 -17.712 1.00 0.00 C ATOM 1297 O PRO A 84 -16.870 0.605 -17.831 1.00 0.00 O ATOM 1298 CB PRO A 84 -15.464 3.143 -18.512 1.00 0.00 C ATOM 1299 CG PRO A 84 -15.347 4.240 -17.469 1.00 0.00 C ATOM 1300 CD PRO A 84 -16.745 4.674 -17.092 1.00 0.00 C ATOM 0 HA PRO A 84 -17.290 2.564 -19.631 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.922 2.249 -18.205 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.043 3.460 -19.466 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -14.811 3.877 -16.592 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.779 5.083 -17.864 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -17.054 4.263 -16.131 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -16.829 5.758 -17.017 1.00 0.00 H new ATOM 1308 N LYS A 85 -18.299 1.929 -16.799 1.00 0.00 N ATOM 1309 CA LYS A 85 -18.734 0.827 -15.883 1.00 0.00 C ATOM 1310 C LYS A 85 -19.880 0.022 -16.516 1.00 0.00 C ATOM 1311 O LYS A 85 -20.401 -0.896 -15.914 1.00 0.00 O ATOM 1312 CB LYS A 85 -19.220 1.523 -14.605 1.00 0.00 C ATOM 1313 CG LYS A 85 -18.114 2.422 -14.032 1.00 0.00 C ATOM 1314 CD LYS A 85 -16.860 1.592 -13.734 1.00 0.00 C ATOM 1315 CE LYS A 85 -17.160 0.581 -12.621 1.00 0.00 C ATOM 1316 NZ LYS A 85 -15.908 -0.223 -12.506 1.00 0.00 N ATOM 0 H LYS A 85 -18.763 2.825 -16.651 1.00 0.00 H new ATOM 0 HA LYS A 85 -17.923 0.127 -15.683 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -20.106 2.119 -14.822 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -19.511 0.777 -13.865 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.875 3.214 -14.742 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -18.464 2.906 -13.120 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -16.535 1.070 -14.634 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.042 2.247 -13.433 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -17.399 1.082 -11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.014 -0.047 -12.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -16.024 -0.942 -11.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -15.711 -0.691 -13.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -15.115 0.403 -12.260 1.00 0.00 H new ATOM 1330 N GLU A 86 -20.274 0.358 -17.724 1.00 0.00 N ATOM 1331 CA GLU A 86 -21.384 -0.386 -18.394 1.00 0.00 C ATOM 1332 C GLU A 86 -20.884 -1.746 -18.900 1.00 0.00 C ATOM 1333 O GLU A 86 -20.065 -1.760 -19.805 1.00 0.00 O ATOM 1334 CB GLU A 86 -21.816 0.511 -19.560 1.00 0.00 C ATOM 1335 CG GLU A 86 -22.330 1.846 -19.012 1.00 0.00 C ATOM 1336 CD GLU A 86 -22.889 2.696 -20.157 1.00 0.00 C ATOM 1337 OE1 GLU A 86 -22.101 3.347 -20.826 1.00 0.00 O ATOM 1338 OE2 GLU A 86 -24.094 2.685 -20.343 1.00 0.00 O ATOM 1339 OXT GLU A 86 -21.326 -2.750 -18.368 1.00 0.00 O ATOM 0 H GLU A 86 -19.872 1.118 -18.273 1.00 0.00 H new ATOM 0 HA GLU A 86 -22.213 -0.593 -17.717 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -20.976 0.681 -20.233 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -22.596 0.020 -20.142 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -23.105 1.669 -18.266 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -21.522 2.380 -18.512 1.00 0.00 H new