USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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 NoAdj-H: A 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 53 GLN : amide:sc= -14.4! C(o=-28!,f=-30!) USER MOD Set 1.2: A 105 HEM CMC :methyl -30:sc= -13.7! (180deg=-9.61!) USER MOD Set 2.1: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 95 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 75 SER OG : rot -37:sc= -2.07 USER MOD Set 3.2: A 105 HEM CMB :methyl -30:sc= -3.46! (180deg=-2.08!) USER MOD Set 4.1: A 25 THR OG1 : rot -57:sc= 2.05 USER MOD Set 4.2: A 37 THR OG1 : rot 24:sc= 2.11 USER MOD Set 5.1: A 19 HIS : no HD1:sc= -18.6! C(o=-21!,f=-17!) USER MOD Set 5.2: A 24 SER OG : rot -130:sc= -2.4! USER MOD Single : A 1 ALA N :NH3+ -178:sc= 0 (180deg=-0.00498) USER MOD Single : A 4 SER OG : rot 59:sc= 1.05 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -157:sc= -0.0438 (180deg=-0.38) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 165:sc= -0.637 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.714 USER MOD Single : A 17 GLN : amide:sc= -0.353 K(o=-0.35,f=-3!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -7.04! C(o=-7!,f=-3.7!) USER MOD Single : A 21 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.9!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.0634 K(o=-0.063,f=-1.1) USER MOD Single : A 31 TYR OH : rot -34:sc= 1.37 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -3.57! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -3:sc= 1.82 USER MOD Single : A 61 ASN : amide:sc= -0.0428 X(o=-0.043,f=-0.014) USER MOD Single : A 68 SER OG : rot -91:sc= -0.0023 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -108:sc= 1.08 USER MOD Single : A 84 HIS : no HD1:sc= -11.9! C(o=-12!,f=-9.4!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0554 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -3.38 (180deg=-3.38) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.239) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 29.302 -5.647 -31.961 1.00 0.00 N ATOM 2 CA ALA A 1 30.680 -5.294 -32.255 1.00 0.00 C ATOM 3 C ALA A 1 31.064 -4.045 -31.459 1.00 0.00 C ATOM 4 O ALA A 1 32.057 -4.047 -30.733 1.00 0.00 O ATOM 5 CB ALA A 1 30.846 -5.097 -33.764 1.00 0.00 C ATOM 0 H1 ALA A 1 29.049 -6.515 -32.475 1.00 0.00 H new ATOM 0 H2 ALA A 1 29.195 -5.806 -30.939 1.00 0.00 H new ATOM 0 H3 ALA A 1 28.674 -4.873 -32.259 1.00 0.00 H new ATOM 0 HA ALA A 1 31.354 -6.096 -31.954 1.00 0.00 H new ATOM 0 HB1 ALA A 1 31.880 -4.832 -33.985 1.00 0.00 H new ATOM 0 HB2 ALA A 1 30.590 -6.021 -34.282 1.00 0.00 H new ATOM 0 HB3 ALA A 1 30.187 -4.297 -34.101 1.00 0.00 H new ATOM 11 N GLU A 2 30.256 -3.007 -31.622 1.00 0.00 N ATOM 12 CA GLU A 2 30.498 -1.754 -30.928 1.00 0.00 C ATOM 13 C GLU A 2 29.194 -0.967 -30.784 1.00 0.00 C ATOM 14 O GLU A 2 29.126 0.203 -31.159 1.00 0.00 O ATOM 15 CB GLU A 2 31.563 -0.924 -31.648 1.00 0.00 C ATOM 16 CG GLU A 2 31.825 0.390 -30.911 1.00 0.00 C ATOM 17 CD GLU A 2 33.279 0.835 -31.083 1.00 0.00 C ATOM 18 OE1 GLU A 2 33.842 0.531 -32.156 1.00 0.00 O ATOM 19 OE2 GLU A 2 33.793 1.469 -30.136 1.00 0.00 O ATOM 0 H GLU A 2 29.433 -3.009 -32.225 1.00 0.00 H new ATOM 0 HA GLU A 2 30.875 -1.981 -29.931 1.00 0.00 H new ATOM 0 HB2 GLU A 2 32.488 -1.496 -31.719 1.00 0.00 H new ATOM 0 HB3 GLU A 2 31.238 -0.715 -32.667 1.00 0.00 H new ATOM 0 HG2 GLU A 2 31.157 1.163 -31.290 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.601 0.268 -29.851 1.00 0.00 H new ATOM 26 N GLU A 3 28.191 -1.639 -30.239 1.00 0.00 N ATOM 27 CA GLU A 3 26.893 -1.017 -30.041 1.00 0.00 C ATOM 28 C GLU A 3 25.932 -1.998 -29.366 1.00 0.00 C ATOM 29 O GLU A 3 26.277 -3.158 -29.145 1.00 0.00 O ATOM 30 CB GLU A 3 26.319 -0.511 -31.365 1.00 0.00 C ATOM 31 CG GLU A 3 26.103 -1.666 -32.346 1.00 0.00 C ATOM 32 CD GLU A 3 25.058 -1.299 -33.403 1.00 0.00 C ATOM 33 OE1 GLU A 3 25.145 -0.164 -33.915 1.00 0.00 O ATOM 34 OE2 GLU A 3 24.198 -2.164 -33.674 1.00 0.00 O ATOM 0 H GLU A 3 28.251 -2.609 -29.928 1.00 0.00 H new ATOM 0 HA GLU A 3 27.021 -0.155 -29.386 1.00 0.00 H new ATOM 0 HB2 GLU A 3 25.373 -0.001 -31.184 1.00 0.00 H new ATOM 0 HB3 GLU A 3 26.997 0.221 -31.803 1.00 0.00 H new ATOM 0 HG2 GLU A 3 27.046 -1.916 -32.833 1.00 0.00 H new ATOM 0 HG3 GLU A 3 25.780 -2.554 -31.803 1.00 0.00 H new ATOM 41 N SER A 4 24.745 -1.497 -29.057 1.00 0.00 N ATOM 42 CA SER A 4 23.732 -2.314 -28.413 1.00 0.00 C ATOM 43 C SER A 4 22.502 -1.464 -28.088 1.00 0.00 C ATOM 44 O SER A 4 22.616 -0.259 -27.867 1.00 0.00 O ATOM 45 CB SER A 4 24.277 -2.966 -27.141 1.00 0.00 C ATOM 46 OG SER A 4 24.694 -4.309 -27.365 1.00 0.00 O ATOM 0 H SER A 4 24.462 -0.534 -29.241 1.00 0.00 H new ATOM 0 HA SER A 4 23.445 -3.108 -29.102 1.00 0.00 H new ATOM 0 HB2 SER A 4 25.119 -2.383 -26.767 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.509 -2.949 -26.368 1.00 0.00 H new ATOM 0 HG SER A 4 25.393 -4.324 -28.052 1.00 0.00 H new ATOM 52 N SER A 5 21.353 -2.123 -28.070 1.00 0.00 N ATOM 53 CA SER A 5 20.104 -1.444 -27.776 1.00 0.00 C ATOM 54 C SER A 5 18.933 -2.423 -27.896 1.00 0.00 C ATOM 55 O SER A 5 18.980 -3.355 -28.697 1.00 0.00 O ATOM 56 CB SER A 5 19.894 -0.250 -28.709 1.00 0.00 C ATOM 57 OG SER A 5 19.715 0.967 -27.988 1.00 0.00 O ATOM 0 H SER A 5 21.261 -3.122 -28.255 1.00 0.00 H new ATOM 0 HA SER A 5 20.152 -1.069 -26.754 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.752 -0.154 -29.374 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.022 -0.430 -29.338 1.00 0.00 H new ATOM 0 HG SER A 5 19.586 1.705 -28.619 1.00 0.00 H new ATOM 63 N LYS A 6 17.913 -2.178 -27.089 1.00 0.00 N ATOM 64 CA LYS A 6 16.734 -3.025 -27.094 1.00 0.00 C ATOM 65 C LYS A 6 15.614 -2.341 -26.305 1.00 0.00 C ATOM 66 O LYS A 6 15.796 -1.238 -25.795 1.00 0.00 O ATOM 67 CB LYS A 6 17.078 -4.426 -26.584 1.00 0.00 C ATOM 68 CG LYS A 6 17.368 -4.406 -25.082 1.00 0.00 C ATOM 69 CD LYS A 6 18.743 -5.008 -24.780 1.00 0.00 C ATOM 70 CE LYS A 6 19.272 -4.515 -23.431 1.00 0.00 C ATOM 71 NZ LYS A 6 19.632 -3.082 -23.508 1.00 0.00 N ATOM 0 H LYS A 6 17.879 -1.404 -26.426 1.00 0.00 H new ATOM 0 HA LYS A 6 16.369 -3.162 -28.112 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.251 -5.105 -26.789 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.946 -4.809 -27.121 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.327 -3.381 -24.714 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.598 -4.966 -24.552 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.674 -6.096 -24.772 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.444 -4.738 -25.570 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.516 -4.665 -22.660 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.144 -5.100 -23.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.323 -2.857 -22.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.047 -2.878 -24.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.779 -2.502 -23.374 1.00 0.00 H new ATOM 85 N ALA A 7 14.483 -3.027 -26.230 1.00 0.00 N ATOM 86 CA ALA A 7 13.336 -2.499 -25.513 1.00 0.00 C ATOM 87 C ALA A 7 13.099 -3.335 -24.253 1.00 0.00 C ATOM 88 O ALA A 7 13.405 -4.526 -24.228 1.00 0.00 O ATOM 89 CB ALA A 7 12.117 -2.482 -26.437 1.00 0.00 C ATOM 0 H ALA A 7 14.337 -3.943 -26.654 1.00 0.00 H new ATOM 0 HA ALA A 7 13.521 -1.472 -25.199 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.257 -2.085 -25.897 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.325 -1.852 -27.302 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.899 -3.496 -26.771 1.00 0.00 H new ATOM 95 N VAL A 8 12.555 -2.679 -23.239 1.00 0.00 N ATOM 96 CA VAL A 8 12.275 -3.346 -21.979 1.00 0.00 C ATOM 97 C VAL A 8 11.784 -4.769 -22.259 1.00 0.00 C ATOM 98 O VAL A 8 12.493 -5.738 -21.989 1.00 0.00 O ATOM 99 CB VAL A 8 11.278 -2.521 -21.160 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.359 -1.707 -22.073 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.466 -3.416 -20.222 1.00 0.00 C ATOM 0 H VAL A 8 12.300 -1.692 -23.264 1.00 0.00 H new ATOM 0 HA VAL A 8 13.182 -3.426 -21.379 1.00 0.00 H new ATOM 0 HB VAL A 8 11.846 -1.821 -20.547 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.661 -1.130 -21.466 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.958 -1.028 -22.680 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.803 -2.381 -22.724 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.766 -2.805 -19.652 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.913 -4.151 -20.808 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.139 -3.931 -19.537 1.00 0.00 H new ATOM 111 N LYS A 9 10.577 -4.849 -22.797 1.00 0.00 N ATOM 112 CA LYS A 9 9.983 -6.136 -23.116 1.00 0.00 C ATOM 113 C LYS A 9 9.501 -6.805 -21.828 1.00 0.00 C ATOM 114 O LYS A 9 8.317 -7.108 -21.688 1.00 0.00 O ATOM 115 CB LYS A 9 10.963 -6.992 -23.923 1.00 0.00 C ATOM 116 CG LYS A 9 10.395 -7.318 -25.306 1.00 0.00 C ATOM 117 CD LYS A 9 10.745 -8.751 -25.718 1.00 0.00 C ATOM 118 CE LYS A 9 10.585 -8.940 -27.227 1.00 0.00 C ATOM 119 NZ LYS A 9 9.865 -10.200 -27.518 1.00 0.00 N ATOM 0 H LYS A 9 9.993 -4.043 -23.020 1.00 0.00 H new ATOM 0 HA LYS A 9 9.109 -6.004 -23.753 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.910 -6.464 -24.030 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.173 -7.916 -23.385 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.312 -7.192 -25.298 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.792 -6.617 -26.041 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.770 -8.977 -25.426 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.101 -9.453 -25.189 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.039 -8.096 -27.649 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.565 -8.956 -27.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.765 -10.313 -28.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.401 -11.003 -27.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.922 -10.170 -27.080 1.00 0.00 H new ATOM 133 N TYR A 10 10.442 -7.013 -20.919 1.00 0.00 N ATOM 134 CA TYR A 10 10.127 -7.641 -19.646 1.00 0.00 C ATOM 135 C TYR A 10 10.829 -6.921 -18.492 1.00 0.00 C ATOM 136 O TYR A 10 12.046 -6.744 -18.515 1.00 0.00 O ATOM 137 CB TYR A 10 10.660 -9.072 -19.738 1.00 0.00 C ATOM 138 CG TYR A 10 11.400 -9.379 -21.041 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.707 -8.966 -21.206 1.00 0.00 C ATOM 140 CD2 TYR A 10 10.760 -10.067 -22.053 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.403 -9.255 -22.434 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.456 -10.355 -23.279 1.00 0.00 C ATOM 143 CZ TYR A 10 12.743 -9.935 -23.410 1.00 0.00 C ATOM 144 OH TYR A 10 13.401 -10.206 -24.568 1.00 0.00 O ATOM 0 H TYR A 10 11.422 -6.758 -21.038 1.00 0.00 H new ATOM 0 HA TYR A 10 9.054 -7.606 -19.456 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.332 -9.253 -18.899 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.826 -9.766 -19.634 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.207 -8.427 -20.415 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.737 -10.389 -21.924 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.426 -8.939 -22.576 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.967 -10.893 -24.078 1.00 0.00 H new ATOM 0 HH TYR A 10 12.911 -10.890 -25.071 1.00 0.00 H new ATOM 154 N TYR A 11 10.032 -6.527 -17.511 1.00 0.00 N ATOM 155 CA TYR A 11 10.561 -5.831 -16.350 1.00 0.00 C ATOM 156 C TYR A 11 9.945 -6.372 -15.059 1.00 0.00 C ATOM 157 O TYR A 11 9.038 -7.201 -15.099 1.00 0.00 O ATOM 158 CB TYR A 11 10.158 -4.364 -16.518 1.00 0.00 C ATOM 159 CG TYR A 11 11.327 -3.429 -16.834 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.589 -3.718 -16.356 1.00 0.00 C ATOM 161 CD2 TYR A 11 11.120 -2.299 -17.598 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.690 -2.839 -16.654 1.00 0.00 C ATOM 163 CE2 TYR A 11 12.221 -1.420 -17.895 1.00 0.00 C ATOM 164 CZ TYR A 11 13.451 -1.733 -17.409 1.00 0.00 C ATOM 165 OH TYR A 11 14.491 -0.901 -17.690 1.00 0.00 O ATOM 0 H TYR A 11 9.023 -6.676 -17.496 1.00 0.00 H new ATOM 0 HA TYR A 11 11.641 -5.963 -16.282 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.421 -4.290 -17.317 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.672 -4.025 -15.603 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.751 -4.603 -15.759 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.133 -2.074 -17.973 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.683 -3.053 -16.286 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.073 -0.532 -18.491 1.00 0.00 H new ATOM 0 HH TYR A 11 14.173 -0.154 -18.238 1.00 0.00 H new ATOM 175 N THR A 12 10.465 -5.881 -13.943 1.00 0.00 N ATOM 176 CA THR A 12 9.978 -6.306 -12.640 1.00 0.00 C ATOM 177 C THR A 12 9.133 -5.202 -12.002 1.00 0.00 C ATOM 178 O THR A 12 9.368 -4.018 -12.241 1.00 0.00 O ATOM 179 CB THR A 12 11.185 -6.713 -11.794 1.00 0.00 C ATOM 180 OG1 THR A 12 11.855 -5.485 -11.529 1.00 0.00 O ATOM 181 CG2 THR A 12 12.207 -7.531 -12.587 1.00 0.00 C ATOM 0 H THR A 12 11.218 -5.194 -13.914 1.00 0.00 H new ATOM 0 HA THR A 12 9.318 -7.169 -12.726 1.00 0.00 H new ATOM 0 HB THR A 12 10.846 -7.290 -10.934 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.650 -5.657 -10.983 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.044 -7.794 -11.940 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.735 -8.441 -12.958 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.571 -6.941 -13.429 1.00 0.00 H new ATOM 189 N LEU A 13 8.165 -5.628 -11.203 1.00 0.00 N ATOM 190 CA LEU A 13 7.285 -4.690 -10.528 1.00 0.00 C ATOM 191 C LEU A 13 8.108 -3.513 -10.000 1.00 0.00 C ATOM 192 O LEU A 13 7.652 -2.371 -10.027 1.00 0.00 O ATOM 193 CB LEU A 13 6.469 -5.404 -9.446 1.00 0.00 C ATOM 194 CG LEU A 13 5.089 -5.907 -9.871 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.323 -6.480 -8.676 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.300 -4.806 -10.584 1.00 0.00 C ATOM 0 H LEU A 13 7.971 -6.610 -11.008 1.00 0.00 H new ATOM 0 HA LEU A 13 6.556 -4.281 -11.228 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.048 -6.253 -9.083 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.342 -4.722 -8.605 1.00 0.00 H new ATOM 0 HG LEU A 13 5.226 -6.719 -10.585 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.345 -6.831 -9.005 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.883 -7.313 -8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.195 -5.705 -7.920 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.322 -5.190 -10.876 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.171 -3.957 -9.912 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.844 -4.486 -11.473 1.00 0.00 H new ATOM 208 N GLU A 14 9.307 -3.832 -9.533 1.00 0.00 N ATOM 209 CA GLU A 14 10.197 -2.814 -9.001 1.00 0.00 C ATOM 210 C GLU A 14 10.607 -1.837 -10.105 1.00 0.00 C ATOM 211 O GLU A 14 10.553 -0.624 -9.916 1.00 0.00 O ATOM 212 CB GLU A 14 11.425 -3.450 -8.347 1.00 0.00 C ATOM 213 CG GLU A 14 11.444 -3.182 -6.840 1.00 0.00 C ATOM 214 CD GLU A 14 10.974 -4.410 -6.059 1.00 0.00 C ATOM 215 OE1 GLU A 14 11.832 -5.282 -5.803 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.768 -4.449 -5.736 1.00 0.00 O ATOM 0 H GLU A 14 9.682 -4.780 -9.512 1.00 0.00 H new ATOM 0 HA GLU A 14 9.663 -2.257 -8.231 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.423 -4.525 -8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.332 -3.051 -8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.453 -2.912 -6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.801 -2.332 -6.610 1.00 0.00 H new ATOM 223 N GLU A 15 11.007 -2.403 -11.234 1.00 0.00 N ATOM 224 CA GLU A 15 11.425 -1.597 -12.368 1.00 0.00 C ATOM 225 C GLU A 15 10.325 -0.605 -12.749 1.00 0.00 C ATOM 226 O GLU A 15 10.611 0.531 -13.119 1.00 0.00 O ATOM 227 CB GLU A 15 11.804 -2.481 -13.559 1.00 0.00 C ATOM 228 CG GLU A 15 13.015 -3.355 -13.229 1.00 0.00 C ATOM 229 CD GLU A 15 14.321 -2.633 -13.570 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.304 -1.383 -13.537 1.00 0.00 O ATOM 231 OE2 GLU A 15 15.306 -3.346 -13.858 1.00 0.00 O ATOM 0 H GLU A 15 11.050 -3.410 -11.388 1.00 0.00 H new ATOM 0 HA GLU A 15 12.312 -1.032 -12.080 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.958 -3.113 -13.831 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.027 -1.856 -14.424 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.004 -3.613 -12.170 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.956 -4.290 -13.786 1.00 0.00 H new ATOM 238 N ILE A 16 9.089 -1.073 -12.646 1.00 0.00 N ATOM 239 CA ILE A 16 7.945 -0.241 -12.975 1.00 0.00 C ATOM 240 C ILE A 16 7.726 0.784 -11.859 1.00 0.00 C ATOM 241 O ILE A 16 7.295 1.906 -12.118 1.00 0.00 O ATOM 242 CB ILE A 16 6.717 -1.107 -13.264 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.078 -2.279 -14.180 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.574 -0.265 -13.833 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.638 -3.609 -13.566 1.00 0.00 C ATOM 0 H ILE A 16 8.856 -2.017 -12.339 1.00 0.00 H new ATOM 0 HA ILE A 16 8.134 0.320 -13.891 1.00 0.00 H new ATOM 0 HB ILE A 16 6.366 -1.530 -12.322 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.601 -2.147 -15.151 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.154 -2.292 -14.353 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.714 -0.905 -14.029 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.297 0.505 -13.114 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.896 0.205 -14.762 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.906 -4.426 -14.236 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.136 -3.749 -12.606 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.558 -3.601 -13.417 1.00 0.00 H new ATOM 257 N GLN A 17 8.035 0.359 -10.642 1.00 0.00 N ATOM 258 CA GLN A 17 7.878 1.225 -9.486 1.00 0.00 C ATOM 259 C GLN A 17 8.826 2.420 -9.586 1.00 0.00 C ATOM 260 O GLN A 17 8.520 3.503 -9.087 1.00 0.00 O ATOM 261 CB GLN A 17 8.105 0.451 -8.187 1.00 0.00 C ATOM 262 CG GLN A 17 7.159 0.935 -7.087 1.00 0.00 C ATOM 263 CD GLN A 17 7.924 1.695 -6.001 1.00 0.00 C ATOM 264 OE1 GLN A 17 9.136 1.826 -6.036 1.00 0.00 O ATOM 265 NE2 GLN A 17 7.150 2.187 -5.038 1.00 0.00 N ATOM 0 H GLN A 17 8.393 -0.573 -10.432 1.00 0.00 H new ATOM 0 HA GLN A 17 6.854 1.599 -9.473 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.950 -0.614 -8.362 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.138 0.573 -7.863 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.395 1.581 -7.518 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.643 0.083 -6.645 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.141 2.041 -5.070 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.565 2.711 -4.268 1.00 0.00 H new ATOM 274 N LYS A 18 9.958 2.186 -10.233 1.00 0.00 N ATOM 275 CA LYS A 18 10.953 3.232 -10.404 1.00 0.00 C ATOM 276 C LYS A 18 10.414 4.289 -11.370 1.00 0.00 C ATOM 277 O LYS A 18 10.718 5.474 -11.232 1.00 0.00 O ATOM 278 CB LYS A 18 12.292 2.630 -10.835 1.00 0.00 C ATOM 279 CG LYS A 18 12.755 1.558 -9.848 1.00 0.00 C ATOM 280 CD LYS A 18 13.556 2.177 -8.700 1.00 0.00 C ATOM 281 CE LYS A 18 14.885 2.745 -9.205 1.00 0.00 C ATOM 282 NZ LYS A 18 15.761 3.098 -8.066 1.00 0.00 N ATOM 0 H LYS A 18 10.209 1.287 -10.645 1.00 0.00 H new ATOM 0 HA LYS A 18 11.146 3.735 -9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.196 2.196 -11.830 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.044 3.417 -10.902 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.890 1.029 -9.448 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.368 0.821 -10.367 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.973 2.969 -8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.745 1.423 -7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.382 2.013 -9.841 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.701 3.627 -9.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.659 3.482 -8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.290 3.812 -7.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.950 2.248 -7.497 1.00 0.00 H new ATOM 296 N HIS A 19 9.624 3.823 -12.326 1.00 0.00 N ATOM 297 CA HIS A 19 9.041 4.715 -13.315 1.00 0.00 C ATOM 298 C HIS A 19 7.677 5.201 -12.824 1.00 0.00 C ATOM 299 O HIS A 19 6.645 4.634 -13.181 1.00 0.00 O ATOM 300 CB HIS A 19 8.971 4.036 -14.685 1.00 0.00 C ATOM 301 CG HIS A 19 10.125 4.377 -15.597 1.00 0.00 C ATOM 302 ND1 HIS A 19 11.307 3.658 -15.612 1.00 0.00 N ATOM 303 CD2 HIS A 19 10.263 5.364 -16.528 1.00 0.00 C ATOM 304 CE1 HIS A 19 12.115 4.198 -16.512 1.00 0.00 C ATOM 305 NE2 HIS A 19 11.466 5.256 -17.078 1.00 0.00 N ATOM 0 H HIS A 19 9.374 2.840 -12.437 1.00 0.00 H new ATOM 0 HA HIS A 19 9.677 5.591 -13.441 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.940 2.956 -14.543 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.039 4.320 -15.173 1.00 0.00 H new ATOM 0 HD2 HIS A 19 9.520 6.107 -16.776 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.112 3.860 -16.755 1.00 0.00 H new ATOM 0 HE2 HIS A 19 11.843 5.864 -17.805 1.00 0.00 H new ATOM 314 N ASN A 20 7.714 6.250 -12.014 1.00 0.00 N ATOM 315 CA ASN A 20 6.493 6.820 -11.471 1.00 0.00 C ATOM 316 C ASN A 20 6.643 8.339 -11.374 1.00 0.00 C ATOM 317 O ASN A 20 6.057 8.968 -10.495 1.00 0.00 O ATOM 318 CB ASN A 20 6.210 6.281 -10.067 1.00 0.00 C ATOM 319 CG ASN A 20 5.042 7.026 -9.418 1.00 0.00 C ATOM 320 OD1 ASN A 20 4.977 7.205 -8.213 1.00 0.00 O ATOM 321 ND2 ASN A 20 4.125 7.452 -10.284 1.00 0.00 N ATOM 0 H ASN A 20 8.571 6.720 -11.721 1.00 0.00 H new ATOM 0 HA ASN A 20 5.671 6.549 -12.133 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.982 5.217 -10.122 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.101 6.384 -9.448 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.307 7.962 -9.951 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.241 7.268 -11.281 1.00 0.00 H new ATOM 328 N ASN A 21 7.433 8.882 -12.287 1.00 0.00 N ATOM 329 CA ASN A 21 7.668 10.316 -12.315 1.00 0.00 C ATOM 330 C ASN A 21 6.939 10.926 -13.513 1.00 0.00 C ATOM 331 O ASN A 21 6.480 10.204 -14.398 1.00 0.00 O ATOM 332 CB ASN A 21 9.160 10.627 -12.462 1.00 0.00 C ATOM 333 CG ASN A 21 9.844 10.691 -11.096 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.230 10.966 -10.077 1.00 0.00 O ATOM 335 ND2 ASN A 21 11.146 10.423 -11.129 1.00 0.00 N ATOM 0 H ASN A 21 7.919 8.356 -13.013 1.00 0.00 H new ATOM 0 HA ASN A 21 7.302 10.735 -11.378 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.636 9.862 -13.075 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.288 11.577 -12.981 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.692 10.440 -10.268 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.599 10.200 -12.016 1.00 0.00 H new ATOM 342 N SER A 22 6.854 12.249 -13.504 1.00 0.00 N ATOM 343 CA SER A 22 6.188 12.963 -14.581 1.00 0.00 C ATOM 344 C SER A 22 6.954 12.769 -15.890 1.00 0.00 C ATOM 345 O SER A 22 6.449 13.099 -16.962 1.00 0.00 O ATOM 346 CB SER A 22 6.058 14.452 -14.255 1.00 0.00 C ATOM 347 OG SER A 22 7.312 15.033 -13.903 1.00 0.00 O ATOM 0 H SER A 22 7.235 12.844 -12.769 1.00 0.00 H new ATOM 0 HA SER A 22 5.184 12.555 -14.693 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.644 14.977 -15.116 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.354 14.583 -13.433 1.00 0.00 H new ATOM 0 HG SER A 22 7.187 15.984 -13.704 1.00 0.00 H new ATOM 353 N LYS A 23 8.160 12.237 -15.761 1.00 0.00 N ATOM 354 CA LYS A 23 9.000 11.997 -16.920 1.00 0.00 C ATOM 355 C LYS A 23 9.204 10.490 -17.094 1.00 0.00 C ATOM 356 O LYS A 23 9.719 10.044 -18.119 1.00 0.00 O ATOM 357 CB LYS A 23 10.308 12.784 -16.808 1.00 0.00 C ATOM 358 CG LYS A 23 10.633 13.495 -18.122 1.00 0.00 C ATOM 359 CD LYS A 23 11.833 12.847 -18.814 1.00 0.00 C ATOM 360 CE LYS A 23 12.452 13.795 -19.844 1.00 0.00 C ATOM 361 NZ LYS A 23 13.919 13.871 -19.663 1.00 0.00 N ATOM 0 H LYS A 23 8.575 11.965 -14.870 1.00 0.00 H new ATOM 0 HA LYS A 23 8.512 12.361 -17.824 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.229 13.516 -16.004 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.122 12.108 -16.545 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.766 13.461 -18.782 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.845 14.546 -17.928 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.582 12.574 -18.070 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.520 11.926 -19.305 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.221 13.448 -20.851 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.015 14.788 -19.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.323 14.518 -20.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.133 14.223 -18.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.333 12.925 -19.784 1.00 0.00 H new ATOM 375 N SER A 24 8.790 9.749 -16.078 1.00 0.00 N ATOM 376 CA SER A 24 8.919 8.301 -16.104 1.00 0.00 C ATOM 377 C SER A 24 7.663 7.651 -15.522 1.00 0.00 C ATOM 378 O SER A 24 7.643 7.267 -14.354 1.00 0.00 O ATOM 379 CB SER A 24 10.159 7.845 -15.334 1.00 0.00 C ATOM 380 OG SER A 24 11.282 7.657 -16.192 1.00 0.00 O ATOM 0 H SER A 24 8.364 10.124 -15.230 1.00 0.00 H new ATOM 0 HA SER A 24 9.033 7.987 -17.142 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.405 8.585 -14.572 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.940 6.912 -14.814 1.00 0.00 H new ATOM 0 HG SER A 24 11.685 6.781 -16.017 1.00 0.00 H new ATOM 386 N THR A 25 6.644 7.549 -16.362 1.00 0.00 N ATOM 387 CA THR A 25 5.386 6.953 -15.946 1.00 0.00 C ATOM 388 C THR A 25 5.233 5.554 -16.545 1.00 0.00 C ATOM 389 O THR A 25 4.941 5.412 -17.730 1.00 0.00 O ATOM 390 CB THR A 25 4.256 7.908 -16.337 1.00 0.00 C ATOM 391 OG1 THR A 25 4.888 9.184 -16.399 1.00 0.00 O ATOM 392 CG2 THR A 25 3.210 8.062 -15.232 1.00 0.00 C ATOM 0 H THR A 25 6.664 7.870 -17.330 1.00 0.00 H new ATOM 0 HA THR A 25 5.354 6.815 -14.865 1.00 0.00 H new ATOM 0 HB THR A 25 3.772 7.547 -17.245 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.307 9.384 -15.536 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.431 8.750 -15.561 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.767 7.091 -15.013 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.685 8.455 -14.333 1.00 0.00 H new ATOM 400 N TRP A 26 5.439 4.556 -15.698 1.00 0.00 N ATOM 401 CA TRP A 26 5.329 3.173 -16.129 1.00 0.00 C ATOM 402 C TRP A 26 4.307 2.477 -15.229 1.00 0.00 C ATOM 403 O TRP A 26 4.232 2.761 -14.034 1.00 0.00 O ATOM 404 CB TRP A 26 6.697 2.485 -16.124 1.00 0.00 C ATOM 405 CG TRP A 26 7.674 3.035 -17.166 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.890 4.313 -17.501 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.563 2.263 -18.001 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.850 4.424 -18.486 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.272 3.136 -18.799 1.00 0.00 C ATOM 410 CE3 TRP A 26 8.761 0.873 -18.079 1.00 0.00 C ATOM 411 CZ2 TRP A 26 10.227 2.717 -19.735 1.00 0.00 C ATOM 412 CZ3 TRP A 26 9.718 0.470 -19.017 1.00 0.00 C ATOM 413 CH2 TRP A 26 10.441 1.336 -19.830 1.00 0.00 C ATOM 0 H TRP A 26 5.682 4.678 -14.715 1.00 0.00 H new ATOM 0 HA TRP A 26 4.980 3.118 -17.160 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.141 2.589 -15.134 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.557 1.418 -16.300 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.377 5.153 -17.056 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.188 5.290 -18.907 1.00 0.00 H new ATOM 0 HE3 TRP A 26 8.217 0.172 -17.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.769 3.421 -20.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 9.909 -0.588 -19.117 1.00 0.00 H new ATOM 0 HH2 TRP A 26 11.164 0.946 -20.531 1.00 0.00 H new ATOM 424 N LEU A 27 3.546 1.579 -15.837 1.00 0.00 N ATOM 425 CA LEU A 27 2.530 0.840 -15.106 1.00 0.00 C ATOM 426 C LEU A 27 2.284 -0.502 -15.798 1.00 0.00 C ATOM 427 O LEU A 27 2.830 -0.761 -16.869 1.00 0.00 O ATOM 428 CB LEU A 27 1.267 1.686 -14.938 1.00 0.00 C ATOM 429 CG LEU A 27 0.282 1.658 -16.109 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.020 1.680 -17.448 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.667 0.464 -15.997 1.00 0.00 C ATOM 0 H LEU A 27 3.612 1.346 -16.828 1.00 0.00 H new ATOM 0 HA LEU A 27 2.874 0.620 -14.095 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.745 1.351 -14.042 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.566 2.720 -14.765 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.328 2.560 -16.064 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.296 1.659 -18.263 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.620 2.588 -17.518 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.671 0.809 -17.519 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.357 0.467 -16.841 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.090 -0.461 -16.003 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.231 0.534 -15.067 1.00 0.00 H new ATOM 443 N ILE A 28 1.461 -1.320 -15.157 1.00 0.00 N ATOM 444 CA ILE A 28 1.138 -2.629 -15.698 1.00 0.00 C ATOM 445 C ILE A 28 -0.355 -2.679 -16.037 1.00 0.00 C ATOM 446 O ILE A 28 -1.191 -2.281 -15.228 1.00 0.00 O ATOM 447 CB ILE A 28 1.588 -3.731 -14.738 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.617 -3.202 -13.737 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.112 -4.947 -15.508 1.00 0.00 C ATOM 450 CD1 ILE A 28 4.015 -3.158 -14.357 1.00 0.00 C ATOM 0 H ILE A 28 1.009 -1.101 -14.269 1.00 0.00 H new ATOM 0 HA ILE A 28 1.683 -2.805 -16.625 1.00 0.00 H new ATOM 0 HB ILE A 28 0.721 -4.059 -14.165 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.330 -2.203 -13.409 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.628 -3.838 -12.852 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.426 -5.717 -14.803 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.322 -5.341 -16.147 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.962 -4.650 -16.123 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.726 -2.778 -13.624 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.310 -4.162 -14.662 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.006 -2.502 -15.228 1.00 0.00 H new ATOM 462 N LEU A 29 -0.641 -3.175 -17.231 1.00 0.00 N ATOM 463 CA LEU A 29 -2.017 -3.284 -17.685 1.00 0.00 C ATOM 464 C LEU A 29 -2.271 -4.704 -18.193 1.00 0.00 C ATOM 465 O LEU A 29 -1.643 -5.146 -19.153 1.00 0.00 O ATOM 466 CB LEU A 29 -2.327 -2.197 -18.717 1.00 0.00 C ATOM 467 CG LEU A 29 -3.632 -1.427 -18.509 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.067 -0.725 -19.797 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.727 -2.342 -17.957 1.00 0.00 C ATOM 0 H LEU A 29 0.056 -3.506 -17.898 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.706 -3.113 -16.858 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.504 -1.483 -18.721 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.354 -2.658 -19.704 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.455 -0.651 -17.764 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.997 -0.185 -19.621 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.293 -0.023 -20.108 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.221 -1.466 -20.581 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.644 -1.769 -17.818 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.910 -3.155 -18.659 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.408 -2.754 -16.999 1.00 0.00 H new ATOM 481 N HIS A 30 -3.194 -5.380 -17.525 1.00 0.00 N ATOM 482 CA HIS A 30 -3.539 -6.742 -17.896 1.00 0.00 C ATOM 483 C HIS A 30 -2.427 -7.693 -17.449 1.00 0.00 C ATOM 484 O HIS A 30 -2.684 -8.664 -16.738 1.00 0.00 O ATOM 485 CB HIS A 30 -3.834 -6.839 -19.394 1.00 0.00 C ATOM 486 CG HIS A 30 -4.546 -8.107 -19.799 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.087 -8.935 -20.808 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.686 -8.683 -19.319 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.921 -9.959 -20.924 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.911 -9.800 -20.000 1.00 0.00 N ATOM 0 H HIS A 30 -3.714 -5.010 -16.729 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.454 -7.041 -17.384 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.441 -5.983 -19.690 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.895 -6.770 -19.944 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.301 -8.296 -18.520 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.832 -10.775 -21.626 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.696 -10.435 -19.856 1.00 0.00 H new ATOM 499 N TYR A 31 -1.216 -7.382 -17.883 1.00 0.00 N ATOM 500 CA TYR A 31 -0.063 -8.196 -17.536 1.00 0.00 C ATOM 501 C TYR A 31 1.219 -7.618 -18.139 1.00 0.00 C ATOM 502 O TYR A 31 2.319 -8.046 -17.794 1.00 0.00 O ATOM 503 CB TYR A 31 -0.323 -9.575 -18.147 1.00 0.00 C ATOM 504 CG TYR A 31 0.230 -9.743 -19.564 1.00 0.00 C ATOM 505 CD1 TYR A 31 1.584 -9.932 -19.757 1.00 0.00 C ATOM 506 CD2 TYR A 31 -0.624 -9.705 -20.647 1.00 0.00 C ATOM 507 CE1 TYR A 31 2.104 -10.090 -21.090 1.00 0.00 C ATOM 508 CE2 TYR A 31 -0.102 -9.864 -21.980 1.00 0.00 C ATOM 509 CZ TYR A 31 1.237 -10.047 -22.135 1.00 0.00 C ATOM 510 OH TYR A 31 1.727 -10.197 -23.395 1.00 0.00 O ATOM 0 H TYR A 31 -1.007 -6.577 -18.473 1.00 0.00 H new ATOM 0 HA TYR A 31 0.068 -8.235 -16.455 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.119 -10.335 -17.503 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.398 -9.757 -18.164 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.252 -9.961 -18.909 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.683 -9.556 -20.495 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.161 -10.240 -21.256 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.759 -9.839 -22.837 1.00 0.00 H new ATOM 0 HH TYR A 31 2.621 -9.799 -23.448 1.00 0.00 H new ATOM 520 N LYS A 32 1.034 -6.654 -19.029 1.00 0.00 N ATOM 521 CA LYS A 32 2.162 -6.013 -19.684 1.00 0.00 C ATOM 522 C LYS A 32 2.409 -4.647 -19.041 1.00 0.00 C ATOM 523 O LYS A 32 1.609 -4.186 -18.228 1.00 0.00 O ATOM 524 CB LYS A 32 1.939 -5.951 -21.196 1.00 0.00 C ATOM 525 CG LYS A 32 0.528 -5.458 -21.523 1.00 0.00 C ATOM 526 CD LYS A 32 -0.215 -6.465 -22.404 1.00 0.00 C ATOM 527 CE LYS A 32 -1.679 -6.588 -21.982 1.00 0.00 C ATOM 528 NZ LYS A 32 -2.565 -6.557 -23.166 1.00 0.00 N ATOM 0 H LYS A 32 0.120 -6.301 -19.312 1.00 0.00 H new ATOM 0 HA LYS A 32 3.069 -6.601 -19.544 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.674 -5.286 -21.649 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.093 -6.939 -21.631 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.028 -5.298 -20.599 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.584 -4.496 -22.032 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.159 -6.152 -23.447 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.269 -7.439 -22.337 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.828 -7.518 -21.433 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.938 -5.774 -21.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.556 -6.642 -22.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.435 -5.659 -23.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.329 -7.349 -23.797 1.00 0.00 H new ATOM 542 N VAL A 33 3.519 -4.037 -19.432 1.00 0.00 N ATOM 543 CA VAL A 33 3.881 -2.733 -18.905 1.00 0.00 C ATOM 544 C VAL A 33 3.762 -1.687 -20.015 1.00 0.00 C ATOM 545 O VAL A 33 4.166 -1.934 -21.151 1.00 0.00 O ATOM 546 CB VAL A 33 5.278 -2.788 -18.284 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.575 -1.516 -17.487 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.440 -4.033 -17.409 1.00 0.00 C ATOM 0 H VAL A 33 4.179 -4.422 -20.108 1.00 0.00 H new ATOM 0 HA VAL A 33 3.197 -2.441 -18.108 1.00 0.00 H new ATOM 0 HB VAL A 33 6.003 -2.851 -19.096 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.574 -1.581 -17.056 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.521 -0.651 -18.148 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.842 -1.408 -16.688 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.442 -4.048 -16.980 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.702 -4.013 -16.607 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.292 -4.926 -18.016 1.00 0.00 H new ATOM 558 N TYR A 34 3.204 -0.542 -19.650 1.00 0.00 N ATOM 559 CA TYR A 34 3.027 0.542 -20.601 1.00 0.00 C ATOM 560 C TYR A 34 3.730 1.813 -20.121 1.00 0.00 C ATOM 561 O TYR A 34 3.895 2.020 -18.921 1.00 0.00 O ATOM 562 CB TYR A 34 1.521 0.801 -20.670 1.00 0.00 C ATOM 563 CG TYR A 34 0.693 -0.437 -21.024 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.619 -1.494 -20.141 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.019 -0.495 -22.227 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.160 -2.659 -20.473 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.761 -1.659 -22.560 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.811 -2.683 -21.667 1.00 0.00 C ATOM 569 OH TYR A 34 -1.548 -3.783 -21.981 1.00 0.00 O ATOM 0 H TYR A 34 2.868 -0.341 -18.708 1.00 0.00 H new ATOM 0 HA TYR A 34 3.450 0.275 -21.570 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.185 1.188 -19.708 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.330 1.578 -21.410 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.146 -1.448 -19.199 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.077 0.332 -22.919 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.226 -3.493 -19.790 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.294 -1.717 -23.498 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.958 -3.661 -22.863 1.00 0.00 H new ATOM 579 N ASP A 35 4.122 2.634 -21.085 1.00 0.00 N ATOM 580 CA ASP A 35 4.803 3.880 -20.775 1.00 0.00 C ATOM 581 C ASP A 35 3.773 5.005 -20.665 1.00 0.00 C ATOM 582 O ASP A 35 3.522 5.720 -21.634 1.00 0.00 O ATOM 583 CB ASP A 35 5.796 4.254 -21.878 1.00 0.00 C ATOM 584 CG ASP A 35 7.089 4.910 -21.389 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.079 5.390 -20.235 1.00 0.00 O ATOM 586 OD2 ASP A 35 8.056 4.916 -22.181 1.00 0.00 O ATOM 0 H ASP A 35 3.981 2.461 -22.080 1.00 0.00 H new ATOM 0 HA ASP A 35 5.340 3.746 -19.836 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.052 3.353 -22.436 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.303 4.932 -22.575 1.00 0.00 H new ATOM 591 N LEU A 36 3.201 5.127 -19.475 1.00 0.00 N ATOM 592 CA LEU A 36 2.203 6.153 -19.226 1.00 0.00 C ATOM 593 C LEU A 36 2.765 7.515 -19.636 1.00 0.00 C ATOM 594 O LEU A 36 2.015 8.405 -20.035 1.00 0.00 O ATOM 595 CB LEU A 36 1.727 6.095 -17.774 1.00 0.00 C ATOM 596 CG LEU A 36 0.781 4.945 -17.422 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.111 5.180 -16.067 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.242 4.716 -18.536 1.00 0.00 C ATOM 0 H LEU A 36 3.410 4.532 -18.673 1.00 0.00 H new ATOM 0 HA LEU A 36 1.316 5.978 -19.835 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.603 6.029 -17.128 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.227 7.035 -17.539 1.00 0.00 H new ATOM 0 HG LEU A 36 1.371 4.033 -17.334 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.556 4.348 -15.842 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.874 5.254 -15.292 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.463 6.106 -16.101 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.902 3.893 -18.260 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.832 5.621 -18.680 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.278 4.470 -19.462 1.00 0.00 H new ATOM 610 N THR A 37 4.079 7.634 -19.524 1.00 0.00 N ATOM 611 CA THR A 37 4.751 8.874 -19.879 1.00 0.00 C ATOM 612 C THR A 37 4.328 9.329 -21.276 1.00 0.00 C ATOM 613 O THR A 37 4.276 10.527 -21.554 1.00 0.00 O ATOM 614 CB THR A 37 6.258 8.651 -19.743 1.00 0.00 C ATOM 615 OG1 THR A 37 6.583 9.233 -18.483 1.00 0.00 O ATOM 616 CG2 THR A 37 7.065 9.471 -20.751 1.00 0.00 C ATOM 0 H THR A 37 4.697 6.893 -19.193 1.00 0.00 H new ATOM 0 HA THR A 37 4.466 9.684 -19.208 1.00 0.00 H new ATOM 0 HB THR A 37 6.481 7.592 -19.875 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.784 9.253 -17.916 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.128 9.275 -20.611 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.775 9.191 -21.764 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.868 10.532 -20.598 1.00 0.00 H new ATOM 624 N LYS A 38 4.037 8.350 -22.120 1.00 0.00 N ATOM 625 CA LYS A 38 3.620 8.635 -23.483 1.00 0.00 C ATOM 626 C LYS A 38 2.125 8.958 -23.497 1.00 0.00 C ATOM 627 O LYS A 38 1.667 9.755 -24.313 1.00 0.00 O ATOM 628 CB LYS A 38 4.011 7.485 -24.413 1.00 0.00 C ATOM 629 CG LYS A 38 4.544 8.015 -25.746 1.00 0.00 C ATOM 630 CD LYS A 38 5.003 6.867 -26.648 1.00 0.00 C ATOM 631 CE LYS A 38 5.624 7.401 -27.940 1.00 0.00 C ATOM 632 NZ LYS A 38 6.079 6.282 -28.797 1.00 0.00 N ATOM 0 H LYS A 38 4.082 7.358 -21.886 1.00 0.00 H new ATOM 0 HA LYS A 38 4.139 9.514 -23.866 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.770 6.867 -23.934 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.146 6.846 -24.591 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.767 8.590 -26.250 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.376 8.695 -25.565 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.730 6.251 -26.118 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.155 6.225 -26.886 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.894 8.006 -28.478 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.466 8.052 -27.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.498 6.661 -29.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.791 5.721 -28.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.268 5.677 -29.037 1.00 0.00 H new ATOM 646 N PHE A 39 1.406 8.322 -22.584 1.00 0.00 N ATOM 647 CA PHE A 39 -0.028 8.533 -22.481 1.00 0.00 C ATOM 648 C PHE A 39 -0.349 9.642 -21.479 1.00 0.00 C ATOM 649 O PHE A 39 -1.465 9.717 -20.965 1.00 0.00 O ATOM 650 CB PHE A 39 -0.637 7.220 -21.983 1.00 0.00 C ATOM 651 CG PHE A 39 -2.165 7.175 -22.060 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.827 8.001 -22.915 1.00 0.00 C ATOM 653 CD2 PHE A 39 -2.861 6.310 -21.275 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.245 7.959 -22.986 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.279 6.269 -21.347 1.00 0.00 C ATOM 656 CZ PHE A 39 -4.940 7.093 -22.201 1.00 0.00 C ATOM 0 H PHE A 39 1.790 7.660 -21.909 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.431 8.828 -23.450 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.229 6.397 -22.569 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.330 7.058 -20.950 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.275 8.688 -23.539 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.336 5.654 -20.597 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.771 8.615 -23.664 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.832 5.583 -20.723 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.018 7.060 -22.257 1.00 0.00 H new ATOM 666 N LEU A 40 0.649 10.477 -21.229 1.00 0.00 N ATOM 667 CA LEU A 40 0.486 11.580 -20.296 1.00 0.00 C ATOM 668 C LEU A 40 -0.219 12.740 -21.003 1.00 0.00 C ATOM 669 O LEU A 40 -0.365 13.820 -20.435 1.00 0.00 O ATOM 670 CB LEU A 40 1.833 11.963 -19.680 1.00 0.00 C ATOM 671 CG LEU A 40 1.805 12.364 -18.204 1.00 0.00 C ATOM 672 CD1 LEU A 40 1.065 11.320 -17.366 1.00 0.00 C ATOM 673 CD2 LEU A 40 3.219 12.621 -17.679 1.00 0.00 C ATOM 0 H LEU A 40 1.573 10.412 -21.656 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.148 11.283 -19.461 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.515 11.121 -19.794 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.250 12.791 -20.253 1.00 0.00 H new ATOM 0 HG LEU A 40 1.253 13.299 -18.115 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.060 11.630 -16.321 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.039 11.228 -17.722 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.568 10.357 -17.457 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.171 12.904 -16.628 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.816 11.715 -17.784 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.679 13.427 -18.251 1.00 0.00 H new ATOM 685 N GLU A 41 -0.638 12.475 -22.232 1.00 0.00 N ATOM 686 CA GLU A 41 -1.324 13.483 -23.020 1.00 0.00 C ATOM 687 C GLU A 41 -2.834 13.239 -22.997 1.00 0.00 C ATOM 688 O GLU A 41 -3.577 13.980 -22.353 1.00 0.00 O ATOM 689 CB GLU A 41 -0.796 13.509 -24.457 1.00 0.00 C ATOM 690 CG GLU A 41 -0.088 14.831 -24.756 1.00 0.00 C ATOM 691 CD GLU A 41 -0.074 15.116 -26.260 1.00 0.00 C ATOM 692 OE1 GLU A 41 0.774 14.505 -26.945 1.00 0.00 O ATOM 693 OE2 GLU A 41 -0.911 15.938 -26.690 1.00 0.00 O ATOM 0 H GLU A 41 -0.515 11.577 -22.700 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.126 14.459 -22.576 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.105 12.680 -24.610 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.622 13.369 -25.154 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.591 15.644 -24.233 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.934 14.794 -24.379 1.00 0.00 H new ATOM 700 N GLU A 42 -3.245 12.198 -23.706 1.00 0.00 N ATOM 701 CA GLU A 42 -4.654 11.847 -23.773 1.00 0.00 C ATOM 702 C GLU A 42 -5.166 11.440 -22.391 1.00 0.00 C ATOM 703 O GLU A 42 -4.455 11.578 -21.395 1.00 0.00 O ATOM 704 CB GLU A 42 -4.892 10.734 -24.796 1.00 0.00 C ATOM 705 CG GLU A 42 -5.146 11.315 -26.188 1.00 0.00 C ATOM 706 CD GLU A 42 -5.643 10.235 -27.151 1.00 0.00 C ATOM 707 OE1 GLU A 42 -6.858 9.948 -27.105 1.00 0.00 O ATOM 708 OE2 GLU A 42 -4.795 9.720 -27.911 1.00 0.00 O ATOM 0 H GLU A 42 -2.627 11.586 -24.239 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.212 12.724 -24.101 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.027 10.072 -24.827 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.745 10.129 -24.489 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.883 12.116 -26.123 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.228 11.757 -26.574 1.00 0.00 H new ATOM 715 N HIS A 43 -6.396 10.946 -22.372 1.00 0.00 N ATOM 716 CA HIS A 43 -7.011 10.518 -21.128 1.00 0.00 C ATOM 717 C HIS A 43 -7.742 11.698 -20.483 1.00 0.00 C ATOM 718 O HIS A 43 -7.168 12.773 -20.319 1.00 0.00 O ATOM 719 CB HIS A 43 -5.975 9.883 -20.197 1.00 0.00 C ATOM 720 CG HIS A 43 -6.570 9.019 -19.112 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.457 9.505 -18.168 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.399 7.695 -18.833 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.795 8.511 -17.361 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.138 7.390 -17.775 1.00 0.00 N ATOM 0 H HIS A 43 -6.983 10.833 -23.199 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.751 9.745 -21.334 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.289 9.280 -20.792 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.385 10.674 -19.734 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.793 10.466 -18.104 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.768 7.011 -19.381 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.472 8.577 -16.522 1.00 0.00 H new ATOM 733 N PRO A 44 -9.031 11.451 -20.127 1.00 0.00 N ATOM 734 CA PRO A 44 -9.846 12.481 -19.506 1.00 0.00 C ATOM 735 C PRO A 44 -9.445 12.688 -18.043 1.00 0.00 C ATOM 736 O PRO A 44 -9.201 13.816 -17.616 1.00 0.00 O ATOM 737 CB PRO A 44 -11.278 12.000 -19.666 1.00 0.00 C ATOM 738 CG PRO A 44 -11.188 10.509 -19.953 1.00 0.00 C ATOM 739 CD PRO A 44 -9.745 10.190 -20.307 1.00 0.00 C ATOM 0 HA PRO A 44 -9.714 13.458 -19.970 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.857 12.189 -18.762 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.778 12.525 -20.480 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.504 9.933 -19.083 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.852 10.237 -20.774 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.342 9.411 -19.660 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.659 9.829 -21.332 1.00 0.00 H new ATOM 747 N GLY A 45 -9.389 11.582 -17.315 1.00 0.00 N ATOM 748 CA GLY A 45 -9.022 11.628 -15.911 1.00 0.00 C ATOM 749 C GLY A 45 -7.918 12.658 -15.666 1.00 0.00 C ATOM 750 O GLY A 45 -8.047 13.517 -14.794 1.00 0.00 O ATOM 0 H GLY A 45 -9.592 10.648 -17.672 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.897 11.878 -15.311 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.684 10.644 -15.587 1.00 0.00 H new ATOM 754 N GLY A 46 -6.857 12.537 -16.449 1.00 0.00 N ATOM 755 CA GLY A 46 -5.730 13.447 -16.329 1.00 0.00 C ATOM 756 C GLY A 46 -4.416 12.676 -16.185 1.00 0.00 C ATOM 757 O GLY A 46 -4.409 11.534 -15.728 1.00 0.00 O ATOM 0 H GLY A 46 -6.753 11.822 -17.169 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.683 14.092 -17.207 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.872 14.096 -15.464 1.00 0.00 H new ATOM 761 N GLU A 47 -3.335 13.332 -16.582 1.00 0.00 N ATOM 762 CA GLU A 47 -2.020 12.724 -16.502 1.00 0.00 C ATOM 763 C GLU A 47 -1.881 11.923 -15.206 1.00 0.00 C ATOM 764 O GLU A 47 -1.441 10.774 -15.223 1.00 0.00 O ATOM 765 CB GLU A 47 -0.918 13.779 -16.614 1.00 0.00 C ATOM 766 CG GLU A 47 -1.053 14.575 -17.913 1.00 0.00 C ATOM 767 CD GLU A 47 -1.748 15.916 -17.666 1.00 0.00 C ATOM 768 OE1 GLU A 47 -1.027 16.874 -17.314 1.00 0.00 O ATOM 769 OE2 GLU A 47 -2.987 15.952 -17.833 1.00 0.00 O ATOM 0 H GLU A 47 -3.344 14.279 -16.960 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.909 12.039 -17.343 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.969 14.456 -15.761 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.058 13.296 -16.579 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.066 14.747 -18.342 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.621 13.996 -18.641 1.00 0.00 H new ATOM 776 N GLU A 48 -2.267 12.562 -14.110 1.00 0.00 N ATOM 777 CA GLU A 48 -2.192 11.924 -12.807 1.00 0.00 C ATOM 778 C GLU A 48 -2.818 10.528 -12.861 1.00 0.00 C ATOM 779 O GLU A 48 -2.195 9.550 -12.455 1.00 0.00 O ATOM 780 CB GLU A 48 -2.867 12.785 -11.736 1.00 0.00 C ATOM 781 CG GLU A 48 -2.016 12.848 -10.466 1.00 0.00 C ATOM 782 CD GLU A 48 -2.749 13.593 -9.351 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.944 13.288 -9.153 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.097 14.455 -8.721 1.00 0.00 O ATOM 0 H GLU A 48 -2.632 13.514 -14.098 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.141 11.820 -12.536 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.027 13.792 -12.121 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.849 12.375 -11.500 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.775 11.838 -10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.071 13.347 -10.682 1.00 0.00 H new ATOM 791 N VAL A 49 -4.041 10.483 -13.369 1.00 0.00 N ATOM 792 CA VAL A 49 -4.757 9.224 -13.481 1.00 0.00 C ATOM 793 C VAL A 49 -3.777 8.120 -13.891 1.00 0.00 C ATOM 794 O VAL A 49 -3.969 6.955 -13.543 1.00 0.00 O ATOM 795 CB VAL A 49 -5.928 9.373 -14.455 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.456 9.241 -15.905 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.032 8.360 -14.144 1.00 0.00 C ATOM 0 H VAL A 49 -4.554 11.297 -13.707 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.184 8.941 -12.519 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.344 10.372 -14.328 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.308 9.351 -16.576 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.722 10.017 -16.121 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.002 8.261 -16.052 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.852 8.487 -14.851 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.633 7.349 -14.229 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.398 8.521 -13.130 1.00 0.00 H new ATOM 807 N LEU A 50 -2.750 8.526 -14.621 1.00 0.00 N ATOM 808 CA LEU A 50 -1.741 7.587 -15.079 1.00 0.00 C ATOM 809 C LEU A 50 -0.543 7.627 -14.129 1.00 0.00 C ATOM 810 O LEU A 50 0.012 6.587 -13.777 1.00 0.00 O ATOM 811 CB LEU A 50 -1.377 7.862 -16.540 1.00 0.00 C ATOM 812 CG LEU A 50 -2.553 8.032 -17.503 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.605 9.456 -18.060 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.506 6.984 -18.617 1.00 0.00 C ATOM 0 H LEU A 50 -2.594 9.493 -14.907 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.131 6.569 -15.057 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.768 8.765 -16.578 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.754 7.043 -16.899 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.476 7.870 -16.946 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.450 9.549 -18.742 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.721 10.164 -17.239 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.681 9.671 -18.596 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.353 7.127 -19.288 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.577 7.090 -19.178 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.554 5.986 -18.180 1.00 0.00 H new ATOM 826 N ARG A 51 -0.178 8.840 -13.740 1.00 0.00 N ATOM 827 CA ARG A 51 0.945 9.031 -12.837 1.00 0.00 C ATOM 828 C ARG A 51 0.646 8.397 -11.478 1.00 0.00 C ATOM 829 O ARG A 51 1.473 7.663 -10.936 1.00 0.00 O ATOM 830 CB ARG A 51 1.250 10.518 -12.642 1.00 0.00 C ATOM 831 CG ARG A 51 2.750 10.750 -12.454 1.00 0.00 C ATOM 832 CD ARG A 51 3.060 11.190 -11.022 1.00 0.00 C ATOM 833 NE ARG A 51 4.004 12.329 -11.036 1.00 0.00 N ATOM 834 CZ ARG A 51 4.252 13.112 -9.977 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.629 12.883 -8.813 1.00 0.00 N ATOM 836 NH2 ARG A 51 5.124 14.125 -10.081 1.00 0.00 N ATOM 0 H ARG A 51 -0.640 9.701 -14.034 1.00 0.00 H new ATOM 0 HA ARG A 51 1.815 8.549 -13.284 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.897 11.082 -13.506 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.709 10.893 -11.773 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.295 9.834 -12.683 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.095 11.510 -13.155 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.139 11.476 -10.513 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.488 10.359 -10.462 1.00 0.00 H new ATOM 0 HE ARG A 51 4.497 12.531 -11.906 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.966 12.112 -8.733 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.818 13.479 -8.007 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.599 14.300 -10.966 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.312 14.721 -9.275 1.00 0.00 H new ATOM 850 N GLU A 52 -0.537 8.700 -10.966 1.00 0.00 N ATOM 851 CA GLU A 52 -0.955 8.168 -9.679 1.00 0.00 C ATOM 852 C GLU A 52 -0.950 6.638 -9.712 1.00 0.00 C ATOM 853 O GLU A 52 -0.887 5.993 -8.667 1.00 0.00 O ATOM 854 CB GLU A 52 -2.332 8.704 -9.285 1.00 0.00 C ATOM 855 CG GLU A 52 -2.226 9.682 -8.116 1.00 0.00 C ATOM 856 CD GLU A 52 -2.101 8.936 -6.786 1.00 0.00 C ATOM 857 OE1 GLU A 52 -3.156 8.492 -6.282 1.00 0.00 O ATOM 858 OE2 GLU A 52 -0.953 8.824 -6.303 1.00 0.00 O ATOM 0 H GLU A 52 -1.220 9.307 -11.419 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.244 8.499 -8.922 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.790 9.202 -10.140 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.984 7.875 -9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.361 10.330 -8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.106 10.325 -8.095 1.00 0.00 H new ATOM 865 N GLN A 53 -1.019 6.103 -10.921 1.00 0.00 N ATOM 866 CA GLN A 53 -1.023 4.661 -11.103 1.00 0.00 C ATOM 867 C GLN A 53 0.367 4.173 -11.513 1.00 0.00 C ATOM 868 O GLN A 53 0.730 3.027 -11.252 1.00 0.00 O ATOM 869 CB GLN A 53 -2.078 4.242 -12.130 1.00 0.00 C ATOM 870 CG GLN A 53 -1.755 4.814 -13.511 1.00 0.00 C ATOM 871 CD GLN A 53 -2.669 4.214 -14.580 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.464 3.112 -15.063 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.689 4.996 -14.924 1.00 0.00 N ATOM 0 H GLN A 53 -1.073 6.642 -11.785 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.283 4.195 -10.153 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.126 3.154 -12.185 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.061 4.588 -11.810 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.870 5.898 -13.496 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.714 4.607 -13.760 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.804 5.908 -14.482 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.356 4.684 -15.630 1.00 0.00 H new ATOM 882 N ALA A 54 1.109 5.068 -12.150 1.00 0.00 N ATOM 883 CA ALA A 54 2.452 4.743 -12.600 1.00 0.00 C ATOM 884 C ALA A 54 3.307 4.348 -11.395 1.00 0.00 C ATOM 885 O ALA A 54 3.362 5.074 -10.403 1.00 0.00 O ATOM 886 CB ALA A 54 3.037 5.932 -13.365 1.00 0.00 C ATOM 0 H ALA A 54 0.805 6.018 -12.365 1.00 0.00 H new ATOM 0 HA ALA A 54 2.432 3.894 -13.283 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.044 5.688 -13.702 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.409 6.154 -14.228 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.075 6.803 -12.710 1.00 0.00 H new ATOM 892 N GLY A 55 3.953 3.197 -11.519 1.00 0.00 N ATOM 893 CA GLY A 55 4.803 2.697 -10.451 1.00 0.00 C ATOM 894 C GLY A 55 4.385 1.286 -10.034 1.00 0.00 C ATOM 895 O GLY A 55 4.891 0.749 -9.049 1.00 0.00 O ATOM 0 H GLY A 55 3.905 2.597 -12.342 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.842 2.690 -10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.746 3.366 -9.592 1.00 0.00 H new ATOM 899 N GLY A 56 3.467 0.723 -10.806 1.00 0.00 N ATOM 900 CA GLY A 56 2.976 -0.617 -10.529 1.00 0.00 C ATOM 901 C GLY A 56 1.801 -0.970 -11.442 1.00 0.00 C ATOM 902 O GLY A 56 1.446 -0.196 -12.331 1.00 0.00 O ATOM 0 H GLY A 56 3.050 1.170 -11.623 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.780 -1.339 -10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.665 -0.686 -9.487 1.00 0.00 H new ATOM 906 N ASP A 57 1.228 -2.138 -11.191 1.00 0.00 N ATOM 907 CA ASP A 57 0.099 -2.603 -11.982 1.00 0.00 C ATOM 908 C ASP A 57 -1.094 -1.673 -11.754 1.00 0.00 C ATOM 909 O ASP A 57 -1.406 -1.326 -10.617 1.00 0.00 O ATOM 910 CB ASP A 57 -0.316 -4.015 -11.568 1.00 0.00 C ATOM 911 CG ASP A 57 -1.824 -4.280 -11.592 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.440 -3.957 -12.632 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.326 -4.797 -10.572 1.00 0.00 O ATOM 0 H ASP A 57 1.523 -2.776 -10.452 1.00 0.00 H new ATOM 0 HA ASP A 57 0.398 -2.607 -13.030 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.174 -4.730 -12.229 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.055 -4.206 -10.561 1.00 0.00 H new ATOM 918 N ALA A 58 -1.728 -1.297 -12.855 1.00 0.00 N ATOM 919 CA ALA A 58 -2.881 -0.414 -12.790 1.00 0.00 C ATOM 920 C ALA A 58 -4.133 -1.183 -13.218 1.00 0.00 C ATOM 921 O ALA A 58 -5.252 -0.721 -13.009 1.00 0.00 O ATOM 922 CB ALA A 58 -2.629 0.819 -13.658 1.00 0.00 C ATOM 0 H ALA A 58 -1.466 -1.587 -13.797 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.041 -0.067 -11.769 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.494 1.481 -13.609 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.747 1.346 -13.294 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.466 0.510 -14.691 1.00 0.00 H new ATOM 928 N THR A 59 -3.900 -2.345 -13.812 1.00 0.00 N ATOM 929 CA THR A 59 -4.994 -3.183 -14.273 1.00 0.00 C ATOM 930 C THR A 59 -6.057 -3.318 -13.181 1.00 0.00 C ATOM 931 O THR A 59 -7.233 -3.046 -13.418 1.00 0.00 O ATOM 932 CB THR A 59 -4.408 -4.524 -14.719 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.225 -4.911 -15.819 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.624 -5.630 -13.685 1.00 0.00 C ATOM 0 H THR A 59 -2.969 -2.726 -13.984 1.00 0.00 H new ATOM 0 HA THR A 59 -5.503 -2.735 -15.126 1.00 0.00 H new ATOM 0 HB THR A 59 -3.341 -4.409 -14.909 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.945 -4.257 -15.937 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.189 -6.560 -14.051 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.145 -5.350 -12.747 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.692 -5.769 -13.519 1.00 0.00 H new ATOM 942 N GLU A 60 -5.606 -3.738 -12.009 1.00 0.00 N ATOM 943 CA GLU A 60 -6.504 -3.912 -10.880 1.00 0.00 C ATOM 944 C GLU A 60 -7.511 -2.762 -10.819 1.00 0.00 C ATOM 945 O GLU A 60 -8.643 -2.945 -10.377 1.00 0.00 O ATOM 946 CB GLU A 60 -5.722 -4.026 -9.569 1.00 0.00 C ATOM 947 CG GLU A 60 -4.727 -2.874 -9.422 1.00 0.00 C ATOM 948 CD GLU A 60 -5.023 -2.049 -8.168 1.00 0.00 C ATOM 949 OE1 GLU A 60 -5.354 -2.680 -7.140 1.00 0.00 O ATOM 950 OE2 GLU A 60 -4.911 -0.809 -8.265 1.00 0.00 O ATOM 0 H GLU A 60 -4.630 -3.963 -11.816 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.054 -4.843 -11.019 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.414 -4.023 -8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.190 -4.977 -9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.713 -3.270 -9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.775 -2.233 -10.303 1.00 0.00 H new ATOM 957 N ASN A 61 -7.060 -1.600 -11.270 1.00 0.00 N ATOM 958 CA ASN A 61 -7.907 -0.420 -11.272 1.00 0.00 C ATOM 959 C ASN A 61 -8.651 -0.334 -12.606 1.00 0.00 C ATOM 960 O ASN A 61 -9.880 -0.277 -12.634 1.00 0.00 O ATOM 961 CB ASN A 61 -7.077 0.855 -11.112 1.00 0.00 C ATOM 962 CG ASN A 61 -7.618 1.723 -9.974 1.00 0.00 C ATOM 963 OD1 ASN A 61 -7.006 1.875 -8.930 1.00 0.00 O ATOM 964 ND2 ASN A 61 -8.797 2.281 -10.234 1.00 0.00 N ATOM 0 H ASN A 61 -6.120 -1.451 -11.636 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.603 -0.504 -10.438 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.038 0.594 -10.912 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.090 1.421 -12.043 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.243 2.878 -9.538 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.255 2.112 -11.130 1.00 0.00 H new ATOM 971 N PHE A 62 -7.875 -0.327 -13.681 1.00 0.00 N ATOM 972 CA PHE A 62 -8.446 -0.249 -15.015 1.00 0.00 C ATOM 973 C PHE A 62 -9.608 -1.233 -15.174 1.00 0.00 C ATOM 974 O PHE A 62 -10.476 -1.042 -16.023 1.00 0.00 O ATOM 975 CB PHE A 62 -7.336 -0.627 -15.999 1.00 0.00 C ATOM 976 CG PHE A 62 -7.718 -1.748 -16.968 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.630 -3.047 -16.573 1.00 0.00 C ATOM 978 CD2 PHE A 62 -8.146 -1.446 -18.222 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.985 -4.087 -17.474 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.500 -2.486 -19.121 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.412 -3.785 -18.728 1.00 0.00 C ATOM 0 H PHE A 62 -6.856 -0.374 -13.655 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.828 0.755 -15.197 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.057 0.257 -16.573 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.454 -0.932 -15.436 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.291 -3.287 -15.576 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.217 -0.415 -18.535 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.915 -5.118 -17.162 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.839 -2.246 -20.118 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.681 -4.576 -19.412 1.00 0.00 H new ATOM 991 N GLU A 63 -9.585 -2.264 -14.342 1.00 0.00 N ATOM 992 CA GLU A 63 -10.626 -3.277 -14.378 1.00 0.00 C ATOM 993 C GLU A 63 -11.862 -2.797 -13.615 1.00 0.00 C ATOM 994 O GLU A 63 -12.989 -2.979 -14.072 1.00 0.00 O ATOM 995 CB GLU A 63 -10.116 -4.606 -13.817 1.00 0.00 C ATOM 996 CG GLU A 63 -9.677 -5.543 -14.943 1.00 0.00 C ATOM 997 CD GLU A 63 -10.545 -6.803 -14.979 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.968 -7.233 -13.884 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.767 -7.307 -16.101 1.00 0.00 O ATOM 0 H GLU A 63 -8.862 -2.420 -13.639 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.908 -3.443 -15.418 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.279 -4.423 -13.144 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.901 -5.081 -13.228 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.743 -5.024 -15.899 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.632 -5.821 -14.803 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.608 -2.191 -12.462 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.686 -1.685 -11.631 1.00 0.00 C ATOM 1008 C ASP A 64 -13.422 -0.571 -12.380 1.00 0.00 C ATOM 1009 O ASP A 64 -14.585 -0.288 -12.095 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.146 -1.098 -10.326 1.00 0.00 C ATOM 1011 CG ASP A 64 -12.949 -1.458 -9.074 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -12.706 -2.565 -8.543 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -13.785 -0.620 -8.675 1.00 0.00 O ATOM 0 H ASP A 64 -10.672 -2.040 -12.086 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.355 -2.515 -11.404 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.119 -1.437 -10.190 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.114 -0.012 -10.419 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.713 0.031 -13.325 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.285 1.107 -14.116 1.00 0.00 C ATOM 1020 C VAL A 65 -13.752 0.551 -15.463 1.00 0.00 C ATOM 1021 O VAL A 65 -14.194 1.303 -16.330 1.00 0.00 O ATOM 1022 CB VAL A 65 -12.272 2.245 -14.260 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.974 1.921 -13.517 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.997 2.552 -15.734 1.00 0.00 C ATOM 0 H VAL A 65 -11.749 -0.206 -13.560 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.158 1.526 -13.616 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.704 3.137 -13.807 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.271 2.746 -13.635 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.188 1.775 -12.458 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.537 1.011 -13.928 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.274 3.364 -15.808 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.596 1.664 -16.222 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.925 2.847 -16.224 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.642 -0.764 -15.594 1.00 0.00 N ATOM 1035 CA GLY A 66 -14.048 -1.429 -16.821 1.00 0.00 C ATOM 1036 C GLY A 66 -13.811 -0.532 -18.036 1.00 0.00 C ATOM 1037 O GLY A 66 -14.757 -0.141 -18.718 1.00 0.00 O ATOM 0 H GLY A 66 -13.278 -1.385 -14.872 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.490 -2.358 -16.937 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.103 -1.696 -16.762 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.542 -0.232 -18.273 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.169 0.611 -19.395 1.00 0.00 C ATOM 1043 C HIS A 67 -12.788 0.060 -20.681 1.00 0.00 C ATOM 1044 O HIS A 67 -13.486 -0.953 -20.652 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.648 0.755 -19.484 1.00 0.00 C ATOM 1046 CG HIS A 67 -10.105 1.991 -18.805 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -10.822 3.172 -18.716 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -8.914 2.215 -18.183 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -10.083 4.061 -18.069 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.901 3.467 -17.739 1.00 0.00 N ATOM 0 H HIS A 67 -11.759 -0.558 -17.706 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.564 1.616 -19.245 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.184 -0.125 -19.039 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.356 0.772 -20.534 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -11.759 3.331 -19.086 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.116 1.497 -18.070 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.367 5.078 -17.843 1.00 0.00 H new ATOM 1059 N SER A 68 -12.510 0.750 -21.777 1.00 0.00 N ATOM 1060 CA SER A 68 -13.032 0.343 -23.069 1.00 0.00 C ATOM 1061 C SER A 68 -11.928 -0.325 -23.893 1.00 0.00 C ATOM 1062 O SER A 68 -10.745 -0.108 -23.641 1.00 0.00 O ATOM 1063 CB SER A 68 -13.614 1.536 -23.831 1.00 0.00 C ATOM 1064 OG SER A 68 -12.610 2.262 -24.532 1.00 0.00 O ATOM 0 H SER A 68 -11.930 1.589 -21.796 1.00 0.00 H new ATOM 0 HA SER A 68 -13.836 -0.373 -22.901 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.366 1.183 -24.537 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.120 2.201 -23.131 1.00 0.00 H new ATOM 0 HG SER A 68 -12.259 2.973 -23.957 1.00 0.00 H new ATOM 1070 N THR A 69 -12.355 -1.123 -24.860 1.00 0.00 N ATOM 1071 CA THR A 69 -11.417 -1.822 -25.722 1.00 0.00 C ATOM 1072 C THR A 69 -10.512 -0.824 -26.446 1.00 0.00 C ATOM 1073 O THR A 69 -9.408 -1.172 -26.865 1.00 0.00 O ATOM 1074 CB THR A 69 -12.222 -2.713 -26.671 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.523 -3.868 -25.892 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.376 -3.251 -27.826 1.00 0.00 C ATOM 0 H THR A 69 -13.338 -1.301 -25.066 1.00 0.00 H new ATOM 0 HA THR A 69 -10.747 -2.459 -25.144 1.00 0.00 H new ATOM 0 HB THR A 69 -13.065 -2.150 -27.071 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.046 -4.499 -26.430 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.995 -3.877 -28.469 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.978 -2.417 -28.405 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.552 -3.843 -27.428 1.00 0.00 H new ATOM 1084 N ASP A 70 -11.012 0.397 -26.571 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.260 1.447 -27.239 1.00 0.00 C ATOM 1086 C ASP A 70 -9.107 1.892 -26.338 1.00 0.00 C ATOM 1087 O ASP A 70 -7.964 1.980 -26.785 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.144 2.667 -27.512 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.475 3.783 -28.314 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.398 4.237 -27.867 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -11.053 4.159 -29.357 1.00 0.00 O ATOM 0 H ASP A 70 -11.927 0.683 -26.222 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.890 1.050 -28.184 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.035 2.339 -28.048 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.478 3.076 -26.558 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.446 2.164 -25.085 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.451 2.599 -24.120 1.00 0.00 C ATOM 1098 C ALA A 71 -7.304 1.586 -24.084 1.00 0.00 C ATOM 1099 O ALA A 71 -6.135 1.967 -24.118 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.113 2.777 -22.751 1.00 0.00 C ATOM 0 H ALA A 71 -10.395 2.091 -24.717 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.031 3.563 -24.409 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.367 3.103 -22.026 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.902 3.526 -22.823 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.542 1.828 -22.428 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.679 0.318 -24.017 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.695 -0.752 -23.977 1.00 0.00 C ATOM 1108 C ARG A 72 -5.870 -0.761 -25.264 1.00 0.00 C ATOM 1109 O ARG A 72 -4.645 -0.884 -25.221 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.369 -2.113 -23.801 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.338 -2.097 -22.617 1.00 0.00 C ATOM 1112 CD ARG A 72 -8.886 -3.498 -22.338 1.00 0.00 C ATOM 1113 NE ARG A 72 -7.774 -4.426 -22.034 1.00 0.00 N ATOM 1114 CZ ARG A 72 -7.937 -5.726 -21.751 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -9.165 -6.260 -21.733 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -6.870 -6.493 -21.487 1.00 0.00 N ATOM 0 H ARG A 72 -8.650 0.006 -23.989 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.041 -0.571 -23.124 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.907 -2.377 -24.712 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.611 -2.881 -23.645 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.829 -1.719 -21.731 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.162 -1.415 -22.826 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.582 -3.465 -21.500 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.445 -3.858 -23.202 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.825 -4.053 -22.040 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.978 -5.677 -21.935 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.288 -7.249 -21.518 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.934 -6.087 -21.501 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.994 -7.482 -21.272 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.572 -0.631 -26.382 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.916 -0.623 -27.679 1.00 0.00 C ATOM 1132 C GLU A 73 -4.878 0.497 -27.743 1.00 0.00 C ATOM 1133 O GLU A 73 -3.743 0.272 -28.164 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.941 -0.486 -28.807 1.00 0.00 C ATOM 1135 CG GLU A 73 -7.388 -1.860 -29.314 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.516 -1.727 -30.338 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.412 -0.808 -31.179 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -9.455 -2.547 -30.258 1.00 0.00 O ATOM 0 H GLU A 73 -7.586 -0.531 -26.416 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.401 -1.575 -27.811 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.806 0.073 -28.451 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.509 0.085 -29.628 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.542 -2.378 -29.765 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.724 -2.469 -28.475 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.301 1.679 -27.319 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.420 2.834 -27.324 1.00 0.00 C ATOM 1147 C LEU A 74 -3.174 2.523 -26.492 1.00 0.00 C ATOM 1148 O LEU A 74 -2.072 2.944 -26.837 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.174 4.083 -26.862 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.830 4.593 -25.460 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.845 5.762 -25.528 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.099 4.956 -24.684 1.00 0.00 C ATOM 0 H LEU A 74 -6.242 1.861 -26.970 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.080 3.051 -28.337 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.982 4.884 -27.576 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.243 3.873 -26.899 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.337 3.789 -24.914 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.617 6.105 -24.519 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.927 5.436 -26.016 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.288 6.579 -26.098 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.828 5.316 -23.691 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.641 5.737 -25.217 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.733 4.074 -24.590 1.00 0.00 H new ATOM 1164 N SER A 75 -3.393 1.792 -25.409 1.00 0.00 N ATOM 1165 CA SER A 75 -2.302 1.420 -24.525 1.00 0.00 C ATOM 1166 C SER A 75 -1.351 0.459 -25.242 1.00 0.00 C ATOM 1167 O SER A 75 -0.147 0.469 -24.990 1.00 0.00 O ATOM 1168 CB SER A 75 -2.829 0.784 -23.237 1.00 0.00 C ATOM 1169 OG SER A 75 -4.246 0.883 -23.133 1.00 0.00 O ATOM 0 H SER A 75 -4.310 1.447 -25.124 1.00 0.00 H new ATOM 0 HA SER A 75 -1.757 2.325 -24.255 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.536 -0.265 -23.205 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.368 1.270 -22.378 1.00 0.00 H new ATOM 0 HG SER A 75 -4.541 1.744 -23.495 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.928 -0.349 -26.119 1.00 0.00 N ATOM 1176 CA LYS A 76 -1.146 -1.315 -26.873 1.00 0.00 C ATOM 1177 C LYS A 76 -0.091 -0.577 -27.698 1.00 0.00 C ATOM 1178 O LYS A 76 0.882 -1.180 -28.149 1.00 0.00 O ATOM 1179 CB LYS A 76 -2.064 -2.210 -27.709 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.895 -1.927 -29.203 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.842 -2.794 -30.035 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.590 -2.599 -31.531 1.00 0.00 C ATOM 1183 NZ LYS A 76 -2.554 -3.906 -32.224 1.00 0.00 N ATOM 0 H LYS A 76 -2.927 -0.355 -26.325 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.613 -1.985 -26.198 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.840 -3.257 -27.506 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.102 -2.044 -27.419 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.091 -0.873 -29.402 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.864 -2.121 -29.499 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.705 -3.843 -29.773 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.875 -2.539 -29.800 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.374 -1.975 -31.960 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.647 -2.074 -31.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.382 -3.756 -33.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.790 -4.489 -31.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.464 -4.392 -32.095 1.00 0.00 H new ATOM 1197 N THR A 77 -0.318 0.717 -27.871 1.00 0.00 N ATOM 1198 CA THR A 77 0.602 1.543 -28.633 1.00 0.00 C ATOM 1199 C THR A 77 1.672 2.137 -27.715 1.00 0.00 C ATOM 1200 O THR A 77 2.705 2.612 -28.186 1.00 0.00 O ATOM 1201 CB THR A 77 -0.218 2.601 -29.375 1.00 0.00 C ATOM 1202 OG1 THR A 77 -0.379 3.648 -28.422 1.00 0.00 O ATOM 1203 CG2 THR A 77 -1.647 2.139 -29.666 1.00 0.00 C ATOM 0 H THR A 77 -1.126 1.213 -27.496 1.00 0.00 H new ATOM 0 HA THR A 77 1.144 0.953 -29.372 1.00 0.00 H new ATOM 0 HB THR A 77 0.279 2.852 -30.312 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.309 3.669 -28.113 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.184 2.927 -30.193 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.620 1.242 -30.284 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.156 1.918 -28.728 1.00 0.00 H new ATOM 1211 N PHE A 78 1.388 2.092 -26.422 1.00 0.00 N ATOM 1212 CA PHE A 78 2.313 2.620 -25.435 1.00 0.00 C ATOM 1213 C PHE A 78 3.078 1.491 -24.741 1.00 0.00 C ATOM 1214 O PHE A 78 4.034 1.741 -24.010 1.00 0.00 O ATOM 1215 CB PHE A 78 1.477 3.368 -24.392 1.00 0.00 C ATOM 1216 CG PHE A 78 0.917 4.704 -24.886 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.656 5.483 -25.721 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.319 5.111 -24.491 1.00 0.00 C ATOM 1219 CE1 PHE A 78 1.136 6.722 -26.179 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -0.839 6.350 -24.949 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.101 7.129 -25.784 1.00 0.00 C ATOM 0 H PHE A 78 0.530 1.698 -26.035 1.00 0.00 H new ATOM 0 HA PHE A 78 3.040 3.272 -25.919 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.649 2.731 -24.080 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.091 3.547 -23.509 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.637 5.159 -26.035 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.905 4.491 -23.829 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.722 7.342 -26.841 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.820 6.674 -24.634 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.497 8.071 -26.134 1.00 0.00 H new ATOM 1231 N ILE A 79 2.628 0.271 -24.995 1.00 0.00 N ATOM 1232 CA ILE A 79 3.258 -0.898 -24.405 1.00 0.00 C ATOM 1233 C ILE A 79 4.770 -0.824 -24.627 1.00 0.00 C ATOM 1234 O ILE A 79 5.230 -0.714 -25.764 1.00 0.00 O ATOM 1235 CB ILE A 79 2.620 -2.179 -24.943 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.405 -2.582 -24.104 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.650 -3.306 -25.039 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.098 -4.072 -24.263 1.00 0.00 C ATOM 0 H ILE A 79 1.834 0.067 -25.602 1.00 0.00 H new ATOM 0 HA ILE A 79 3.094 -0.916 -23.328 1.00 0.00 H new ATOM 0 HB ILE A 79 2.262 -1.983 -25.954 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.592 -2.356 -23.054 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.538 -1.994 -24.407 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.170 -4.206 -25.424 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.454 -3.007 -25.711 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.060 -3.509 -24.050 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.230 -4.331 -23.656 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.887 -4.290 -25.310 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.957 -4.657 -23.936 1.00 0.00 H new ATOM 1250 N ILE A 80 5.501 -0.884 -23.525 1.00 0.00 N ATOM 1251 CA ILE A 80 6.952 -0.827 -23.584 1.00 0.00 C ATOM 1252 C ILE A 80 7.528 -2.212 -23.287 1.00 0.00 C ATOM 1253 O ILE A 80 8.580 -2.576 -23.806 1.00 0.00 O ATOM 1254 CB ILE A 80 7.482 0.272 -22.660 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.425 0.681 -21.631 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.992 1.468 -23.465 1.00 0.00 C ATOM 1257 CD1 ILE A 80 6.998 1.678 -20.623 1.00 0.00 C ATOM 0 H ILE A 80 5.116 -0.972 -22.585 1.00 0.00 H new ATOM 0 HA ILE A 80 7.281 -0.556 -24.587 1.00 0.00 H new ATOM 0 HB ILE A 80 8.332 -0.128 -22.107 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.569 1.124 -22.140 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.061 -0.203 -21.107 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.363 2.234 -22.784 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.799 1.146 -24.123 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.178 1.878 -24.063 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.226 1.952 -19.903 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.838 1.223 -20.099 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.338 2.571 -21.148 1.00 0.00 H new ATOM 1269 N GLY A 81 6.810 -2.948 -22.449 1.00 0.00 N ATOM 1270 CA GLY A 81 7.236 -4.286 -22.076 1.00 0.00 C ATOM 1271 C GLY A 81 6.123 -5.029 -21.336 1.00 0.00 C ATOM 1272 O GLY A 81 4.941 -4.790 -21.582 1.00 0.00 O ATOM 0 H GLY A 81 5.937 -2.643 -22.019 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.519 -4.844 -22.969 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.122 -4.226 -21.443 1.00 0.00 H new ATOM 1276 N GLU A 82 6.538 -5.917 -20.445 1.00 0.00 N ATOM 1277 CA GLU A 82 5.591 -6.696 -19.666 1.00 0.00 C ATOM 1278 C GLU A 82 6.211 -7.105 -18.329 1.00 0.00 C ATOM 1279 O GLU A 82 7.425 -7.023 -18.153 1.00 0.00 O ATOM 1280 CB GLU A 82 5.116 -7.922 -20.449 1.00 0.00 C ATOM 1281 CG GLU A 82 5.131 -7.651 -21.954 1.00 0.00 C ATOM 1282 CD GLU A 82 4.791 -8.917 -22.743 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.416 -9.958 -22.444 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.914 -8.817 -23.628 1.00 0.00 O ATOM 0 H GLU A 82 7.519 -6.114 -20.245 1.00 0.00 H new ATOM 0 HA GLU A 82 4.719 -6.074 -19.463 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.758 -8.773 -20.223 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.108 -8.191 -20.134 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.414 -6.866 -22.193 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.114 -7.286 -22.252 1.00 0.00 H new ATOM 1291 N LEU A 83 5.349 -7.539 -17.421 1.00 0.00 N ATOM 1292 CA LEU A 83 5.796 -7.962 -16.105 1.00 0.00 C ATOM 1293 C LEU A 83 6.429 -9.351 -16.209 1.00 0.00 C ATOM 1294 O LEU A 83 5.762 -10.314 -16.582 1.00 0.00 O ATOM 1295 CB LEU A 83 4.650 -7.882 -15.097 1.00 0.00 C ATOM 1296 CG LEU A 83 5.046 -7.962 -13.621 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.532 -8.294 -13.469 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.667 -6.677 -12.881 1.00 0.00 C ATOM 0 H LEU A 83 4.342 -7.607 -17.571 1.00 0.00 H new ATOM 0 HA LEU A 83 6.565 -7.287 -15.729 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.115 -6.946 -15.259 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.950 -8.690 -15.309 1.00 0.00 H new ATOM 0 HG LEU A 83 4.486 -8.776 -13.161 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.787 -8.345 -12.410 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.740 -9.255 -13.939 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.129 -7.519 -13.949 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.959 -6.760 -11.834 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.182 -5.830 -13.335 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.590 -6.524 -12.946 1.00 0.00 H new ATOM 1310 N HIS A 84 7.710 -9.410 -15.871 1.00 0.00 N ATOM 1311 CA HIS A 84 8.439 -10.666 -15.922 1.00 0.00 C ATOM 1312 C HIS A 84 7.863 -11.636 -14.888 1.00 0.00 C ATOM 1313 O HIS A 84 6.865 -11.334 -14.237 1.00 0.00 O ATOM 1314 CB HIS A 84 9.940 -10.430 -15.741 1.00 0.00 C ATOM 1315 CG HIS A 84 10.788 -10.986 -16.859 1.00 0.00 C ATOM 1316 ND1 HIS A 84 12.166 -11.100 -16.770 1.00 0.00 N ATOM 1317 CD2 HIS A 84 10.441 -11.461 -18.089 1.00 0.00 C ATOM 1318 CE1 HIS A 84 12.616 -11.618 -17.903 1.00 0.00 C ATOM 1319 NE2 HIS A 84 11.546 -11.841 -18.719 1.00 0.00 N ATOM 0 H HIS A 84 8.260 -8.609 -15.561 1.00 0.00 H new ATOM 0 HA HIS A 84 8.317 -11.122 -16.905 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.122 -9.358 -15.659 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.257 -10.880 -14.800 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.437 -11.518 -18.484 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.649 -11.827 -18.139 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.588 -12.235 -19.659 1.00 0.00 H new ATOM 1328 N PRO A 85 8.534 -12.813 -14.768 1.00 0.00 N ATOM 1329 CA PRO A 85 8.099 -13.829 -13.825 1.00 0.00 C ATOM 1330 C PRO A 85 8.461 -13.438 -12.391 1.00 0.00 C ATOM 1331 O PRO A 85 8.427 -14.273 -11.489 1.00 0.00 O ATOM 1332 CB PRO A 85 8.784 -15.108 -14.282 1.00 0.00 C ATOM 1333 CG PRO A 85 9.933 -14.669 -15.175 1.00 0.00 C ATOM 1334 CD PRO A 85 9.720 -13.205 -15.524 1.00 0.00 C ATOM 0 HA PRO A 85 7.016 -13.954 -13.812 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.149 -15.682 -13.430 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.090 -15.750 -14.825 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.886 -14.805 -14.664 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.967 -15.276 -16.080 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.584 -12.602 -15.246 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.569 -13.071 -16.595 1.00 0.00 H new ATOM 1342 N ASP A 86 8.798 -12.167 -12.227 1.00 0.00 N ATOM 1343 CA ASP A 86 9.166 -11.654 -10.917 1.00 0.00 C ATOM 1344 C ASP A 86 7.897 -11.323 -10.130 1.00 0.00 C ATOM 1345 O ASP A 86 7.897 -11.354 -8.901 1.00 0.00 O ATOM 1346 CB ASP A 86 9.994 -10.374 -11.040 1.00 0.00 C ATOM 1347 CG ASP A 86 9.705 -9.313 -9.978 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.163 -9.516 -8.832 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.033 -8.321 -10.334 1.00 0.00 O ATOM 0 H ASP A 86 8.824 -11.478 -12.978 1.00 0.00 H new ATOM 0 HA ASP A 86 9.756 -12.417 -10.409 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.051 -10.637 -10.991 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.819 -9.939 -12.024 1.00 0.00 H new ATOM 1354 N ASP A 87 6.843 -11.011 -10.872 1.00 0.00 N ATOM 1355 CA ASP A 87 5.571 -10.672 -10.258 1.00 0.00 C ATOM 1356 C ASP A 87 4.457 -10.800 -11.300 1.00 0.00 C ATOM 1357 O ASP A 87 3.769 -9.827 -11.602 1.00 0.00 O ATOM 1358 CB ASP A 87 5.572 -9.231 -9.743 1.00 0.00 C ATOM 1359 CG ASP A 87 6.142 -9.048 -8.335 1.00 0.00 C ATOM 1360 OD1 ASP A 87 7.382 -8.920 -8.237 1.00 0.00 O ATOM 1361 OD2 ASP A 87 5.326 -9.043 -7.389 1.00 0.00 O ATOM 0 H ASP A 87 6.845 -10.986 -11.892 1.00 0.00 H new ATOM 0 HA ASP A 87 5.409 -11.353 -9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.147 -8.614 -10.434 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.549 -8.856 -9.756 1.00 0.00 H new ATOM 1366 N ARG A 88 4.315 -12.011 -11.821 1.00 0.00 N ATOM 1367 CA ARG A 88 3.297 -12.279 -12.824 1.00 0.00 C ATOM 1368 C ARG A 88 1.923 -12.416 -12.162 1.00 0.00 C ATOM 1369 O ARG A 88 1.149 -11.461 -12.127 1.00 0.00 O ATOM 1370 CB ARG A 88 3.612 -13.560 -13.598 1.00 0.00 C ATOM 1371 CG ARG A 88 4.839 -13.371 -14.492 1.00 0.00 C ATOM 1372 CD ARG A 88 4.491 -12.549 -15.736 1.00 0.00 C ATOM 1373 NE ARG A 88 3.294 -13.114 -16.398 1.00 0.00 N ATOM 1374 CZ ARG A 88 3.331 -14.116 -17.287 1.00 0.00 C ATOM 1375 NH1 ARG A 88 4.503 -14.669 -17.626 1.00 0.00 N ATOM 1376 NH2 ARG A 88 2.194 -14.564 -17.837 1.00 0.00 N ATOM 0 H ARG A 88 4.887 -12.817 -11.568 1.00 0.00 H new ATOM 0 HA ARG A 88 3.287 -11.440 -13.520 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.789 -14.378 -12.899 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.753 -13.842 -14.207 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.629 -12.871 -13.931 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.228 -14.344 -14.792 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.306 -11.512 -15.457 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.333 -12.548 -16.428 1.00 0.00 H new ATOM 0 HE ARG A 88 2.385 -12.716 -16.163 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.368 -14.327 -17.207 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.530 -15.432 -18.303 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.302 -14.142 -17.579 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.221 -15.327 -18.514 1.00 0.00 H new ATOM 1390 N SER A 89 1.664 -13.611 -11.652 1.00 0.00 N ATOM 1391 CA SER A 89 0.398 -13.885 -10.994 1.00 0.00 C ATOM 1392 C SER A 89 0.197 -12.921 -9.825 1.00 0.00 C ATOM 1393 O SER A 89 -0.896 -12.834 -9.268 1.00 0.00 O ATOM 1394 CB SER A 89 0.334 -15.334 -10.504 1.00 0.00 C ATOM 1395 OG SER A 89 1.311 -15.601 -9.502 1.00 0.00 O ATOM 0 H SER A 89 2.309 -14.400 -11.681 1.00 0.00 H new ATOM 0 HA SER A 89 -0.403 -13.739 -11.719 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.660 -15.539 -10.105 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.485 -16.009 -11.347 1.00 0.00 H new ATOM 0 HG SER A 89 1.237 -16.535 -9.214 1.00 0.00 H new ATOM 1401 N LYS A 90 1.268 -12.217 -9.488 1.00 0.00 N ATOM 1402 CA LYS A 90 1.223 -11.260 -8.395 1.00 0.00 C ATOM 1403 C LYS A 90 0.335 -10.080 -8.793 1.00 0.00 C ATOM 1404 O LYS A 90 -0.217 -9.397 -7.933 1.00 0.00 O ATOM 1405 CB LYS A 90 2.637 -10.853 -7.980 1.00 0.00 C ATOM 1406 CG LYS A 90 2.987 -11.415 -6.601 1.00 0.00 C ATOM 1407 CD LYS A 90 3.478 -12.860 -6.705 1.00 0.00 C ATOM 1408 CE LYS A 90 4.744 -13.071 -5.873 1.00 0.00 C ATOM 1409 NZ LYS A 90 4.422 -13.762 -4.604 1.00 0.00 N ATOM 0 H LYS A 90 2.173 -12.290 -9.953 1.00 0.00 H new ATOM 0 HA LYS A 90 0.775 -11.713 -7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.354 -11.215 -8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.717 -9.766 -7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.757 -10.798 -6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.111 -11.371 -5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.697 -13.539 -6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.679 -13.105 -7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.466 -13.658 -6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.212 -12.109 -5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.293 -13.897 -4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.750 -13.187 -4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.996 -14.688 -4.811 1.00 0.00 H new ATOM 1423 N ILE A 91 0.225 -9.877 -10.098 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.587 -8.790 -10.620 1.00 0.00 C ATOM 1425 C ILE A 91 -1.474 -9.319 -11.749 1.00 0.00 C ATOM 1426 O ILE A 91 -2.670 -9.036 -11.787 1.00 0.00 O ATOM 1427 CB ILE A 91 0.298 -7.613 -11.033 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.658 -7.691 -12.518 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.541 -7.522 -10.146 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.514 -6.496 -12.939 1.00 0.00 C ATOM 0 H ILE A 91 0.684 -10.446 -10.809 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.251 -8.404 -9.847 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.269 -6.693 -10.887 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.198 -8.617 -12.717 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.253 -7.718 -13.116 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.152 -6.677 -10.462 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.238 -7.383 -9.108 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.120 -8.441 -10.235 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.755 -6.577 -13.999 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.962 -5.573 -12.762 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.435 -6.485 -12.357 1.00 0.00 H new ATOM 1442 N THR A 92 -0.853 -10.079 -12.640 1.00 0.00 N ATOM 1443 CA THR A 92 -1.572 -10.650 -13.766 1.00 0.00 C ATOM 1444 C THR A 92 -2.954 -11.137 -13.326 1.00 0.00 C ATOM 1445 O THR A 92 -3.126 -11.589 -12.195 1.00 0.00 O ATOM 1446 CB THR A 92 -0.702 -11.755 -14.370 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.007 -11.714 -15.761 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.144 -13.153 -13.931 1.00 0.00 C ATOM 0 H THR A 92 0.139 -10.312 -12.605 1.00 0.00 H new ATOM 0 HA THR A 92 -1.757 -9.902 -14.537 1.00 0.00 H new ATOM 0 HB THR A 92 0.338 -11.597 -14.084 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.485 -12.398 -16.231 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.494 -13.900 -14.387 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.080 -13.231 -12.846 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.173 -13.325 -14.247 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.903 -11.026 -14.243 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.265 -11.450 -13.964 1.00 0.00 C ATOM 1458 C LYS A 93 -5.748 -10.782 -12.675 1.00 0.00 C ATOM 1459 O LYS A 93 -5.463 -11.264 -11.579 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.359 -12.976 -13.939 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.813 -13.439 -14.036 1.00 0.00 C ATOM 1462 CD LYS A 93 -7.212 -14.256 -12.806 1.00 0.00 C ATOM 1463 CE LYS A 93 -8.733 -14.294 -12.641 1.00 0.00 C ATOM 1464 NZ LYS A 93 -9.101 -14.229 -11.209 1.00 0.00 N ATOM 0 H LYS A 93 -3.757 -10.649 -15.179 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.935 -11.128 -14.761 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.785 -13.392 -14.767 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.914 -13.356 -13.020 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.468 -12.573 -14.130 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.948 -14.040 -14.935 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.828 -15.272 -12.900 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.757 -13.824 -11.915 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -9.184 -13.459 -13.177 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.130 -15.208 -13.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -10.136 -14.256 -11.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.687 -15.040 -10.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.739 -13.345 -10.797 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.489 -9.655 -12.852 1.00 0.00 N ATOM 1479 CA PRO A 94 -7.012 -8.917 -11.716 1.00 0.00 C ATOM 1480 C PRO A 94 -8.206 -9.645 -11.093 1.00 0.00 C ATOM 1481 O PRO A 94 -8.557 -10.746 -11.517 1.00 0.00 O ATOM 1482 CB PRO A 94 -7.374 -7.548 -12.269 1.00 0.00 C ATOM 1483 CG PRO A 94 -7.475 -7.720 -13.776 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.844 -9.056 -14.135 1.00 0.00 C ATOM 0 HA PRO A 94 -6.290 -8.826 -10.905 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.317 -7.196 -11.852 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.615 -6.809 -12.010 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.517 -7.692 -14.095 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.963 -6.906 -14.289 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.540 -9.687 -14.687 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.965 -8.922 -14.766 1.00 0.00 H new ATOM 1492 N SER A 95 -8.796 -9.001 -10.097 1.00 0.00 N ATOM 1493 CA SER A 95 -9.943 -9.573 -9.411 1.00 0.00 C ATOM 1494 C SER A 95 -10.738 -8.470 -8.709 1.00 0.00 C ATOM 1495 O SER A 95 -10.243 -7.357 -8.541 1.00 0.00 O ATOM 1496 CB SER A 95 -9.507 -10.637 -8.403 1.00 0.00 C ATOM 1497 OG SER A 95 -10.257 -11.841 -8.540 1.00 0.00 O ATOM 0 H SER A 95 -8.502 -8.089 -9.748 1.00 0.00 H new ATOM 0 HA SER A 95 -10.580 -10.054 -10.153 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.447 -10.853 -8.539 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.626 -10.249 -7.392 1.00 0.00 H new ATOM 0 HG SER A 95 -9.948 -12.496 -7.880 1.00 0.00 H new ATOM 1503 N GLU A 96 -11.954 -8.818 -8.319 1.00 0.00 N ATOM 1504 CA GLU A 96 -12.821 -7.871 -7.638 1.00 0.00 C ATOM 1505 C GLU A 96 -13.223 -8.411 -6.265 1.00 0.00 C ATOM 1506 O GLU A 96 -12.865 -9.532 -5.905 1.00 0.00 O ATOM 1507 CB GLU A 96 -14.056 -7.553 -8.484 1.00 0.00 C ATOM 1508 CG GLU A 96 -13.876 -6.234 -9.240 1.00 0.00 C ATOM 1509 CD GLU A 96 -14.620 -6.264 -10.578 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -15.660 -6.954 -10.632 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -14.132 -5.595 -11.513 1.00 0.00 O ATOM 0 H GLU A 96 -12.360 -9.743 -8.461 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.269 -6.942 -7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -14.234 -8.362 -9.193 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -14.935 -7.492 -7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.246 -5.409 -8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.815 -6.052 -9.413 1.00 0.00 H new ATOM 1518 N SER A 97 -13.961 -7.589 -5.533 1.00 0.00 N ATOM 1519 CA SER A 97 -14.415 -7.971 -4.207 1.00 0.00 C ATOM 1520 C SER A 97 -15.665 -7.173 -3.832 1.00 0.00 C ATOM 1521 O SER A 97 -16.042 -6.236 -4.535 1.00 0.00 O ATOM 1522 CB SER A 97 -13.316 -7.753 -3.165 1.00 0.00 C ATOM 1523 OG SER A 97 -12.793 -6.429 -3.207 1.00 0.00 O ATOM 0 H SER A 97 -14.256 -6.660 -5.833 1.00 0.00 H new ATOM 0 HA SER A 97 -14.660 -9.033 -4.222 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.715 -7.953 -2.171 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.510 -8.466 -3.335 1.00 0.00 H new ATOM 0 HG SER A 97 -12.096 -6.331 -2.525 1.00 0.00 H new ATOM 1529 N ILE A 98 -16.276 -7.574 -2.726 1.00 0.00 N ATOM 1530 CA ILE A 98 -17.476 -6.907 -2.249 1.00 0.00 C ATOM 1531 C ILE A 98 -17.324 -6.599 -0.758 1.00 0.00 C ATOM 1532 O ILE A 98 -16.899 -7.454 0.016 1.00 0.00 O ATOM 1533 CB ILE A 98 -18.717 -7.735 -2.584 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -19.994 -6.923 -2.363 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -18.729 -9.048 -1.797 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -20.581 -6.450 -3.695 1.00 0.00 C ATOM 0 H ILE A 98 -15.962 -8.353 -2.147 1.00 0.00 H new ATOM 0 HA ILE A 98 -17.611 -5.953 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 98 -18.679 -7.994 -3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -20.728 -7.530 -1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -19.777 -6.062 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -19.622 -9.618 -2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -17.842 -9.630 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -18.731 -8.832 -0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -21.488 -5.875 -3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -19.854 -5.823 -4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -20.820 -7.314 -4.315 1.00 0.00 H new ATOM 1548 N ILE A 99 -17.683 -5.375 -0.400 1.00 0.00 N ATOM 1549 CA ILE A 99 -17.593 -4.944 0.985 1.00 0.00 C ATOM 1550 C ILE A 99 -18.977 -4.502 1.468 1.00 0.00 C ATOM 1551 O ILE A 99 -19.516 -3.505 0.990 1.00 0.00 O ATOM 1552 CB ILE A 99 -16.515 -3.871 1.143 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -15.142 -4.407 0.732 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -16.507 -3.306 2.566 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -14.308 -3.318 0.057 1.00 0.00 C ATOM 0 H ILE A 99 -18.037 -4.668 -1.045 1.00 0.00 H new ATOM 0 HA ILE A 99 -17.282 -5.772 1.622 1.00 0.00 H new ATOM 0 HB ILE A 99 -16.753 -3.047 0.470 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -14.616 -4.781 1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -15.265 -5.250 0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -15.731 -2.545 2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -17.477 -2.861 2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -16.307 -4.109 3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -13.337 -3.726 -0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -14.826 -2.963 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -14.166 -2.487 0.748 1.00 0.00 H new ATOM 1567 N THR A 100 -19.511 -5.265 2.409 1.00 0.00 N ATOM 1568 CA THR A 100 -20.822 -4.966 2.962 1.00 0.00 C ATOM 1569 C THR A 100 -20.710 -3.886 4.042 1.00 0.00 C ATOM 1570 O THR A 100 -19.688 -3.783 4.718 1.00 0.00 O ATOM 1571 CB THR A 100 -21.431 -6.274 3.471 1.00 0.00 C ATOM 1572 OG1 THR A 100 -22.747 -5.907 3.877 1.00 0.00 O ATOM 1573 CG2 THR A 100 -20.768 -6.767 4.758 1.00 0.00 C ATOM 0 H THR A 100 -19.060 -6.091 2.803 1.00 0.00 H new ATOM 0 HA THR A 100 -21.488 -4.556 2.203 1.00 0.00 H new ATOM 0 HB THR A 100 -21.342 -7.040 2.701 1.00 0.00 H new ATOM 0 HG1 THR A 100 -23.216 -6.696 4.220 1.00 0.00 H new ATOM 0 HG21 THR A 100 -21.238 -7.698 5.076 1.00 0.00 H new ATOM 0 HG22 THR A 100 -19.707 -6.939 4.578 1.00 0.00 H new ATOM 0 HG23 THR A 100 -20.886 -6.016 5.539 1.00 0.00 H new ATOM 1581 N THR A 101 -21.776 -3.111 4.169 1.00 0.00 N ATOM 1582 CA THR A 101 -21.812 -2.043 5.154 1.00 0.00 C ATOM 1583 C THR A 101 -23.239 -1.835 5.664 1.00 0.00 C ATOM 1584 O THR A 101 -24.179 -1.764 4.874 1.00 0.00 O ATOM 1585 CB THR A 101 -21.204 -0.792 4.519 1.00 0.00 C ATOM 1586 OG1 THR A 101 -21.129 0.142 5.592 1.00 0.00 O ATOM 1587 CG2 THR A 101 -22.149 -0.129 3.513 1.00 0.00 C ATOM 0 H THR A 101 -22.622 -3.201 3.606 1.00 0.00 H new ATOM 0 HA THR A 101 -21.221 -2.297 6.034 1.00 0.00 H new ATOM 0 HB THR A 101 -20.270 -1.055 4.022 1.00 0.00 H new ATOM 0 HG1 THR A 101 -20.744 0.983 5.268 1.00 0.00 H new ATOM 0 HG21 THR A 101 -21.670 0.754 3.091 1.00 0.00 H new ATOM 0 HG22 THR A 101 -22.381 -0.833 2.714 1.00 0.00 H new ATOM 0 HG23 THR A 101 -23.070 0.164 4.017 1.00 0.00 H new ATOM 1595 N ILE A 102 -23.355 -1.742 6.981 1.00 0.00 N ATOM 1596 CA ILE A 102 -24.652 -1.543 7.605 1.00 0.00 C ATOM 1597 C ILE A 102 -24.927 -0.044 7.734 1.00 0.00 C ATOM 1598 O ILE A 102 -24.134 0.778 7.276 1.00 0.00 O ATOM 1599 CB ILE A 102 -24.729 -2.299 8.933 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -23.864 -1.622 10.000 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -24.363 -3.773 8.748 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -24.695 -0.656 10.848 1.00 0.00 C ATOM 0 H ILE A 102 -22.572 -1.801 7.633 1.00 0.00 H new ATOM 0 HA ILE A 102 -25.443 -1.960 6.981 1.00 0.00 H new ATOM 0 HB ILE A 102 -25.760 -2.266 9.285 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -23.413 -2.379 10.642 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -23.047 -1.081 9.522 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -24.426 -4.287 9.707 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -25.055 -4.234 8.043 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -23.347 -3.850 8.361 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -24.057 -0.189 11.598 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -25.125 0.114 10.207 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -25.496 -1.204 11.344 1.00 0.00 H new ATOM 1614 N ASP A 103 -26.053 0.268 8.359 1.00 0.00 N ATOM 1615 CA ASP A 103 -26.441 1.655 8.554 1.00 0.00 C ATOM 1616 C ASP A 103 -27.227 1.781 9.861 1.00 0.00 C ATOM 1617 O ASP A 103 -27.562 0.776 10.487 1.00 0.00 O ATOM 1618 CB ASP A 103 -27.339 2.139 7.414 1.00 0.00 C ATOM 1619 CG ASP A 103 -28.811 1.740 7.535 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -29.054 0.548 7.821 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -29.660 2.636 7.337 1.00 0.00 O ATOM 0 H ASP A 103 -26.709 -0.416 8.737 1.00 0.00 H new ATOM 0 HA ASP A 103 -25.534 2.259 8.582 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -27.276 3.226 7.359 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -26.949 1.749 6.474 1.00 0.00 H new ATOM 1626 N SER A 104 -27.499 3.023 10.232 1.00 0.00 N ATOM 1627 CA SER A 104 -28.240 3.293 11.453 1.00 0.00 C ATOM 1628 C SER A 104 -29.507 4.088 11.131 1.00 0.00 C ATOM 1629 O SER A 104 -30.140 3.862 10.102 1.00 0.00 O ATOM 1630 CB SER A 104 -27.378 4.054 12.464 1.00 0.00 C ATOM 1631 OG SER A 104 -28.168 4.728 13.438 1.00 0.00 O ATOM 0 H SER A 104 -27.220 3.853 9.709 1.00 0.00 H new ATOM 0 HA SER A 104 -28.521 2.340 11.901 1.00 0.00 H new ATOM 0 HB2 SER A 104 -26.704 3.357 12.963 1.00 0.00 H new ATOM 0 HB3 SER A 104 -26.756 4.778 11.938 1.00 0.00 H new ATOM 0 HG SER A 104 -27.581 5.200 14.065 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -7.997 5.426 -17.359 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.595 7.335 -18.399 1.00 0.00 C HETATM 1640 CHB HEM A 105 -7.046 4.932 -20.628 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.515 3.332 -16.301 1.00 0.00 C HETATM 1642 CHD HEM A 105 -8.795 6.075 -14.099 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.699 6.009 -19.129 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.835 6.718 -19.385 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.082 6.783 -20.837 1.00 0.00 C HETATM 1646 C3A HEM A 105 -9.040 6.170 -21.482 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.176 5.700 -20.423 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.827 6.004 -22.986 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.313 7.383 -21.489 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.544 6.519 -21.257 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.252 5.039 -21.402 1.00 0.00 C HETATM 1652 O1A HEM A 105 -11.675 4.642 -22.431 1.00 0.00 O HETATM 1653 O2A HEM A 105 -12.634 4.255 -20.513 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.578 4.391 -18.256 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.302 4.307 -19.631 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.166 3.435 -19.887 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.779 2.934 -18.658 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.634 3.558 -17.674 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.616 3.073 -21.266 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.923 1.852 -18.344 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.659 1.563 -18.799 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.303 4.827 -15.590 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.284 3.916 -15.338 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.104 3.665 -13.891 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.040 4.448 -13.280 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.754 5.185 -14.329 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.075 2.675 -13.290 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.296 4.562 -11.905 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.269 4.637 -10.978 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.429 6.460 -16.424 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.590 6.668 -15.051 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.656 7.596 -14.782 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.120 7.980 -15.984 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.403 7.234 -17.014 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.197 8.023 -13.425 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.127 9.073 -16.247 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.517 8.494 -16.335 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.364 9.204 -17.363 1.00 0.00 C HETATM 1679 O1D HEM A 105 -15.451 8.681 -17.685 1.00 0.00 O HETATM 1680 O2D HEM A 105 -13.955 10.292 -17.836 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.794 5.956 -23.487 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.273 5.084 -23.176 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.262 6.853 -23.369 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -5.426 3.087 -21.996 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.175 2.077 -21.232 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -3.854 3.797 -21.555 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -4.906 1.857 -13.990 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.459 2.276 -12.351 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.135 3.195 -13.105 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.077 7.207 -12.712 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.254 8.272 -13.517 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -10.648 8.896 -13.073 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.142 0.672 -18.443 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.173 2.225 -19.516 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.499 4.725 -9.916 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.231 4.608 -11.311 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.322 6.803 -21.966 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -12.936 6.712 -20.259 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.141 7.494 -22.560 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.488 8.382 -21.089 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -13.999 8.561 -15.360 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.453 7.436 -16.587 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -11.881 9.588 -17.176 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.085 9.815 -15.450 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.415 7.954 -18.733 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.712 4.806 -21.647 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.753 2.639 -15.976 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.001 6.326 -13.069 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.330 1.136 -17.630 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.329 4.592 -11.558 1.00 0.00 H new