USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 577 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 26 GLN : amide:sc= -1 X(o=1.1,f=1.1) USER MOD Set 1.2: A 27 TYR OH : rot 139:sc= 1.17 USER MOD Set 1.3: A 62 HIS : no HD1:sc= 0.894 K(o=1.1,f=-5.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0053 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.0612 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0486 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 1.14 K(o=1.1,f=-1.4) USER MOD Single : A 38 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.059) USER MOD Single : A 40 GLN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 42 MET CE :methyl 145:sc= -0.448 (180deg=-3.85!) USER MOD Single : A 44 SER OG : rot 62:sc= 0.202 USER MOD Single : A 45 ASN : amide:sc= -0.531 X(o=-0.53,f=-0.54) USER MOD Single : A 47 MET CE :methyl 139:sc= -3.32! (180deg=-6.29!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0443 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 68 GLN : amide:sc= -0.04 X(o=-0.04,f=-0.21) USER MOD Single : A 71 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.03) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.148 USER MOD Single : A 79 SER OG : rot -53:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.413 12.720 -26.097 1.00 0.00 N ATOM 2 CA GLY A 1 14.971 11.343 -25.983 1.00 0.00 C ATOM 3 C GLY A 1 15.280 10.530 -27.225 1.00 0.00 C ATOM 4 O GLY A 1 14.621 10.681 -28.253 1.00 0.00 O ATOM 0 H1 GLY A 1 15.179 13.233 -25.223 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.442 12.743 -26.247 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.936 13.172 -26.903 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.452 10.881 -25.121 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.897 11.324 -25.798 1.00 0.00 H new ATOM 8 N SER A 2 16.286 9.666 -27.130 1.00 0.00 N ATOM 9 CA SER A 2 16.685 8.831 -28.256 1.00 0.00 C ATOM 10 C SER A 2 16.636 7.353 -27.880 1.00 0.00 C ATOM 11 O SER A 2 17.479 6.864 -27.128 1.00 0.00 O ATOM 12 CB SER A 2 18.094 9.204 -28.722 1.00 0.00 C ATOM 13 OG SER A 2 18.753 10.006 -27.758 1.00 0.00 O ATOM 0 H SER A 2 16.839 9.526 -26.285 1.00 0.00 H new ATOM 0 HA SER A 2 15.983 9.004 -29.072 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.672 8.298 -28.903 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.037 9.741 -29.669 1.00 0.00 H new ATOM 0 HG SER A 2 19.652 10.230 -28.078 1.00 0.00 H new ATOM 19 N SER A 3 15.642 6.646 -28.410 1.00 0.00 N ATOM 20 CA SER A 3 15.480 5.225 -28.128 1.00 0.00 C ATOM 21 C SER A 3 15.326 4.983 -26.629 1.00 0.00 C ATOM 22 O SER A 3 15.242 5.925 -25.842 1.00 0.00 O ATOM 23 CB SER A 3 16.677 4.437 -28.663 1.00 0.00 C ATOM 24 OG SER A 3 16.299 3.120 -29.026 1.00 0.00 O ATOM 0 H SER A 3 14.937 7.035 -29.037 1.00 0.00 H new ATOM 0 HA SER A 3 14.575 4.881 -28.629 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.097 4.950 -29.528 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.459 4.398 -27.905 1.00 0.00 H new ATOM 0 HG SER A 3 17.081 2.637 -29.366 1.00 0.00 H new ATOM 30 N GLY A 4 15.291 3.711 -26.242 1.00 0.00 N ATOM 31 CA GLY A 4 15.147 3.366 -24.840 1.00 0.00 C ATOM 32 C GLY A 4 13.762 3.674 -24.306 1.00 0.00 C ATOM 33 O GLY A 4 13.276 4.798 -24.434 1.00 0.00 O ATOM 0 H GLY A 4 15.360 2.914 -26.875 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.357 2.305 -24.707 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.888 3.913 -24.257 1.00 0.00 H new ATOM 37 N SER A 5 13.125 2.673 -23.707 1.00 0.00 N ATOM 38 CA SER A 5 11.785 2.841 -23.157 1.00 0.00 C ATOM 39 C SER A 5 11.416 1.666 -22.256 1.00 0.00 C ATOM 40 O SER A 5 11.158 0.561 -22.733 1.00 0.00 O ATOM 41 CB SER A 5 10.760 2.974 -24.285 1.00 0.00 C ATOM 42 OG SER A 5 9.575 3.602 -23.827 1.00 0.00 O ATOM 0 H SER A 5 13.515 1.738 -23.590 1.00 0.00 H new ATOM 0 HA SER A 5 11.777 3.752 -22.559 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.189 3.552 -25.103 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.522 1.987 -24.682 1.00 0.00 H new ATOM 0 HG SER A 5 8.937 3.676 -24.567 1.00 0.00 H new ATOM 48 N SER A 6 11.394 1.914 -20.950 1.00 0.00 N ATOM 49 CA SER A 6 11.062 0.876 -19.981 1.00 0.00 C ATOM 50 C SER A 6 9.550 0.739 -19.829 1.00 0.00 C ATOM 51 O SER A 6 8.935 1.409 -19.001 1.00 0.00 O ATOM 52 CB SER A 6 11.695 1.194 -18.625 1.00 0.00 C ATOM 53 OG SER A 6 13.069 0.844 -18.610 1.00 0.00 O ATOM 0 H SER A 6 11.602 2.824 -20.539 1.00 0.00 H new ATOM 0 HA SER A 6 11.460 -0.070 -20.347 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.585 2.257 -18.409 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.170 0.652 -17.839 1.00 0.00 H new ATOM 0 HG SER A 6 13.452 1.058 -17.734 1.00 0.00 H new ATOM 59 N GLY A 7 8.957 -0.135 -20.637 1.00 0.00 N ATOM 60 CA GLY A 7 7.522 -0.345 -20.578 1.00 0.00 C ATOM 61 C GLY A 7 7.109 -1.689 -21.144 1.00 0.00 C ATOM 62 O GLY A 7 6.541 -1.779 -22.233 1.00 0.00 O ATOM 0 H GLY A 7 9.445 -0.701 -21.331 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.190 -0.273 -19.542 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.019 0.449 -21.130 1.00 0.00 H new ATOM 66 N PRO A 8 7.398 -2.764 -20.397 1.00 0.00 N ATOM 67 CA PRO A 8 7.063 -4.130 -20.812 1.00 0.00 C ATOM 68 C PRO A 8 5.561 -4.392 -20.783 1.00 0.00 C ATOM 69 O PRO A 8 5.053 -5.230 -21.528 1.00 0.00 O ATOM 70 CB PRO A 8 7.777 -5.001 -19.776 1.00 0.00 C ATOM 71 CG PRO A 8 7.903 -4.132 -18.572 1.00 0.00 C ATOM 72 CD PRO A 8 8.074 -2.731 -19.089 1.00 0.00 C ATOM 0 HA PRO A 8 7.367 -4.330 -21.839 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.205 -5.903 -19.555 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.754 -5.323 -20.136 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.018 -4.210 -17.940 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.756 -4.430 -17.963 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.621 -1.998 -18.421 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.126 -2.465 -19.187 1.00 0.00 H new ATOM 80 N ARG A 9 4.855 -3.669 -19.920 1.00 0.00 N ATOM 81 CA ARG A 9 3.411 -3.825 -19.794 1.00 0.00 C ATOM 82 C ARG A 9 2.699 -2.495 -20.025 1.00 0.00 C ATOM 83 O ARG A 9 3.155 -1.447 -19.565 1.00 0.00 O ATOM 84 CB ARG A 9 3.054 -4.374 -18.412 1.00 0.00 C ATOM 85 CG ARG A 9 2.707 -5.854 -18.415 1.00 0.00 C ATOM 86 CD ARG A 9 1.485 -6.141 -17.556 1.00 0.00 C ATOM 87 NE ARG A 9 1.700 -5.777 -16.159 1.00 0.00 N ATOM 88 CZ ARG A 9 0.922 -6.187 -15.164 1.00 0.00 C ATOM 89 NH1 ARG A 9 -0.118 -6.972 -15.412 1.00 0.00 N ATOM 90 NH2 ARG A 9 1.182 -5.812 -13.918 1.00 0.00 N ATOM 0 H ARG A 9 5.260 -2.969 -19.298 1.00 0.00 H new ATOM 0 HA ARG A 9 3.079 -4.532 -20.554 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.893 -4.208 -17.737 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.209 -3.812 -18.015 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.520 -6.183 -19.437 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.556 -6.429 -18.045 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.630 -5.590 -17.947 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.237 -7.201 -17.620 1.00 0.00 H new ATOM 0 HE ARG A 9 2.492 -5.174 -15.935 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.321 -7.262 -16.369 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.714 -7.286 -14.646 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.980 -5.208 -13.723 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.583 -6.128 -13.155 1.00 0.00 H new ATOM 104 N CYS A 10 1.580 -2.545 -20.740 1.00 0.00 N ATOM 105 CA CYS A 10 0.806 -1.344 -21.033 1.00 0.00 C ATOM 106 C CYS A 10 1.676 -0.286 -21.703 1.00 0.00 C ATOM 107 O CYS A 10 2.069 0.708 -21.091 1.00 0.00 O ATOM 108 CB CYS A 10 0.194 -0.781 -19.749 1.00 0.00 C ATOM 109 SG CYS A 10 -0.826 0.690 -20.001 1.00 0.00 S ATOM 0 H CYS A 10 1.189 -3.404 -21.127 1.00 0.00 H new ATOM 0 HA CYS A 10 0.005 -1.617 -21.720 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.413 -1.555 -19.279 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.997 -0.539 -19.053 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.300 1.090 -18.859 1.00 0.00 H new ATOM 115 N PRO A 11 1.987 -0.503 -22.989 1.00 0.00 N ATOM 116 CA PRO A 11 2.815 0.421 -23.770 1.00 0.00 C ATOM 117 C PRO A 11 2.099 1.736 -24.062 1.00 0.00 C ATOM 118 O PRO A 11 1.009 1.988 -23.549 1.00 0.00 O ATOM 119 CB PRO A 11 3.074 -0.347 -25.069 1.00 0.00 C ATOM 120 CG PRO A 11 1.926 -1.289 -25.188 1.00 0.00 C ATOM 121 CD PRO A 11 1.553 -1.666 -23.781 1.00 0.00 C ATOM 0 HA PRO A 11 3.723 0.704 -23.238 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.123 0.327 -25.924 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.023 -0.882 -25.030 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.087 -0.819 -25.702 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.202 -2.170 -25.768 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.482 -1.842 -23.683 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.056 -2.579 -23.463 1.00 0.00 H new ATOM 129 N VAL A 12 2.720 2.570 -24.891 1.00 0.00 N ATOM 130 CA VAL A 12 2.141 3.859 -25.253 1.00 0.00 C ATOM 131 C VAL A 12 0.915 3.680 -26.141 1.00 0.00 C ATOM 132 O VAL A 12 0.852 2.754 -26.948 1.00 0.00 O ATOM 133 CB VAL A 12 3.165 4.749 -25.982 1.00 0.00 C ATOM 134 CG1 VAL A 12 2.568 6.116 -26.278 1.00 0.00 C ATOM 135 CG2 VAL A 12 4.437 4.880 -25.159 1.00 0.00 C ATOM 0 H VAL A 12 3.623 2.376 -25.324 1.00 0.00 H new ATOM 0 HA VAL A 12 1.845 4.346 -24.324 1.00 0.00 H new ATOM 0 HB VAL A 12 3.421 4.278 -26.931 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.306 6.731 -26.793 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.688 5.999 -26.910 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.282 6.598 -25.343 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.150 5.512 -25.689 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.201 5.329 -24.194 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.873 3.893 -25.003 1.00 0.00 H new ATOM 145 N GLN A 13 -0.057 4.574 -25.986 1.00 0.00 N ATOM 146 CA GLN A 13 -1.282 4.515 -26.775 1.00 0.00 C ATOM 147 C GLN A 13 -1.185 5.420 -27.999 1.00 0.00 C ATOM 148 O GLN A 13 -0.281 6.249 -28.102 1.00 0.00 O ATOM 149 CB GLN A 13 -2.484 4.919 -25.920 1.00 0.00 C ATOM 150 CG GLN A 13 -2.499 6.394 -25.551 1.00 0.00 C ATOM 151 CD GLN A 13 -3.071 6.644 -24.169 1.00 0.00 C ATOM 152 OE1 GLN A 13 -2.333 6.777 -23.193 1.00 0.00 O ATOM 153 NE2 GLN A 13 -4.395 6.709 -24.080 1.00 0.00 N ATOM 0 H GLN A 13 -0.020 5.347 -25.322 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.417 3.488 -27.115 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.400 4.678 -26.459 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.486 4.324 -25.007 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.483 6.786 -25.596 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.086 6.943 -26.288 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.969 6.593 -24.915 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.838 6.875 -23.176 1.00 0.00 H new ATOM 162 N THR A 14 -2.123 5.254 -28.926 1.00 0.00 N ATOM 163 CA THR A 14 -2.144 6.055 -30.144 1.00 0.00 C ATOM 164 C THR A 14 -3.313 7.032 -30.140 1.00 0.00 C ATOM 165 O THR A 14 -4.308 6.822 -29.446 1.00 0.00 O ATOM 166 CB THR A 14 -2.236 5.166 -31.399 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.492 4.479 -31.421 1.00 0.00 O ATOM 168 CG2 THR A 14 -1.099 4.156 -31.432 1.00 0.00 C ATOM 0 H THR A 14 -2.878 4.572 -28.857 1.00 0.00 H new ATOM 0 HA THR A 14 -1.208 6.614 -30.171 1.00 0.00 H new ATOM 0 HB THR A 14 -2.157 5.806 -32.277 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.544 3.917 -32.222 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.185 3.540 -32.327 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.145 4.683 -31.445 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.151 3.521 -30.548 1.00 0.00 H new ATOM 176 N VAL A 15 -3.188 8.101 -30.920 1.00 0.00 N ATOM 177 CA VAL A 15 -4.236 9.111 -31.007 1.00 0.00 C ATOM 178 C VAL A 15 -5.588 8.475 -31.309 1.00 0.00 C ATOM 179 O VAL A 15 -6.608 8.857 -30.736 1.00 0.00 O ATOM 180 CB VAL A 15 -3.919 10.156 -32.093 1.00 0.00 C ATOM 181 CG1 VAL A 15 -5.039 11.181 -32.192 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.588 10.835 -31.807 1.00 0.00 C ATOM 0 H VAL A 15 -2.371 8.290 -31.501 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.279 9.607 -30.037 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.841 9.644 -33.052 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.797 11.911 -32.964 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.971 10.678 -32.448 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.152 11.690 -31.235 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.380 11.570 -32.584 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.635 11.334 -30.839 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.794 10.088 -31.792 1.00 0.00 H new ATOM 192 N GLY A 16 -5.589 7.500 -32.213 1.00 0.00 N ATOM 193 CA GLY A 16 -6.822 6.825 -32.575 1.00 0.00 C ATOM 194 C GLY A 16 -7.429 6.063 -31.413 1.00 0.00 C ATOM 195 O GLY A 16 -8.621 6.188 -31.137 1.00 0.00 O ATOM 0 H GLY A 16 -4.758 7.166 -32.701 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.541 7.559 -32.939 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.627 6.135 -33.396 1.00 0.00 H new ATOM 199 N GLN A 17 -6.606 5.271 -30.733 1.00 0.00 N ATOM 200 CA GLN A 17 -7.071 4.485 -29.596 1.00 0.00 C ATOM 201 C GLN A 17 -7.464 5.389 -28.433 1.00 0.00 C ATOM 202 O GLN A 17 -8.264 5.006 -27.580 1.00 0.00 O ATOM 203 CB GLN A 17 -5.985 3.503 -29.151 1.00 0.00 C ATOM 204 CG GLN A 17 -5.867 2.280 -30.046 1.00 0.00 C ATOM 205 CD GLN A 17 -5.270 1.086 -29.327 1.00 0.00 C ATOM 206 OE1 GLN A 17 -5.979 0.146 -28.967 1.00 0.00 O ATOM 207 NE2 GLN A 17 -3.960 1.118 -29.114 1.00 0.00 N ATOM 0 H GLN A 17 -5.616 5.157 -30.949 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.952 3.925 -29.909 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.026 4.020 -29.129 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.196 3.178 -28.132 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.854 2.015 -30.425 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.249 2.525 -30.910 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.411 1.918 -29.430 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.502 0.343 -28.635 1.00 0.00 H new ATOM 216 N TRP A 18 -6.895 6.589 -28.404 1.00 0.00 N ATOM 217 CA TRP A 18 -7.186 7.547 -27.344 1.00 0.00 C ATOM 218 C TRP A 18 -8.480 8.300 -27.632 1.00 0.00 C ATOM 219 O TRP A 18 -9.169 8.744 -26.712 1.00 0.00 O ATOM 220 CB TRP A 18 -6.029 8.536 -27.191 1.00 0.00 C ATOM 221 CG TRP A 18 -6.313 9.636 -26.214 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.436 9.517 -24.859 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.512 11.021 -26.516 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.699 10.744 -24.300 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.750 11.684 -25.296 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.510 11.767 -27.698 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.984 13.055 -25.227 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.743 13.127 -27.628 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.977 13.760 -26.400 1.00 0.00 C ATOM 0 H TRP A 18 -6.230 6.921 -29.102 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.308 6.995 -26.412 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.139 7.996 -26.870 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.803 8.973 -28.164 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.340 8.593 -24.308 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.834 10.926 -23.306 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -6.329 11.289 -28.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.165 13.545 -24.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.745 13.712 -28.536 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.155 14.825 -26.379 1.00 0.00 H new ATOM 240 N LEU A 19 -8.805 8.441 -28.912 1.00 0.00 N ATOM 241 CA LEU A 19 -10.018 9.141 -29.320 1.00 0.00 C ATOM 242 C LEU A 19 -11.249 8.263 -29.117 1.00 0.00 C ATOM 243 O LEU A 19 -12.292 8.735 -28.668 1.00 0.00 O ATOM 244 CB LEU A 19 -9.917 9.566 -30.787 1.00 0.00 C ATOM 245 CG LEU A 19 -8.934 10.696 -31.092 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.429 10.593 -32.522 1.00 0.00 C ATOM 247 CD2 LEU A 19 -9.586 12.050 -30.851 1.00 0.00 C ATOM 0 H LEU A 19 -8.246 8.080 -29.685 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.122 10.029 -28.697 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.633 8.695 -31.378 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.907 9.872 -31.125 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.081 10.601 -30.420 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.730 11.406 -32.721 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.923 9.638 -32.661 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.271 10.662 -33.211 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.871 12.843 -31.073 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.457 12.155 -31.498 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.897 12.124 -29.809 1.00 0.00 H new ATOM 259 N GLU A 20 -11.116 6.982 -29.450 1.00 0.00 N ATOM 260 CA GLU A 20 -12.218 6.038 -29.302 1.00 0.00 C ATOM 261 C GLU A 20 -12.660 5.942 -27.845 1.00 0.00 C ATOM 262 O GLU A 20 -13.854 5.887 -27.550 1.00 0.00 O ATOM 263 CB GLU A 20 -11.806 4.656 -29.814 1.00 0.00 C ATOM 264 CG GLU A 20 -10.474 4.175 -29.263 1.00 0.00 C ATOM 265 CD GLU A 20 -10.140 2.761 -29.697 1.00 0.00 C ATOM 266 OE1 GLU A 20 -10.267 2.464 -30.902 1.00 0.00 O ATOM 267 OE2 GLU A 20 -9.750 1.952 -28.829 1.00 0.00 O ATOM 0 H GLU A 20 -10.258 6.575 -29.823 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.057 6.402 -29.895 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.580 3.935 -29.551 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.751 4.682 -30.902 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.684 4.849 -29.594 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.497 4.221 -28.174 1.00 0.00 H new ATOM 274 N SER A 21 -11.689 5.921 -26.938 1.00 0.00 N ATOM 275 CA SER A 21 -11.977 5.827 -25.511 1.00 0.00 C ATOM 276 C SER A 21 -12.924 6.940 -25.074 1.00 0.00 C ATOM 277 O SER A 21 -14.044 6.679 -24.633 1.00 0.00 O ATOM 278 CB SER A 21 -10.681 5.897 -24.702 1.00 0.00 C ATOM 279 OG SER A 21 -10.945 6.182 -23.339 1.00 0.00 O ATOM 0 H SER A 21 -10.696 5.968 -27.165 1.00 0.00 H new ATOM 0 HA SER A 21 -12.461 4.868 -25.325 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.147 4.950 -24.782 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.030 6.666 -25.118 1.00 0.00 H new ATOM 0 HG SER A 21 -10.101 6.220 -22.843 1.00 0.00 H new ATOM 285 N ILE A 22 -12.466 8.181 -25.198 1.00 0.00 N ATOM 286 CA ILE A 22 -13.272 9.334 -24.817 1.00 0.00 C ATOM 287 C ILE A 22 -14.606 9.340 -25.555 1.00 0.00 C ATOM 288 O ILE A 22 -15.595 9.887 -25.068 1.00 0.00 O ATOM 289 CB ILE A 22 -12.534 10.655 -25.103 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.027 10.680 -26.546 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.381 10.840 -24.127 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.382 11.991 -26.938 1.00 0.00 C ATOM 0 H ILE A 22 -11.541 8.414 -25.559 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.453 9.253 -23.745 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.233 11.480 -24.970 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.306 9.874 -26.683 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.861 10.479 -27.219 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.869 11.778 -24.342 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.767 10.863 -23.108 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.680 10.012 -24.231 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.046 11.936 -27.974 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.107 12.799 -26.834 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.527 12.184 -26.290 1.00 0.00 H new ATOM 304 N GLY A 23 -14.628 8.725 -26.734 1.00 0.00 N ATOM 305 CA GLY A 23 -15.847 8.670 -27.520 1.00 0.00 C ATOM 306 C GLY A 23 -15.929 9.786 -28.541 1.00 0.00 C ATOM 307 O GLY A 23 -16.967 10.435 -28.681 1.00 0.00 O ATOM 0 H GLY A 23 -13.823 8.264 -27.159 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.903 7.709 -28.031 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.708 8.727 -26.854 1.00 0.00 H new ATOM 311 N LEU A 24 -14.833 10.014 -29.256 1.00 0.00 N ATOM 312 CA LEU A 24 -14.785 11.062 -30.270 1.00 0.00 C ATOM 313 C LEU A 24 -13.857 10.669 -31.416 1.00 0.00 C ATOM 314 O LEU A 24 -12.799 11.263 -31.622 1.00 0.00 O ATOM 315 CB LEU A 24 -14.316 12.379 -29.649 1.00 0.00 C ATOM 316 CG LEU A 24 -15.319 13.082 -28.733 1.00 0.00 C ATOM 317 CD1 LEU A 24 -14.614 14.109 -27.860 1.00 0.00 C ATOM 318 CD2 LEU A 24 -16.419 13.741 -29.552 1.00 0.00 C ATOM 0 H LEU A 24 -13.966 9.487 -29.153 1.00 0.00 H new ATOM 0 HA LEU A 24 -15.791 11.193 -30.669 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.407 12.186 -29.079 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.048 13.063 -30.455 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.776 12.335 -28.084 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.343 14.600 -27.215 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.863 13.611 -27.247 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.130 14.853 -28.492 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.123 14.236 -28.884 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -15.980 14.477 -30.226 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -16.943 12.983 -30.134 1.00 0.00 H new ATOM 330 N PRO A 25 -14.263 9.645 -32.181 1.00 0.00 N ATOM 331 CA PRO A 25 -13.484 9.151 -33.321 1.00 0.00 C ATOM 332 C PRO A 25 -13.466 10.139 -34.482 1.00 0.00 C ATOM 333 O PRO A 25 -12.572 10.102 -35.326 1.00 0.00 O ATOM 334 CB PRO A 25 -14.216 7.868 -33.722 1.00 0.00 C ATOM 335 CG PRO A 25 -15.614 8.065 -33.247 1.00 0.00 C ATOM 336 CD PRO A 25 -15.513 8.890 -31.993 1.00 0.00 C ATOM 0 HA PRO A 25 -12.436 8.997 -33.063 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.182 7.714 -34.801 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.761 6.992 -33.260 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.214 8.573 -34.001 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.097 7.108 -33.047 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.370 9.554 -31.879 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.474 8.263 -31.102 1.00 0.00 H new ATOM 344 N GLN A 26 -14.459 11.022 -34.517 1.00 0.00 N ATOM 345 CA GLN A 26 -14.556 12.021 -35.575 1.00 0.00 C ATOM 346 C GLN A 26 -13.299 12.883 -35.627 1.00 0.00 C ATOM 347 O GLN A 26 -12.980 13.471 -36.661 1.00 0.00 O ATOM 348 CB GLN A 26 -15.786 12.904 -35.361 1.00 0.00 C ATOM 349 CG GLN A 26 -15.816 13.587 -34.003 1.00 0.00 C ATOM 350 CD GLN A 26 -17.107 14.341 -33.757 1.00 0.00 C ATOM 351 OE1 GLN A 26 -18.001 14.358 -34.604 1.00 0.00 O ATOM 352 NE2 GLN A 26 -17.213 14.971 -32.593 1.00 0.00 N ATOM 0 H GLN A 26 -15.207 11.066 -33.825 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.655 11.498 -36.526 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -15.817 13.664 -36.142 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.684 12.296 -35.472 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.682 12.839 -33.222 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -14.976 14.278 -33.930 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.448 14.931 -31.920 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.060 15.495 -32.372 1.00 0.00 H new ATOM 361 N TYR A 27 -12.589 12.954 -34.507 1.00 0.00 N ATOM 362 CA TYR A 27 -11.368 13.746 -34.424 1.00 0.00 C ATOM 363 C TYR A 27 -10.139 12.883 -34.693 1.00 0.00 C ATOM 364 O TYR A 27 -9.098 13.054 -34.060 1.00 0.00 O ATOM 365 CB TYR A 27 -11.253 14.402 -33.047 1.00 0.00 C ATOM 366 CG TYR A 27 -12.444 15.259 -32.683 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.025 16.109 -33.617 1.00 0.00 C ATOM 368 CD2 TYR A 27 -12.990 15.220 -31.406 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.113 16.894 -33.289 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.078 16.001 -31.069 1.00 0.00 C ATOM 371 CZ TYR A 27 -14.636 16.837 -32.014 1.00 0.00 C ATOM 372 OH TYR A 27 -15.720 17.617 -31.683 1.00 0.00 O ATOM 0 H TYR A 27 -12.838 12.472 -33.643 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.417 14.523 -35.186 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.131 13.625 -32.293 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.353 15.016 -33.020 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.619 16.156 -34.616 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.556 14.567 -30.663 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.552 17.549 -34.027 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.490 15.958 -30.071 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.339 17.098 -31.128 1.00 0.00 H new ATOM 382 N GLU A 28 -10.270 11.956 -35.636 1.00 0.00 N ATOM 383 CA GLU A 28 -9.171 11.066 -35.990 1.00 0.00 C ATOM 384 C GLU A 28 -8.274 11.702 -37.048 1.00 0.00 C ATOM 385 O GLU A 28 -7.049 11.614 -36.973 1.00 0.00 O ATOM 386 CB GLU A 28 -9.712 9.729 -36.501 1.00 0.00 C ATOM 387 CG GLU A 28 -8.640 8.665 -36.674 1.00 0.00 C ATOM 388 CD GLU A 28 -9.168 7.262 -36.441 1.00 0.00 C ATOM 389 OE1 GLU A 28 -9.201 6.827 -35.272 1.00 0.00 O ATOM 390 OE2 GLU A 28 -9.547 6.600 -37.430 1.00 0.00 O ATOM 0 H GLU A 28 -11.126 11.802 -36.169 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.577 10.890 -35.093 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.467 9.362 -35.806 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.210 9.890 -37.457 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.227 8.731 -37.680 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.823 8.862 -35.980 1.00 0.00 H new ATOM 397 N ASN A 29 -8.895 12.342 -38.034 1.00 0.00 N ATOM 398 CA ASN A 29 -8.153 12.992 -39.108 1.00 0.00 C ATOM 399 C ASN A 29 -7.747 14.407 -38.710 1.00 0.00 C ATOM 400 O ASN A 29 -6.761 14.947 -39.213 1.00 0.00 O ATOM 401 CB ASN A 29 -8.996 13.032 -40.385 1.00 0.00 C ATOM 402 CG ASN A 29 -8.314 12.339 -41.549 1.00 0.00 C ATOM 403 OD1 ASN A 29 -8.765 11.291 -42.012 1.00 0.00 O ATOM 404 ND2 ASN A 29 -7.222 12.922 -42.028 1.00 0.00 N ATOM 0 H ASN A 29 -9.909 12.424 -38.111 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.249 12.413 -39.294 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.959 12.557 -40.197 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.199 14.069 -40.651 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.721 12.502 -42.811 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.884 13.790 -41.613 1.00 0.00 H new ATOM 411 N HIS A 30 -8.513 15.004 -37.802 1.00 0.00 N ATOM 412 CA HIS A 30 -8.232 16.356 -37.334 1.00 0.00 C ATOM 413 C HIS A 30 -6.828 16.446 -36.742 1.00 0.00 C ATOM 414 O HIS A 30 -5.920 17.010 -37.354 1.00 0.00 O ATOM 415 CB HIS A 30 -9.265 16.783 -36.291 1.00 0.00 C ATOM 416 CG HIS A 30 -10.538 17.301 -36.887 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.511 16.478 -37.414 1.00 0.00 N ATOM 418 CD2 HIS A 30 -10.996 18.566 -37.035 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.512 17.215 -37.863 1.00 0.00 C ATOM 420 NE2 HIS A 30 -12.225 18.485 -37.644 1.00 0.00 N ATOM 0 H HIS A 30 -9.333 14.572 -37.376 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.291 17.029 -38.190 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.494 15.933 -35.649 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.830 17.555 -35.656 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.490 19.470 -36.731 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.412 16.842 -38.330 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.819 19.277 -37.887 1.00 0.00 H new ATOM 428 N LEU A 31 -6.658 15.888 -35.549 1.00 0.00 N ATOM 429 CA LEU A 31 -5.364 15.905 -34.874 1.00 0.00 C ATOM 430 C LEU A 31 -4.269 15.353 -35.781 1.00 0.00 C ATOM 431 O LEU A 31 -3.210 15.961 -35.932 1.00 0.00 O ATOM 432 CB LEU A 31 -5.431 15.089 -33.581 1.00 0.00 C ATOM 433 CG LEU A 31 -6.111 15.769 -32.393 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.306 14.953 -31.923 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.121 15.972 -31.256 1.00 0.00 C ATOM 0 H LEU A 31 -7.399 15.418 -35.029 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.122 16.940 -34.632 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.956 14.157 -33.790 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.415 14.824 -33.289 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.469 16.747 -32.715 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.777 15.453 -31.077 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.026 14.860 -32.736 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.972 13.961 -31.619 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.623 16.457 -30.419 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.732 15.006 -30.935 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.297 16.599 -31.598 1.00 0.00 H new ATOM 447 N MET A 32 -4.533 14.199 -36.384 1.00 0.00 N ATOM 448 CA MET A 32 -3.571 13.567 -37.279 1.00 0.00 C ATOM 449 C MET A 32 -3.098 14.547 -38.348 1.00 0.00 C ATOM 450 O MET A 32 -1.931 14.939 -38.372 1.00 0.00 O ATOM 451 CB MET A 32 -4.190 12.334 -37.940 1.00 0.00 C ATOM 452 CG MET A 32 -4.162 11.094 -37.061 1.00 0.00 C ATOM 453 SD MET A 32 -2.683 10.095 -37.317 1.00 0.00 S ATOM 454 CE MET A 32 -2.512 9.325 -35.709 1.00 0.00 C ATOM 0 H MET A 32 -5.405 13.682 -36.269 1.00 0.00 H new ATOM 0 HA MET A 32 -2.710 13.259 -36.686 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.223 12.556 -38.208 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.658 12.124 -38.868 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.217 11.394 -36.014 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.045 10.488 -37.266 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.638 8.674 -35.708 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.391 10.096 -34.948 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.403 8.736 -35.491 1.00 0.00 H new ATOM 464 N ALA A 33 -4.011 14.940 -39.230 1.00 0.00 N ATOM 465 CA ALA A 33 -3.687 15.876 -40.300 1.00 0.00 C ATOM 466 C ALA A 33 -3.012 17.128 -39.748 1.00 0.00 C ATOM 467 O ALA A 33 -2.021 17.604 -40.300 1.00 0.00 O ATOM 468 CB ALA A 33 -4.942 16.248 -41.074 1.00 0.00 C ATOM 0 H ALA A 33 -4.981 14.625 -39.225 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.988 15.387 -40.978 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.685 16.947 -41.870 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.381 15.350 -41.508 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.661 16.714 -40.400 1.00 0.00 H new ATOM 474 N ASN A 34 -3.557 17.656 -38.657 1.00 0.00 N ATOM 475 CA ASN A 34 -3.009 18.854 -38.032 1.00 0.00 C ATOM 476 C ASN A 34 -1.528 18.671 -37.711 1.00 0.00 C ATOM 477 O ASN A 34 -0.769 19.637 -37.659 1.00 0.00 O ATOM 478 CB ASN A 34 -3.782 19.187 -36.755 1.00 0.00 C ATOM 479 CG ASN A 34 -4.863 20.225 -36.987 1.00 0.00 C ATOM 480 OD1 ASN A 34 -4.616 21.427 -36.890 1.00 0.00 O ATOM 481 ND2 ASN A 34 -6.069 19.764 -37.296 1.00 0.00 N ATOM 0 H ASN A 34 -4.378 17.273 -38.188 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.111 19.680 -38.736 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.234 18.277 -36.360 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.088 19.552 -35.998 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.836 20.415 -37.464 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.228 18.759 -37.366 1.00 0.00 H new ATOM 488 N GLY A 35 -1.125 17.422 -37.497 1.00 0.00 N ATOM 489 CA GLY A 35 0.263 17.134 -37.184 1.00 0.00 C ATOM 490 C GLY A 35 0.459 16.731 -35.736 1.00 0.00 C ATOM 491 O GLY A 35 1.538 16.918 -35.173 1.00 0.00 O ATOM 0 H GLY A 35 -1.734 16.605 -37.535 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.620 16.334 -37.832 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.871 18.013 -37.399 1.00 0.00 H new ATOM 495 N PHE A 36 -0.587 16.178 -35.130 1.00 0.00 N ATOM 496 CA PHE A 36 -0.525 15.751 -33.738 1.00 0.00 C ATOM 497 C PHE A 36 -0.489 14.228 -33.637 1.00 0.00 C ATOM 498 O PHE A 36 -1.504 13.590 -33.355 1.00 0.00 O ATOM 499 CB PHE A 36 -1.725 16.296 -32.961 1.00 0.00 C ATOM 500 CG PHE A 36 -1.428 17.563 -32.210 1.00 0.00 C ATOM 501 CD1 PHE A 36 -0.609 17.545 -31.092 1.00 0.00 C ATOM 502 CD2 PHE A 36 -1.967 18.771 -32.621 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.332 18.708 -30.399 1.00 0.00 C ATOM 504 CE2 PHE A 36 -1.694 19.937 -31.933 1.00 0.00 C ATOM 505 CZ PHE A 36 -0.877 19.906 -30.819 1.00 0.00 C ATOM 0 H PHE A 36 -1.487 16.015 -35.582 1.00 0.00 H new ATOM 0 HA PHE A 36 0.392 16.149 -33.303 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.545 16.479 -33.656 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.067 15.537 -32.257 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.182 16.611 -30.758 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.608 18.801 -33.490 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.309 18.680 -29.531 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.119 20.873 -32.266 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.665 20.816 -30.278 1.00 0.00 H new ATOM 515 N ASP A 37 0.685 13.654 -33.871 1.00 0.00 N ATOM 516 CA ASP A 37 0.854 12.207 -33.806 1.00 0.00 C ATOM 517 C ASP A 37 1.785 11.819 -32.661 1.00 0.00 C ATOM 518 O ASP A 37 2.509 10.828 -32.746 1.00 0.00 O ATOM 519 CB ASP A 37 1.407 11.677 -35.131 1.00 0.00 C ATOM 520 CG ASP A 37 2.763 12.264 -35.468 1.00 0.00 C ATOM 521 OD1 ASP A 37 2.829 13.475 -35.766 1.00 0.00 O ATOM 522 OD2 ASP A 37 3.760 11.511 -35.434 1.00 0.00 O ATOM 0 H ASP A 37 1.534 14.168 -34.107 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.123 11.760 -33.623 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.487 10.591 -35.080 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.705 11.907 -35.932 1.00 0.00 H new ATOM 527 N ASN A 38 1.760 12.608 -31.592 1.00 0.00 N ATOM 528 CA ASN A 38 2.603 12.348 -30.431 1.00 0.00 C ATOM 529 C ASN A 38 1.769 12.299 -29.154 1.00 0.00 C ATOM 530 O ASN A 38 1.681 13.284 -28.420 1.00 0.00 O ATOM 531 CB ASN A 38 3.684 13.424 -30.307 1.00 0.00 C ATOM 532 CG ASN A 38 3.188 14.792 -30.733 1.00 0.00 C ATOM 533 OD1 ASN A 38 3.396 15.213 -31.871 1.00 0.00 O ATOM 534 ND2 ASN A 38 2.528 15.493 -29.819 1.00 0.00 N ATOM 0 H ASN A 38 1.165 13.432 -31.506 1.00 0.00 H new ATOM 0 HA ASN A 38 3.081 11.378 -30.570 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.030 13.471 -29.274 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.542 13.145 -30.918 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.170 16.420 -30.048 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.379 15.104 -28.888 1.00 0.00 H new ATOM 541 N VAL A 39 1.160 11.147 -28.895 1.00 0.00 N ATOM 542 CA VAL A 39 0.335 10.969 -27.706 1.00 0.00 C ATOM 543 C VAL A 39 1.160 11.131 -26.434 1.00 0.00 C ATOM 544 O VAL A 39 0.631 11.479 -25.380 1.00 0.00 O ATOM 545 CB VAL A 39 -0.340 9.585 -27.693 1.00 0.00 C ATOM 546 CG1 VAL A 39 -1.342 9.489 -26.553 1.00 0.00 C ATOM 547 CG2 VAL A 39 -1.013 9.308 -29.029 1.00 0.00 C ATOM 0 H VAL A 39 1.222 10.323 -29.492 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.434 11.741 -27.737 1.00 0.00 H new ATOM 0 HB VAL A 39 0.428 8.828 -27.534 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.808 8.504 -26.561 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.828 9.640 -25.604 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.108 10.254 -26.677 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.485 8.326 -29.002 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.770 10.069 -29.220 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.267 9.330 -29.824 1.00 0.00 H new ATOM 557 N GLN A 40 2.460 10.877 -26.543 1.00 0.00 N ATOM 558 CA GLN A 40 3.359 10.996 -25.401 1.00 0.00 C ATOM 559 C GLN A 40 3.522 12.454 -24.985 1.00 0.00 C ATOM 560 O GLN A 40 3.658 12.760 -23.800 1.00 0.00 O ATOM 561 CB GLN A 40 4.725 10.394 -25.737 1.00 0.00 C ATOM 562 CG GLN A 40 5.399 11.044 -26.934 1.00 0.00 C ATOM 563 CD GLN A 40 6.075 10.035 -27.842 1.00 0.00 C ATOM 564 OE1 GLN A 40 7.283 10.102 -28.072 1.00 0.00 O ATOM 565 NE2 GLN A 40 5.298 9.093 -28.363 1.00 0.00 N ATOM 0 H GLN A 40 2.914 10.588 -27.409 1.00 0.00 H new ATOM 0 HA GLN A 40 2.921 10.447 -24.567 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.377 10.487 -24.869 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.605 9.328 -25.933 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.657 11.602 -27.506 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.138 11.764 -26.583 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.302 9.076 -28.145 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.697 8.387 -28.981 1.00 0.00 H new ATOM 574 N PHE A 41 3.505 13.350 -25.966 1.00 0.00 N ATOM 575 CA PHE A 41 3.652 14.776 -25.702 1.00 0.00 C ATOM 576 C PHE A 41 2.327 15.385 -25.253 1.00 0.00 C ATOM 577 O PHE A 41 2.286 16.199 -24.331 1.00 0.00 O ATOM 578 CB PHE A 41 4.161 15.499 -26.951 1.00 0.00 C ATOM 579 CG PHE A 41 5.627 15.824 -26.899 1.00 0.00 C ATOM 580 CD1 PHE A 41 6.094 16.853 -26.097 1.00 0.00 C ATOM 581 CD2 PHE A 41 6.537 15.102 -27.654 1.00 0.00 C ATOM 582 CE1 PHE A 41 7.441 17.155 -26.048 1.00 0.00 C ATOM 583 CE2 PHE A 41 7.886 15.399 -27.608 1.00 0.00 C ATOM 584 CZ PHE A 41 8.339 16.427 -26.805 1.00 0.00 C ATOM 0 H PHE A 41 3.391 13.113 -26.952 1.00 0.00 H new ATOM 0 HA PHE A 41 4.379 14.898 -24.899 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.965 14.879 -27.826 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.597 16.422 -27.082 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.397 17.426 -25.503 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.188 14.298 -28.285 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.792 17.959 -25.419 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.586 14.827 -28.200 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.393 16.661 -26.769 1.00 0.00 H new ATOM 594 N MET A 42 1.245 14.984 -25.912 1.00 0.00 N ATOM 595 CA MET A 42 -0.082 15.490 -25.581 1.00 0.00 C ATOM 596 C MET A 42 -0.373 15.320 -24.093 1.00 0.00 C ATOM 597 O MET A 42 -0.681 14.222 -23.632 1.00 0.00 O ATOM 598 CB MET A 42 -1.148 14.765 -26.407 1.00 0.00 C ATOM 599 CG MET A 42 -1.309 15.320 -27.812 1.00 0.00 C ATOM 600 SD MET A 42 -1.252 14.036 -29.077 1.00 0.00 S ATOM 601 CE MET A 42 -2.998 13.694 -29.290 1.00 0.00 C ATOM 0 H MET A 42 1.261 14.311 -26.678 1.00 0.00 H new ATOM 0 HA MET A 42 -0.108 16.553 -25.819 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.890 13.708 -26.470 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.104 14.829 -25.888 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.258 15.852 -27.882 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.521 16.048 -28.003 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.198 13.458 -30.335 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.282 12.847 -28.666 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.578 14.569 -28.999 1.00 0.00 H new ATOM 611 N GLY A 43 -0.273 16.416 -23.347 1.00 0.00 N ATOM 612 CA GLY A 43 -0.527 16.366 -21.919 1.00 0.00 C ATOM 613 C GLY A 43 0.555 17.057 -21.113 1.00 0.00 C ATOM 614 O GLY A 43 1.292 16.410 -20.368 1.00 0.00 O ATOM 0 H GLY A 43 -0.021 17.337 -23.706 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.488 16.834 -21.708 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.603 15.326 -21.603 1.00 0.00 H new ATOM 618 N SER A 44 0.652 18.374 -21.262 1.00 0.00 N ATOM 619 CA SER A 44 1.657 19.152 -20.545 1.00 0.00 C ATOM 620 C SER A 44 1.539 20.635 -20.885 1.00 0.00 C ATOM 621 O SER A 44 1.065 21.432 -20.076 1.00 0.00 O ATOM 622 CB SER A 44 3.061 18.649 -20.887 1.00 0.00 C ATOM 623 OG SER A 44 3.651 17.994 -19.777 1.00 0.00 O ATOM 0 H SER A 44 0.048 18.925 -21.872 1.00 0.00 H new ATOM 0 HA SER A 44 1.484 19.027 -19.476 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.009 17.963 -21.733 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.687 19.487 -21.194 1.00 0.00 H new ATOM 0 HG SER A 44 3.118 17.206 -19.541 1.00 0.00 H new ATOM 629 N ASN A 45 1.974 20.996 -22.087 1.00 0.00 N ATOM 630 CA ASN A 45 1.918 22.383 -22.535 1.00 0.00 C ATOM 631 C ASN A 45 1.573 22.463 -24.019 1.00 0.00 C ATOM 632 O ASN A 45 1.991 23.387 -24.716 1.00 0.00 O ATOM 633 CB ASN A 45 3.255 23.080 -22.273 1.00 0.00 C ATOM 634 CG ASN A 45 4.328 22.660 -23.259 1.00 0.00 C ATOM 635 OD1 ASN A 45 4.676 23.410 -24.171 1.00 0.00 O ATOM 636 ND2 ASN A 45 4.859 21.456 -23.079 1.00 0.00 N ATOM 0 H ASN A 45 2.369 20.348 -22.769 1.00 0.00 H new ATOM 0 HA ASN A 45 1.135 22.889 -21.970 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.116 24.160 -22.329 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.587 22.854 -21.260 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.586 21.120 -23.710 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.540 20.868 -22.309 1.00 0.00 H new ATOM 643 N VAL A 46 0.806 21.487 -24.495 1.00 0.00 N ATOM 644 CA VAL A 46 0.402 21.446 -25.896 1.00 0.00 C ATOM 645 C VAL A 46 -0.997 20.861 -26.048 1.00 0.00 C ATOM 646 O VAL A 46 -1.433 20.050 -25.231 1.00 0.00 O ATOM 647 CB VAL A 46 1.388 20.617 -26.740 1.00 0.00 C ATOM 648 CG1 VAL A 46 1.325 19.149 -26.347 1.00 0.00 C ATOM 649 CG2 VAL A 46 1.098 20.794 -28.223 1.00 0.00 C ATOM 0 H VAL A 46 0.452 20.714 -23.931 1.00 0.00 H new ATOM 0 HA VAL A 46 0.403 22.475 -26.256 1.00 0.00 H new ATOM 0 HB VAL A 46 2.398 20.977 -26.545 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.029 18.579 -26.954 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.585 19.043 -25.294 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.316 18.771 -26.511 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.804 20.201 -28.805 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.082 20.462 -28.437 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.200 21.846 -28.491 1.00 0.00 H new ATOM 659 N MET A 47 -1.696 21.277 -27.099 1.00 0.00 N ATOM 660 CA MET A 47 -3.046 20.792 -27.359 1.00 0.00 C ATOM 661 C MET A 47 -3.996 21.199 -26.236 1.00 0.00 C ATOM 662 O MET A 47 -4.794 20.391 -25.763 1.00 0.00 O ATOM 663 CB MET A 47 -3.044 19.270 -27.513 1.00 0.00 C ATOM 664 CG MET A 47 -4.292 18.725 -28.188 1.00 0.00 C ATOM 665 SD MET A 47 -4.328 19.065 -29.959 1.00 0.00 S ATOM 666 CE MET A 47 -5.451 20.459 -30.014 1.00 0.00 C ATOM 0 H MET A 47 -1.350 21.949 -27.784 1.00 0.00 H new ATOM 0 HA MET A 47 -3.394 21.244 -28.288 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.169 18.973 -28.091 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.945 18.814 -26.528 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.347 17.648 -28.027 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.174 19.162 -27.720 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.080 21.197 -30.726 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.439 20.119 -30.325 1.00 0.00 H new ATOM 0 HE3 MET A 47 -5.518 20.911 -29.024 1.00 0.00 H new ATOM 676 N GLU A 48 -3.903 22.457 -25.815 1.00 0.00 N ATOM 677 CA GLU A 48 -4.754 22.969 -24.748 1.00 0.00 C ATOM 678 C GLU A 48 -6.136 23.333 -25.281 1.00 0.00 C ATOM 679 O GLU A 48 -6.439 23.113 -26.454 1.00 0.00 O ATOM 680 CB GLU A 48 -4.108 24.193 -24.094 1.00 0.00 C ATOM 681 CG GLU A 48 -2.689 23.948 -23.611 1.00 0.00 C ATOM 682 CD GLU A 48 -2.110 25.139 -22.872 1.00 0.00 C ATOM 683 OE1 GLU A 48 -2.897 25.996 -22.418 1.00 0.00 O ATOM 684 OE2 GLU A 48 -0.870 25.213 -22.747 1.00 0.00 O ATOM 0 H GLU A 48 -3.248 23.139 -26.196 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.868 22.184 -24.000 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.102 25.016 -24.809 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.721 24.509 -23.250 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.678 23.078 -22.955 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.054 23.712 -24.465 1.00 0.00 H new ATOM 691 N ASP A 49 -6.971 23.891 -24.411 1.00 0.00 N ATOM 692 CA ASP A 49 -8.322 24.286 -24.793 1.00 0.00 C ATOM 693 C ASP A 49 -8.298 25.172 -26.036 1.00 0.00 C ATOM 694 O ASP A 49 -9.075 24.970 -26.968 1.00 0.00 O ATOM 695 CB ASP A 49 -9.006 25.022 -23.641 1.00 0.00 C ATOM 696 CG ASP A 49 -10.499 25.175 -23.856 1.00 0.00 C ATOM 697 OD1 ASP A 49 -11.009 24.650 -24.868 1.00 0.00 O ATOM 698 OD2 ASP A 49 -11.157 25.819 -23.012 1.00 0.00 O ATOM 0 H ASP A 49 -6.736 24.080 -23.437 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.887 23.383 -25.023 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.829 24.480 -22.712 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.556 26.008 -23.525 1.00 0.00 H new ATOM 703 N GLN A 50 -7.401 26.153 -26.040 1.00 0.00 N ATOM 704 CA GLN A 50 -7.278 27.070 -27.166 1.00 0.00 C ATOM 705 C GLN A 50 -6.775 26.341 -28.409 1.00 0.00 C ATOM 706 O GLN A 50 -7.246 26.589 -29.519 1.00 0.00 O ATOM 707 CB GLN A 50 -6.330 28.218 -26.816 1.00 0.00 C ATOM 708 CG GLN A 50 -7.031 29.556 -26.646 1.00 0.00 C ATOM 709 CD GLN A 50 -6.811 30.484 -27.824 1.00 0.00 C ATOM 710 OE1 GLN A 50 -5.674 30.805 -28.172 1.00 0.00 O ATOM 711 NE2 GLN A 50 -7.900 30.920 -28.446 1.00 0.00 N ATOM 0 H GLN A 50 -6.749 26.333 -25.276 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.266 27.477 -27.380 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.802 27.974 -25.894 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.578 28.308 -27.599 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.100 29.388 -26.516 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.671 30.038 -25.737 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.823 30.628 -28.124 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.814 31.547 -29.246 1.00 0.00 H new ATOM 720 N ASP A 51 -5.816 25.443 -28.214 1.00 0.00 N ATOM 721 CA ASP A 51 -5.250 24.677 -29.319 1.00 0.00 C ATOM 722 C ASP A 51 -6.320 23.828 -29.996 1.00 0.00 C ATOM 723 O ASP A 51 -6.238 23.543 -31.192 1.00 0.00 O ATOM 724 CB ASP A 51 -4.113 23.785 -28.819 1.00 0.00 C ATOM 725 CG ASP A 51 -3.011 24.575 -28.142 1.00 0.00 C ATOM 726 OD1 ASP A 51 -3.224 25.032 -26.999 1.00 0.00 O ATOM 727 OD2 ASP A 51 -1.935 24.736 -28.754 1.00 0.00 O ATOM 0 H ASP A 51 -5.414 25.227 -27.302 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.854 25.381 -30.051 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.512 23.051 -28.119 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.695 23.230 -29.659 1.00 0.00 H new ATOM 732 N LEU A 52 -7.324 23.424 -29.224 1.00 0.00 N ATOM 733 CA LEU A 52 -8.411 22.605 -29.749 1.00 0.00 C ATOM 734 C LEU A 52 -9.309 23.420 -30.674 1.00 0.00 C ATOM 735 O LEU A 52 -9.940 22.877 -31.582 1.00 0.00 O ATOM 736 CB LEU A 52 -9.236 22.022 -28.601 1.00 0.00 C ATOM 737 CG LEU A 52 -8.560 20.925 -27.778 1.00 0.00 C ATOM 738 CD1 LEU A 52 -9.157 20.862 -26.380 1.00 0.00 C ATOM 739 CD2 LEU A 52 -8.688 19.579 -28.475 1.00 0.00 C ATOM 0 H LEU A 52 -7.407 23.650 -28.233 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.974 21.789 -30.325 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.512 22.835 -27.929 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.162 21.621 -29.013 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.501 21.166 -27.689 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.664 20.076 -25.809 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.013 21.819 -25.879 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.223 20.646 -26.449 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.201 18.811 -27.875 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.742 19.331 -28.596 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.212 19.630 -29.454 1.00 0.00 H new ATOM 751 N LEU A 53 -9.362 24.726 -30.438 1.00 0.00 N ATOM 752 CA LEU A 53 -10.181 25.618 -31.251 1.00 0.00 C ATOM 753 C LEU A 53 -9.459 25.999 -32.539 1.00 0.00 C ATOM 754 O LEU A 53 -10.091 26.323 -33.544 1.00 0.00 O ATOM 755 CB LEU A 53 -10.537 26.879 -30.461 1.00 0.00 C ATOM 756 CG LEU A 53 -11.278 27.969 -31.235 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.552 27.414 -31.852 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.594 29.148 -30.325 1.00 0.00 C ATOM 0 H LEU A 53 -8.847 25.191 -29.690 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.098 25.090 -31.513 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.149 26.588 -29.607 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.617 27.306 -30.063 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.632 28.319 -32.040 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.066 28.205 -32.399 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.302 26.603 -32.536 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.203 27.036 -31.064 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.122 29.915 -30.893 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.221 28.812 -29.499 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.666 29.562 -29.931 1.00 0.00 H new ATOM 770 N GLU A 54 -8.131 25.955 -32.502 1.00 0.00 N ATOM 771 CA GLU A 54 -7.323 26.294 -33.667 1.00 0.00 C ATOM 772 C GLU A 54 -7.278 25.132 -34.656 1.00 0.00 C ATOM 773 O GLU A 54 -7.420 25.325 -35.864 1.00 0.00 O ATOM 774 CB GLU A 54 -5.902 26.668 -33.239 1.00 0.00 C ATOM 775 CG GLU A 54 -5.853 27.606 -32.045 1.00 0.00 C ATOM 776 CD GLU A 54 -4.981 28.822 -32.293 1.00 0.00 C ATOM 777 OE1 GLU A 54 -3.757 28.647 -32.470 1.00 0.00 O ATOM 778 OE2 GLU A 54 -5.522 29.947 -32.310 1.00 0.00 O ATOM 0 H GLU A 54 -7.592 25.688 -31.678 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.784 27.150 -34.159 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.353 25.758 -32.998 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.390 27.136 -34.080 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.864 27.932 -31.802 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.476 27.064 -31.177 1.00 0.00 H new ATOM 785 N ILE A 55 -7.080 23.926 -34.134 1.00 0.00 N ATOM 786 CA ILE A 55 -7.018 22.734 -34.969 1.00 0.00 C ATOM 787 C ILE A 55 -8.272 22.596 -35.825 1.00 0.00 C ATOM 788 O ILE A 55 -8.245 21.982 -36.891 1.00 0.00 O ATOM 789 CB ILE A 55 -6.846 21.460 -34.120 1.00 0.00 C ATOM 790 CG1 ILE A 55 -7.949 21.374 -33.063 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.473 21.441 -33.465 1.00 0.00 C ATOM 792 CD1 ILE A 55 -8.069 20.007 -32.426 1.00 0.00 C ATOM 0 H ILE A 55 -6.960 23.749 -33.137 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.150 22.848 -35.618 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.926 20.591 -34.773 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.754 22.113 -32.285 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.902 21.637 -33.522 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.367 20.535 -32.869 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.702 21.461 -34.235 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.365 22.314 -32.821 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.870 20.019 -31.687 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.294 19.266 -33.193 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.129 19.749 -31.938 1.00 0.00 H new ATOM 804 N GLY A 56 -9.372 23.173 -35.351 1.00 0.00 N ATOM 805 CA GLY A 56 -10.621 23.105 -36.086 1.00 0.00 C ATOM 806 C GLY A 56 -11.807 22.813 -35.189 1.00 0.00 C ATOM 807 O GLY A 56 -12.880 23.395 -35.357 1.00 0.00 O ATOM 0 H GLY A 56 -9.420 23.686 -34.471 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.786 24.050 -36.605 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.548 22.331 -36.850 1.00 0.00 H new ATOM 811 N ILE A 57 -11.616 21.910 -34.233 1.00 0.00 N ATOM 812 CA ILE A 57 -12.679 21.542 -33.306 1.00 0.00 C ATOM 813 C ILE A 57 -13.285 22.776 -32.648 1.00 0.00 C ATOM 814 O ILE A 57 -12.654 23.418 -31.807 1.00 0.00 O ATOM 815 CB ILE A 57 -12.166 20.589 -32.211 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.560 19.333 -32.840 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.294 20.220 -31.259 1.00 0.00 C ATOM 818 CD1 ILE A 57 -10.921 18.401 -31.834 1.00 0.00 C ATOM 0 H ILE A 57 -10.735 21.420 -34.080 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.445 21.032 -33.890 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.388 21.098 -31.642 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.339 18.794 -33.378 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.812 19.629 -33.575 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.916 19.546 -30.491 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.684 21.123 -30.789 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.092 19.726 -31.814 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.513 17.533 -32.351 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.119 18.923 -31.312 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.671 18.075 -31.113 1.00 0.00 H new ATOM 830 N LEU A 58 -14.514 23.103 -33.034 1.00 0.00 N ATOM 831 CA LEU A 58 -15.208 24.260 -32.479 1.00 0.00 C ATOM 832 C LEU A 58 -16.158 23.841 -31.362 1.00 0.00 C ATOM 833 O LEU A 58 -16.397 24.597 -30.421 1.00 0.00 O ATOM 834 CB LEU A 58 -15.984 24.988 -33.578 1.00 0.00 C ATOM 835 CG LEU A 58 -15.214 25.274 -34.867 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.062 26.097 -35.824 1.00 0.00 C ATOM 837 CD2 LEU A 58 -13.907 25.989 -34.560 1.00 0.00 C ATOM 0 H LEU A 58 -15.050 22.583 -33.729 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.461 24.935 -32.061 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.863 24.394 -33.828 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.343 25.935 -33.175 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.981 24.323 -35.347 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.497 26.291 -36.736 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.971 25.547 -36.070 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.327 27.044 -35.353 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.372 26.184 -35.489 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.118 26.933 -34.057 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.293 25.363 -33.913 1.00 0.00 H new ATOM 849 N ASN A 59 -16.694 22.630 -31.471 1.00 0.00 N ATOM 850 CA ASN A 59 -17.617 22.109 -30.468 1.00 0.00 C ATOM 851 C ASN A 59 -17.022 22.227 -29.068 1.00 0.00 C ATOM 852 O ASN A 59 -16.149 21.448 -28.686 1.00 0.00 O ATOM 853 CB ASN A 59 -17.958 20.648 -30.768 1.00 0.00 C ATOM 854 CG ASN A 59 -19.173 20.510 -31.665 1.00 0.00 C ATOM 855 OD1 ASN A 59 -19.078 20.649 -32.884 1.00 0.00 O ATOM 856 ND2 ASN A 59 -20.324 20.236 -31.062 1.00 0.00 N ATOM 0 H ASN A 59 -16.506 21.991 -32.243 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.530 22.703 -30.507 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.102 20.168 -31.244 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.139 20.120 -29.832 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -21.176 20.132 -31.613 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -20.356 20.129 -30.048 1.00 0.00 H new ATOM 863 N SER A 60 -17.501 23.207 -28.308 1.00 0.00 N ATOM 864 CA SER A 60 -17.015 23.429 -26.952 1.00 0.00 C ATOM 865 C SER A 60 -17.347 22.241 -26.054 1.00 0.00 C ATOM 866 O SER A 60 -16.521 21.801 -25.256 1.00 0.00 O ATOM 867 CB SER A 60 -17.624 24.707 -26.372 1.00 0.00 C ATOM 868 OG SER A 60 -16.833 25.839 -26.690 1.00 0.00 O ATOM 0 H SER A 60 -18.225 23.859 -28.609 1.00 0.00 H new ATOM 0 HA SER A 60 -15.931 23.538 -26.995 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.632 24.843 -26.763 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.712 24.613 -25.290 1.00 0.00 H new ATOM 0 HG SER A 60 -17.244 26.643 -26.309 1.00 0.00 H new ATOM 874 N GLY A 61 -18.566 21.726 -26.191 1.00 0.00 N ATOM 875 CA GLY A 61 -18.987 20.594 -25.387 1.00 0.00 C ATOM 876 C GLY A 61 -18.024 19.427 -25.477 1.00 0.00 C ATOM 877 O GLY A 61 -17.891 18.648 -24.534 1.00 0.00 O ATOM 0 H GLY A 61 -19.268 22.073 -26.844 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.079 20.906 -24.347 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.976 20.270 -25.711 1.00 0.00 H new ATOM 881 N HIS A 62 -17.350 19.306 -26.617 1.00 0.00 N ATOM 882 CA HIS A 62 -16.394 18.224 -26.828 1.00 0.00 C ATOM 883 C HIS A 62 -14.989 18.654 -26.415 1.00 0.00 C ATOM 884 O HIS A 62 -14.197 17.842 -25.935 1.00 0.00 O ATOM 885 CB HIS A 62 -16.397 17.791 -28.294 1.00 0.00 C ATOM 886 CG HIS A 62 -17.678 17.145 -28.724 1.00 0.00 C ATOM 887 ND1 HIS A 62 -17.942 16.794 -30.031 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.771 16.785 -28.011 1.00 0.00 C ATOM 889 CE1 HIS A 62 -19.143 16.248 -30.104 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.667 16.230 -28.892 1.00 0.00 N ATOM 0 H HIS A 62 -17.448 19.943 -27.408 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.695 17.380 -26.208 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.210 18.662 -28.922 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.575 17.095 -28.461 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.912 16.911 -26.948 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.616 15.879 -31.002 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.587 15.864 -28.649 1.00 0.00 H new ATOM 898 N ARG A 63 -14.686 19.933 -26.607 1.00 0.00 N ATOM 899 CA ARG A 63 -13.376 20.469 -26.257 1.00 0.00 C ATOM 900 C ARG A 63 -13.032 20.157 -24.804 1.00 0.00 C ATOM 901 O ARG A 63 -11.903 19.779 -24.491 1.00 0.00 O ATOM 902 CB ARG A 63 -13.342 21.981 -26.487 1.00 0.00 C ATOM 903 CG ARG A 63 -13.068 22.372 -27.930 1.00 0.00 C ATOM 904 CD ARG A 63 -12.453 23.760 -28.025 1.00 0.00 C ATOM 905 NE ARG A 63 -13.311 24.780 -27.428 1.00 0.00 N ATOM 906 CZ ARG A 63 -12.871 25.968 -27.028 1.00 0.00 C ATOM 907 NH1 ARG A 63 -11.591 26.283 -27.161 1.00 0.00 N ATOM 908 NH2 ARG A 63 -13.714 26.843 -26.494 1.00 0.00 N ATOM 0 H ARG A 63 -15.330 20.618 -27.003 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.634 19.994 -26.898 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.296 22.408 -26.179 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.575 22.420 -25.849 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.396 21.644 -28.384 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.998 22.345 -28.498 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.485 23.763 -27.525 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.272 24.006 -29.071 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.302 24.569 -27.312 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.941 25.613 -27.571 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.256 27.196 -26.853 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.700 26.603 -26.391 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.376 27.755 -26.187 1.00 0.00 H new ATOM 922 N GLN A 64 -14.012 20.320 -23.921 1.00 0.00 N ATOM 923 CA GLN A 64 -13.812 20.056 -22.501 1.00 0.00 C ATOM 924 C GLN A 64 -13.542 18.576 -22.254 1.00 0.00 C ATOM 925 O GLN A 64 -12.578 18.215 -21.579 1.00 0.00 O ATOM 926 CB GLN A 64 -15.035 20.504 -21.700 1.00 0.00 C ATOM 927 CG GLN A 64 -14.875 21.873 -21.058 1.00 0.00 C ATOM 928 CD GLN A 64 -15.260 21.879 -19.592 1.00 0.00 C ATOM 929 OE1 GLN A 64 -14.771 21.066 -18.806 1.00 0.00 O ATOM 930 NE2 GLN A 64 -16.142 22.798 -19.214 1.00 0.00 N ATOM 0 H GLN A 64 -14.952 20.633 -24.164 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.942 20.624 -22.171 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.904 20.520 -22.358 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.238 19.769 -20.922 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.840 22.199 -21.159 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.490 22.596 -21.594 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -16.522 23.452 -19.898 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.439 22.849 -18.240 1.00 0.00 H new ATOM 939 N ARG A 65 -14.399 17.723 -22.806 1.00 0.00 N ATOM 940 CA ARG A 65 -14.253 16.282 -22.644 1.00 0.00 C ATOM 941 C ARG A 65 -12.847 15.831 -23.028 1.00 0.00 C ATOM 942 O ARG A 65 -12.309 14.884 -22.452 1.00 0.00 O ATOM 943 CB ARG A 65 -15.287 15.544 -23.498 1.00 0.00 C ATOM 944 CG ARG A 65 -16.317 14.780 -22.682 1.00 0.00 C ATOM 945 CD ARG A 65 -17.413 14.205 -23.566 1.00 0.00 C ATOM 946 NE ARG A 65 -17.967 12.971 -23.017 1.00 0.00 N ATOM 947 CZ ARG A 65 -18.691 12.111 -23.726 1.00 0.00 C ATOM 948 NH1 ARG A 65 -18.945 12.351 -25.005 1.00 0.00 N ATOM 949 NH2 ARG A 65 -19.161 11.009 -23.156 1.00 0.00 N ATOM 0 H ARG A 65 -15.201 18.005 -23.369 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.419 16.041 -21.594 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.801 16.264 -24.134 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.770 14.848 -24.158 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -15.826 13.973 -22.138 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.758 15.443 -21.938 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -18.209 14.940 -23.681 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.012 14.011 -24.561 1.00 0.00 H new ATOM 0 HE ARG A 65 -17.789 12.757 -22.036 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.585 13.197 -25.447 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.501 11.690 -25.547 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.967 10.821 -22.172 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.717 10.350 -23.701 1.00 0.00 H new ATOM 963 N ILE A 66 -12.257 16.514 -24.003 1.00 0.00 N ATOM 964 CA ILE A 66 -10.914 16.185 -24.462 1.00 0.00 C ATOM 965 C ILE A 66 -9.857 16.729 -23.507 1.00 0.00 C ATOM 966 O ILE A 66 -8.864 16.061 -23.217 1.00 0.00 O ATOM 967 CB ILE A 66 -10.649 16.741 -25.874 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.677 16.189 -26.864 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.236 16.397 -26.322 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.764 16.982 -28.149 1.00 0.00 C ATOM 0 H ILE A 66 -12.689 17.299 -24.490 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.849 15.097 -24.491 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.746 17.826 -25.846 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.423 15.156 -27.101 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.657 16.175 -26.388 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.064 16.797 -27.321 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.518 16.834 -25.628 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.113 15.314 -26.338 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.512 16.534 -28.803 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.048 18.010 -27.924 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.795 16.974 -28.648 1.00 0.00 H new ATOM 982 N LEU A 67 -10.078 17.945 -23.020 1.00 0.00 N ATOM 983 CA LEU A 67 -9.146 18.579 -22.095 1.00 0.00 C ATOM 984 C LEU A 67 -8.847 17.666 -20.910 1.00 0.00 C ATOM 985 O LEU A 67 -7.689 17.481 -20.535 1.00 0.00 O ATOM 986 CB LEU A 67 -9.716 19.909 -21.597 1.00 0.00 C ATOM 987 CG LEU A 67 -9.284 21.156 -22.368 1.00 0.00 C ATOM 988 CD1 LEU A 67 -10.230 22.312 -22.087 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.854 21.535 -22.011 1.00 0.00 C ATOM 0 H LEU A 67 -10.894 18.511 -23.250 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.215 18.766 -22.629 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.804 19.848 -21.625 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.431 20.035 -20.553 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.324 20.932 -23.434 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.906 23.191 -22.645 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.240 22.039 -22.394 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.224 22.536 -21.020 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.563 22.425 -22.569 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.788 21.739 -20.942 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.185 20.713 -22.265 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.897 17.096 -20.329 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.746 16.200 -19.189 1.00 0.00 C ATOM 1003 C GLN A 68 -8.919 14.975 -19.564 1.00 0.00 C ATOM 1004 O GLN A 68 -8.061 14.535 -18.800 1.00 0.00 O ATOM 1005 CB GLN A 68 -11.118 15.764 -18.670 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.263 15.880 -17.161 1.00 0.00 C ATOM 1007 CD GLN A 68 -12.611 16.434 -16.745 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -13.067 17.450 -17.270 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -13.259 15.766 -15.798 1.00 0.00 N ATOM 0 H GLN A 68 -10.861 17.239 -20.629 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.222 16.742 -18.401 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.887 16.370 -19.148 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.297 14.730 -18.965 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.123 14.898 -16.710 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.474 16.524 -16.773 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.844 14.928 -15.390 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.172 16.090 -15.479 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.183 14.429 -20.747 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.462 13.256 -21.225 1.00 0.00 C ATOM 1020 C ALA A 69 -6.969 13.542 -21.350 1.00 0.00 C ATOM 1021 O ALA A 69 -6.137 12.763 -20.884 1.00 0.00 O ATOM 1022 CB ALA A 69 -9.027 12.797 -22.561 1.00 0.00 C ATOM 0 H ALA A 69 -9.891 14.781 -21.392 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.592 12.458 -20.494 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.479 11.920 -22.906 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.080 12.543 -22.443 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.927 13.598 -23.293 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.638 14.663 -21.981 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.245 15.051 -22.167 1.00 0.00 C ATOM 1030 C ILE A 70 -4.536 15.211 -20.827 1.00 0.00 C ATOM 1031 O ILE A 70 -3.319 15.048 -20.735 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.128 16.368 -22.957 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.805 16.231 -24.322 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.667 16.760 -23.121 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -5.983 17.549 -25.043 1.00 0.00 C ATOM 0 H ILE A 70 -7.315 15.318 -22.372 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.768 14.252 -22.735 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.634 17.155 -22.399 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.213 15.561 -24.946 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.781 15.764 -24.189 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.601 17.693 -23.681 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.214 16.894 -22.139 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.138 15.975 -23.661 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.469 17.376 -26.003 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.600 18.214 -24.439 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.008 18.008 -25.207 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.305 15.528 -19.790 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.749 15.708 -18.454 1.00 0.00 C ATOM 1049 C GLN A 71 -4.372 14.366 -17.836 1.00 0.00 C ATOM 1050 O GLN A 71 -3.478 14.288 -16.992 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.752 16.433 -17.555 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.499 17.928 -17.443 1.00 0.00 C ATOM 1053 CD GLN A 71 -5.596 18.431 -16.017 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -6.339 19.369 -15.726 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -4.844 17.809 -15.117 1.00 0.00 N ATOM 0 H GLN A 71 -6.314 15.665 -19.849 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.847 16.313 -18.542 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.758 16.271 -17.943 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.719 15.992 -16.559 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.509 18.156 -17.838 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.220 18.462 -18.062 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.242 17.036 -15.402 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.868 18.104 -14.141 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.059 13.311 -18.260 1.00 0.00 N ATOM 1065 CA LEU A 72 -4.797 11.970 -17.748 1.00 0.00 C ATOM 1066 C LEU A 72 -3.655 11.309 -18.513 1.00 0.00 C ATOM 1067 O LEU A 72 -2.972 10.428 -17.990 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.058 11.110 -17.846 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.292 11.642 -17.116 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.488 10.735 -17.360 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.015 11.773 -15.625 1.00 0.00 C ATOM 0 H LEU A 72 -5.802 13.358 -18.957 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.505 12.057 -16.701 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.309 10.987 -18.900 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.829 10.119 -17.455 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.525 12.631 -17.510 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.357 11.129 -16.833 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.700 10.692 -18.428 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.265 9.733 -16.994 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.904 12.153 -15.122 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.756 10.796 -15.216 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.186 12.464 -15.468 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.453 11.740 -19.753 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.392 11.192 -20.591 1.00 0.00 C ATOM 1085 C LEU A 73 -1.052 11.227 -19.864 1.00 0.00 C ATOM 1086 O LEU A 73 -0.852 11.985 -18.914 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.295 11.973 -21.902 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.272 11.561 -23.003 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -3.184 12.519 -24.181 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -2.996 10.134 -23.453 1.00 0.00 C ATOM 0 H LEU A 73 -4.010 12.468 -20.201 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.637 10.153 -20.812 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.449 13.030 -21.684 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.281 11.872 -22.288 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.284 11.605 -22.600 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.887 12.210 -24.955 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.431 13.527 -23.849 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.172 12.507 -24.585 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.701 9.857 -24.237 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.979 10.064 -23.838 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.111 9.457 -22.607 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.109 10.388 -20.320 1.00 0.00 N ATOM 1103 CA PRO A 74 1.230 10.306 -19.729 1.00 0.00 C ATOM 1104 C PRO A 74 2.064 11.552 -20.008 1.00 0.00 C ATOM 1105 O PRO A 74 1.823 12.267 -20.981 1.00 0.00 O ATOM 1106 CB PRO A 74 1.847 9.085 -20.416 1.00 0.00 C ATOM 1107 CG PRO A 74 1.121 8.974 -21.712 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.278 9.456 -21.447 1.00 0.00 C ATOM 0 HA PRO A 74 1.192 10.227 -18.643 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.918 9.217 -20.572 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.721 8.186 -19.813 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.602 9.578 -22.482 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.118 7.945 -22.070 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.704 9.953 -22.319 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.945 8.633 -21.191 1.00 0.00 H new ATOM 1116 N SER A 75 3.046 11.806 -19.149 1.00 0.00 N ATOM 1117 CA SER A 75 3.914 12.968 -19.302 1.00 0.00 C ATOM 1118 C SER A 75 5.224 12.771 -18.545 1.00 0.00 C ATOM 1119 O SER A 75 5.250 12.169 -17.472 1.00 0.00 O ATOM 1120 CB SER A 75 3.207 14.229 -18.801 1.00 0.00 C ATOM 1121 OG SER A 75 2.251 13.915 -17.803 1.00 0.00 O ATOM 0 H SER A 75 3.260 11.223 -18.340 1.00 0.00 H new ATOM 0 HA SER A 75 4.141 13.084 -20.362 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.942 14.926 -18.399 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.716 14.730 -19.635 1.00 0.00 H new ATOM 0 HG SER A 75 1.814 14.738 -17.498 1.00 0.00 H new ATOM 1127 N GLY A 76 6.311 13.284 -19.113 1.00 0.00 N ATOM 1128 CA GLY A 76 7.610 13.154 -18.479 1.00 0.00 C ATOM 1129 C GLY A 76 8.315 11.866 -18.859 1.00 0.00 C ATOM 1130 O GLY A 76 7.732 10.973 -19.473 1.00 0.00 O ATOM 0 H GLY A 76 6.315 13.787 -20.000 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.234 14.002 -18.759 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.488 13.192 -17.397 1.00 0.00 H new ATOM 1134 N PRO A 77 9.600 11.760 -18.492 1.00 0.00 N ATOM 1135 CA PRO A 77 10.413 10.577 -18.788 1.00 0.00 C ATOM 1136 C PRO A 77 9.980 9.358 -17.981 1.00 0.00 C ATOM 1137 O PRO A 77 10.008 8.231 -18.476 1.00 0.00 O ATOM 1138 CB PRO A 77 11.826 11.008 -18.389 1.00 0.00 C ATOM 1139 CG PRO A 77 11.623 12.072 -17.366 1.00 0.00 C ATOM 1140 CD PRO A 77 10.359 12.786 -17.757 1.00 0.00 C ATOM 0 HA PRO A 77 10.324 10.273 -19.831 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.395 10.172 -17.983 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.382 11.385 -19.247 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.536 11.642 -16.368 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.469 12.759 -17.344 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.812 13.142 -16.884 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.565 13.656 -18.380 1.00 0.00 H new ATOM 1148 N SER A 78 9.577 9.592 -16.736 1.00 0.00 N ATOM 1149 CA SER A 78 9.141 8.512 -15.858 1.00 0.00 C ATOM 1150 C SER A 78 7.980 7.742 -16.480 1.00 0.00 C ATOM 1151 O SER A 78 7.894 6.520 -16.358 1.00 0.00 O ATOM 1152 CB SER A 78 8.726 9.070 -14.495 1.00 0.00 C ATOM 1153 OG SER A 78 8.699 10.486 -14.511 1.00 0.00 O ATOM 0 H SER A 78 9.543 10.519 -16.313 1.00 0.00 H new ATOM 0 HA SER A 78 9.978 7.827 -15.722 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.741 8.687 -14.226 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.422 8.725 -13.730 1.00 0.00 H new ATOM 0 HG SER A 78 8.429 10.818 -13.629 1.00 0.00 H new ATOM 1159 N SER A 79 7.087 8.467 -17.147 1.00 0.00 N ATOM 1160 CA SER A 79 5.928 7.855 -17.786 1.00 0.00 C ATOM 1161 C SER A 79 5.139 7.013 -16.787 1.00 0.00 C ATOM 1162 O SER A 79 4.524 6.012 -17.151 1.00 0.00 O ATOM 1163 CB SER A 79 6.369 6.986 -18.966 1.00 0.00 C ATOM 1164 OG SER A 79 6.721 5.682 -18.536 1.00 0.00 O ATOM 0 H SER A 79 7.144 9.479 -17.259 1.00 0.00 H new ATOM 0 HA SER A 79 5.282 8.653 -18.153 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.564 6.926 -19.698 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.220 7.450 -19.465 1.00 0.00 H new ATOM 0 HG SER A 79 7.385 5.742 -17.818 1.00 0.00 H new ATOM 1170 N GLY A 80 5.163 7.429 -15.524 1.00 0.00 N ATOM 1171 CA GLY A 80 4.447 6.703 -14.491 1.00 0.00 C ATOM 1172 C GLY A 80 4.979 6.996 -13.102 1.00 0.00 C ATOM 1173 O GLY A 80 5.168 6.083 -12.298 1.00 0.00 O ATOM 0 H GLY A 80 5.665 8.255 -15.198 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.390 6.964 -14.534 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.520 5.633 -14.686 1.00 0.00 H new TER 1177 GLY A 80