USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 934 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 54 GLN : amide:sc= 1.13 K(o=1.1,f=-0.85) USER MOD Set 1.2: A 88 TYR OH : rot -95:sc= -0.0286 USER MOD Set 2.1: A 51 MET CE :methyl -144:sc= -0.203 (180deg=-0.896) USER MOD Set 2.2: A 91 LYS NZ :NH3+ 163:sc= 0 (180deg=0) USER MOD Set 3.1: A 3 SER OG : rot 46:sc= 0.265 USER MOD Set 3.2: A 43 GLN : amide:sc= -0.604 K(o=-0.34,f=-4!) USER MOD Set 4.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 31 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0518 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -140:sc= 0.0124 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0587) USER MOD Single : A 22 HIS : no HD1:sc= -0.0715 X(o=-0.071,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.395 X(o=-0.4,f=-0.28) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 33 GLN : amide:sc= -0.0186 K(o=-0.019,f=-1.7!) USER MOD Single : A 35 THR OG1 : rot 170:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc=-0.00906 X(o=-0.0091,f=-0.38) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -73:sc= 0.653 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.45 K(o=0.45,f=-5!) USER MOD Single : A 61 THR OG1 : rot -48:sc= 0.532 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 33:sc= 1.25 USER MOD Single : A 65 GLN : amide:sc= -0.0466 X(o=-0.047,f=0) USER MOD Single : A 66 ASN : amide:sc= -1.68 K(o=-1.7,f=-3.5) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 76 SER OG : rot 19:sc= 0.156 USER MOD Single : A 81 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.4!) USER MOD Single : A 83 LYS NZ :NH3+ 144:sc= 0.302 (180deg=0.00728) USER MOD Single : A 84 LYS NZ :NH3+ -162:sc= -0.0121 (180deg=-0.2) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0226 K(o=-0.023,f=-1.5) USER MOD Single : A 100 GLN : amide:sc= -0.461 K(o=-0.46,f=-1.5) USER MOD Single : A 102 MET CE :methyl -159:sc= -0.0297 (180deg=-0.288) USER MOD Single : A 104 SER OG : rot -53:sc= 0.114 USER MOD Single : A 106 SER OG : rot 36:sc= 0.888 USER MOD Single : A 107 LYS NZ :NH3+ 161:sc= -0.859 (180deg=-1.21) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.00121 USER MOD Single : A 111 THR OG1 : rot 174:sc= 0.67 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.247 25.231 -0.137 1.00 0.00 N ATOM 2 CA GLY A 1 -18.414 25.768 1.201 1.00 0.00 C ATOM 3 C GLY A 1 -17.717 24.929 2.253 1.00 0.00 C ATOM 4 O GLY A 1 -17.338 23.786 1.996 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.547 25.800 -0.654 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.918 24.246 -0.077 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.157 25.262 -0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.022 26.785 1.233 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.477 25.829 1.435 1.00 0.00 H new ATOM 8 N SER A 2 -17.546 25.497 3.443 1.00 0.00 N ATOM 9 CA SER A 2 -16.885 24.796 4.537 1.00 0.00 C ATOM 10 C SER A 2 -17.623 23.505 4.880 1.00 0.00 C ATOM 11 O SER A 2 -18.670 23.205 4.307 1.00 0.00 O ATOM 12 CB SER A 2 -16.805 25.694 5.773 1.00 0.00 C ATOM 13 OG SER A 2 -15.663 26.531 5.722 1.00 0.00 O ATOM 0 H SER A 2 -17.856 26.441 3.674 1.00 0.00 H new ATOM 0 HA SER A 2 -15.875 24.543 4.215 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.705 26.305 5.841 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.769 25.079 6.672 1.00 0.00 H new ATOM 0 HG SER A 2 -15.636 27.096 6.522 1.00 0.00 H new ATOM 19 N SER A 3 -17.068 22.745 5.818 1.00 0.00 N ATOM 20 CA SER A 3 -17.670 21.484 6.236 1.00 0.00 C ATOM 21 C SER A 3 -17.416 21.225 7.718 1.00 0.00 C ATOM 22 O SER A 3 -16.289 20.955 8.128 1.00 0.00 O ATOM 23 CB SER A 3 -17.114 20.328 5.402 1.00 0.00 C ATOM 24 OG SER A 3 -15.716 20.191 5.589 1.00 0.00 O ATOM 0 H SER A 3 -16.202 22.980 6.303 1.00 0.00 H new ATOM 0 HA SER A 3 -18.746 21.553 6.077 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.614 19.401 5.681 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.328 20.501 4.347 1.00 0.00 H new ATOM 0 HG SER A 3 -15.508 20.233 6.546 1.00 0.00 H new ATOM 30 N GLY A 4 -18.476 21.310 8.517 1.00 0.00 N ATOM 31 CA GLY A 4 -18.348 21.083 9.944 1.00 0.00 C ATOM 32 C GLY A 4 -19.617 20.525 10.558 1.00 0.00 C ATOM 33 O GLY A 4 -20.009 20.920 11.656 1.00 0.00 O ATOM 0 H GLY A 4 -19.420 21.532 8.201 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.525 20.392 10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.092 22.021 10.437 1.00 0.00 H new ATOM 37 N SER A 5 -20.260 19.604 9.848 1.00 0.00 N ATOM 38 CA SER A 5 -21.495 18.994 10.327 1.00 0.00 C ATOM 39 C SER A 5 -21.212 18.010 11.457 1.00 0.00 C ATOM 40 O SER A 5 -20.057 17.752 11.796 1.00 0.00 O ATOM 41 CB SER A 5 -22.214 18.279 9.181 1.00 0.00 C ATOM 42 OG SER A 5 -21.477 17.152 8.741 1.00 0.00 O ATOM 0 H SER A 5 -19.946 19.264 8.939 1.00 0.00 H new ATOM 0 HA SER A 5 -22.137 19.787 10.711 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.205 17.964 9.509 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.358 18.970 8.350 1.00 0.00 H new ATOM 0 HG SER A 5 -21.520 17.094 7.764 1.00 0.00 H new ATOM 48 N SER A 6 -22.275 17.463 12.038 1.00 0.00 N ATOM 49 CA SER A 6 -22.143 16.510 13.133 1.00 0.00 C ATOM 50 C SER A 6 -22.254 15.076 12.622 1.00 0.00 C ATOM 51 O SER A 6 -23.103 14.309 13.073 1.00 0.00 O ATOM 52 CB SER A 6 -23.213 16.769 14.196 1.00 0.00 C ATOM 53 OG SER A 6 -22.826 16.234 15.450 1.00 0.00 O ATOM 0 H SER A 6 -23.238 17.664 11.768 1.00 0.00 H new ATOM 0 HA SER A 6 -21.158 16.643 13.580 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.383 17.841 14.291 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.157 16.323 13.883 1.00 0.00 H new ATOM 0 HG SER A 6 -23.526 16.414 16.112 1.00 0.00 H new ATOM 59 N GLY A 7 -21.388 14.722 11.677 1.00 0.00 N ATOM 60 CA GLY A 7 -21.405 13.383 11.120 1.00 0.00 C ATOM 61 C GLY A 7 -22.543 13.177 10.140 1.00 0.00 C ATOM 62 O GLY A 7 -23.101 12.083 10.047 1.00 0.00 O ATOM 0 H GLY A 7 -20.675 15.339 11.288 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.457 13.190 10.617 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.490 12.657 11.929 1.00 0.00 H new ATOM 66 N ARG A 8 -22.889 14.231 9.408 1.00 0.00 N ATOM 67 CA ARG A 8 -23.970 14.162 8.432 1.00 0.00 C ATOM 68 C ARG A 8 -23.436 13.781 7.055 1.00 0.00 C ATOM 69 O ARG A 8 -23.964 12.881 6.401 1.00 0.00 O ATOM 70 CB ARG A 8 -24.703 15.503 8.354 1.00 0.00 C ATOM 71 CG ARG A 8 -25.775 15.674 9.418 1.00 0.00 C ATOM 72 CD ARG A 8 -25.173 16.064 10.758 1.00 0.00 C ATOM 73 NE ARG A 8 -26.109 16.831 11.576 1.00 0.00 N ATOM 74 CZ ARG A 8 -26.456 18.086 11.314 1.00 0.00 C ATOM 75 NH1 ARG A 8 -25.948 18.712 10.261 1.00 0.00 N ATOM 76 NH2 ARG A 8 -27.314 18.718 12.105 1.00 0.00 N ATOM 0 H ARG A 8 -22.436 15.143 9.472 1.00 0.00 H new ATOM 0 HA ARG A 8 -24.670 13.392 8.757 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.977 16.310 8.449 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -25.161 15.600 7.370 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -26.485 16.438 9.101 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -26.334 14.744 9.526 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -24.874 15.165 11.296 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -24.270 16.652 10.593 1.00 0.00 H new ATOM 0 HE ARG A 8 -26.519 16.378 12.393 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -25.289 18.230 9.650 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -26.216 19.676 10.062 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -27.708 18.240 12.915 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -27.580 19.682 11.903 1.00 0.00 H new ATOM 90 N GLN A 9 -22.387 14.472 6.621 1.00 0.00 N ATOM 91 CA GLN A 9 -21.782 14.206 5.321 1.00 0.00 C ATOM 92 C GLN A 9 -20.818 13.027 5.400 1.00 0.00 C ATOM 93 O GLN A 9 -20.016 12.806 4.492 1.00 0.00 O ATOM 94 CB GLN A 9 -21.047 15.448 4.814 1.00 0.00 C ATOM 95 CG GLN A 9 -20.687 15.382 3.339 1.00 0.00 C ATOM 96 CD GLN A 9 -20.116 16.686 2.818 1.00 0.00 C ATOM 97 OE1 GLN A 9 -19.002 17.075 3.171 1.00 0.00 O ATOM 98 NE2 GLN A 9 -20.878 17.371 1.972 1.00 0.00 N ATOM 0 H GLN A 9 -21.938 15.220 7.150 1.00 0.00 H new ATOM 0 HA GLN A 9 -22.579 13.953 4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -21.670 16.325 4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -20.136 15.584 5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -19.962 14.584 3.181 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -21.576 15.123 2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -21.795 17.012 1.706 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -20.546 18.256 1.588 1.00 0.00 H new ATOM 107 N VAL A 10 -20.902 12.272 6.490 1.00 0.00 N ATOM 108 CA VAL A 10 -20.038 11.114 6.687 1.00 0.00 C ATOM 109 C VAL A 10 -20.329 10.030 5.656 1.00 0.00 C ATOM 110 O VAL A 10 -19.420 9.527 4.996 1.00 0.00 O ATOM 111 CB VAL A 10 -20.205 10.523 8.099 1.00 0.00 C ATOM 112 CG1 VAL A 10 -21.632 10.039 8.311 1.00 0.00 C ATOM 113 CG2 VAL A 10 -19.212 9.393 8.324 1.00 0.00 C ATOM 0 H VAL A 10 -21.560 12.441 7.251 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.012 11.460 6.566 1.00 0.00 H new ATOM 0 HB VAL A 10 -20.001 11.307 8.828 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -21.730 9.625 9.314 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -22.321 10.876 8.195 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -21.868 9.270 7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -19.344 8.987 9.327 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.383 8.607 7.589 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -18.196 9.775 8.218 1.00 0.00 H new ATOM 123 N GLN A 11 -21.603 9.674 5.523 1.00 0.00 N ATOM 124 CA GLN A 11 -22.014 8.648 4.572 1.00 0.00 C ATOM 125 C GLN A 11 -22.175 9.235 3.173 1.00 0.00 C ATOM 126 O GLN A 11 -22.641 8.561 2.255 1.00 0.00 O ATOM 127 CB GLN A 11 -23.325 8.002 5.021 1.00 0.00 C ATOM 128 CG GLN A 11 -23.155 7.001 6.152 1.00 0.00 C ATOM 129 CD GLN A 11 -24.478 6.461 6.658 1.00 0.00 C ATOM 130 OE1 GLN A 11 -25.158 7.103 7.459 1.00 0.00 O ATOM 131 NE2 GLN A 11 -24.851 5.275 6.192 1.00 0.00 N ATOM 0 H GLN A 11 -22.368 10.081 6.062 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.235 7.886 4.539 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -24.015 8.784 5.340 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -23.783 7.500 4.169 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -22.536 6.172 5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -22.622 7.476 6.976 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -24.256 4.777 5.529 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -25.732 4.861 6.497 1.00 0.00 H new ATOM 140 N LYS A 12 -21.786 10.497 3.019 1.00 0.00 N ATOM 141 CA LYS A 12 -21.886 11.176 1.732 1.00 0.00 C ATOM 142 C LYS A 12 -20.510 11.342 1.096 1.00 0.00 C ATOM 143 O LYS A 12 -20.267 10.864 -0.011 1.00 0.00 O ATOM 144 CB LYS A 12 -22.548 12.545 1.906 1.00 0.00 C ATOM 145 CG LYS A 12 -23.289 13.023 0.669 1.00 0.00 C ATOM 146 CD LYS A 12 -22.328 13.399 -0.446 1.00 0.00 C ATOM 147 CE LYS A 12 -22.981 14.335 -1.452 1.00 0.00 C ATOM 148 NZ LYS A 12 -23.113 15.718 -0.919 1.00 0.00 N ATOM 0 H LYS A 12 -21.399 11.070 3.769 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.500 10.563 1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -23.246 12.498 2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.785 13.278 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -23.962 12.239 0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -23.907 13.884 0.924 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -21.446 13.878 -0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -21.988 12.497 -0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -22.390 14.354 -2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -23.967 13.953 -1.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -23.370 16.365 -1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -23.853 15.740 -0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -22.208 16.018 -0.503 1.00 0.00 H new ATOM 162 N GLU A 13 -19.613 12.020 1.805 1.00 0.00 N ATOM 163 CA GLU A 13 -18.261 12.248 1.308 1.00 0.00 C ATOM 164 C GLU A 13 -17.450 10.955 1.327 1.00 0.00 C ATOM 165 O GLU A 13 -16.643 10.702 0.431 1.00 0.00 O ATOM 166 CB GLU A 13 -17.558 13.315 2.149 1.00 0.00 C ATOM 167 CG GLU A 13 -16.043 13.283 2.031 1.00 0.00 C ATOM 168 CD GLU A 13 -15.375 14.421 2.778 1.00 0.00 C ATOM 169 OE1 GLU A 13 -15.843 14.758 3.886 1.00 0.00 O ATOM 170 OE2 GLU A 13 -14.386 14.975 2.255 1.00 0.00 O ATOM 0 H GLU A 13 -19.798 12.421 2.725 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.334 12.597 0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.917 14.299 1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.835 13.182 3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.672 12.333 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.763 13.331 0.979 1.00 0.00 H new ATOM 177 N LEU A 14 -17.670 10.141 2.353 1.00 0.00 N ATOM 178 CA LEU A 14 -16.960 8.874 2.490 1.00 0.00 C ATOM 179 C LEU A 14 -16.899 8.136 1.156 1.00 0.00 C ATOM 180 O LEU A 14 -15.842 8.041 0.535 1.00 0.00 O ATOM 181 CB LEU A 14 -17.641 7.995 3.541 1.00 0.00 C ATOM 182 CG LEU A 14 -17.105 6.570 3.674 1.00 0.00 C ATOM 183 CD1 LEU A 14 -16.014 6.507 4.732 1.00 0.00 C ATOM 184 CD2 LEU A 14 -18.232 5.605 4.011 1.00 0.00 C ATOM 0 H LEU A 14 -18.334 10.335 3.102 1.00 0.00 H new ATOM 0 HA LEU A 14 -15.941 9.091 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.552 8.487 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -18.704 7.941 3.307 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.674 6.274 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.644 5.485 4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.195 7.168 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.420 6.823 5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -17.832 4.595 4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -18.693 5.899 4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -18.980 5.629 3.219 1.00 0.00 H new ATOM 196 N GLY A 15 -18.043 7.617 0.720 1.00 0.00 N ATOM 197 CA GLY A 15 -18.099 6.897 -0.538 1.00 0.00 C ATOM 198 C GLY A 15 -17.652 7.746 -1.712 1.00 0.00 C ATOM 199 O GLY A 15 -16.743 7.366 -2.451 1.00 0.00 O ATOM 0 H GLY A 15 -18.932 7.683 1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.469 6.010 -0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.118 6.552 -0.710 1.00 0.00 H new ATOM 203 N ASP A 16 -18.292 8.896 -1.886 1.00 0.00 N ATOM 204 CA ASP A 16 -17.956 9.801 -2.979 1.00 0.00 C ATOM 205 C ASP A 16 -16.450 9.824 -3.222 1.00 0.00 C ATOM 206 O ASP A 16 -15.992 9.711 -4.359 1.00 0.00 O ATOM 207 CB ASP A 16 -18.457 11.213 -2.673 1.00 0.00 C ATOM 208 CG ASP A 16 -17.650 12.281 -3.385 1.00 0.00 C ATOM 209 OD1 ASP A 16 -16.511 12.552 -2.951 1.00 0.00 O ATOM 210 OD2 ASP A 16 -18.158 12.847 -4.377 1.00 0.00 O ATOM 0 H ASP A 16 -19.047 9.224 -1.284 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.446 9.438 -3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.503 11.296 -2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -18.414 11.386 -1.598 1.00 0.00 H new ATOM 215 N VAL A 17 -15.684 9.971 -2.145 1.00 0.00 N ATOM 216 CA VAL A 17 -14.230 10.009 -2.240 1.00 0.00 C ATOM 217 C VAL A 17 -13.704 8.851 -3.081 1.00 0.00 C ATOM 218 O VAL A 17 -13.987 7.686 -2.798 1.00 0.00 O ATOM 219 CB VAL A 17 -13.575 9.957 -0.847 1.00 0.00 C ATOM 220 CG1 VAL A 17 -12.059 9.982 -0.969 1.00 0.00 C ATOM 221 CG2 VAL A 17 -14.067 11.109 0.016 1.00 0.00 C ATOM 0 H VAL A 17 -16.047 10.066 -1.197 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.969 10.952 -2.721 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.862 9.023 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.613 9.945 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.726 9.121 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.749 10.899 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -13.594 11.057 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.811 12.055 -0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -15.149 11.041 0.131 1.00 0.00 H new ATOM 231 N LEU A 18 -12.937 9.178 -4.114 1.00 0.00 N ATOM 232 CA LEU A 18 -12.370 8.164 -4.997 1.00 0.00 C ATOM 233 C LEU A 18 -10.911 7.891 -4.646 1.00 0.00 C ATOM 234 O LEU A 18 -10.039 8.731 -4.871 1.00 0.00 O ATOM 235 CB LEU A 18 -12.479 8.611 -6.456 1.00 0.00 C ATOM 236 CG LEU A 18 -12.268 7.523 -7.509 1.00 0.00 C ATOM 237 CD1 LEU A 18 -12.867 7.946 -8.842 1.00 0.00 C ATOM 238 CD2 LEU A 18 -10.787 7.210 -7.663 1.00 0.00 C ATOM 0 H LEU A 18 -12.693 10.137 -4.361 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.936 7.243 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.465 9.049 -6.608 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.749 9.402 -6.628 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.777 6.619 -7.176 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.707 7.159 -9.579 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.937 8.119 -8.722 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.387 8.864 -9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.656 6.433 -8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.255 8.110 -7.973 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.388 6.862 -6.710 1.00 0.00 H new ATOM 250 N VAL A 19 -10.652 6.709 -4.095 1.00 0.00 N ATOM 251 CA VAL A 19 -9.298 6.323 -3.715 1.00 0.00 C ATOM 252 C VAL A 19 -8.647 5.467 -4.796 1.00 0.00 C ATOM 253 O VAL A 19 -9.287 4.590 -5.377 1.00 0.00 O ATOM 254 CB VAL A 19 -9.288 5.547 -2.385 1.00 0.00 C ATOM 255 CG1 VAL A 19 -7.862 5.353 -1.891 1.00 0.00 C ATOM 256 CG2 VAL A 19 -10.129 6.266 -1.342 1.00 0.00 C ATOM 0 H VAL A 19 -11.362 6.002 -3.902 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.728 7.244 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.725 4.563 -2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.875 4.803 -0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.293 4.791 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.395 6.326 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.110 5.703 -0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.724 7.264 -1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.157 6.347 -1.696 1.00 0.00 H new ATOM 266 N ARG A 20 -7.371 5.726 -5.060 1.00 0.00 N ATOM 267 CA ARG A 20 -6.633 4.980 -6.072 1.00 0.00 C ATOM 268 C ARG A 20 -5.470 4.218 -5.445 1.00 0.00 C ATOM 269 O ARG A 20 -4.531 4.818 -4.919 1.00 0.00 O ATOM 270 CB ARG A 20 -6.112 5.926 -7.156 1.00 0.00 C ATOM 271 CG ARG A 20 -7.103 6.165 -8.283 1.00 0.00 C ATOM 272 CD ARG A 20 -6.950 5.131 -9.387 1.00 0.00 C ATOM 273 NE ARG A 20 -7.465 5.615 -10.666 1.00 0.00 N ATOM 274 CZ ARG A 20 -7.071 5.143 -11.843 1.00 0.00 C ATOM 275 NH1 ARG A 20 -6.163 4.178 -11.904 1.00 0.00 N ATOM 276 NH2 ARG A 20 -7.585 5.635 -12.963 1.00 0.00 N ATOM 0 H ARG A 20 -6.826 6.447 -4.587 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.315 4.260 -6.525 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.856 6.882 -6.700 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.192 5.516 -7.573 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.119 6.131 -7.889 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.954 7.163 -8.695 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.897 4.870 -9.496 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.477 4.219 -9.106 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.166 6.356 -10.654 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.766 3.797 -11.045 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.862 3.817 -12.809 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.284 6.377 -12.921 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.281 5.271 -13.866 1.00 0.00 H new ATOM 290 N LEU A 21 -5.538 2.892 -5.503 1.00 0.00 N ATOM 291 CA LEU A 21 -4.490 2.047 -4.940 1.00 0.00 C ATOM 292 C LEU A 21 -3.426 1.730 -5.985 1.00 0.00 C ATOM 293 O LEU A 21 -3.730 1.203 -7.056 1.00 0.00 O ATOM 294 CB LEU A 21 -5.092 0.749 -4.398 1.00 0.00 C ATOM 295 CG LEU A 21 -4.154 -0.130 -3.569 1.00 0.00 C ATOM 296 CD1 LEU A 21 -3.678 0.616 -2.332 1.00 0.00 C ATOM 297 CD2 LEU A 21 -4.847 -1.427 -3.178 1.00 0.00 C ATOM 0 H LEU A 21 -6.307 2.379 -5.934 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.018 2.591 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.957 1.001 -3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.458 0.162 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.284 -0.375 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.012 -0.025 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.144 1.517 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.537 0.891 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.165 -2.040 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.735 -1.201 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.138 -1.970 -4.077 1.00 0.00 H new ATOM 309 N HIS A 22 -2.176 2.052 -5.667 1.00 0.00 N ATOM 310 CA HIS A 22 -1.066 1.799 -6.578 1.00 0.00 C ATOM 311 C HIS A 22 -0.501 0.397 -6.370 1.00 0.00 C ATOM 312 O HIS A 22 -0.803 -0.263 -5.376 1.00 0.00 O ATOM 313 CB HIS A 22 0.036 2.840 -6.375 1.00 0.00 C ATOM 314 CG HIS A 22 -0.370 4.226 -6.771 1.00 0.00 C ATOM 315 ND1 HIS A 22 0.243 4.928 -7.787 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.335 5.040 -6.282 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.326 6.115 -7.905 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.287 6.207 -7.004 1.00 0.00 N ATOM 0 H HIS A 22 -1.907 2.489 -4.785 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.442 1.873 -7.598 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.333 2.843 -5.326 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.912 2.547 -6.954 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.016 4.814 -5.475 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.052 6.879 -8.617 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -1.895 7.014 -6.867 1.00 0.00 H new ATOM 327 N ASN A 23 0.318 -0.052 -7.315 1.00 0.00 N ATOM 328 CA ASN A 23 0.924 -1.377 -7.236 1.00 0.00 C ATOM 329 C ASN A 23 1.703 -1.541 -5.935 1.00 0.00 C ATOM 330 O ASN A 23 2.627 -0.784 -5.635 1.00 0.00 O ATOM 331 CB ASN A 23 1.849 -1.610 -8.431 1.00 0.00 C ATOM 332 CG ASN A 23 2.659 -0.377 -8.784 1.00 0.00 C ATOM 333 OD1 ASN A 23 3.689 -0.100 -8.170 1.00 0.00 O ATOM 334 ND2 ASN A 23 2.195 0.371 -9.779 1.00 0.00 N ATOM 0 H ASN A 23 0.578 0.482 -8.145 1.00 0.00 H new ATOM 0 HA ASN A 23 0.124 -2.117 -7.256 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.526 -2.435 -8.208 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.255 -1.910 -9.294 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.697 1.213 -10.061 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.337 0.104 -10.261 1.00 0.00 H new ATOM 341 N PRO A 24 1.325 -2.555 -5.142 1.00 0.00 N ATOM 342 CA PRO A 24 1.977 -2.845 -3.861 1.00 0.00 C ATOM 343 C PRO A 24 3.392 -3.382 -4.039 1.00 0.00 C ATOM 344 O PRO A 24 3.617 -4.592 -4.003 1.00 0.00 O ATOM 345 CB PRO A 24 1.074 -3.911 -3.237 1.00 0.00 C ATOM 346 CG PRO A 24 0.408 -4.570 -4.396 1.00 0.00 C ATOM 347 CD PRO A 24 0.233 -3.498 -5.437 1.00 0.00 C ATOM 0 HA PRO A 24 2.089 -1.950 -3.249 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.652 -4.627 -2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.344 -3.465 -2.562 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.014 -5.391 -4.779 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.554 -4.992 -4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.312 -3.901 -6.447 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.743 -3.019 -5.361 1.00 0.00 H new ATOM 355 N VAL A 25 4.345 -2.476 -4.231 1.00 0.00 N ATOM 356 CA VAL A 25 5.740 -2.859 -4.413 1.00 0.00 C ATOM 357 C VAL A 25 6.176 -3.866 -3.354 1.00 0.00 C ATOM 358 O VAL A 25 6.000 -3.639 -2.157 1.00 0.00 O ATOM 359 CB VAL A 25 6.671 -1.634 -4.355 1.00 0.00 C ATOM 360 CG1 VAL A 25 8.126 -2.063 -4.472 1.00 0.00 C ATOM 361 CG2 VAL A 25 6.311 -0.639 -5.447 1.00 0.00 C ATOM 0 H VAL A 25 4.176 -1.471 -4.265 1.00 0.00 H new ATOM 0 HA VAL A 25 5.816 -3.317 -5.399 1.00 0.00 H new ATOM 0 HB VAL A 25 6.538 -1.144 -3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.769 -1.184 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.374 -2.735 -3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.278 -2.578 -5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.979 0.220 -5.391 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.414 -1.116 -6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.281 -0.307 -5.312 1.00 0.00 H new ATOM 371 N VAL A 26 6.746 -4.980 -3.803 1.00 0.00 N ATOM 372 CA VAL A 26 7.209 -6.021 -2.894 1.00 0.00 C ATOM 373 C VAL A 26 8.685 -5.842 -2.559 1.00 0.00 C ATOM 374 O VAL A 26 9.547 -5.922 -3.435 1.00 0.00 O ATOM 375 CB VAL A 26 6.997 -7.424 -3.494 1.00 0.00 C ATOM 376 CG1 VAL A 26 7.396 -7.443 -4.962 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.781 -8.464 -2.707 1.00 0.00 C ATOM 0 H VAL A 26 6.898 -5.184 -4.791 1.00 0.00 H new ATOM 0 HA VAL A 26 6.619 -5.930 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 26 5.938 -7.673 -3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.239 -8.442 -5.369 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.787 -6.727 -5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.448 -7.174 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.620 -9.449 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.843 -8.221 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.443 -8.467 -1.671 1.00 0.00 H new ATOM 387 N LEU A 27 8.971 -5.598 -1.284 1.00 0.00 N ATOM 388 CA LEU A 27 10.344 -5.407 -0.831 1.00 0.00 C ATOM 389 C LEU A 27 10.954 -6.727 -0.371 1.00 0.00 C ATOM 390 O LEU A 27 12.098 -7.043 -0.699 1.00 0.00 O ATOM 391 CB LEU A 27 10.389 -4.387 0.308 1.00 0.00 C ATOM 392 CG LEU A 27 9.677 -3.059 0.048 1.00 0.00 C ATOM 393 CD1 LEU A 27 10.292 -2.348 -1.147 1.00 0.00 C ATOM 394 CD2 LEU A 27 8.188 -3.286 -0.173 1.00 0.00 C ATOM 0 H LEU A 27 8.270 -5.528 -0.546 1.00 0.00 H new ATOM 0 HA LEU A 27 10.928 -5.031 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.951 -4.844 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.433 -4.177 0.540 1.00 0.00 H new ATOM 0 HG LEU A 27 9.802 -2.425 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.772 -1.405 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.346 -2.151 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.199 -2.977 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.698 -2.330 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.043 -3.939 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.756 -3.752 0.713 1.00 0.00 H new ATOM 406 N THR A 28 10.182 -7.496 0.390 1.00 0.00 N ATOM 407 CA THR A 28 10.646 -8.783 0.895 1.00 0.00 C ATOM 408 C THR A 28 9.512 -9.801 0.928 1.00 0.00 C ATOM 409 O THR A 28 8.331 -9.452 0.943 1.00 0.00 O ATOM 410 CB THR A 28 11.242 -8.650 2.309 1.00 0.00 C ATOM 411 OG1 THR A 28 10.596 -7.585 3.015 1.00 0.00 O ATOM 412 CG2 THR A 28 12.739 -8.385 2.242 1.00 0.00 C ATOM 0 H THR A 28 9.233 -7.250 0.670 1.00 0.00 H new ATOM 0 HA THR A 28 11.422 -9.129 0.213 1.00 0.00 H new ATOM 0 HB THR A 28 11.078 -9.589 2.838 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.980 -7.508 3.914 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.138 -8.295 3.252 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.232 -9.211 1.730 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.921 -7.459 1.696 1.00 0.00 H new ATOM 420 N PRO A 29 9.875 -11.092 0.940 1.00 0.00 N ATOM 421 CA PRO A 29 8.902 -12.188 0.973 1.00 0.00 C ATOM 422 C PRO A 29 8.175 -12.278 2.311 1.00 0.00 C ATOM 423 O PRO A 29 7.369 -13.183 2.532 1.00 0.00 O ATOM 424 CB PRO A 29 9.763 -13.434 0.747 1.00 0.00 C ATOM 425 CG PRO A 29 11.120 -13.048 1.225 1.00 0.00 C ATOM 426 CD PRO A 29 11.264 -11.582 0.924 1.00 0.00 C ATOM 0 HA PRO A 29 8.115 -12.057 0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.376 -14.289 1.302 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.780 -13.718 -0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.227 -13.239 2.293 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.892 -13.628 0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.877 -11.077 1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.738 -11.415 -0.043 1.00 0.00 H new ATOM 434 N THR A 30 8.465 -11.335 3.201 1.00 0.00 N ATOM 435 CA THR A 30 7.840 -11.308 4.517 1.00 0.00 C ATOM 436 C THR A 30 7.198 -9.953 4.794 1.00 0.00 C ATOM 437 O THR A 30 6.472 -9.786 5.775 1.00 0.00 O ATOM 438 CB THR A 30 8.859 -11.617 5.630 1.00 0.00 C ATOM 439 OG1 THR A 30 9.992 -10.749 5.512 1.00 0.00 O ATOM 440 CG2 THR A 30 9.315 -13.067 5.558 1.00 0.00 C ATOM 0 H THR A 30 9.129 -10.579 3.034 1.00 0.00 H new ATOM 0 HA THR A 30 7.069 -12.079 4.516 1.00 0.00 H new ATOM 0 HB THR A 30 8.374 -11.452 6.592 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.634 -10.951 6.224 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.034 -13.262 6.353 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.455 -13.725 5.677 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.783 -13.254 4.592 1.00 0.00 H new ATOM 448 N THR A 31 7.470 -8.986 3.923 1.00 0.00 N ATOM 449 CA THR A 31 6.920 -7.645 4.074 1.00 0.00 C ATOM 450 C THR A 31 6.667 -6.998 2.717 1.00 0.00 C ATOM 451 O THR A 31 7.388 -7.254 1.753 1.00 0.00 O ATOM 452 CB THR A 31 7.860 -6.741 4.894 1.00 0.00 C ATOM 453 OG1 THR A 31 8.198 -7.379 6.130 1.00 0.00 O ATOM 454 CG2 THR A 31 7.208 -5.395 5.175 1.00 0.00 C ATOM 0 H THR A 31 8.068 -9.107 3.106 1.00 0.00 H new ATOM 0 HA THR A 31 5.974 -7.750 4.605 1.00 0.00 H new ATOM 0 HB THR A 31 8.766 -6.574 4.312 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.797 -6.799 6.645 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.891 -4.774 5.755 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.978 -4.898 4.232 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.288 -5.547 5.739 1.00 0.00 H new ATOM 462 N VAL A 32 5.639 -6.158 2.649 1.00 0.00 N ATOM 463 CA VAL A 32 5.293 -5.473 1.410 1.00 0.00 C ATOM 464 C VAL A 32 4.785 -4.062 1.685 1.00 0.00 C ATOM 465 O VAL A 32 3.961 -3.852 2.575 1.00 0.00 O ATOM 466 CB VAL A 32 4.221 -6.248 0.621 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.708 -5.414 -0.544 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.776 -7.577 0.132 1.00 0.00 C ATOM 0 H VAL A 32 5.032 -5.936 3.438 1.00 0.00 H new ATOM 0 HA VAL A 32 6.204 -5.418 0.814 1.00 0.00 H new ATOM 0 HB VAL A 32 3.383 -6.453 1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.951 -5.978 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.270 -4.491 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.535 -5.175 -1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.005 -8.111 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.632 -7.397 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.089 -8.177 0.986 1.00 0.00 H new ATOM 478 N GLN A 33 5.281 -3.099 0.915 1.00 0.00 N ATOM 479 CA GLN A 33 4.877 -1.708 1.077 1.00 0.00 C ATOM 480 C GLN A 33 3.534 -1.449 0.403 1.00 0.00 C ATOM 481 O GLN A 33 3.179 -2.112 -0.572 1.00 0.00 O ATOM 482 CB GLN A 33 5.941 -0.775 0.496 1.00 0.00 C ATOM 483 CG GLN A 33 5.516 0.684 0.459 1.00 0.00 C ATOM 484 CD GLN A 33 6.384 1.522 -0.460 1.00 0.00 C ATOM 485 OE1 GLN A 33 7.176 0.991 -1.238 1.00 0.00 O ATOM 486 NE2 GLN A 33 6.238 2.839 -0.374 1.00 0.00 N ATOM 0 H GLN A 33 5.963 -3.257 0.173 1.00 0.00 H new ATOM 0 HA GLN A 33 4.772 -1.508 2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.853 -0.864 1.087 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.184 -1.100 -0.516 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.479 0.748 0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.557 1.096 1.467 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.569 3.236 0.286 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.795 3.454 -0.968 1.00 0.00 H new ATOM 495 N VAL A 34 2.790 -0.481 0.928 1.00 0.00 N ATOM 496 CA VAL A 34 1.486 -0.133 0.377 1.00 0.00 C ATOM 497 C VAL A 34 1.337 1.376 0.226 1.00 0.00 C ATOM 498 O VAL A 34 1.759 2.143 1.093 1.00 0.00 O ATOM 499 CB VAL A 34 0.343 -0.665 1.261 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.008 -0.339 0.643 1.00 0.00 C ATOM 501 CG2 VAL A 34 0.490 -2.164 1.478 1.00 0.00 C ATOM 0 H VAL A 34 3.069 0.077 1.735 1.00 0.00 H new ATOM 0 HA VAL A 34 1.423 -0.601 -0.606 1.00 0.00 H new ATOM 0 HB VAL A 34 0.400 -0.172 2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.803 -0.723 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.112 0.742 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.079 -0.802 -0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.326 -2.523 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.460 -2.676 0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.441 -2.369 1.969 1.00 0.00 H new ATOM 511 N THR A 35 0.733 1.799 -0.880 1.00 0.00 N ATOM 512 CA THR A 35 0.528 3.217 -1.145 1.00 0.00 C ATOM 513 C THR A 35 -0.808 3.460 -1.837 1.00 0.00 C ATOM 514 O THR A 35 -1.282 2.622 -2.604 1.00 0.00 O ATOM 515 CB THR A 35 1.658 3.794 -2.019 1.00 0.00 C ATOM 516 OG1 THR A 35 2.932 3.450 -1.462 1.00 0.00 O ATOM 517 CG2 THR A 35 1.538 5.307 -2.129 1.00 0.00 C ATOM 0 H THR A 35 0.377 1.179 -1.607 1.00 0.00 H new ATOM 0 HA THR A 35 0.531 3.722 -0.179 1.00 0.00 H new ATOM 0 HB THR A 35 1.571 3.365 -3.017 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.640 3.677 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.346 5.692 -2.751 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.580 5.564 -2.580 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.602 5.750 -1.135 1.00 0.00 H new ATOM 525 N TRP A 36 -1.411 4.611 -1.562 1.00 0.00 N ATOM 526 CA TRP A 36 -2.694 4.964 -2.160 1.00 0.00 C ATOM 527 C TRP A 36 -2.902 6.474 -2.149 1.00 0.00 C ATOM 528 O TRP A 36 -2.477 7.164 -1.222 1.00 0.00 O ATOM 529 CB TRP A 36 -3.835 4.273 -1.412 1.00 0.00 C ATOM 530 CG TRP A 36 -3.976 4.730 0.009 1.00 0.00 C ATOM 531 CD1 TRP A 36 -4.689 5.805 0.457 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.388 4.125 1.166 1.00 0.00 C ATOM 533 NE1 TRP A 36 -4.579 5.905 1.824 1.00 0.00 N ATOM 534 CE2 TRP A 36 -3.787 4.886 2.282 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.565 3.014 1.367 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.389 4.570 3.578 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.170 2.702 2.654 1.00 0.00 C ATOM 538 CH2 TRP A 36 -2.583 3.477 3.746 1.00 0.00 C ATOM 0 H TRP A 36 -1.033 5.316 -0.929 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.690 4.625 -3.196 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.770 4.458 -1.940 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.669 3.196 -1.425 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.256 6.477 -0.170 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.016 6.622 2.403 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.243 2.410 0.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.705 5.166 4.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.532 1.847 2.821 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.259 3.206 4.740 1.00 0.00 H new ATOM 549 N THR A 37 -3.561 6.984 -3.186 1.00 0.00 N ATOM 550 CA THR A 37 -3.825 8.413 -3.295 1.00 0.00 C ATOM 551 C THR A 37 -5.321 8.700 -3.260 1.00 0.00 C ATOM 552 O THR A 37 -6.133 7.864 -3.658 1.00 0.00 O ATOM 553 CB THR A 37 -3.232 8.996 -4.592 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.296 10.426 -4.561 1.00 0.00 O ATOM 555 CG2 THR A 37 -3.980 8.476 -5.810 1.00 0.00 C ATOM 0 H THR A 37 -3.921 6.428 -3.962 1.00 0.00 H new ATOM 0 HA THR A 37 -3.347 8.889 -2.439 1.00 0.00 H new ATOM 0 HB THR A 37 -2.191 8.681 -4.663 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.916 10.788 -5.388 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.544 8.901 -6.714 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.904 7.389 -5.847 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.029 8.764 -5.743 1.00 0.00 H new ATOM 563 N VAL A 38 -5.681 9.887 -2.783 1.00 0.00 N ATOM 564 CA VAL A 38 -7.081 10.285 -2.698 1.00 0.00 C ATOM 565 C VAL A 38 -7.299 11.661 -3.316 1.00 0.00 C ATOM 566 O VAL A 38 -6.584 12.614 -3.005 1.00 0.00 O ATOM 567 CB VAL A 38 -7.570 10.307 -1.237 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.275 8.980 -0.555 1.00 0.00 C ATOM 569 CG2 VAL A 38 -6.930 11.460 -0.479 1.00 0.00 C ATOM 0 H VAL A 38 -5.022 10.590 -2.449 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.655 9.545 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.650 10.456 -1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.627 9.014 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.785 8.177 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.201 8.797 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.286 11.461 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.846 11.344 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.198 12.403 -0.956 1.00 0.00 H new ATOM 579 N ASP A 39 -8.292 11.758 -4.193 1.00 0.00 N ATOM 580 CA ASP A 39 -8.607 13.019 -4.855 1.00 0.00 C ATOM 581 C ASP A 39 -9.116 14.048 -3.851 1.00 0.00 C ATOM 582 O ASP A 39 -8.674 15.197 -3.846 1.00 0.00 O ATOM 583 CB ASP A 39 -9.652 12.798 -5.951 1.00 0.00 C ATOM 584 CG ASP A 39 -9.100 12.016 -7.127 1.00 0.00 C ATOM 585 OD1 ASP A 39 -8.400 12.622 -7.966 1.00 0.00 O ATOM 586 OD2 ASP A 39 -9.367 10.800 -7.208 1.00 0.00 O ATOM 0 H ASP A 39 -8.893 10.979 -4.462 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.692 13.401 -5.308 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.506 12.265 -5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.018 13.763 -6.300 1.00 0.00 H new ATOM 591 N ARG A 40 -10.049 13.628 -3.002 1.00 0.00 N ATOM 592 CA ARG A 40 -10.619 14.514 -1.994 1.00 0.00 C ATOM 593 C ARG A 40 -10.443 13.931 -0.595 1.00 0.00 C ATOM 594 O ARG A 40 -11.216 13.073 -0.169 1.00 0.00 O ATOM 595 CB ARG A 40 -12.104 14.752 -2.276 1.00 0.00 C ATOM 596 CG ARG A 40 -12.364 15.534 -3.553 1.00 0.00 C ATOM 597 CD ARG A 40 -13.778 15.309 -4.066 1.00 0.00 C ATOM 598 NE ARG A 40 -14.118 16.223 -5.153 1.00 0.00 N ATOM 599 CZ ARG A 40 -14.323 17.524 -4.983 1.00 0.00 C ATOM 600 NH1 ARG A 40 -14.224 18.061 -3.775 1.00 0.00 N ATOM 601 NH2 ARG A 40 -14.629 18.291 -6.022 1.00 0.00 N ATOM 0 H ARG A 40 -10.426 12.680 -2.992 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.089 15.466 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.612 13.790 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.543 15.289 -1.435 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.208 16.597 -3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.647 15.234 -4.317 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.878 14.280 -4.413 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.486 15.440 -3.247 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.203 15.841 -6.095 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.990 17.475 -2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.382 19.061 -3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.707 17.881 -6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.786 19.290 -5.890 1.00 0.00 H new ATOM 615 N GLN A 41 -9.422 14.403 0.112 1.00 0.00 N ATOM 616 CA GLN A 41 -9.144 13.927 1.462 1.00 0.00 C ATOM 617 C GLN A 41 -10.277 14.297 2.414 1.00 0.00 C ATOM 618 O GLN A 41 -10.572 15.470 2.640 1.00 0.00 O ATOM 619 CB GLN A 41 -7.824 14.511 1.970 1.00 0.00 C ATOM 620 CG GLN A 41 -7.496 14.118 3.401 1.00 0.00 C ATOM 621 CD GLN A 41 -6.442 15.012 4.025 1.00 0.00 C ATOM 622 OE1 GLN A 41 -5.293 14.607 4.200 1.00 0.00 O ATOM 623 NE2 GLN A 41 -6.830 16.236 4.364 1.00 0.00 N ATOM 0 H GLN A 41 -8.774 15.114 -0.227 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.063 12.841 1.427 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.016 14.182 1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.867 15.598 1.901 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.404 14.159 4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.148 13.085 3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.793 16.529 4.200 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.165 16.883 4.788 1.00 0.00 H new ATOM 632 N PRO A 42 -10.928 13.273 2.985 1.00 0.00 N ATOM 633 CA PRO A 42 -12.039 13.465 3.922 1.00 0.00 C ATOM 634 C PRO A 42 -11.579 14.045 5.255 1.00 0.00 C ATOM 635 O PRO A 42 -10.468 13.775 5.709 1.00 0.00 O ATOM 636 CB PRO A 42 -12.589 12.050 4.116 1.00 0.00 C ATOM 637 CG PRO A 42 -11.437 11.153 3.823 1.00 0.00 C ATOM 638 CD PRO A 42 -10.630 11.848 2.762 1.00 0.00 C ATOM 0 HA PRO A 42 -12.774 14.174 3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.956 11.904 5.132 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.424 11.854 3.444 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.839 10.981 4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.780 10.178 3.476 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.565 11.639 2.866 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.922 11.528 1.762 1.00 0.00 H new ATOM 646 N GLN A 43 -12.442 14.843 5.877 1.00 0.00 N ATOM 647 CA GLN A 43 -12.122 15.461 7.159 1.00 0.00 C ATOM 648 C GLN A 43 -12.624 14.604 8.316 1.00 0.00 C ATOM 649 O GLN A 43 -11.892 14.342 9.271 1.00 0.00 O ATOM 650 CB GLN A 43 -12.736 16.860 7.241 1.00 0.00 C ATOM 651 CG GLN A 43 -11.926 17.923 6.516 1.00 0.00 C ATOM 652 CD GLN A 43 -12.363 19.331 6.868 1.00 0.00 C ATOM 653 OE1 GLN A 43 -13.508 19.716 6.630 1.00 0.00 O ATOM 654 NE2 GLN A 43 -11.451 20.109 7.439 1.00 0.00 N ATOM 0 H GLN A 43 -13.366 15.076 5.515 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.038 15.542 7.235 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.741 16.832 6.821 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.836 17.143 8.289 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.871 17.802 6.763 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.021 17.776 5.440 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.514 19.749 7.618 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.688 21.067 7.699 1.00 0.00 H new ATOM 663 N PHE A 44 -13.877 14.171 8.225 1.00 0.00 N ATOM 664 CA PHE A 44 -14.478 13.344 9.266 1.00 0.00 C ATOM 665 C PHE A 44 -13.700 12.043 9.443 1.00 0.00 C ATOM 666 O PHE A 44 -13.502 11.574 10.564 1.00 0.00 O ATOM 667 CB PHE A 44 -15.937 13.037 8.924 1.00 0.00 C ATOM 668 CG PHE A 44 -16.102 12.242 7.661 1.00 0.00 C ATOM 669 CD1 PHE A 44 -16.087 12.868 6.425 1.00 0.00 C ATOM 670 CD2 PHE A 44 -16.273 10.867 7.709 1.00 0.00 C ATOM 671 CE1 PHE A 44 -16.239 12.138 5.261 1.00 0.00 C ATOM 672 CE2 PHE A 44 -16.425 10.132 6.549 1.00 0.00 C ATOM 673 CZ PHE A 44 -16.408 10.769 5.323 1.00 0.00 C ATOM 0 H PHE A 44 -14.496 14.379 7.441 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.441 13.899 10.203 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.388 12.488 9.751 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.484 13.975 8.828 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.955 13.939 6.370 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.288 10.364 8.665 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -16.226 12.638 4.304 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -16.557 9.061 6.600 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.527 10.197 4.415 1.00 0.00 H new ATOM 683 N ILE A 45 -13.263 11.466 8.329 1.00 0.00 N ATOM 684 CA ILE A 45 -12.508 10.220 8.361 1.00 0.00 C ATOM 685 C ILE A 45 -11.641 10.134 9.613 1.00 0.00 C ATOM 686 O ILE A 45 -11.152 11.148 10.111 1.00 0.00 O ATOM 687 CB ILE A 45 -11.610 10.074 7.118 1.00 0.00 C ATOM 688 CG1 ILE A 45 -11.326 8.597 6.838 1.00 0.00 C ATOM 689 CG2 ILE A 45 -10.311 10.842 7.310 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.803 8.336 5.442 1.00 0.00 C ATOM 0 H ILE A 45 -13.419 11.841 7.393 1.00 0.00 H new ATOM 0 HA ILE A 45 -13.237 9.410 8.370 1.00 0.00 H new ATOM 0 HB ILE A 45 -12.133 10.493 6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.600 8.231 7.564 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.242 8.025 6.987 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.687 10.729 6.423 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.532 11.898 7.466 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.782 10.450 8.178 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.624 7.268 5.314 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.538 8.671 4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.870 8.880 5.295 1.00 0.00 H new ATOM 702 N GLN A 46 -11.455 8.918 10.115 1.00 0.00 N ATOM 703 CA GLN A 46 -10.646 8.700 11.308 1.00 0.00 C ATOM 704 C GLN A 46 -9.264 8.172 10.940 1.00 0.00 C ATOM 705 O GLN A 46 -8.296 8.370 11.674 1.00 0.00 O ATOM 706 CB GLN A 46 -11.345 7.720 12.252 1.00 0.00 C ATOM 707 CG GLN A 46 -12.273 8.393 13.250 1.00 0.00 C ATOM 708 CD GLN A 46 -11.528 9.000 14.423 1.00 0.00 C ATOM 709 OE1 GLN A 46 -10.664 8.360 15.022 1.00 0.00 O ATOM 710 NE2 GLN A 46 -11.860 10.242 14.756 1.00 0.00 N ATOM 0 H GLN A 46 -11.853 8.069 9.714 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.526 9.658 11.814 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.918 7.005 11.661 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.590 7.152 12.796 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.842 9.173 12.743 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.993 7.663 13.620 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.582 10.735 14.231 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.392 10.703 15.537 1.00 0.00 H new ATOM 719 N GLY A 47 -9.178 7.497 9.798 1.00 0.00 N ATOM 720 CA GLY A 47 -7.910 6.950 9.352 1.00 0.00 C ATOM 721 C GLY A 47 -8.014 6.270 8.001 1.00 0.00 C ATOM 722 O GLY A 47 -8.529 6.850 7.045 1.00 0.00 O ATOM 0 H GLY A 47 -9.964 7.319 9.173 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.172 7.750 9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.548 6.233 10.089 1.00 0.00 H new ATOM 726 N TYR A 48 -7.523 5.039 7.921 1.00 0.00 N ATOM 727 CA TYR A 48 -7.560 4.281 6.676 1.00 0.00 C ATOM 728 C TYR A 48 -7.356 2.792 6.938 1.00 0.00 C ATOM 729 O TYR A 48 -6.286 2.368 7.377 1.00 0.00 O ATOM 730 CB TYR A 48 -6.488 4.792 5.712 1.00 0.00 C ATOM 731 CG TYR A 48 -6.862 6.082 5.019 1.00 0.00 C ATOM 732 CD1 TYR A 48 -7.863 6.111 4.055 1.00 0.00 C ATOM 733 CD2 TYR A 48 -6.215 7.273 5.328 1.00 0.00 C ATOM 734 CE1 TYR A 48 -8.208 7.288 3.419 1.00 0.00 C ATOM 735 CE2 TYR A 48 -6.555 8.454 4.698 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.551 8.457 3.744 1.00 0.00 C ATOM 737 OH TYR A 48 -7.892 9.632 3.113 1.00 0.00 O ATOM 0 H TYR A 48 -7.095 4.544 8.703 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.542 4.420 6.224 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.558 4.941 6.261 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.294 4.028 4.959 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.380 5.198 3.799 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.433 7.275 6.073 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.988 7.293 2.672 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.043 9.371 4.951 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.336 10.362 3.457 1.00 0.00 H new ATOM 747 N ARG A 49 -8.390 2.002 6.666 1.00 0.00 N ATOM 748 CA ARG A 49 -8.325 0.560 6.872 1.00 0.00 C ATOM 749 C ARG A 49 -7.684 -0.132 5.673 1.00 0.00 C ATOM 750 O ARG A 49 -8.242 -0.139 4.575 1.00 0.00 O ATOM 751 CB ARG A 49 -9.726 -0.005 7.112 1.00 0.00 C ATOM 752 CG ARG A 49 -9.741 -1.499 7.392 1.00 0.00 C ATOM 753 CD ARG A 49 -10.947 -1.897 8.228 1.00 0.00 C ATOM 754 NE ARG A 49 -10.795 -1.510 9.628 1.00 0.00 N ATOM 755 CZ ARG A 49 -11.809 -1.428 10.482 1.00 0.00 C ATOM 756 NH1 ARG A 49 -13.042 -1.704 10.081 1.00 0.00 N ATOM 757 NH2 ARG A 49 -11.590 -1.069 11.741 1.00 0.00 N ATOM 0 H ARG A 49 -9.282 2.336 6.303 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.709 0.371 7.751 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.180 0.518 7.953 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.345 0.198 6.238 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.753 -2.047 6.450 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.826 -1.782 7.913 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.842 -1.430 7.818 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.092 -2.975 8.164 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.859 -1.291 9.969 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.214 -1.980 9.114 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.819 -1.640 10.739 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.643 -0.856 12.053 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.369 -1.006 12.396 1.00 0.00 H new ATOM 771 N VAL A 50 -6.510 -0.715 5.891 1.00 0.00 N ATOM 772 CA VAL A 50 -5.793 -1.411 4.829 1.00 0.00 C ATOM 773 C VAL A 50 -5.992 -2.919 4.929 1.00 0.00 C ATOM 774 O VAL A 50 -5.189 -3.623 5.540 1.00 0.00 O ATOM 775 CB VAL A 50 -4.285 -1.100 4.872 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.539 -1.923 3.833 1.00 0.00 C ATOM 777 CG2 VAL A 50 -4.042 0.387 4.661 1.00 0.00 C ATOM 0 H VAL A 50 -6.035 -0.719 6.794 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.203 -1.055 3.884 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.904 -1.372 5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.475 -1.689 3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.686 -2.984 4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.920 -1.686 2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.971 0.589 4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.438 0.686 3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.543 0.953 5.447 1.00 0.00 H new ATOM 787 N MET A 51 -7.069 -3.409 4.323 1.00 0.00 N ATOM 788 CA MET A 51 -7.374 -4.835 4.342 1.00 0.00 C ATOM 789 C MET A 51 -6.330 -5.624 3.559 1.00 0.00 C ATOM 790 O MET A 51 -5.645 -5.078 2.694 1.00 0.00 O ATOM 791 CB MET A 51 -8.765 -5.089 3.759 1.00 0.00 C ATOM 792 CG MET A 51 -9.875 -5.057 4.798 1.00 0.00 C ATOM 793 SD MET A 51 -11.519 -5.110 4.060 1.00 0.00 S ATOM 794 CE MET A 51 -11.616 -6.832 3.575 1.00 0.00 C ATOM 0 H MET A 51 -7.745 -2.840 3.813 1.00 0.00 H new ATOM 0 HA MET A 51 -7.356 -5.171 5.379 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.972 -4.340 2.995 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.770 -6.060 3.263 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.758 -5.903 5.475 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.779 -4.152 5.398 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.162 -6.915 2.635 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.610 -7.231 3.447 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.136 -7.399 4.348 1.00 0.00 H new ATOM 804 N TYR A 52 -6.213 -6.911 3.868 1.00 0.00 N ATOM 805 CA TYR A 52 -5.250 -7.774 3.195 1.00 0.00 C ATOM 806 C TYR A 52 -5.464 -9.235 3.581 1.00 0.00 C ATOM 807 O TYR A 52 -5.960 -9.534 4.667 1.00 0.00 O ATOM 808 CB TYR A 52 -3.822 -7.348 3.540 1.00 0.00 C ATOM 809 CG TYR A 52 -3.469 -7.538 4.998 1.00 0.00 C ATOM 810 CD1 TYR A 52 -4.027 -6.729 5.980 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.578 -8.528 5.393 1.00 0.00 C ATOM 812 CE1 TYR A 52 -3.707 -6.899 7.312 1.00 0.00 C ATOM 813 CE2 TYR A 52 -2.253 -8.707 6.724 1.00 0.00 C ATOM 814 CZ TYR A 52 -2.820 -7.889 7.680 1.00 0.00 C ATOM 815 OH TYR A 52 -2.499 -8.062 9.007 1.00 0.00 O ATOM 0 H TYR A 52 -6.773 -7.379 4.580 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.402 -7.675 2.120 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.124 -7.919 2.928 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.691 -6.298 3.277 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.723 -5.954 5.696 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.132 -9.169 4.647 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.149 -6.260 8.062 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.559 -9.482 7.014 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.862 -8.802 9.096 1.00 0.00 H new ATOM 825 N ARG A 53 -5.086 -10.139 2.684 1.00 0.00 N ATOM 826 CA ARG A 53 -5.236 -11.568 2.929 1.00 0.00 C ATOM 827 C ARG A 53 -4.525 -12.382 1.852 1.00 0.00 C ATOM 828 O ARG A 53 -4.009 -11.829 0.882 1.00 0.00 O ATOM 829 CB ARG A 53 -6.718 -11.946 2.975 1.00 0.00 C ATOM 830 CG ARG A 53 -7.376 -11.998 1.606 1.00 0.00 C ATOM 831 CD ARG A 53 -8.574 -12.934 1.599 1.00 0.00 C ATOM 832 NE ARG A 53 -9.029 -13.230 0.243 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.228 -13.730 -0.037 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.087 -13.988 0.939 1.00 0.00 N ATOM 835 NH2 ARG A 53 -10.569 -13.973 -1.296 1.00 0.00 N ATOM 0 H ARG A 53 -4.673 -9.907 1.780 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.780 -11.796 3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.821 -12.919 3.456 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.249 -11.225 3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.694 -10.997 1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.649 -12.330 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.311 -13.863 2.104 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.389 -12.483 2.165 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.392 -13.043 -0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.828 -13.803 1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.007 -14.372 0.721 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.911 -13.776 -2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.489 -14.357 -1.510 1.00 0.00 H new ATOM 849 N GLN A 54 -4.503 -13.699 2.032 1.00 0.00 N ATOM 850 CA GLN A 54 -3.854 -14.589 1.076 1.00 0.00 C ATOM 851 C GLN A 54 -4.842 -15.060 0.013 1.00 0.00 C ATOM 852 O GLN A 54 -6.044 -15.155 0.265 1.00 0.00 O ATOM 853 CB GLN A 54 -3.250 -15.795 1.798 1.00 0.00 C ATOM 854 CG GLN A 54 -2.189 -16.520 0.987 1.00 0.00 C ATOM 855 CD GLN A 54 -1.295 -17.394 1.845 1.00 0.00 C ATOM 856 OE1 GLN A 54 -0.447 -16.897 2.586 1.00 0.00 O ATOM 857 NE2 GLN A 54 -1.481 -18.705 1.749 1.00 0.00 N ATOM 0 H GLN A 54 -4.926 -14.173 2.830 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.056 -14.033 0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.812 -15.463 2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.047 -16.496 2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.674 -17.136 0.229 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.577 -15.788 0.459 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.196 -19.074 1.122 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.909 -19.343 2.302 1.00 0.00 H new ATOM 866 N THR A 55 -4.328 -15.353 -1.177 1.00 0.00 N ATOM 867 CA THR A 55 -5.164 -15.813 -2.278 1.00 0.00 C ATOM 868 C THR A 55 -5.116 -17.331 -2.410 1.00 0.00 C ATOM 869 O THR A 55 -6.151 -17.986 -2.532 1.00 0.00 O ATOM 870 CB THR A 55 -4.732 -15.179 -3.614 1.00 0.00 C ATOM 871 OG1 THR A 55 -3.308 -15.242 -3.748 1.00 0.00 O ATOM 872 CG2 THR A 55 -5.191 -13.731 -3.700 1.00 0.00 C ATOM 0 H THR A 55 -3.336 -15.280 -1.403 1.00 0.00 H new ATOM 0 HA THR A 55 -6.184 -15.504 -2.050 1.00 0.00 H new ATOM 0 HB THR A 55 -5.198 -15.740 -4.424 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.894 -14.590 -3.145 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.874 -13.305 -4.652 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.278 -13.689 -3.627 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.750 -13.160 -2.883 1.00 0.00 H new ATOM 880 N SER A 56 -3.908 -17.884 -2.383 1.00 0.00 N ATOM 881 CA SER A 56 -3.725 -19.326 -2.502 1.00 0.00 C ATOM 882 C SER A 56 -2.842 -19.856 -1.376 1.00 0.00 C ATOM 883 O SER A 56 -2.080 -19.108 -0.765 1.00 0.00 O ATOM 884 CB SER A 56 -3.105 -19.672 -3.858 1.00 0.00 C ATOM 885 OG SER A 56 -4.098 -19.759 -4.865 1.00 0.00 O ATOM 0 H SER A 56 -3.042 -17.356 -2.280 1.00 0.00 H new ATOM 0 HA SER A 56 -4.704 -19.800 -2.426 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.372 -18.913 -4.130 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.571 -20.620 -3.786 1.00 0.00 H new ATOM 0 HG SER A 56 -3.677 -19.979 -5.722 1.00 0.00 H new ATOM 891 N GLY A 57 -2.951 -21.154 -1.108 1.00 0.00 N ATOM 892 CA GLY A 57 -2.158 -21.764 -0.057 1.00 0.00 C ATOM 893 C GLY A 57 -3.015 -22.363 1.041 1.00 0.00 C ATOM 894 O GLY A 57 -3.866 -23.215 0.780 1.00 0.00 O ATOM 0 H GLY A 57 -3.575 -21.794 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.527 -22.542 -0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.492 -21.015 0.373 1.00 0.00 H new ATOM 898 N LEU A 58 -2.789 -21.920 2.273 1.00 0.00 N ATOM 899 CA LEU A 58 -3.546 -22.420 3.416 1.00 0.00 C ATOM 900 C LEU A 58 -4.542 -21.375 3.909 1.00 0.00 C ATOM 901 O LEU A 58 -5.731 -21.657 4.051 1.00 0.00 O ATOM 902 CB LEU A 58 -2.596 -22.810 4.550 1.00 0.00 C ATOM 903 CG LEU A 58 -3.097 -23.897 5.501 1.00 0.00 C ATOM 904 CD1 LEU A 58 -4.342 -23.428 6.239 1.00 0.00 C ATOM 905 CD2 LEU A 58 -3.379 -25.184 4.740 1.00 0.00 C ATOM 0 H LEU A 58 -2.088 -21.216 2.506 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.101 -23.301 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.656 -23.144 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.375 -21.917 5.135 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.317 -24.097 6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.684 -24.215 6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.107 -22.534 6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.127 -23.199 5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.735 -25.946 5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.140 -24.999 3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.464 -25.530 4.259 1.00 0.00 H new ATOM 917 N GLN A 59 -4.047 -20.168 4.165 1.00 0.00 N ATOM 918 CA GLN A 59 -4.895 -19.081 4.640 1.00 0.00 C ATOM 919 C GLN A 59 -5.636 -18.423 3.481 1.00 0.00 C ATOM 920 O GLN A 59 -6.192 -17.334 3.625 1.00 0.00 O ATOM 921 CB GLN A 59 -4.056 -18.039 5.382 1.00 0.00 C ATOM 922 CG GLN A 59 -3.313 -18.601 6.583 1.00 0.00 C ATOM 923 CD GLN A 59 -1.936 -19.125 6.225 1.00 0.00 C ATOM 924 OE1 GLN A 59 -1.574 -19.199 5.051 1.00 0.00 O ATOM 925 NE2 GLN A 59 -1.160 -19.493 7.238 1.00 0.00 N ATOM 0 H GLN A 59 -3.064 -19.919 4.052 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.631 -19.500 5.326 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.335 -17.605 4.689 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.707 -17.230 5.714 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.216 -17.824 7.341 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.900 -19.406 7.025 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.501 -19.415 8.196 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.223 -19.854 7.058 1.00 0.00 H new ATOM 934 N ALA A 60 -5.639 -19.090 2.331 1.00 0.00 N ATOM 935 CA ALA A 60 -6.313 -18.570 1.148 1.00 0.00 C ATOM 936 C ALA A 60 -7.813 -18.431 1.387 1.00 0.00 C ATOM 937 O ALA A 60 -8.443 -19.310 1.977 1.00 0.00 O ATOM 938 CB ALA A 60 -6.049 -19.472 -0.049 1.00 0.00 C ATOM 0 H ALA A 60 -5.182 -19.992 2.194 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.912 -17.579 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.558 -19.072 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.977 -19.517 -0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.422 -20.474 0.161 1.00 0.00 H new ATOM 944 N THR A 61 -8.381 -17.321 0.926 1.00 0.00 N ATOM 945 CA THR A 61 -9.806 -17.065 1.092 1.00 0.00 C ATOM 946 C THR A 61 -10.317 -17.637 2.409 1.00 0.00 C ATOM 947 O THR A 61 -11.438 -18.140 2.485 1.00 0.00 O ATOM 948 CB THR A 61 -10.623 -17.667 -0.067 1.00 0.00 C ATOM 949 OG1 THR A 61 -11.980 -17.217 0.004 1.00 0.00 O ATOM 950 CG2 THR A 61 -10.584 -19.187 -0.024 1.00 0.00 C ATOM 0 H THR A 61 -7.875 -16.584 0.434 1.00 0.00 H new ATOM 0 HA THR A 61 -9.935 -15.983 1.094 1.00 0.00 H new ATOM 0 HB THR A 61 -10.180 -17.334 -1.006 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.312 -17.322 0.920 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.168 -19.590 -0.852 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.552 -19.527 -0.109 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.004 -19.535 0.919 1.00 0.00 H new ATOM 958 N SER A 62 -9.489 -17.556 3.446 1.00 0.00 N ATOM 959 CA SER A 62 -9.857 -18.068 4.760 1.00 0.00 C ATOM 960 C SER A 62 -10.470 -16.967 5.620 1.00 0.00 C ATOM 961 O SER A 62 -11.460 -17.188 6.318 1.00 0.00 O ATOM 962 CB SER A 62 -8.632 -18.657 5.463 1.00 0.00 C ATOM 963 OG SER A 62 -9.008 -19.388 6.617 1.00 0.00 O ATOM 0 H SER A 62 -8.559 -17.140 3.401 1.00 0.00 H new ATOM 0 HA SER A 62 -10.600 -18.853 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.093 -19.309 4.776 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.949 -17.855 5.743 1.00 0.00 H new ATOM 0 HG SER A 62 -8.207 -19.755 7.047 1.00 0.00 H new ATOM 969 N SER A 63 -9.875 -15.781 5.564 1.00 0.00 N ATOM 970 CA SER A 63 -10.359 -14.645 6.340 1.00 0.00 C ATOM 971 C SER A 63 -9.579 -13.380 5.997 1.00 0.00 C ATOM 972 O SER A 63 -8.349 -13.390 5.952 1.00 0.00 O ATOM 973 CB SER A 63 -10.245 -14.938 7.838 1.00 0.00 C ATOM 974 OG SER A 63 -11.424 -15.552 8.328 1.00 0.00 O ATOM 0 H SER A 63 -9.056 -15.581 4.989 1.00 0.00 H new ATOM 0 HA SER A 63 -11.407 -14.484 6.087 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.390 -15.588 8.021 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.062 -14.010 8.380 1.00 0.00 H new ATOM 0 HG SER A 63 -11.812 -16.119 7.629 1.00 0.00 H new ATOM 980 N TRP A 64 -10.303 -12.293 5.756 1.00 0.00 N ATOM 981 CA TRP A 64 -9.679 -11.019 5.416 1.00 0.00 C ATOM 982 C TRP A 64 -9.259 -10.266 6.674 1.00 0.00 C ATOM 983 O TRP A 64 -9.978 -10.259 7.672 1.00 0.00 O ATOM 984 CB TRP A 64 -10.640 -10.161 4.591 1.00 0.00 C ATOM 985 CG TRP A 64 -10.596 -10.464 3.124 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.411 -11.319 2.439 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.688 -9.915 2.163 1.00 0.00 C ATOM 988 NE1 TRP A 64 -11.065 -11.335 1.109 1.00 0.00 N ATOM 989 CE2 TRP A 64 -10.011 -10.481 0.914 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.636 -8.999 2.234 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.318 -10.161 -0.250 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -7.948 -8.682 1.078 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.292 -9.261 -0.151 1.00 0.00 C ATOM 0 H TRP A 64 -11.322 -12.268 5.790 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.788 -11.226 4.824 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.656 -10.313 4.956 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.400 -9.109 4.745 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.210 -11.898 2.878 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.519 -11.892 0.385 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.365 -8.546 3.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.581 -10.607 -1.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.132 -7.976 1.123 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.737 -8.992 -1.037 1.00 0.00 H new ATOM 1004 N GLN A 65 -8.090 -9.635 6.618 1.00 0.00 N ATOM 1005 CA GLN A 65 -7.575 -8.880 7.754 1.00 0.00 C ATOM 1006 C GLN A 65 -7.732 -7.380 7.527 1.00 0.00 C ATOM 1007 O GLN A 65 -8.092 -6.942 6.435 1.00 0.00 O ATOM 1008 CB GLN A 65 -6.103 -9.220 7.994 1.00 0.00 C ATOM 1009 CG GLN A 65 -5.881 -10.637 8.496 1.00 0.00 C ATOM 1010 CD GLN A 65 -4.528 -11.192 8.096 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -3.694 -11.500 8.948 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -4.303 -11.324 6.794 1.00 0.00 N ATOM 0 H GLN A 65 -7.482 -9.632 5.799 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.153 -9.158 8.635 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.550 -9.082 7.065 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.690 -8.518 8.718 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.969 -10.652 9.582 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.665 -11.284 8.104 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.022 -11.056 6.122 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.411 -11.693 6.465 1.00 0.00 H new ATOM 1021 N ASN A 66 -7.461 -6.598 8.566 1.00 0.00 N ATOM 1022 CA ASN A 66 -7.573 -5.146 8.480 1.00 0.00 C ATOM 1023 C ASN A 66 -6.479 -4.466 9.298 1.00 0.00 C ATOM 1024 O ASN A 66 -6.332 -4.723 10.494 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.949 -4.690 8.970 1.00 0.00 C ATOM 1026 CG ASN A 66 -10.057 -5.634 8.544 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -10.780 -5.367 7.584 1.00 0.00 O ATOM 1028 ND2 ASN A 66 -10.194 -6.745 9.258 1.00 0.00 N ATOM 0 H ASN A 66 -7.162 -6.945 9.478 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.453 -4.859 7.435 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.938 -4.615 10.057 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.157 -3.692 8.583 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.922 -7.419 9.019 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.572 -6.925 10.046 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.714 -3.598 8.646 1.00 0.00 N ATOM 1036 CA LEU A 67 -4.633 -2.880 9.312 1.00 0.00 C ATOM 1037 C LEU A 67 -5.033 -1.436 9.598 1.00 0.00 C ATOM 1038 O LEU A 67 -5.034 -0.593 8.701 1.00 0.00 O ATOM 1039 CB LEU A 67 -3.368 -2.910 8.452 1.00 0.00 C ATOM 1040 CG LEU A 67 -2.081 -2.446 9.134 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -1.538 -3.535 10.047 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -1.040 -2.050 8.097 1.00 0.00 C ATOM 0 H LEU A 67 -5.822 -3.374 7.657 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.431 -3.376 10.261 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.219 -3.929 8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.535 -2.286 7.574 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.310 -1.571 9.742 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.622 -3.187 10.524 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.278 -3.771 10.812 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.325 -4.429 9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.131 -1.722 8.601 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.814 -2.907 7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.428 -1.237 7.484 1.00 0.00 H new ATOM 1054 N ASP A 68 -5.370 -1.158 10.852 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.769 0.184 11.257 1.00 0.00 C ATOM 1056 C ASP A 68 -4.554 1.100 11.375 1.00 0.00 C ATOM 1057 O ASP A 68 -3.891 1.138 12.412 1.00 0.00 O ATOM 1058 CB ASP A 68 -6.518 0.137 12.590 1.00 0.00 C ATOM 1059 CG ASP A 68 -5.882 -0.820 13.578 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -4.790 -0.501 14.095 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -6.475 -1.888 13.835 1.00 0.00 O ATOM 0 H ASP A 68 -5.375 -1.845 11.606 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.432 0.585 10.491 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.545 1.137 13.023 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.551 -0.162 12.413 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.267 1.835 10.306 1.00 0.00 N ATOM 1067 CA ALA A 69 -3.133 2.751 10.290 1.00 0.00 C ATOM 1068 C ALA A 69 -3.173 3.695 11.487 1.00 0.00 C ATOM 1069 O ALA A 69 -2.135 4.056 12.041 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.113 3.543 8.991 1.00 0.00 C ATOM 0 H ALA A 69 -4.804 1.814 9.439 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.219 2.160 10.357 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.261 4.223 8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.028 2.857 8.148 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.035 4.117 8.901 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.378 4.092 11.881 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.554 4.994 13.013 1.00 0.00 C ATOM 1078 C LYS A 70 -3.906 6.347 12.737 1.00 0.00 C ATOM 1079 O LYS A 70 -3.318 6.959 13.629 1.00 0.00 O ATOM 1080 CB LYS A 70 -3.956 4.379 14.280 1.00 0.00 C ATOM 1081 CG LYS A 70 -4.940 3.534 15.069 1.00 0.00 C ATOM 1082 CD LYS A 70 -5.694 4.366 16.093 1.00 0.00 C ATOM 1083 CE LYS A 70 -6.747 5.242 15.434 1.00 0.00 C ATOM 1084 NZ LYS A 70 -7.682 5.832 16.431 1.00 0.00 N ATOM 0 H LYS A 70 -5.248 3.803 11.433 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.623 5.146 13.161 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.100 3.763 14.005 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.582 5.178 14.920 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.649 3.066 14.386 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.406 2.729 15.575 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.170 3.707 16.819 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.991 4.992 16.643 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.258 6.042 14.878 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.311 4.651 14.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.384 6.422 15.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.168 5.070 16.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.147 6.417 17.105 1.00 0.00 H new ATOM 1098 N VAL A 71 -4.018 6.810 11.495 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.444 8.091 11.102 1.00 0.00 C ATOM 1100 C VAL A 71 -3.941 8.516 9.725 1.00 0.00 C ATOM 1101 O VAL A 71 -3.518 7.989 8.696 1.00 0.00 O ATOM 1102 CB VAL A 71 -1.905 8.037 11.087 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.422 6.776 10.387 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.335 9.279 10.419 1.00 0.00 C ATOM 0 H VAL A 71 -4.501 6.316 10.744 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.766 8.822 11.843 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.549 8.011 12.117 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.332 6.755 10.386 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.801 5.900 10.913 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.786 6.768 9.360 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.246 9.224 10.417 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.697 9.339 9.393 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.653 10.166 10.968 1.00 0.00 H new ATOM 1114 N PRO A 72 -4.859 9.494 9.702 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.432 10.012 8.457 1.00 0.00 C ATOM 1116 C PRO A 72 -4.421 10.810 7.641 1.00 0.00 C ATOM 1117 O PRO A 72 -4.634 11.078 6.458 1.00 0.00 O ATOM 1118 CB PRO A 72 -6.566 10.921 8.940 1.00 0.00 C ATOM 1119 CG PRO A 72 -6.161 11.334 10.313 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.408 10.168 10.891 1.00 0.00 C ATOM 0 HA PRO A 72 -5.761 9.211 7.796 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.687 11.785 8.286 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.520 10.393 8.950 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.536 12.226 10.284 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.033 11.576 10.921 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.619 10.495 11.568 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.063 9.509 11.460 1.00 0.00 H new ATOM 1128 N THR A 73 -3.318 11.187 8.280 1.00 0.00 N ATOM 1129 CA THR A 73 -2.273 11.955 7.614 1.00 0.00 C ATOM 1130 C THR A 73 -1.231 11.037 6.987 1.00 0.00 C ATOM 1131 O THR A 73 -0.107 11.455 6.713 1.00 0.00 O ATOM 1132 CB THR A 73 -1.572 12.916 8.592 1.00 0.00 C ATOM 1133 OG1 THR A 73 -1.007 12.179 9.682 1.00 0.00 O ATOM 1134 CG2 THR A 73 -2.549 13.953 9.126 1.00 0.00 C ATOM 0 H THR A 73 -3.125 10.973 9.258 1.00 0.00 H new ATOM 0 HA THR A 73 -2.759 12.537 6.831 1.00 0.00 H new ATOM 0 HB THR A 73 -0.778 13.433 8.053 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.562 12.797 10.299 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.031 14.620 9.815 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.955 14.532 8.296 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.362 13.451 9.650 1.00 0.00 H new ATOM 1142 N GLU A 74 -1.613 9.783 6.761 1.00 0.00 N ATOM 1143 CA GLU A 74 -0.709 8.806 6.165 1.00 0.00 C ATOM 1144 C GLU A 74 -1.396 8.050 5.032 1.00 0.00 C ATOM 1145 O GLU A 74 -2.530 7.592 5.174 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.217 7.820 7.227 1.00 0.00 C ATOM 1147 CG GLU A 74 1.066 8.255 7.913 1.00 0.00 C ATOM 1148 CD GLU A 74 2.308 7.783 7.182 1.00 0.00 C ATOM 1149 OE1 GLU A 74 2.396 6.574 6.881 1.00 0.00 O ATOM 1150 OE2 GLU A 74 3.191 8.623 6.911 1.00 0.00 O ATOM 0 H GLU A 74 -2.541 9.421 6.981 1.00 0.00 H new ATOM 0 HA GLU A 74 0.146 9.343 5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.995 7.691 7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.059 6.847 6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.084 9.342 7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.079 7.866 8.931 1.00 0.00 H new ATOM 1157 N ARG A 75 -0.701 7.923 3.906 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.244 7.224 2.748 1.00 0.00 C ATOM 1159 C ARG A 75 -0.323 6.085 2.319 1.00 0.00 C ATOM 1160 O ARG A 75 -0.299 5.700 1.150 1.00 0.00 O ATOM 1161 CB ARG A 75 -1.443 8.198 1.585 1.00 0.00 C ATOM 1162 CG ARG A 75 -2.815 8.852 1.567 1.00 0.00 C ATOM 1163 CD ARG A 75 -2.864 10.069 2.478 1.00 0.00 C ATOM 1164 NE ARG A 75 -2.040 11.164 1.973 1.00 0.00 N ATOM 1165 CZ ARG A 75 -2.450 12.028 1.051 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -3.668 11.924 0.536 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -1.642 12.998 0.643 1.00 0.00 N ATOM 0 H ARG A 75 0.239 8.295 3.771 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.209 6.802 3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.680 8.975 1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.291 7.666 0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.065 9.148 0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.568 8.130 1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.896 10.407 2.576 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.524 9.789 3.475 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.098 11.271 2.349 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.292 11.180 0.848 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.981 12.588 -0.172 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.705 13.081 1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.958 13.661 -0.065 1.00 0.00 H new ATOM 1181 N SER A 76 0.434 5.552 3.272 1.00 0.00 N ATOM 1182 CA SER A 76 1.360 4.461 2.993 1.00 0.00 C ATOM 1183 C SER A 76 1.545 3.577 4.222 1.00 0.00 C ATOM 1184 O SER A 76 1.768 4.070 5.327 1.00 0.00 O ATOM 1185 CB SER A 76 2.713 5.015 2.541 1.00 0.00 C ATOM 1186 OG SER A 76 3.306 5.804 3.557 1.00 0.00 O ATOM 0 H SER A 76 0.424 5.858 4.245 1.00 0.00 H new ATOM 0 HA SER A 76 0.937 3.855 2.192 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.378 4.192 2.281 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.581 5.615 1.641 1.00 0.00 H new ATOM 0 HG SER A 76 2.891 5.593 4.419 1.00 0.00 H new ATOM 1192 N ALA A 77 1.450 2.266 4.020 1.00 0.00 N ATOM 1193 CA ALA A 77 1.608 1.312 5.111 1.00 0.00 C ATOM 1194 C ALA A 77 2.495 0.144 4.694 1.00 0.00 C ATOM 1195 O ALA A 77 2.707 -0.094 3.505 1.00 0.00 O ATOM 1196 CB ALA A 77 0.249 0.807 5.572 1.00 0.00 C ATOM 0 H ALA A 77 1.265 1.841 3.111 1.00 0.00 H new ATOM 0 HA ALA A 77 2.093 1.825 5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.383 0.096 6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.353 1.647 5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.258 0.316 4.741 1.00 0.00 H new ATOM 1202 N VAL A 78 3.012 -0.582 5.680 1.00 0.00 N ATOM 1203 CA VAL A 78 3.877 -1.726 5.415 1.00 0.00 C ATOM 1204 C VAL A 78 3.368 -2.975 6.126 1.00 0.00 C ATOM 1205 O VAL A 78 3.545 -3.129 7.336 1.00 0.00 O ATOM 1206 CB VAL A 78 5.325 -1.449 5.859 1.00 0.00 C ATOM 1207 CG1 VAL A 78 6.193 -2.680 5.645 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.892 -0.252 5.111 1.00 0.00 C ATOM 0 H VAL A 78 2.847 -0.398 6.670 1.00 0.00 H new ATOM 0 HA VAL A 78 3.861 -1.893 4.338 1.00 0.00 H new ATOM 0 HB VAL A 78 5.322 -1.215 6.924 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.213 -2.466 5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.797 -3.511 6.229 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.192 -2.947 4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.916 -0.071 5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.883 -0.455 4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.284 0.628 5.319 1.00 0.00 H new ATOM 1218 N LEU A 79 2.737 -3.865 5.369 1.00 0.00 N ATOM 1219 CA LEU A 79 2.203 -5.103 5.926 1.00 0.00 C ATOM 1220 C LEU A 79 3.321 -6.102 6.203 1.00 0.00 C ATOM 1221 O LEU A 79 3.959 -6.608 5.279 1.00 0.00 O ATOM 1222 CB LEU A 79 1.180 -5.717 4.969 1.00 0.00 C ATOM 1223 CG LEU A 79 0.043 -4.797 4.522 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.529 -5.263 3.192 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -1.046 -4.742 5.583 1.00 0.00 C ATOM 0 H LEU A 79 2.582 -3.753 4.367 1.00 0.00 H new ATOM 0 HA LEU A 79 1.711 -4.865 6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.707 -6.068 4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.744 -6.594 5.448 1.00 0.00 H new ATOM 0 HG LEU A 79 0.445 -3.792 4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.337 -4.596 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.255 -5.250 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.915 -6.277 3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.847 -4.083 5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.445 -5.743 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.628 -4.361 6.514 1.00 0.00 H new ATOM 1237 N VAL A 80 3.553 -6.385 7.481 1.00 0.00 N ATOM 1238 CA VAL A 80 4.592 -7.327 7.880 1.00 0.00 C ATOM 1239 C VAL A 80 3.988 -8.653 8.328 1.00 0.00 C ATOM 1240 O VAL A 80 2.771 -8.786 8.442 1.00 0.00 O ATOM 1241 CB VAL A 80 5.457 -6.758 9.021 1.00 0.00 C ATOM 1242 CG1 VAL A 80 6.143 -5.474 8.581 1.00 0.00 C ATOM 1243 CG2 VAL A 80 4.612 -6.522 10.263 1.00 0.00 C ATOM 0 H VAL A 80 3.035 -5.975 8.258 1.00 0.00 H new ATOM 0 HA VAL A 80 5.221 -7.494 7.006 1.00 0.00 H new ATOM 0 HB VAL A 80 6.228 -7.488 9.268 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.749 -5.087 9.400 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.782 -5.679 7.722 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.390 -4.735 8.306 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.239 -6.120 11.059 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.818 -5.812 10.033 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.173 -7.465 10.589 1.00 0.00 H new ATOM 1253 N ASN A 81 4.850 -9.633 8.580 1.00 0.00 N ATOM 1254 CA ASN A 81 4.401 -10.951 9.016 1.00 0.00 C ATOM 1255 C ASN A 81 3.549 -11.618 7.941 1.00 0.00 C ATOM 1256 O ASN A 81 2.473 -12.147 8.225 1.00 0.00 O ATOM 1257 CB ASN A 81 3.605 -10.838 10.317 1.00 0.00 C ATOM 1258 CG ASN A 81 4.486 -10.947 11.546 1.00 0.00 C ATOM 1259 OD1 ASN A 81 5.487 -11.664 11.544 1.00 0.00 O ATOM 1260 ND2 ASN A 81 4.117 -10.234 12.604 1.00 0.00 N ATOM 0 H ASN A 81 5.862 -9.540 8.490 1.00 0.00 H new ATOM 0 HA ASN A 81 5.282 -11.568 9.191 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.077 -9.884 10.335 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.848 -11.622 10.346 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.671 -10.267 13.460 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.280 -9.653 12.561 1.00 0.00 H new ATOM 1267 N LEU A 82 4.036 -11.590 6.705 1.00 0.00 N ATOM 1268 CA LEU A 82 3.320 -12.193 5.586 1.00 0.00 C ATOM 1269 C LEU A 82 3.961 -13.516 5.178 1.00 0.00 C ATOM 1270 O LEU A 82 5.044 -13.865 5.649 1.00 0.00 O ATOM 1271 CB LEU A 82 3.297 -11.235 4.394 1.00 0.00 C ATOM 1272 CG LEU A 82 2.600 -9.893 4.624 1.00 0.00 C ATOM 1273 CD1 LEU A 82 2.823 -8.966 3.439 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.113 -10.100 4.870 1.00 0.00 C ATOM 0 H LEU A 82 4.924 -11.156 6.452 1.00 0.00 H new ATOM 0 HA LEU A 82 2.297 -12.390 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.326 -11.040 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.808 -11.737 3.559 1.00 0.00 H new ATOM 0 HG LEU A 82 3.033 -9.427 5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.320 -8.016 3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.891 -8.792 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.418 -9.425 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.633 -9.135 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.665 -10.587 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.974 -10.726 5.751 1.00 0.00 H new ATOM 1286 N LYS A 83 3.286 -14.248 4.298 1.00 0.00 N ATOM 1287 CA LYS A 83 3.790 -15.530 3.823 1.00 0.00 C ATOM 1288 C LYS A 83 4.724 -15.341 2.631 1.00 0.00 C ATOM 1289 O LYS A 83 4.597 -14.375 1.878 1.00 0.00 O ATOM 1290 CB LYS A 83 2.627 -16.446 3.432 1.00 0.00 C ATOM 1291 CG LYS A 83 2.962 -17.925 3.520 1.00 0.00 C ATOM 1292 CD LYS A 83 3.521 -18.448 2.207 1.00 0.00 C ATOM 1293 CE LYS A 83 3.187 -19.919 2.007 1.00 0.00 C ATOM 1294 NZ LYS A 83 3.809 -20.464 0.768 1.00 0.00 N ATOM 0 H LYS A 83 2.388 -13.974 3.899 1.00 0.00 H new ATOM 0 HA LYS A 83 4.353 -15.993 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.776 -16.236 4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.318 -16.212 2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.688 -18.088 4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.066 -18.487 3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.115 -17.866 1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.603 -18.314 2.191 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.532 -20.490 2.869 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.105 -20.042 1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.103 -21.448 0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.119 -20.433 -0.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.640 -19.892 0.516 1.00 0.00 H new ATOM 1308 N LYS A 84 5.660 -16.268 2.466 1.00 0.00 N ATOM 1309 CA LYS A 84 6.614 -16.205 1.365 1.00 0.00 C ATOM 1310 C LYS A 84 6.270 -17.230 0.288 1.00 0.00 C ATOM 1311 O LYS A 84 6.140 -18.421 0.570 1.00 0.00 O ATOM 1312 CB LYS A 84 8.035 -16.447 1.879 1.00 0.00 C ATOM 1313 CG LYS A 84 8.157 -17.662 2.781 1.00 0.00 C ATOM 1314 CD LYS A 84 7.914 -17.302 4.238 1.00 0.00 C ATOM 1315 CE LYS A 84 9.171 -16.750 4.892 1.00 0.00 C ATOM 1316 NZ LYS A 84 10.196 -17.808 5.105 1.00 0.00 N ATOM 0 H LYS A 84 5.779 -17.073 3.081 1.00 0.00 H new ATOM 0 HA LYS A 84 6.558 -15.209 0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.704 -16.569 1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.370 -15.565 2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.440 -18.422 2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.150 -18.098 2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.114 -16.564 4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.578 -18.185 4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.589 -15.960 4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.913 -16.296 5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.891 -17.482 5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.735 -18.674 5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.680 -18.009 4.206 1.00 0.00 H new ATOM 1330 N GLY A 85 6.126 -16.759 -0.947 1.00 0.00 N ATOM 1331 CA GLY A 85 5.800 -17.648 -2.046 1.00 0.00 C ATOM 1332 C GLY A 85 4.307 -17.759 -2.279 1.00 0.00 C ATOM 1333 O GLY A 85 3.760 -18.861 -2.338 1.00 0.00 O ATOM 0 H GLY A 85 6.229 -15.778 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.281 -17.288 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.207 -18.638 -1.841 1.00 0.00 H new ATOM 1337 N VAL A 86 3.643 -16.615 -2.411 1.00 0.00 N ATOM 1338 CA VAL A 86 2.203 -16.588 -2.638 1.00 0.00 C ATOM 1339 C VAL A 86 1.710 -15.165 -2.872 1.00 0.00 C ATOM 1340 O VAL A 86 2.259 -14.207 -2.325 1.00 0.00 O ATOM 1341 CB VAL A 86 1.436 -17.197 -1.449 1.00 0.00 C ATOM 1342 CG1 VAL A 86 1.742 -16.434 -0.169 1.00 0.00 C ATOM 1343 CG2 VAL A 86 -0.059 -17.207 -1.729 1.00 0.00 C ATOM 0 H VAL A 86 4.080 -15.694 -2.365 1.00 0.00 H new ATOM 0 HA VAL A 86 2.012 -17.186 -3.529 1.00 0.00 H new ATOM 0 HB VAL A 86 1.765 -18.228 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.191 -16.878 0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.811 -16.484 0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.443 -15.392 -0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.586 -17.641 -0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.406 -16.186 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.258 -17.802 -2.621 1.00 0.00 H new ATOM 1353 N THR A 87 0.670 -15.031 -3.689 1.00 0.00 N ATOM 1354 CA THR A 87 0.102 -13.725 -3.996 1.00 0.00 C ATOM 1355 C THR A 87 -0.786 -13.230 -2.861 1.00 0.00 C ATOM 1356 O THR A 87 -1.467 -14.018 -2.204 1.00 0.00 O ATOM 1357 CB THR A 87 -0.720 -13.762 -5.298 1.00 0.00 C ATOM 1358 OG1 THR A 87 -0.117 -14.662 -6.234 1.00 0.00 O ATOM 1359 CG2 THR A 87 -0.822 -12.375 -5.914 1.00 0.00 C ATOM 0 H THR A 87 0.204 -15.812 -4.150 1.00 0.00 H new ATOM 0 HA THR A 87 0.939 -13.039 -4.123 1.00 0.00 H new ATOM 0 HB THR A 87 -1.724 -14.110 -5.057 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.647 -14.681 -7.058 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.407 -12.427 -6.832 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.309 -11.700 -5.211 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.177 -12.003 -6.141 1.00 0.00 H new ATOM 1367 N TYR A 88 -0.775 -11.921 -2.635 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.580 -11.321 -1.577 1.00 0.00 C ATOM 1369 C TYR A 88 -2.415 -10.164 -2.116 1.00 0.00 C ATOM 1370 O TYR A 88 -1.882 -9.220 -2.699 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.681 -10.830 -0.441 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.439 -11.868 0.632 1.00 0.00 C ATOM 1373 CD1 TYR A 88 0.622 -12.759 0.538 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -1.273 -11.956 1.741 1.00 0.00 C ATOM 1375 CE1 TYR A 88 0.846 -13.709 1.516 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -1.056 -12.902 2.724 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.004 -13.777 2.607 1.00 0.00 C ATOM 1378 OH TYR A 88 0.225 -14.721 3.583 1.00 0.00 O ATOM 0 H TYR A 88 -0.218 -11.255 -3.170 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.257 -12.084 -1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.278 -10.519 -0.856 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.133 -9.948 0.014 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.283 -12.709 -0.314 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.104 -11.273 1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.676 -14.395 1.427 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.713 -12.956 3.580 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.325 -15.512 3.403 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.726 -10.246 -1.917 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.636 -9.206 -2.383 1.00 0.00 C ATOM 1390 C GLU A 89 -4.880 -8.167 -1.292 1.00 0.00 C ATOM 1391 O GLU A 89 -5.267 -8.506 -0.174 1.00 0.00 O ATOM 1392 CB GLU A 89 -5.966 -9.820 -2.824 1.00 0.00 C ATOM 1393 CG GLU A 89 -6.925 -8.817 -3.441 1.00 0.00 C ATOM 1394 CD GLU A 89 -8.227 -9.453 -3.889 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -8.175 -10.433 -4.660 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -9.298 -8.970 -3.466 1.00 0.00 O ATOM 0 H GLU A 89 -4.182 -11.021 -1.436 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.173 -8.710 -3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.769 -10.613 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.445 -10.285 -1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.139 -8.032 -2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.445 -8.340 -4.296 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.650 -6.902 -1.626 1.00 0.00 N ATOM 1404 CA ILE A 90 -4.845 -5.814 -0.676 1.00 0.00 C ATOM 1405 C ILE A 90 -5.648 -4.677 -1.299 1.00 0.00 C ATOM 1406 O ILE A 90 -5.521 -4.392 -2.490 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.500 -5.260 -0.171 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.567 -6.406 0.224 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -3.722 -4.321 1.005 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -1.101 -6.086 0.032 1.00 0.00 C ATOM 0 H ILE A 90 -4.328 -6.605 -2.547 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.399 -6.227 0.167 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.031 -4.696 -0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.741 -6.661 1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.818 -7.288 -0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.762 -3.938 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.354 -3.489 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.210 -4.862 1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.499 -6.944 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.912 -5.860 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.834 -5.224 0.643 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.475 -4.030 -0.485 1.00 0.00 N ATOM 1423 CA LYS A 91 -7.298 -2.921 -0.954 1.00 0.00 C ATOM 1424 C LYS A 91 -7.450 -1.859 0.130 1.00 0.00 C ATOM 1425 O LYS A 91 -7.589 -2.179 1.311 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.677 -3.428 -1.383 1.00 0.00 C ATOM 1427 CG LYS A 91 -9.609 -3.714 -0.218 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.299 -5.055 0.428 1.00 0.00 C ATOM 1429 CE LYS A 91 -9.751 -6.213 -0.448 1.00 0.00 C ATOM 1430 NZ LYS A 91 -11.156 -6.614 -0.157 1.00 0.00 N ATOM 0 H LYS A 91 -6.593 -4.254 0.503 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.800 -2.470 -1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.140 -2.688 -2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.554 -4.338 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.518 -2.922 0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.642 -3.707 -0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.227 -5.133 0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.793 -5.116 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.664 -5.930 -1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.090 -7.066 -0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.522 -7.190 -0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.184 -7.169 0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.744 -5.763 -0.048 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.424 -0.595 -0.278 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.562 0.514 0.659 1.00 0.00 C ATOM 1446 C VAL A 92 -8.921 1.190 0.515 1.00 0.00 C ATOM 1447 O VAL A 92 -9.463 1.288 -0.586 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.454 1.564 0.452 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -6.649 2.740 1.397 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.082 0.936 0.646 1.00 0.00 C ATOM 0 H VAL A 92 -7.309 -0.313 -1.251 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.473 0.095 1.661 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.517 1.936 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.857 3.471 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.616 3.205 1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.614 2.388 2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.311 1.692 0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.005 0.535 1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.945 0.130 -0.075 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.465 1.655 1.634 1.00 0.00 N ATOM 1461 CA ARG A 93 -10.762 2.322 1.633 1.00 0.00 C ATOM 1462 C ARG A 93 -10.935 3.177 2.885 1.00 0.00 C ATOM 1463 O ARG A 93 -10.533 2.798 3.986 1.00 0.00 O ATOM 1464 CB ARG A 93 -11.889 1.291 1.548 1.00 0.00 C ATOM 1465 CG ARG A 93 -11.923 0.327 2.723 1.00 0.00 C ATOM 1466 CD ARG A 93 -12.774 -0.895 2.416 1.00 0.00 C ATOM 1467 NE ARG A 93 -14.153 -0.536 2.095 1.00 0.00 N ATOM 1468 CZ ARG A 93 -15.119 -1.427 1.904 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -14.859 -2.724 2.003 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -16.349 -1.022 1.615 1.00 0.00 N ATOM 0 H ARG A 93 -9.028 1.583 2.553 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.807 2.973 0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.844 1.813 1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -11.780 0.722 0.625 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.908 0.013 2.967 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -12.319 0.836 3.602 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -12.337 -1.440 1.579 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -12.765 -1.568 3.274 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.387 0.453 2.013 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.915 -3.039 2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -15.603 -3.406 1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -16.553 -0.026 1.539 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -17.090 -1.707 1.468 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.545 4.359 2.715 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.785 5.293 3.819 1.00 0.00 C ATOM 1486 C PRO A 94 -12.838 4.778 4.795 1.00 0.00 C ATOM 1487 O PRO A 94 -13.754 4.052 4.409 1.00 0.00 O ATOM 1488 CB PRO A 94 -12.282 6.557 3.114 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.868 6.070 1.833 1.00 0.00 C ATOM 1490 CD PRO A 94 -12.050 4.875 1.431 1.00 0.00 C ATOM 0 HA PRO A 94 -10.891 5.449 4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.025 7.080 3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -11.466 7.258 2.935 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.916 5.800 1.961 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.830 6.845 1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.653 4.132 0.909 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.236 5.152 0.761 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.701 5.159 6.060 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.640 4.735 7.092 1.00 0.00 C ATOM 1500 C TYR A 95 -13.631 5.704 8.270 1.00 0.00 C ATOM 1501 O TYR A 95 -12.591 6.262 8.621 1.00 0.00 O ATOM 1502 CB TYR A 95 -13.296 3.325 7.575 1.00 0.00 C ATOM 1503 CG TYR A 95 -12.333 3.302 8.741 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.749 3.665 10.017 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -11.009 2.920 8.567 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -11.873 3.647 11.085 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -10.127 2.897 9.630 1.00 0.00 C ATOM 1508 CZ TYR A 95 -10.563 3.262 10.887 1.00 0.00 C ATOM 1509 OH TYR A 95 -9.687 3.242 11.948 1.00 0.00 O ATOM 0 H TYR A 95 -11.949 5.761 6.396 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.640 4.730 6.657 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -14.215 2.815 7.864 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.865 2.762 6.747 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.774 3.966 10.176 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.663 2.636 7.584 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.212 3.933 12.070 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.101 2.595 9.478 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.805 2.947 11.639 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.797 5.900 8.876 1.00 0.00 N ATOM 1520 CA PHE A 96 -14.925 6.802 10.014 1.00 0.00 C ATOM 1521 C PHE A 96 -14.949 6.023 11.326 1.00 0.00 C ATOM 1522 O PHE A 96 -14.037 6.137 12.144 1.00 0.00 O ATOM 1523 CB PHE A 96 -16.197 7.643 9.885 1.00 0.00 C ATOM 1524 CG PHE A 96 -16.347 8.674 10.967 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -15.342 9.598 11.206 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -17.491 8.717 11.747 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -15.477 10.548 12.201 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -17.632 9.665 12.742 1.00 0.00 C ATOM 1529 CZ PHE A 96 -16.623 10.581 12.971 1.00 0.00 C ATOM 0 H PHE A 96 -15.667 5.446 8.598 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.059 7.464 10.020 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.196 8.142 8.916 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -17.063 6.982 9.902 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.443 9.576 10.608 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -18.282 8.001 11.575 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.687 11.264 12.376 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.531 9.690 13.341 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.730 11.321 13.750 1.00 0.00 H new ATOM 1539 N ASN A 97 -15.998 5.231 11.518 1.00 0.00 N ATOM 1540 CA ASN A 97 -16.142 4.433 12.730 1.00 0.00 C ATOM 1541 C ASN A 97 -16.143 2.942 12.404 1.00 0.00 C ATOM 1542 O ASN A 97 -15.290 2.193 12.878 1.00 0.00 O ATOM 1543 CB ASN A 97 -17.433 4.807 13.462 1.00 0.00 C ATOM 1544 CG ASN A 97 -17.247 5.986 14.397 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -16.226 6.672 14.353 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -18.236 6.227 15.249 1.00 0.00 N ATOM 0 H ASN A 97 -16.761 5.124 10.850 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.291 4.645 13.377 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.206 5.045 12.731 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.787 3.947 14.031 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.168 7.007 15.902 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.064 5.632 15.250 1.00 0.00 H new ATOM 1553 N GLU A 98 -17.106 2.521 11.591 1.00 0.00 N ATOM 1554 CA GLU A 98 -17.217 1.120 11.201 1.00 0.00 C ATOM 1555 C GLU A 98 -17.375 0.986 9.689 1.00 0.00 C ATOM 1556 O GLU A 98 -16.646 0.234 9.042 1.00 0.00 O ATOM 1557 CB GLU A 98 -18.405 0.463 11.909 1.00 0.00 C ATOM 1558 CG GLU A 98 -19.712 1.217 11.730 1.00 0.00 C ATOM 1559 CD GLU A 98 -20.798 0.731 12.670 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -21.132 -0.471 12.618 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -21.315 1.552 13.456 1.00 0.00 O ATOM 0 H GLU A 98 -17.820 3.129 11.190 1.00 0.00 H new ATOM 0 HA GLU A 98 -16.299 0.613 11.499 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.526 -0.552 11.531 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -18.184 0.383 12.973 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.540 2.280 11.898 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -20.052 1.108 10.700 1.00 0.00 H new ATOM 1568 N PHE A 99 -18.332 1.721 9.133 1.00 0.00 N ATOM 1569 CA PHE A 99 -18.588 1.684 7.698 1.00 0.00 C ATOM 1570 C PHE A 99 -17.309 1.953 6.911 1.00 0.00 C ATOM 1571 O PHE A 99 -16.294 2.358 7.477 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.657 2.712 7.322 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.518 4.016 8.054 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -20.126 4.203 9.285 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -18.780 5.056 7.511 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -20.000 5.402 9.961 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -18.649 6.256 8.183 1.00 0.00 C ATOM 1578 CZ PHE A 99 -19.261 6.430 9.409 1.00 0.00 C ATOM 0 H PHE A 99 -18.943 2.350 9.654 1.00 0.00 H new ATOM 0 HA PHE A 99 -18.948 0.687 7.444 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.608 2.900 6.249 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.642 2.292 7.528 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -20.705 3.403 9.721 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -18.302 4.927 6.551 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -20.479 5.535 10.920 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -18.069 7.057 7.750 1.00 0.00 H new ATOM 0 HZ PHE A 99 -19.162 7.368 9.935 1.00 0.00 H new ATOM 1588 N GLN A 100 -17.367 1.724 5.603 1.00 0.00 N ATOM 1589 CA GLN A 100 -16.213 1.940 4.738 1.00 0.00 C ATOM 1590 C GLN A 100 -16.645 2.479 3.378 1.00 0.00 C ATOM 1591 O GLN A 100 -17.537 1.927 2.735 1.00 0.00 O ATOM 1592 CB GLN A 100 -15.432 0.637 4.559 1.00 0.00 C ATOM 1593 CG GLN A 100 -15.058 -0.034 5.871 1.00 0.00 C ATOM 1594 CD GLN A 100 -14.074 -1.172 5.684 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -12.870 -0.952 5.552 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -14.583 -2.399 5.674 1.00 0.00 N ATOM 0 H GLN A 100 -18.200 1.389 5.119 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.568 2.679 5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.028 -0.055 3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -14.523 0.843 3.994 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.627 0.707 6.544 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -15.960 -0.414 6.351 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -15.588 -2.535 5.787 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.969 -3.205 5.553 1.00 0.00 H new ATOM 1605 N GLY A 101 -16.006 3.562 2.946 1.00 0.00 N ATOM 1606 CA GLY A 101 -16.339 4.158 1.665 1.00 0.00 C ATOM 1607 C GLY A 101 -16.398 3.135 0.548 1.00 0.00 C ATOM 1608 O GLY A 101 -17.389 2.420 0.405 1.00 0.00 O ATOM 0 H GLY A 101 -15.264 4.037 3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -17.302 4.663 1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.599 4.919 1.418 1.00 0.00 H new ATOM 1612 N MET A 102 -15.335 3.066 -0.247 1.00 0.00 N ATOM 1613 CA MET A 102 -15.272 2.124 -1.358 1.00 0.00 C ATOM 1614 C MET A 102 -13.919 1.419 -1.396 1.00 0.00 C ATOM 1615 O MET A 102 -12.887 2.020 -1.098 1.00 0.00 O ATOM 1616 CB MET A 102 -15.521 2.846 -2.683 1.00 0.00 C ATOM 1617 CG MET A 102 -16.941 3.368 -2.833 1.00 0.00 C ATOM 1618 SD MET A 102 -17.355 3.774 -4.540 1.00 0.00 S ATOM 1619 CE MET A 102 -16.050 4.934 -4.938 1.00 0.00 C ATOM 0 H MET A 102 -14.506 3.651 -0.142 1.00 0.00 H new ATOM 0 HA MET A 102 -16.049 1.374 -1.210 1.00 0.00 H new ATOM 0 HB2 MET A 102 -14.825 3.680 -2.769 1.00 0.00 H new ATOM 0 HB3 MET A 102 -15.305 2.164 -3.505 1.00 0.00 H new ATOM 0 HG2 MET A 102 -17.640 2.619 -2.462 1.00 0.00 H new ATOM 0 HG3 MET A 102 -17.065 4.255 -2.212 1.00 0.00 H new ATOM 0 HE1 MET A 102 -16.355 5.548 -5.785 1.00 0.00 H new ATOM 0 HE2 MET A 102 -15.857 5.574 -4.077 1.00 0.00 H new ATOM 0 HE3 MET A 102 -15.143 4.387 -5.194 1.00 0.00 H new ATOM 1629 N ASP A 103 -13.932 0.143 -1.764 1.00 0.00 N ATOM 1630 CA ASP A 103 -12.706 -0.643 -1.841 1.00 0.00 C ATOM 1631 C ASP A 103 -11.943 -0.334 -3.125 1.00 0.00 C ATOM 1632 O ASP A 103 -12.406 -0.640 -4.224 1.00 0.00 O ATOM 1633 CB ASP A 103 -13.028 -2.137 -1.772 1.00 0.00 C ATOM 1634 CG ASP A 103 -14.047 -2.559 -2.812 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -15.031 -1.818 -3.012 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -13.860 -3.631 -3.425 1.00 0.00 O ATOM 0 H ASP A 103 -14.778 -0.369 -2.014 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.077 -0.375 -0.992 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.111 -2.710 -1.912 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.406 -2.379 -0.779 1.00 0.00 H new ATOM 1641 N SER A 104 -10.771 0.276 -2.979 1.00 0.00 N ATOM 1642 CA SER A 104 -9.946 0.632 -4.127 1.00 0.00 C ATOM 1643 C SER A 104 -9.564 -0.609 -4.927 1.00 0.00 C ATOM 1644 O SER A 104 -9.729 -1.736 -4.460 1.00 0.00 O ATOM 1645 CB SER A 104 -8.684 1.364 -3.667 1.00 0.00 C ATOM 1646 OG SER A 104 -8.896 2.764 -3.614 1.00 0.00 O ATOM 0 H SER A 104 -10.372 0.534 -2.077 1.00 0.00 H new ATOM 0 HA SER A 104 -10.527 1.293 -4.770 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.388 1.001 -2.683 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.863 1.143 -4.349 1.00 0.00 H new ATOM 0 HG SER A 104 -9.254 3.073 -4.472 1.00 0.00 H new ATOM 1652 N GLU A 105 -9.053 -0.393 -6.135 1.00 0.00 N ATOM 1653 CA GLU A 105 -8.649 -1.495 -7.001 1.00 0.00 C ATOM 1654 C GLU A 105 -7.817 -2.515 -6.230 1.00 0.00 C ATOM 1655 O GLU A 105 -6.722 -2.210 -5.757 1.00 0.00 O ATOM 1656 CB GLU A 105 -7.851 -0.967 -8.195 1.00 0.00 C ATOM 1657 CG GLU A 105 -8.690 -0.181 -9.189 1.00 0.00 C ATOM 1658 CD GLU A 105 -9.541 -1.075 -10.070 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -8.964 -1.828 -10.883 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -10.783 -1.023 -9.946 1.00 0.00 O ATOM 0 H GLU A 105 -8.909 0.534 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.551 -1.988 -7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.045 -0.331 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.385 -1.807 -8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.336 0.510 -8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.033 0.422 -9.816 1.00 0.00 H new ATOM 1667 N SER A 106 -8.344 -3.729 -6.108 1.00 0.00 N ATOM 1668 CA SER A 106 -7.653 -4.795 -5.391 1.00 0.00 C ATOM 1669 C SER A 106 -6.374 -5.198 -6.119 1.00 0.00 C ATOM 1670 O SER A 106 -6.417 -5.871 -7.149 1.00 0.00 O ATOM 1671 CB SER A 106 -8.569 -6.010 -5.235 1.00 0.00 C ATOM 1672 OG SER A 106 -8.946 -6.531 -6.497 1.00 0.00 O ATOM 0 H SER A 106 -9.248 -3.999 -6.496 1.00 0.00 H new ATOM 0 HA SER A 106 -7.386 -4.421 -4.403 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.060 -6.781 -4.657 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.460 -5.728 -4.674 1.00 0.00 H new ATOM 0 HG SER A 106 -8.196 -6.450 -7.122 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.236 -4.781 -5.575 1.00 0.00 N ATOM 1679 CA LYS A 107 -3.942 -5.098 -6.169 1.00 0.00 C ATOM 1680 C LYS A 107 -3.375 -6.387 -5.582 1.00 0.00 C ATOM 1681 O LYS A 107 -3.493 -6.639 -4.382 1.00 0.00 O ATOM 1682 CB LYS A 107 -2.959 -3.947 -5.946 1.00 0.00 C ATOM 1683 CG LYS A 107 -3.330 -2.677 -6.691 1.00 0.00 C ATOM 1684 CD LYS A 107 -2.943 -2.758 -8.158 1.00 0.00 C ATOM 1685 CE LYS A 107 -3.620 -1.668 -8.975 1.00 0.00 C ATOM 1686 NZ LYS A 107 -5.037 -2.005 -9.283 1.00 0.00 N ATOM 0 H LYS A 107 -5.183 -4.222 -4.723 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.087 -5.240 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.903 -3.729 -4.879 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.964 -4.264 -6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.403 -2.504 -6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.832 -1.824 -6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.861 -2.668 -8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.218 -3.735 -8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.582 -0.727 -8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.072 -1.518 -9.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.551 -1.139 -9.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -5.069 -2.680 -10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.482 -2.432 -8.446 1.00 0.00 H new ATOM 1700 N THR A 108 -2.757 -7.199 -6.434 1.00 0.00 N ATOM 1701 CA THR A 108 -2.171 -8.460 -6.000 1.00 0.00 C ATOM 1702 C THR A 108 -0.649 -8.385 -5.989 1.00 0.00 C ATOM 1703 O THR A 108 -0.035 -7.890 -6.935 1.00 0.00 O ATOM 1704 CB THR A 108 -2.610 -9.625 -6.907 1.00 0.00 C ATOM 1705 OG1 THR A 108 -2.729 -9.174 -8.260 1.00 0.00 O ATOM 1706 CG2 THR A 108 -3.937 -10.204 -6.441 1.00 0.00 C ATOM 0 H THR A 108 -2.650 -7.005 -7.430 1.00 0.00 H new ATOM 0 HA THR A 108 -2.530 -8.643 -4.987 1.00 0.00 H new ATOM 0 HB THR A 108 -1.852 -10.406 -6.850 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.007 -9.921 -8.831 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.226 -11.025 -7.097 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.834 -10.574 -5.421 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.703 -9.429 -6.471 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.044 -8.879 -4.913 1.00 0.00 N ATOM 1715 CA VAL A 109 1.408 -8.868 -4.781 1.00 0.00 C ATOM 1716 C VAL A 109 1.955 -10.282 -4.619 1.00 0.00 C ATOM 1717 O VAL A 109 1.601 -10.992 -3.677 1.00 0.00 O ATOM 1718 CB VAL A 109 1.856 -8.016 -3.579 1.00 0.00 C ATOM 1719 CG1 VAL A 109 1.223 -8.529 -2.294 1.00 0.00 C ATOM 1720 CG2 VAL A 109 3.373 -8.007 -3.469 1.00 0.00 C ATOM 0 H VAL A 109 -0.537 -9.291 -4.121 1.00 0.00 H new ATOM 0 HA VAL A 109 1.806 -8.429 -5.696 1.00 0.00 H new ATOM 0 HB VAL A 109 1.520 -6.991 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.552 -7.914 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.137 -8.478 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.526 -9.563 -2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.672 -7.400 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.734 -9.027 -3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.801 -7.588 -4.379 1.00 0.00 H new ATOM 1730 N ARG A 110 2.820 -10.686 -5.544 1.00 0.00 N ATOM 1731 CA ARG A 110 3.416 -12.016 -5.504 1.00 0.00 C ATOM 1732 C ARG A 110 4.744 -11.994 -4.752 1.00 0.00 C ATOM 1733 O ARG A 110 5.730 -11.430 -5.227 1.00 0.00 O ATOM 1734 CB ARG A 110 3.630 -12.545 -6.924 1.00 0.00 C ATOM 1735 CG ARG A 110 3.817 -14.051 -6.990 1.00 0.00 C ATOM 1736 CD ARG A 110 4.526 -14.468 -8.270 1.00 0.00 C ATOM 1737 NE ARG A 110 5.044 -15.831 -8.189 1.00 0.00 N ATOM 1738 CZ ARG A 110 5.934 -16.331 -9.039 1.00 0.00 C ATOM 1739 NH1 ARG A 110 6.401 -15.584 -10.030 1.00 0.00 N ATOM 1740 NH2 ARG A 110 6.358 -17.581 -8.900 1.00 0.00 N ATOM 0 H ARG A 110 3.124 -10.111 -6.330 1.00 0.00 H new ATOM 0 HA ARG A 110 2.730 -12.679 -4.976 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.775 -12.266 -7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.505 -12.059 -7.356 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.394 -14.385 -6.128 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.846 -14.542 -6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.834 -14.392 -9.109 1.00 0.00 H new ATOM 0 HD3 ARG A 110 5.347 -13.779 -8.471 1.00 0.00 H new ATOM 0 HE ARG A 110 4.704 -16.432 -7.438 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.077 -14.623 -10.141 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.084 -15.970 -10.681 1.00 0.00 H new ATOM 0 HH21 ARG A 110 6.000 -18.159 -8.140 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.041 -17.963 -9.554 1.00 0.00 H new ATOM 1754 N THR A 111 4.762 -12.613 -3.576 1.00 0.00 N ATOM 1755 CA THR A 111 5.967 -12.664 -2.757 1.00 0.00 C ATOM 1756 C THR A 111 6.878 -13.806 -3.192 1.00 0.00 C ATOM 1757 O THR A 111 6.594 -14.975 -2.931 1.00 0.00 O ATOM 1758 CB THR A 111 5.626 -12.833 -1.265 1.00 0.00 C ATOM 1759 OG1 THR A 111 4.923 -14.064 -1.060 1.00 0.00 O ATOM 1760 CG2 THR A 111 4.779 -11.671 -0.768 1.00 0.00 C ATOM 0 H THR A 111 3.955 -13.086 -3.169 1.00 0.00 H new ATOM 0 HA THR A 111 6.485 -11.715 -2.897 1.00 0.00 H new ATOM 0 HB THR A 111 6.559 -12.849 -0.701 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.793 -14.211 -0.100 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.551 -11.813 0.288 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.328 -10.739 -0.899 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.850 -11.628 -1.337 1.00 0.00 H new ATOM 1768 N THR A 112 7.977 -13.460 -3.855 1.00 0.00 N ATOM 1769 CA THR A 112 8.931 -14.456 -4.326 1.00 0.00 C ATOM 1770 C THR A 112 9.308 -15.426 -3.212 1.00 0.00 C ATOM 1771 O THR A 112 9.022 -15.181 -2.040 1.00 0.00 O ATOM 1772 CB THR A 112 10.211 -13.795 -4.871 1.00 0.00 C ATOM 1773 OG1 THR A 112 11.049 -14.781 -5.484 1.00 0.00 O ATOM 1774 CG2 THR A 112 10.975 -13.096 -3.756 1.00 0.00 C ATOM 0 H THR A 112 8.228 -12.497 -4.078 1.00 0.00 H new ATOM 0 HA THR A 112 8.443 -15.004 -5.132 1.00 0.00 H new ATOM 0 HB THR A 112 9.922 -13.052 -5.614 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.860 -14.352 -5.829 1.00 0.00 H new ATOM 0 HG21 THR A 112 11.875 -12.636 -4.164 1.00 0.00 H new ATOM 0 HG22 THR A 112 10.345 -12.326 -3.310 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.253 -13.824 -2.994 1.00 0.00 H new ATOM 1782 N GLU A 113 9.953 -16.527 -3.585 1.00 0.00 N ATOM 1783 CA GLU A 113 10.369 -17.534 -2.615 1.00 0.00 C ATOM 1784 C GLU A 113 11.861 -17.826 -2.741 1.00 0.00 C ATOM 1785 O GLU A 113 12.365 -18.073 -3.836 1.00 0.00 O ATOM 1786 CB GLU A 113 9.567 -18.823 -2.809 1.00 0.00 C ATOM 1787 CG GLU A 113 9.639 -19.377 -4.222 1.00 0.00 C ATOM 1788 CD GLU A 113 8.540 -20.381 -4.511 1.00 0.00 C ATOM 1789 OE1 GLU A 113 8.511 -21.438 -3.846 1.00 0.00 O ATOM 1790 OE2 GLU A 113 7.708 -20.109 -5.402 1.00 0.00 O ATOM 0 H GLU A 113 10.199 -16.744 -4.551 1.00 0.00 H new ATOM 0 HA GLU A 113 10.176 -17.142 -1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 113 9.933 -19.577 -2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 113 8.524 -18.634 -2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.572 -18.555 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 113 10.609 -19.851 -4.373 1.00 0.00 H new ATOM 1797 N GLU A 114 12.562 -17.796 -1.611 1.00 0.00 N ATOM 1798 CA GLU A 114 13.996 -18.056 -1.595 1.00 0.00 C ATOM 1799 C GLU A 114 14.282 -19.507 -1.218 1.00 0.00 C ATOM 1800 O GLU A 114 13.649 -20.062 -0.320 1.00 0.00 O ATOM 1801 CB GLU A 114 14.697 -17.115 -0.613 1.00 0.00 C ATOM 1802 CG GLU A 114 14.647 -15.654 -1.029 1.00 0.00 C ATOM 1803 CD GLU A 114 15.273 -15.414 -2.390 1.00 0.00 C ATOM 1804 OE1 GLU A 114 14.565 -15.584 -3.405 1.00 0.00 O ATOM 1805 OE2 GLU A 114 16.468 -15.056 -2.440 1.00 0.00 O ATOM 0 H GLU A 114 12.160 -17.594 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 114 14.383 -17.876 -2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.237 -17.220 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.739 -17.420 -0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 114 13.610 -15.320 -1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 114 15.164 -15.050 -0.284 1.00 0.00 H new ATOM 1812 N SER A 115 15.239 -20.115 -1.911 1.00 0.00 N ATOM 1813 CA SER A 115 15.606 -21.502 -1.652 1.00 0.00 C ATOM 1814 C SER A 115 17.120 -21.652 -1.542 1.00 0.00 C ATOM 1815 O SER A 115 17.859 -21.291 -2.457 1.00 0.00 O ATOM 1816 CB SER A 115 15.072 -22.409 -2.763 1.00 0.00 C ATOM 1817 OG SER A 115 13.711 -22.737 -2.543 1.00 0.00 O ATOM 0 H SER A 115 15.774 -19.669 -2.656 1.00 0.00 H new ATOM 0 HA SER A 115 15.159 -21.799 -0.703 1.00 0.00 H new ATOM 0 HB2 SER A 115 15.178 -21.910 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 115 15.666 -23.321 -2.809 1.00 0.00 H new ATOM 0 HG SER A 115 13.393 -23.316 -3.267 1.00 0.00 H new ATOM 1823 N GLY A 116 17.575 -22.188 -0.414 1.00 0.00 N ATOM 1824 CA GLY A 116 18.999 -22.376 -0.203 1.00 0.00 C ATOM 1825 C GLY A 116 19.759 -21.065 -0.171 1.00 0.00 C ATOM 1826 O GLY A 116 19.245 -20.036 0.266 1.00 0.00 O ATOM 0 H GLY A 116 16.983 -22.496 0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 116 19.157 -22.907 0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 116 19.401 -23.006 -0.997 1.00 0.00 H new ATOM 1830 N PRO A 117 21.015 -21.093 -0.641 1.00 0.00 N ATOM 1831 CA PRO A 117 21.874 -19.906 -0.674 1.00 0.00 C ATOM 1832 C PRO A 117 21.408 -18.880 -1.702 1.00 0.00 C ATOM 1833 O PRO A 117 20.411 -19.090 -2.393 1.00 0.00 O ATOM 1834 CB PRO A 117 23.243 -20.469 -1.064 1.00 0.00 C ATOM 1835 CG PRO A 117 22.938 -21.725 -1.806 1.00 0.00 C ATOM 1836 CD PRO A 117 21.692 -22.285 -1.178 1.00 0.00 C ATOM 0 HA PRO A 117 21.871 -19.375 0.278 1.00 0.00 H new ATOM 0 HB2 PRO A 117 23.798 -19.766 -1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 117 23.855 -20.668 -0.184 1.00 0.00 H new ATOM 0 HG2 PRO A 117 22.784 -21.524 -2.866 1.00 0.00 H new ATOM 0 HG3 PRO A 117 23.764 -22.432 -1.732 1.00 0.00 H new ATOM 0 HD2 PRO A 117 21.072 -22.804 -1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 117 21.926 -23.003 -0.392 1.00 0.00 H new ATOM 1844 N SER A 118 22.135 -17.772 -1.797 1.00 0.00 N ATOM 1845 CA SER A 118 21.793 -16.712 -2.739 1.00 0.00 C ATOM 1846 C SER A 118 23.024 -15.886 -3.098 1.00 0.00 C ATOM 1847 O SER A 118 23.752 -15.423 -2.220 1.00 0.00 O ATOM 1848 CB SER A 118 20.711 -15.806 -2.148 1.00 0.00 C ATOM 1849 OG SER A 118 20.002 -15.126 -3.170 1.00 0.00 O ATOM 0 H SER A 118 22.964 -17.584 -1.234 1.00 0.00 H new ATOM 0 HA SER A 118 21.411 -17.177 -3.648 1.00 0.00 H new ATOM 0 HB2 SER A 118 20.018 -16.402 -1.554 1.00 0.00 H new ATOM 0 HB3 SER A 118 21.167 -15.081 -1.473 1.00 0.00 H new ATOM 0 HG SER A 118 19.315 -14.555 -2.767 1.00 0.00 H new ATOM 1855 N SER A 119 23.251 -15.707 -4.395 1.00 0.00 N ATOM 1856 CA SER A 119 24.396 -14.941 -4.873 1.00 0.00 C ATOM 1857 C SER A 119 24.545 -13.641 -4.088 1.00 0.00 C ATOM 1858 O SER A 119 23.562 -12.958 -3.804 1.00 0.00 O ATOM 1859 CB SER A 119 24.247 -14.635 -6.364 1.00 0.00 C ATOM 1860 OG SER A 119 25.243 -13.727 -6.801 1.00 0.00 O ATOM 0 H SER A 119 22.657 -16.082 -5.134 1.00 0.00 H new ATOM 0 HA SER A 119 25.292 -15.542 -4.722 1.00 0.00 H new ATOM 0 HB2 SER A 119 24.317 -15.560 -6.937 1.00 0.00 H new ATOM 0 HB3 SER A 119 23.259 -14.216 -6.555 1.00 0.00 H new ATOM 0 HG SER A 119 25.127 -13.549 -7.758 1.00 0.00 H new ATOM 1866 N GLY A 120 25.783 -13.305 -3.740 1.00 0.00 N ATOM 1867 CA GLY A 120 26.040 -12.089 -2.991 1.00 0.00 C ATOM 1868 C GLY A 120 25.916 -10.844 -3.848 1.00 0.00 C ATOM 1869 O GLY A 120 25.138 -9.942 -3.535 1.00 0.00 O ATOM 0 H GLY A 120 26.613 -13.854 -3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 120 25.340 -12.024 -2.158 1.00 0.00 H new ATOM 0 HA3 GLY A 120 27.042 -12.134 -2.563 1.00 0.00 H new TER 1873 GLY A 120