USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 755 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 120 SER OG : rot 180:sc= -1.22 USER MOD Set 1.2: B 124 LYS NZ :NH3+ 169:sc= -0.569 (180deg=-1.11!) USER MOD Set 2.1: A 51 MET CE :methyl 163:sc= -1.22 (180deg=-2.95!) USER MOD Set 2.2: A 67 SER OG : rot 180:sc= -0.0203 USER MOD Set 3.1: A 44 TYR OH : rot -66:sc= 0.0423 USER MOD Set 3.2: A 46 GLN : amide:sc= -3.79 X(o=-3.7,f=-4.2!) USER MOD Set 4.1: A 16 HIS : no HE2:sc= -7.28! C(o=-8.7!,f=-12!) USER MOD Set 4.2: A 21 GLN : amide:sc= -1.38! X(o=-8.7!,f=-8.2) USER MOD Single : A 3 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 4 GLN : amide:sc= -6.74! C(o=-6.7!,f=-6.5!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -120:sc= -0.314 (180deg=-1.88) USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 164:sc= -10.8! (180deg=-13.3!) USER MOD Single : A 32 HIS : no HD1:sc= -2.68! C(o=-2.7!,f=-2.7!) USER MOD Single : A 33 TYR OH : rot -149:sc= 1.38 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 37 TYR OH : rot -15:sc= -3.46! USER MOD Single : A 39 MET CE :methyl -157:sc= -0.472 (180deg=-1.71!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.0135 F(o=-2.4!,f=-0.014) USER MOD Single : A 47 GLN :FLIP amide:sc= -2.91! C(o=-6!,f=-2.9!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 50 HIS :FLIP no HE2:sc= -3.15! C(o=-4!,f=-3.1!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -36:sc= -3.7! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -147:sc= -1.33! (180deg=-2.88!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.834 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 160:sc= -7.62! (180deg=-9.06!) USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= -1.75! (180deg=-2.12!) USER MOD Single : A 83 ASN : amide:sc= -1.98 X(o=-2,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 3 7.148 -1.197 -0.859 1.00 0.00 N ATOM 38 CA ASN A 3 8.021 -1.881 -1.807 1.00 0.00 C ATOM 39 C ASN A 3 9.488 -1.653 -1.457 1.00 0.00 C ATOM 40 O ASN A 3 9.893 -0.535 -1.137 1.00 0.00 O ATOM 41 CB ASN A 3 7.743 -1.394 -3.231 1.00 0.00 C ATOM 42 CG ASN A 3 7.813 -2.516 -4.249 1.00 0.00 C ATOM 43 OD1 ASN A 3 8.910 -3.264 -4.231 1.00 0.00 O flip ATOM 44 ND2 ASN A 3 6.891 -2.708 -5.041 1.00 0.00 N flip ATOM 0 HA ASN A 3 7.814 -2.949 -1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.756 -0.934 -3.269 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.465 -0.621 -3.495 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.066 -2.108 -5.019 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.951 -3.467 -5.720 1.00 0.00 H new ATOM 51 N GLN A 4 10.279 -2.719 -1.521 1.00 0.00 N ATOM 52 CA GLN A 4 11.701 -2.635 -1.210 1.00 0.00 C ATOM 53 C GLN A 4 12.440 -1.812 -2.261 1.00 0.00 C ATOM 54 O GLN A 4 11.934 -1.594 -3.362 1.00 0.00 O ATOM 55 CB GLN A 4 12.310 -4.035 -1.123 1.00 0.00 C ATOM 56 CG GLN A 4 11.381 -5.064 -0.497 1.00 0.00 C ATOM 57 CD GLN A 4 10.733 -4.565 0.779 1.00 0.00 C ATOM 58 OE1 GLN A 4 11.355 -4.553 1.842 1.00 0.00 O ATOM 59 NE2 GLN A 4 9.476 -4.149 0.682 1.00 0.00 N ATOM 0 H GLN A 4 9.959 -3.651 -1.785 1.00 0.00 H new ATOM 0 HA GLN A 4 11.807 -2.140 -0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.584 -4.366 -2.125 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.230 -3.987 -0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.605 -5.331 -1.214 1.00 0.00 H new ATOM 0 HG3 GLN A 4 11.943 -5.973 -0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.998 -4.176 -0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.988 -3.802 1.508 1.00 0.00 H new ATOM 68 N VAL A 5 13.639 -1.356 -1.913 1.00 0.00 N ATOM 69 CA VAL A 5 14.448 -0.558 -2.826 1.00 0.00 C ATOM 70 C VAL A 5 15.935 -0.824 -2.620 1.00 0.00 C ATOM 71 O VAL A 5 16.334 -1.443 -1.633 1.00 0.00 O ATOM 72 CB VAL A 5 14.178 0.948 -2.645 1.00 0.00 C ATOM 73 CG1 VAL A 5 12.825 1.172 -1.987 1.00 0.00 C ATOM 74 CG2 VAL A 5 15.289 1.594 -1.832 1.00 0.00 C ATOM 0 H VAL A 5 14.072 -1.526 -1.005 1.00 0.00 H new ATOM 0 HA VAL A 5 14.166 -0.852 -3.837 1.00 0.00 H new ATOM 0 HB VAL A 5 14.159 1.417 -3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.651 2.241 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.041 0.745 -2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.812 0.690 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.082 2.658 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.342 1.123 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.240 1.465 -2.348 1.00 0.00 H new ATOM 84 N ARG A 6 16.750 -0.353 -3.557 1.00 0.00 N ATOM 85 CA ARG A 6 18.194 -0.541 -3.479 1.00 0.00 C ATOM 86 C ARG A 6 18.931 0.735 -3.876 1.00 0.00 C ATOM 87 O ARG A 6 19.046 1.074 -5.054 1.00 0.00 O ATOM 88 CB ARG A 6 18.629 -1.696 -4.383 1.00 0.00 C ATOM 89 CG ARG A 6 19.289 -2.841 -3.632 1.00 0.00 C ATOM 90 CD ARG A 6 19.924 -3.840 -4.587 1.00 0.00 C ATOM 91 NE ARG A 6 19.458 -5.202 -4.345 1.00 0.00 N ATOM 92 CZ ARG A 6 20.095 -6.285 -4.777 1.00 0.00 C ATOM 93 NH1 ARG A 6 21.220 -6.165 -5.469 1.00 0.00 N ATOM 94 NH2 ARG A 6 19.607 -7.491 -4.516 1.00 0.00 N ATOM 0 H ARG A 6 16.436 0.162 -4.379 1.00 0.00 H new ATOM 0 HA ARG A 6 18.448 -0.781 -2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 6 17.758 -2.077 -4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 6 19.322 -1.317 -5.134 1.00 0.00 H new ATOM 0 HG2 ARG A 6 20.049 -2.446 -2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 6 18.548 -3.347 -3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 6 19.695 -3.556 -5.614 1.00 0.00 H new ATOM 0 HD3 ARG A 6 21.008 -3.804 -4.481 1.00 0.00 H new ATOM 0 HE ARG A 6 18.596 -5.329 -3.815 1.00 0.00 H new ATOM 0 HH11 ARG A 6 21.598 -5.240 -5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 6 21.707 -6.998 -5.799 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.742 -7.587 -3.983 1.00 0.00 H new ATOM 0 HH22 ARG A 6 20.096 -8.322 -4.848 1.00 0.00 H new ATOM 108 N PRO A 7 19.441 1.461 -2.870 1.00 0.00 N ATOM 109 CA PRO A 7 20.176 2.710 -3.089 1.00 0.00 C ATOM 110 C PRO A 7 21.534 2.478 -3.741 1.00 0.00 C ATOM 111 O PRO A 7 22.443 1.919 -3.126 1.00 0.00 O ATOM 112 CB PRO A 7 20.350 3.271 -1.675 1.00 0.00 C ATOM 113 CG PRO A 7 20.293 2.079 -0.784 1.00 0.00 C ATOM 114 CD PRO A 7 19.342 1.117 -1.441 1.00 0.00 C ATOM 0 HA PRO A 7 19.647 3.380 -3.767 1.00 0.00 H new ATOM 0 HB2 PRO A 7 21.299 3.797 -1.572 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.562 3.984 -1.433 1.00 0.00 H new ATOM 0 HG2 PRO A 7 21.280 1.632 -0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 7 19.945 2.353 0.212 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.627 0.081 -1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.325 1.239 -1.068 1.00 0.00 H new ATOM 122 N LYS A 8 21.667 2.910 -4.990 1.00 0.00 N ATOM 123 CA LYS A 8 22.916 2.751 -5.727 1.00 0.00 C ATOM 124 C LYS A 8 24.044 3.530 -5.059 1.00 0.00 C ATOM 125 O LYS A 8 23.808 4.336 -4.158 1.00 0.00 O ATOM 126 CB LYS A 8 22.743 3.221 -7.173 1.00 0.00 C ATOM 127 CG LYS A 8 21.554 2.593 -7.878 1.00 0.00 C ATOM 128 CD LYS A 8 21.845 2.347 -9.350 1.00 0.00 C ATOM 129 CE LYS A 8 22.721 1.120 -9.547 1.00 0.00 C ATOM 130 NZ LYS A 8 23.118 0.946 -10.972 1.00 0.00 N ATOM 0 H LYS A 8 20.925 3.373 -5.514 1.00 0.00 H new ATOM 0 HA LYS A 8 23.178 1.693 -5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.630 4.305 -7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.650 2.990 -7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.299 1.650 -7.394 1.00 0.00 H new ATOM 0 HG3 LYS A 8 20.686 3.246 -7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 8 20.907 2.217 -9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.339 3.220 -9.775 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.615 1.209 -8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 8 22.186 0.233 -9.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.714 0.099 -11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.266 0.836 -11.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 23.651 1.781 -11.288 1.00 0.00 H new ATOM 144 N LEU A 9 25.271 3.287 -5.508 1.00 0.00 N ATOM 145 CA LEU A 9 26.437 3.968 -4.955 1.00 0.00 C ATOM 146 C LEU A 9 26.136 5.441 -4.698 1.00 0.00 C ATOM 147 O LEU A 9 26.259 5.939 -3.579 1.00 0.00 O ATOM 148 CB LEU A 9 27.627 3.837 -5.906 1.00 0.00 C ATOM 149 CG LEU A 9 27.351 3.130 -7.233 1.00 0.00 C ATOM 150 CD1 LEU A 9 28.403 3.504 -8.266 1.00 0.00 C ATOM 151 CD2 LEU A 9 27.308 1.622 -7.035 1.00 0.00 C ATOM 0 H LEU A 9 25.484 2.624 -6.253 1.00 0.00 H new ATOM 0 HA LEU A 9 26.686 3.496 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 9 28.006 4.836 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 9 28.422 3.299 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 9 26.378 3.456 -7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 9 28.190 2.991 -9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 9 28.386 4.582 -8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 9 29.388 3.208 -7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 9 27.110 1.135 -7.990 1.00 0.00 H new ATOM 0 HD22 LEU A 9 28.266 1.279 -6.644 1.00 0.00 H new ATOM 0 HD23 LEU A 9 26.517 1.370 -6.329 1.00 0.00 H new ATOM 163 N PRO A 10 25.730 6.156 -5.758 1.00 0.00 N ATOM 164 CA PRO A 10 25.401 7.582 -5.672 1.00 0.00 C ATOM 165 C PRO A 10 24.118 7.834 -4.887 1.00 0.00 C ATOM 166 O PRO A 10 23.830 8.966 -4.494 1.00 0.00 O ATOM 167 CB PRO A 10 25.222 7.994 -7.135 1.00 0.00 C ATOM 168 CG PRO A 10 24.842 6.736 -7.838 1.00 0.00 C ATOM 169 CD PRO A 10 25.561 5.627 -7.122 1.00 0.00 C ATOM 0 HA PRO A 10 26.171 8.147 -5.147 1.00 0.00 H new ATOM 0 HB2 PRO A 10 24.449 8.756 -7.240 1.00 0.00 H new ATOM 0 HB3 PRO A 10 26.141 8.414 -7.544 1.00 0.00 H new ATOM 0 HG2 PRO A 10 23.763 6.584 -7.809 1.00 0.00 H new ATOM 0 HG3 PRO A 10 25.131 6.774 -8.888 1.00 0.00 H new ATOM 0 HD2 PRO A 10 24.982 4.704 -7.126 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.521 5.403 -7.588 1.00 0.00 H new ATOM 177 N LEU A 11 23.350 6.774 -4.661 1.00 0.00 N ATOM 178 CA LEU A 11 22.097 6.880 -3.922 1.00 0.00 C ATOM 179 C LEU A 11 22.263 6.375 -2.492 1.00 0.00 C ATOM 180 O LEU A 11 21.364 6.520 -1.663 1.00 0.00 O ATOM 181 CB LEU A 11 20.996 6.089 -4.630 1.00 0.00 C ATOM 182 CG LEU A 11 20.339 6.777 -5.827 1.00 0.00 C ATOM 183 CD1 LEU A 11 19.013 6.112 -6.163 1.00 0.00 C ATOM 184 CD2 LEU A 11 20.139 8.259 -5.547 1.00 0.00 C ATOM 0 H LEU A 11 23.573 5.831 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 11 21.814 7.932 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.416 5.141 -4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.220 5.853 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 11 21.001 6.677 -6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.560 6.615 -7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 11 19.183 5.064 -6.408 1.00 0.00 H new ATOM 0 HD13 LEU A 11 18.344 6.180 -5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.670 8.732 -6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.498 8.381 -4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 11 21.105 8.727 -5.357 1.00 0.00 H new ATOM 196 N LEU A 12 23.419 5.783 -2.211 1.00 0.00 N ATOM 197 CA LEU A 12 23.705 5.257 -0.880 1.00 0.00 C ATOM 198 C LEU A 12 24.074 6.382 0.082 1.00 0.00 C ATOM 199 O LEU A 12 23.472 6.527 1.146 1.00 0.00 O ATOM 200 CB LEU A 12 24.840 4.235 -0.947 1.00 0.00 C ATOM 201 CG LEU A 12 24.626 2.942 -0.160 1.00 0.00 C ATOM 202 CD1 LEU A 12 25.958 2.368 0.297 1.00 0.00 C ATOM 203 CD2 LEU A 12 23.713 3.188 1.033 1.00 0.00 C ATOM 0 H LEU A 12 24.173 5.655 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 12 22.805 4.767 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.008 3.977 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.752 4.710 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 12 24.146 2.216 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.785 1.448 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 12 26.579 2.153 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.465 3.091 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.572 2.257 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.165 3.931 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.747 3.553 0.683 1.00 0.00 H new ATOM 215 N LYS A 13 25.067 7.178 -0.301 1.00 0.00 N ATOM 216 CA LYS A 13 25.516 8.293 0.525 1.00 0.00 C ATOM 217 C LYS A 13 24.340 9.175 0.933 1.00 0.00 C ATOM 218 O LYS A 13 24.333 9.750 2.022 1.00 0.00 O ATOM 219 CB LYS A 13 26.555 9.127 -0.229 1.00 0.00 C ATOM 220 CG LYS A 13 25.949 10.083 -1.241 1.00 0.00 C ATOM 221 CD LYS A 13 25.827 11.489 -0.677 1.00 0.00 C ATOM 222 CE LYS A 13 26.706 12.472 -1.435 1.00 0.00 C ATOM 223 NZ LYS A 13 25.924 13.273 -2.417 1.00 0.00 N ATOM 0 H LYS A 13 25.576 7.072 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 13 25.972 7.885 1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.142 9.697 0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.244 8.456 -0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 13 26.566 10.103 -2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 13 24.964 9.723 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 13 24.788 11.814 -0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 13 26.108 11.485 0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.195 13.142 -0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 13 27.494 11.928 -1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 26.559 13.931 -2.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 25.478 12.636 -3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 25.188 13.812 -1.918 1.00 0.00 H new ATOM 237 N ILE A 14 23.349 9.277 0.054 1.00 0.00 N ATOM 238 CA ILE A 14 22.168 10.087 0.326 1.00 0.00 C ATOM 239 C ILE A 14 21.461 9.620 1.594 1.00 0.00 C ATOM 240 O ILE A 14 21.226 10.407 2.513 1.00 0.00 O ATOM 241 CB ILE A 14 21.173 10.042 -0.848 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.891 10.343 -2.166 1.00 0.00 C ATOM 243 CG2 ILE A 14 20.039 11.031 -0.620 1.00 0.00 C ATOM 244 CD1 ILE A 14 20.971 10.851 -3.253 1.00 0.00 C ATOM 0 H ILE A 14 23.340 8.809 -0.852 1.00 0.00 H new ATOM 0 HA ILE A 14 22.513 11.112 0.461 1.00 0.00 H new ATOM 0 HB ILE A 14 20.749 9.039 -0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.670 11.084 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.387 9.437 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 14 19.344 10.987 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.514 10.776 0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.446 12.039 -0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.548 11.043 -4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.207 10.102 -3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 14 20.494 11.774 -2.924 1.00 0.00 H new ATOM 256 N LEU A 15 21.126 8.336 1.640 1.00 0.00 N ATOM 257 CA LEU A 15 20.447 7.762 2.797 1.00 0.00 C ATOM 258 C LEU A 15 21.389 7.677 3.993 1.00 0.00 C ATOM 259 O LEU A 15 20.981 7.894 5.135 1.00 0.00 O ATOM 260 CB LEU A 15 19.906 6.372 2.459 1.00 0.00 C ATOM 261 CG LEU A 15 19.149 6.250 1.136 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.395 4.931 1.072 1.00 0.00 C ATOM 263 CD2 LEU A 15 18.195 7.421 0.957 1.00 0.00 C ATOM 0 H LEU A 15 21.313 7.672 0.889 1.00 0.00 H new ATOM 0 HA LEU A 15 19.614 8.414 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.742 5.673 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.243 6.056 3.264 1.00 0.00 H new ATOM 0 HG LEU A 15 19.874 6.270 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.862 4.862 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.101 4.104 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.681 4.880 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.665 7.317 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 15 17.476 7.433 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.760 8.353 0.956 1.00 0.00 H new ATOM 275 N HIS A 16 22.652 7.361 3.724 1.00 0.00 N ATOM 276 CA HIS A 16 23.654 7.250 4.779 1.00 0.00 C ATOM 277 C HIS A 16 23.779 8.561 5.550 1.00 0.00 C ATOM 278 O HIS A 16 23.748 8.574 6.780 1.00 0.00 O ATOM 279 CB HIS A 16 25.008 6.862 4.186 1.00 0.00 C ATOM 280 CG HIS A 16 25.183 5.385 4.008 1.00 0.00 C ATOM 281 ND1 HIS A 16 26.412 4.761 4.060 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.276 4.408 3.778 1.00 0.00 C ATOM 283 CE1 HIS A 16 26.253 3.464 3.869 1.00 0.00 C ATOM 284 NE2 HIS A 16 24.966 3.223 3.695 1.00 0.00 N ATOM 0 H HIS A 16 23.006 7.177 2.785 1.00 0.00 H new ATOM 0 HA HIS A 16 23.333 6.472 5.471 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.126 7.353 3.220 1.00 0.00 H new ATOM 0 HB3 HIS A 16 25.800 7.238 4.833 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.304 5.228 4.221 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.208 4.536 3.678 1.00 0.00 H new ATOM 0 HE1 HIS A 16 27.041 2.726 3.857 1.00 0.00 H new ATOM 292 N ALA A 17 23.921 9.661 4.818 1.00 0.00 N ATOM 293 CA ALA A 17 24.050 10.976 5.432 1.00 0.00 C ATOM 294 C ALA A 17 22.813 11.321 6.255 1.00 0.00 C ATOM 295 O ALA A 17 22.825 12.265 7.045 1.00 0.00 O ATOM 296 CB ALA A 17 24.289 12.036 4.367 1.00 0.00 C ATOM 0 H ALA A 17 23.950 9.667 3.798 1.00 0.00 H new ATOM 0 HA ALA A 17 24.908 10.953 6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.383 13.013 4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.206 11.806 3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.449 12.049 3.672 1.00 0.00 H new ATOM 302 N ALA A 18 21.747 10.551 6.064 1.00 0.00 N ATOM 303 CA ALA A 18 20.503 10.774 6.790 1.00 0.00 C ATOM 304 C ALA A 18 20.384 9.828 7.980 1.00 0.00 C ATOM 305 O ALA A 18 19.297 9.630 8.521 1.00 0.00 O ATOM 306 CB ALA A 18 19.311 10.607 5.859 1.00 0.00 C ATOM 0 H ALA A 18 21.720 9.767 5.412 1.00 0.00 H new ATOM 0 HA ALA A 18 20.512 11.795 7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.389 10.776 6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.382 11.328 5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.308 9.597 5.450 1.00 0.00 H new ATOM 312 N GLY A 19 21.509 9.245 8.382 1.00 0.00 N ATOM 313 CA GLY A 19 21.509 8.325 9.504 1.00 0.00 C ATOM 314 C GLY A 19 21.256 6.892 9.080 1.00 0.00 C ATOM 315 O GLY A 19 21.058 6.015 9.920 1.00 0.00 O ATOM 0 H GLY A 19 22.421 9.394 7.950 1.00 0.00 H new ATOM 0 HA2 GLY A 19 22.468 8.384 10.018 1.00 0.00 H new ATOM 0 HA3 GLY A 19 20.745 8.629 10.219 1.00 0.00 H new ATOM 319 N ALA A 20 21.261 6.654 7.773 1.00 0.00 N ATOM 320 CA ALA A 20 21.031 5.318 7.239 1.00 0.00 C ATOM 321 C ALA A 20 22.345 4.568 7.051 1.00 0.00 C ATOM 322 O ALA A 20 23.423 5.140 7.205 1.00 0.00 O ATOM 323 CB ALA A 20 20.274 5.399 5.921 1.00 0.00 C ATOM 0 H ALA A 20 21.422 7.370 7.064 1.00 0.00 H new ATOM 0 HA ALA A 20 20.427 4.765 7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.109 4.394 5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.313 5.888 6.083 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.857 5.974 5.201 1.00 0.00 H new ATOM 329 N GLN A 21 22.247 3.285 6.719 1.00 0.00 N ATOM 330 CA GLN A 21 23.429 2.457 6.512 1.00 0.00 C ATOM 331 C GLN A 21 23.045 1.085 5.966 1.00 0.00 C ATOM 332 O GLN A 21 22.131 0.438 6.475 1.00 0.00 O ATOM 333 CB GLN A 21 24.203 2.299 7.822 1.00 0.00 C ATOM 334 CG GLN A 21 25.712 2.366 7.649 1.00 0.00 C ATOM 335 CD GLN A 21 26.284 3.715 8.036 1.00 0.00 C ATOM 336 OE1 GLN A 21 27.076 3.821 8.973 1.00 0.00 O ATOM 337 NE2 GLN A 21 25.887 4.757 7.314 1.00 0.00 N ATOM 0 H GLN A 21 21.361 2.796 6.588 1.00 0.00 H new ATOM 0 HA GLN A 21 24.065 2.954 5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 21 23.890 3.080 8.516 1.00 0.00 H new ATOM 0 HB3 GLN A 21 23.940 1.344 8.277 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.178 1.590 8.256 1.00 0.00 H new ATOM 0 HG3 GLN A 21 25.965 2.153 6.610 1.00 0.00 H new ATOM 0 HE21 GLN A 21 25.229 4.624 6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 21 26.240 5.690 7.528 1.00 0.00 H new ATOM 346 N GLY A 22 23.749 0.649 4.926 1.00 0.00 N ATOM 347 CA GLY A 22 23.466 -0.643 4.329 1.00 0.00 C ATOM 348 C GLY A 22 23.354 -0.571 2.819 1.00 0.00 C ATOM 349 O GLY A 22 23.961 0.292 2.186 1.00 0.00 O ATOM 0 H GLY A 22 24.510 1.167 4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.255 -1.345 4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.536 -1.035 4.741 1.00 0.00 H new ATOM 353 N GLU A 23 22.577 -1.482 2.240 1.00 0.00 N ATOM 354 CA GLU A 23 22.391 -1.519 0.795 1.00 0.00 C ATOM 355 C GLU A 23 20.963 -1.925 0.440 1.00 0.00 C ATOM 356 O GLU A 23 20.671 -2.272 -0.704 1.00 0.00 O ATOM 357 CB GLU A 23 23.383 -2.492 0.155 1.00 0.00 C ATOM 358 CG GLU A 23 24.833 -2.199 0.502 1.00 0.00 C ATOM 359 CD GLU A 23 25.762 -3.341 0.138 1.00 0.00 C ATOM 360 OE1 GLU A 23 25.295 -4.303 -0.506 1.00 0.00 O ATOM 361 OE2 GLU A 23 26.956 -3.272 0.497 1.00 0.00 O ATOM 0 H GLU A 23 22.067 -2.203 2.750 1.00 0.00 H new ATOM 0 HA GLU A 23 22.573 -0.517 0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.140 -3.506 0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.264 -2.459 -0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 23 25.152 -1.296 -0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.913 -1.996 1.570 1.00 0.00 H new ATOM 368 N MET A 24 20.078 -1.879 1.431 1.00 0.00 N ATOM 369 CA MET A 24 18.681 -2.241 1.224 1.00 0.00 C ATOM 370 C MET A 24 17.767 -1.424 2.132 1.00 0.00 C ATOM 371 O MET A 24 18.071 -1.212 3.306 1.00 0.00 O ATOM 372 CB MET A 24 18.475 -3.734 1.484 1.00 0.00 C ATOM 373 CG MET A 24 19.544 -4.613 0.856 1.00 0.00 C ATOM 374 SD MET A 24 19.372 -4.745 -0.934 1.00 0.00 S ATOM 375 CE MET A 24 21.064 -5.083 -1.414 1.00 0.00 C ATOM 0 H MET A 24 20.304 -1.595 2.384 1.00 0.00 H new ATOM 0 HA MET A 24 18.425 -2.021 0.188 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.459 -3.908 2.560 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.500 -4.030 1.098 1.00 0.00 H new ATOM 0 HG2 MET A 24 20.528 -4.208 1.094 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.495 -5.609 1.296 1.00 0.00 H new ATOM 0 HE1 MET A 24 21.416 -4.298 -2.083 1.00 0.00 H new ATOM 0 HE2 MET A 24 21.695 -5.113 -0.526 1.00 0.00 H new ATOM 0 HE3 MET A 24 21.112 -6.044 -1.925 1.00 0.00 H new ATOM 385 N PHE A 25 16.648 -0.967 1.581 1.00 0.00 N ATOM 386 CA PHE A 25 15.691 -0.172 2.342 1.00 0.00 C ATOM 387 C PHE A 25 14.329 -0.154 1.653 1.00 0.00 C ATOM 388 O PHE A 25 14.237 -0.264 0.430 1.00 0.00 O ATOM 389 CB PHE A 25 16.206 1.259 2.514 1.00 0.00 C ATOM 390 CG PHE A 25 17.600 1.331 3.069 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.697 1.337 2.223 1.00 0.00 C ATOM 392 CD2 PHE A 25 17.812 1.393 4.437 1.00 0.00 C ATOM 393 CE1 PHE A 25 19.981 1.402 2.732 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.093 1.459 4.951 1.00 0.00 C ATOM 395 CZ PHE A 25 20.179 1.465 4.098 1.00 0.00 C ATOM 0 H PHE A 25 16.381 -1.133 0.611 1.00 0.00 H new ATOM 0 HA PHE A 25 15.576 -0.630 3.324 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.181 1.764 1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.531 1.803 3.176 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.548 1.290 1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.967 1.390 5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 25 20.828 1.404 2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.245 1.506 6.019 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.181 1.519 4.498 1.00 0.00 H new ATOM 405 N THR A 26 13.272 -0.017 2.448 1.00 0.00 N ATOM 406 CA THR A 26 11.915 0.013 1.917 1.00 0.00 C ATOM 407 C THR A 26 11.470 1.442 1.627 1.00 0.00 C ATOM 408 O THR A 26 12.235 2.390 1.804 1.00 0.00 O ATOM 409 CB THR A 26 10.916 -0.637 2.892 1.00 0.00 C ATOM 410 OG1 THR A 26 11.573 -0.965 4.121 1.00 0.00 O ATOM 411 CG2 THR A 26 10.307 -1.892 2.286 1.00 0.00 C ATOM 0 H THR A 26 13.330 0.075 3.462 1.00 0.00 H new ATOM 0 HA THR A 26 11.926 -0.556 0.988 1.00 0.00 H new ATOM 0 HB THR A 26 10.117 0.078 3.088 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.930 -1.376 4.736 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.605 -2.334 2.993 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.782 -1.634 1.366 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.097 -2.609 2.064 1.00 0.00 H new ATOM 419 N VAL A 27 10.226 1.590 1.182 1.00 0.00 N ATOM 420 CA VAL A 27 9.677 2.905 0.870 1.00 0.00 C ATOM 421 C VAL A 27 9.741 3.828 2.081 1.00 0.00 C ATOM 422 O VAL A 27 10.071 5.008 1.959 1.00 0.00 O ATOM 423 CB VAL A 27 8.217 2.804 0.391 1.00 0.00 C ATOM 424 CG1 VAL A 27 7.834 4.034 -0.419 1.00 0.00 C ATOM 425 CG2 VAL A 27 8.010 1.535 -0.422 1.00 0.00 C ATOM 0 H VAL A 27 9.579 0.816 1.029 1.00 0.00 H new ATOM 0 HA VAL A 27 10.286 3.321 0.068 1.00 0.00 H new ATOM 0 HB VAL A 27 7.568 2.758 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.799 3.945 -0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.942 4.925 0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.486 4.115 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.973 1.480 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.668 1.548 -1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.241 0.666 0.194 1.00 0.00 H new ATOM 435 N LYS A 28 9.424 3.284 3.251 1.00 0.00 N ATOM 436 CA LYS A 28 9.446 4.058 4.486 1.00 0.00 C ATOM 437 C LYS A 28 10.879 4.350 4.919 1.00 0.00 C ATOM 438 O LYS A 28 11.226 5.494 5.214 1.00 0.00 O ATOM 439 CB LYS A 28 8.711 3.304 5.597 1.00 0.00 C ATOM 440 CG LYS A 28 7.233 3.646 5.689 1.00 0.00 C ATOM 441 CD LYS A 28 6.362 2.454 5.329 1.00 0.00 C ATOM 442 CE LYS A 28 6.757 1.216 6.119 1.00 0.00 C ATOM 443 NZ LYS A 28 5.569 0.421 6.535 1.00 0.00 N ATOM 0 H LYS A 28 9.149 2.309 3.370 1.00 0.00 H new ATOM 0 HA LYS A 28 8.940 5.006 4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.818 2.232 5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.187 3.526 6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.998 3.978 6.700 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.008 4.477 5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.317 2.694 5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.448 2.249 4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.416 0.594 5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.322 1.514 7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.880 -0.414 7.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.952 1.006 7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.043 0.115 5.691 1.00 0.00 H new ATOM 457 N GLU A 29 11.707 3.311 4.953 1.00 0.00 N ATOM 458 CA GLU A 29 13.102 3.458 5.349 1.00 0.00 C ATOM 459 C GLU A 29 13.830 4.431 4.426 1.00 0.00 C ATOM 460 O GLU A 29 14.722 5.162 4.855 1.00 0.00 O ATOM 461 CB GLU A 29 13.806 2.100 5.334 1.00 0.00 C ATOM 462 CG GLU A 29 13.123 1.050 6.194 1.00 0.00 C ATOM 463 CD GLU A 29 12.232 1.659 7.259 1.00 0.00 C ATOM 464 OE1 GLU A 29 12.771 2.290 8.193 1.00 0.00 O ATOM 465 OE2 GLU A 29 10.997 1.504 7.160 1.00 0.00 O ATOM 0 H GLU A 29 11.436 2.358 4.711 1.00 0.00 H new ATOM 0 HA GLU A 29 13.125 3.859 6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.858 1.739 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.832 2.228 5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.527 0.396 5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.880 0.428 6.671 1.00 0.00 H new ATOM 472 N VAL A 30 13.442 4.434 3.154 1.00 0.00 N ATOM 473 CA VAL A 30 14.056 5.316 2.169 1.00 0.00 C ATOM 474 C VAL A 30 13.571 6.751 2.339 1.00 0.00 C ATOM 475 O VAL A 30 14.369 7.687 2.370 1.00 0.00 O ATOM 476 CB VAL A 30 13.753 4.850 0.733 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.312 5.840 -0.278 1.00 0.00 C ATOM 478 CG2 VAL A 30 14.316 3.457 0.495 1.00 0.00 C ATOM 0 H VAL A 30 12.705 3.835 2.782 1.00 0.00 H new ATOM 0 HA VAL A 30 15.132 5.277 2.336 1.00 0.00 H new ATOM 0 HB VAL A 30 12.672 4.806 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.089 5.495 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.857 6.818 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.392 5.918 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.093 3.144 -0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.396 3.471 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.863 2.757 1.197 1.00 0.00 H new ATOM 488 N MET A 31 12.257 6.917 2.450 1.00 0.00 N ATOM 489 CA MET A 31 11.665 8.239 2.619 1.00 0.00 C ATOM 490 C MET A 31 12.113 8.871 3.933 1.00 0.00 C ATOM 491 O MET A 31 12.415 10.064 3.988 1.00 0.00 O ATOM 492 CB MET A 31 10.138 8.147 2.578 1.00 0.00 C ATOM 493 CG MET A 31 9.460 8.761 3.792 1.00 0.00 C ATOM 494 SD MET A 31 9.658 10.552 3.866 1.00 0.00 S ATOM 495 CE MET A 31 9.535 10.978 2.131 1.00 0.00 C ATOM 0 H MET A 31 11.582 6.153 2.426 1.00 0.00 H new ATOM 0 HA MET A 31 12.006 8.870 1.798 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.776 8.646 1.679 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.847 7.099 2.501 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.398 8.517 3.772 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.872 8.316 4.698 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.353 12.048 2.031 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.466 10.719 1.626 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.711 10.426 1.678 1.00 0.00 H new ATOM 505 N HIS A 32 12.154 8.065 4.989 1.00 0.00 N ATOM 506 CA HIS A 32 12.566 8.547 6.303 1.00 0.00 C ATOM 507 C HIS A 32 13.944 9.197 6.235 1.00 0.00 C ATOM 508 O HIS A 32 14.251 10.107 7.006 1.00 0.00 O ATOM 509 CB HIS A 32 12.581 7.396 7.309 1.00 0.00 C ATOM 510 CG HIS A 32 12.285 7.825 8.713 1.00 0.00 C ATOM 511 ND1 HIS A 32 11.250 7.300 9.458 1.00 0.00 N ATOM 512 CD2 HIS A 32 12.895 8.733 9.509 1.00 0.00 C ATOM 513 CE1 HIS A 32 11.236 7.868 10.650 1.00 0.00 C ATOM 514 NE2 HIS A 32 12.225 8.741 10.707 1.00 0.00 N ATOM 0 H HIS A 32 11.907 7.076 4.961 1.00 0.00 H new ATOM 0 HA HIS A 32 11.846 9.297 6.631 1.00 0.00 H new ATOM 0 HB2 HIS A 32 11.849 6.648 7.004 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.558 6.914 7.283 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.750 9.339 9.250 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.535 7.655 11.443 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.454 9.326 11.511 1.00 0.00 H new ATOM 522 N TYR A 33 14.771 8.725 5.309 1.00 0.00 N ATOM 523 CA TYR A 33 16.118 9.259 5.143 1.00 0.00 C ATOM 524 C TYR A 33 16.083 10.627 4.470 1.00 0.00 C ATOM 525 O TYR A 33 16.895 11.502 4.772 1.00 0.00 O ATOM 526 CB TYR A 33 16.973 8.294 4.319 1.00 0.00 C ATOM 527 CG TYR A 33 17.125 6.929 4.951 1.00 0.00 C ATOM 528 CD1 TYR A 33 17.296 6.792 6.323 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.099 5.776 4.175 1.00 0.00 C ATOM 530 CE1 TYR A 33 17.435 5.546 6.904 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.237 4.527 4.748 1.00 0.00 C ATOM 532 CZ TYR A 33 17.405 4.417 6.113 1.00 0.00 C ATOM 533 OH TYR A 33 17.544 3.174 6.687 1.00 0.00 O ATOM 0 H TYR A 33 14.532 7.974 4.662 1.00 0.00 H new ATOM 0 HA TYR A 33 16.561 9.373 6.132 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.527 8.180 3.331 1.00 0.00 H new ATOM 0 HB3 TYR A 33 17.961 8.730 4.174 1.00 0.00 H new ATOM 0 HD1 TYR A 33 17.321 7.674 6.946 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.969 5.858 3.106 1.00 0.00 H new ATOM 0 HE1 TYR A 33 17.566 5.457 7.972 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.214 3.641 4.131 1.00 0.00 H new ATOM 0 HH TYR A 33 17.983 2.568 6.054 1.00 0.00 H new ATOM 543 N LEU A 34 15.136 10.805 3.556 1.00 0.00 N ATOM 544 CA LEU A 34 14.992 12.067 2.838 1.00 0.00 C ATOM 545 C LEU A 34 14.960 13.244 3.808 1.00 0.00 C ATOM 546 O LEU A 34 15.755 14.176 3.696 1.00 0.00 O ATOM 547 CB LEU A 34 13.718 12.054 1.992 1.00 0.00 C ATOM 548 CG LEU A 34 13.918 12.083 0.477 1.00 0.00 C ATOM 549 CD1 LEU A 34 14.736 13.298 0.070 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.589 10.802 0.003 1.00 0.00 C ATOM 0 H LEU A 34 14.456 10.091 3.294 1.00 0.00 H new ATOM 0 HA LEU A 34 15.854 12.183 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.146 11.161 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.109 12.913 2.274 1.00 0.00 H new ATOM 0 HG LEU A 34 12.940 12.154 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 34 14.868 13.302 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.216 14.206 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.712 13.259 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.723 10.840 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.561 10.700 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.964 9.947 0.261 1.00 0.00 H new ATOM 562 N GLY A 35 14.035 13.193 4.762 1.00 0.00 N ATOM 563 CA GLY A 35 13.918 14.260 5.739 1.00 0.00 C ATOM 564 C GLY A 35 15.226 14.539 6.452 1.00 0.00 C ATOM 565 O GLY A 35 15.639 15.692 6.574 1.00 0.00 O ATOM 0 H GLY A 35 13.365 12.432 4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.578 15.168 5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.157 13.995 6.473 1.00 0.00 H new ATOM 569 N GLN A 36 15.878 13.482 6.926 1.00 0.00 N ATOM 570 CA GLN A 36 17.145 13.621 7.632 1.00 0.00 C ATOM 571 C GLN A 36 18.204 14.252 6.734 1.00 0.00 C ATOM 572 O GLN A 36 18.933 15.151 7.153 1.00 0.00 O ATOM 573 CB GLN A 36 17.628 12.257 8.129 1.00 0.00 C ATOM 574 CG GLN A 36 16.790 11.691 9.263 1.00 0.00 C ATOM 575 CD GLN A 36 17.617 11.358 10.490 1.00 0.00 C ATOM 576 OE1 GLN A 36 17.786 10.190 10.842 1.00 0.00 O ATOM 577 NE2 GLN A 36 18.138 12.387 11.149 1.00 0.00 N ATOM 0 H GLN A 36 15.549 12.521 6.834 1.00 0.00 H new ATOM 0 HA GLN A 36 16.984 14.276 8.488 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.621 11.553 7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.662 12.346 8.462 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.018 12.412 9.534 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.279 10.792 8.919 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.972 13.339 10.822 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.704 12.225 11.982 1.00 0.00 H new ATOM 586 N TYR A 37 18.282 13.775 5.496 1.00 0.00 N ATOM 587 CA TYR A 37 19.254 14.291 4.539 1.00 0.00 C ATOM 588 C TYR A 37 19.088 15.796 4.352 1.00 0.00 C ATOM 589 O TYR A 37 20.056 16.553 4.430 1.00 0.00 O ATOM 590 CB TYR A 37 19.102 13.580 3.194 1.00 0.00 C ATOM 591 CG TYR A 37 20.051 14.086 2.131 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.389 13.712 2.131 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.609 14.937 1.126 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.260 14.172 1.162 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.473 15.401 0.152 1.00 0.00 C ATOM 596 CZ TYR A 37 21.797 15.017 0.175 1.00 0.00 C ATOM 597 OH TYR A 37 22.661 15.476 -0.792 1.00 0.00 O ATOM 0 H TYR A 37 17.684 13.033 5.132 1.00 0.00 H new ATOM 0 HA TYR A 37 20.252 14.100 4.934 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.266 12.512 3.337 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.078 13.701 2.842 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.755 13.050 2.902 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.573 15.241 1.105 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.297 13.872 1.177 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.113 16.061 -0.623 1.00 0.00 H new ATOM 0 HH TYR A 37 23.585 15.315 -0.508 1.00 0.00 H new ATOM 607 N ILE A 38 17.854 16.223 4.106 1.00 0.00 N ATOM 608 CA ILE A 38 17.560 17.637 3.910 1.00 0.00 C ATOM 609 C ILE A 38 17.967 18.457 5.129 1.00 0.00 C ATOM 610 O ILE A 38 18.633 19.484 5.005 1.00 0.00 O ATOM 611 CB ILE A 38 16.064 17.867 3.626 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.619 17.042 2.417 1.00 0.00 C ATOM 613 CG2 ILE A 38 15.790 19.346 3.395 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.118 16.995 2.236 1.00 0.00 C ATOM 0 H ILE A 38 17.042 15.610 4.038 1.00 0.00 H new ATOM 0 HA ILE A 38 18.139 17.963 3.046 1.00 0.00 H new ATOM 0 HB ILE A 38 15.490 17.542 4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.072 17.458 1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 38 15.996 16.025 2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.728 19.493 3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 38 16.074 19.912 4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.371 19.695 2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.876 16.393 1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.659 16.551 3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.736 18.007 2.098 1.00 0.00 H new ATOM 626 N MET A 39 17.562 17.996 6.308 1.00 0.00 N ATOM 627 CA MET A 39 17.887 18.685 7.551 1.00 0.00 C ATOM 628 C MET A 39 19.392 18.680 7.798 1.00 0.00 C ATOM 629 O MET A 39 19.951 19.650 8.311 1.00 0.00 O ATOM 630 CB MET A 39 17.163 18.028 8.728 1.00 0.00 C ATOM 631 CG MET A 39 18.101 17.378 9.732 1.00 0.00 C ATOM 632 SD MET A 39 17.245 16.800 11.210 1.00 0.00 S ATOM 633 CE MET A 39 16.274 18.247 11.626 1.00 0.00 C ATOM 0 H MET A 39 17.008 17.148 6.428 1.00 0.00 H new ATOM 0 HA MET A 39 17.555 19.719 7.461 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.561 18.780 9.239 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.475 17.274 8.346 1.00 0.00 H new ATOM 0 HG2 MET A 39 18.608 16.537 9.258 1.00 0.00 H new ATOM 0 HG3 MET A 39 18.871 18.094 10.020 1.00 0.00 H new ATOM 0 HE1 MET A 39 16.019 18.222 12.686 1.00 0.00 H new ATOM 0 HE2 MET A 39 16.852 19.146 11.413 1.00 0.00 H new ATOM 0 HE3 MET A 39 15.359 18.254 11.033 1.00 0.00 H new ATOM 643 N VAL A 40 20.044 17.582 7.430 1.00 0.00 N ATOM 644 CA VAL A 40 21.485 17.451 7.611 1.00 0.00 C ATOM 645 C VAL A 40 22.241 18.449 6.741 1.00 0.00 C ATOM 646 O VAL A 40 23.254 19.011 7.158 1.00 0.00 O ATOM 647 CB VAL A 40 21.966 16.027 7.276 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.728 16.016 5.960 1.00 0.00 C ATOM 649 CG2 VAL A 40 22.826 15.476 8.404 1.00 0.00 C ATOM 0 H VAL A 40 19.597 16.770 7.004 1.00 0.00 H new ATOM 0 HA VAL A 40 21.692 17.658 8.661 1.00 0.00 H new ATOM 0 HB VAL A 40 21.093 15.384 7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.060 15.001 5.740 1.00 0.00 H new ATOM 0 HG12 VAL A 40 22.076 16.366 5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.595 16.673 6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.157 14.469 8.150 1.00 0.00 H new ATOM 0 HG22 VAL A 40 23.695 16.119 8.546 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.243 15.445 9.324 1.00 0.00 H new ATOM 659 N LYS A 41 21.742 18.665 5.529 1.00 0.00 N ATOM 660 CA LYS A 41 22.368 19.596 4.598 1.00 0.00 C ATOM 661 C LYS A 41 21.833 21.010 4.801 1.00 0.00 C ATOM 662 O LYS A 41 22.428 21.981 4.333 1.00 0.00 O ATOM 663 CB LYS A 41 22.123 19.150 3.155 1.00 0.00 C ATOM 664 CG LYS A 41 23.142 18.143 2.649 1.00 0.00 C ATOM 665 CD LYS A 41 24.560 18.677 2.767 1.00 0.00 C ATOM 666 CE LYS A 41 24.631 20.153 2.408 1.00 0.00 C ATOM 667 NZ LYS A 41 26.025 20.584 2.108 1.00 0.00 N ATOM 0 H LYS A 41 20.905 18.207 5.168 1.00 0.00 H new ATOM 0 HA LYS A 41 23.440 19.600 4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.127 18.714 3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.136 20.025 2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.053 17.217 3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.929 17.900 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.921 18.531 3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 41 25.219 18.110 2.110 1.00 0.00 H new ATOM 0 HE2 LYS A 41 23.997 20.347 1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 41 24.237 20.747 3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 26.031 21.596 1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 26.625 20.422 2.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 26.393 20.035 1.305 1.00 0.00 H new ATOM 681 N GLN A 42 20.710 21.118 5.503 1.00 0.00 N ATOM 682 CA GLN A 42 20.097 22.414 5.768 1.00 0.00 C ATOM 683 C GLN A 42 19.620 23.066 4.475 1.00 0.00 C ATOM 684 O GLN A 42 20.164 24.084 4.043 1.00 0.00 O ATOM 685 CB GLN A 42 21.088 23.334 6.482 1.00 0.00 C ATOM 686 CG GLN A 42 20.891 23.390 7.989 1.00 0.00 C ATOM 687 CD GLN A 42 21.909 22.557 8.741 1.00 0.00 C ATOM 688 OE1 GLN A 42 22.282 21.417 8.170 1.00 0.00 O flip ATOM 689 NE2 GLN A 42 22.357 22.933 9.825 1.00 0.00 N flip ATOM 0 H GLN A 42 20.206 20.324 5.898 1.00 0.00 H new ATOM 0 HA GLN A 42 19.232 22.253 6.412 1.00 0.00 H new ATOM 0 HB2 GLN A 42 22.102 22.996 6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 42 20.995 24.341 6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 42 20.957 24.426 8.322 1.00 0.00 H new ATOM 0 HG3 GLN A 42 19.888 23.040 8.234 1.00 0.00 H new ATOM 0 HE21 GLN A 42 22.043 23.816 10.228 1.00 0.00 H new ATOM 0 HE22 GLN A 42 23.042 22.361 10.320 1.00 0.00 H new ATOM 698 N LEU A 43 18.603 22.473 3.859 1.00 0.00 N ATOM 699 CA LEU A 43 18.053 22.996 2.613 1.00 0.00 C ATOM 700 C LEU A 43 16.542 23.180 2.720 1.00 0.00 C ATOM 701 O LEU A 43 15.775 22.499 2.039 1.00 0.00 O ATOM 702 CB LEU A 43 18.384 22.056 1.453 1.00 0.00 C ATOM 703 CG LEU A 43 19.868 21.889 1.126 1.00 0.00 C ATOM 704 CD1 LEU A 43 20.153 20.475 0.644 1.00 0.00 C ATOM 705 CD2 LEU A 43 20.302 22.908 0.083 1.00 0.00 C ATOM 0 H LEU A 43 18.143 21.630 4.202 1.00 0.00 H new ATOM 0 HA LEU A 43 18.506 23.969 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 43 17.970 21.073 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.875 22.420 0.561 1.00 0.00 H new ATOM 0 HG LEU A 43 20.443 22.063 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 43 21.214 20.375 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 43 19.881 19.763 1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 43 19.569 20.272 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 43 21.361 22.774 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.721 22.766 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 43 20.135 23.915 0.466 1.00 0.00 H new ATOM 717 N TYR A 44 16.123 24.104 3.576 1.00 0.00 N ATOM 718 CA TYR A 44 14.704 24.378 3.772 1.00 0.00 C ATOM 719 C TYR A 44 14.500 25.702 4.501 1.00 0.00 C ATOM 720 O TYR A 44 15.450 26.295 5.013 1.00 0.00 O ATOM 721 CB TYR A 44 14.049 23.242 4.560 1.00 0.00 C ATOM 722 CG TYR A 44 14.549 23.125 5.982 1.00 0.00 C ATOM 723 CD1 TYR A 44 13.943 23.832 7.013 1.00 0.00 C ATOM 724 CD2 TYR A 44 15.627 22.306 6.294 1.00 0.00 C ATOM 725 CE1 TYR A 44 14.398 23.728 8.314 1.00 0.00 C ATOM 726 CE2 TYR A 44 16.087 22.194 7.592 1.00 0.00 C ATOM 727 CZ TYR A 44 15.470 22.908 8.598 1.00 0.00 C ATOM 728 OH TYR A 44 15.925 22.801 9.892 1.00 0.00 O ATOM 0 H TYR A 44 16.746 24.677 4.146 1.00 0.00 H new ATOM 0 HA TYR A 44 14.234 24.449 2.791 1.00 0.00 H new ATOM 0 HB2 TYR A 44 12.970 23.396 4.575 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.229 22.300 4.042 1.00 0.00 H new ATOM 0 HD1 TYR A 44 13.102 24.474 6.794 1.00 0.00 H new ATOM 0 HD2 TYR A 44 16.114 21.747 5.508 1.00 0.00 H new ATOM 0 HE1 TYR A 44 13.917 24.286 9.104 1.00 0.00 H new ATOM 0 HE2 TYR A 44 16.925 21.551 7.818 1.00 0.00 H new ATOM 0 HH TYR A 44 16.291 23.662 10.182 1.00 0.00 H new ATOM 738 N ASP A 45 13.254 26.160 4.544 1.00 0.00 N ATOM 739 CA ASP A 45 12.922 27.413 5.212 1.00 0.00 C ATOM 740 C ASP A 45 12.834 27.218 6.722 1.00 0.00 C ATOM 741 O ASP A 45 11.966 26.497 7.214 1.00 0.00 O ATOM 742 CB ASP A 45 11.599 27.965 4.679 1.00 0.00 C ATOM 743 CG ASP A 45 11.715 29.406 4.222 1.00 0.00 C ATOM 744 OD1 ASP A 45 12.841 29.835 3.894 1.00 0.00 O ATOM 745 OD2 ASP A 45 10.681 30.105 4.193 1.00 0.00 O ATOM 0 H ASP A 45 12.457 25.682 4.124 1.00 0.00 H new ATOM 0 HA ASP A 45 13.717 28.129 5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.261 27.349 3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.839 27.894 5.457 1.00 0.00 H new ATOM 750 N GLN A 46 13.739 27.863 7.451 1.00 0.00 N ATOM 751 CA GLN A 46 13.764 27.758 8.905 1.00 0.00 C ATOM 752 C GLN A 46 12.438 28.213 9.507 1.00 0.00 C ATOM 753 O GLN A 46 12.146 27.934 10.669 1.00 0.00 O ATOM 754 CB GLN A 46 14.911 28.592 9.478 1.00 0.00 C ATOM 755 CG GLN A 46 16.226 27.836 9.572 1.00 0.00 C ATOM 756 CD GLN A 46 16.336 26.727 8.545 1.00 0.00 C ATOM 757 OE1 GLN A 46 16.421 25.549 8.893 1.00 0.00 O ATOM 758 NE2 GLN A 46 16.333 27.097 7.270 1.00 0.00 N ATOM 0 H GLN A 46 14.464 28.463 7.059 1.00 0.00 H new ATOM 0 HA GLN A 46 13.920 26.711 9.166 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.053 29.475 8.855 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.632 28.944 10.471 1.00 0.00 H new ATOM 0 HG2 GLN A 46 17.052 28.534 9.437 1.00 0.00 H new ATOM 0 HG3 GLN A 46 16.326 27.412 10.571 1.00 0.00 H new ATOM 0 HE21 GLN A 46 16.261 28.085 7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.403 26.394 6.535 1.00 0.00 H new ATOM 767 N GLN A 47 11.641 28.915 8.707 1.00 0.00 N ATOM 768 CA GLN A 47 10.347 29.409 9.162 1.00 0.00 C ATOM 769 C GLN A 47 9.271 28.340 9.005 1.00 0.00 C ATOM 770 O GLN A 47 8.299 28.309 9.760 1.00 0.00 O ATOM 771 CB GLN A 47 9.954 30.664 8.382 1.00 0.00 C ATOM 772 CG GLN A 47 11.140 31.523 7.974 1.00 0.00 C ATOM 773 CD GLN A 47 12.184 31.635 9.067 1.00 0.00 C ATOM 774 OE1 GLN A 47 13.294 30.925 8.902 1.00 0.00 O flip ATOM 775 NE2 GLN A 47 11.995 32.351 10.051 1.00 0.00 N flip ATOM 0 H GLN A 47 11.869 29.154 7.742 1.00 0.00 H new ATOM 0 HA GLN A 47 10.433 29.659 10.219 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.405 30.369 7.488 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.275 31.262 8.990 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.599 31.100 7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.788 32.520 7.710 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.127 32.880 10.138 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.706 32.415 10.779 1.00 0.00 H new ATOM 784 N GLU A 48 9.451 27.466 8.020 1.00 0.00 N ATOM 785 CA GLU A 48 8.493 26.397 7.764 1.00 0.00 C ATOM 786 C GLU A 48 9.206 25.120 7.329 1.00 0.00 C ATOM 787 O GLU A 48 9.493 24.929 6.147 1.00 0.00 O ATOM 788 CB GLU A 48 7.491 26.825 6.689 1.00 0.00 C ATOM 789 CG GLU A 48 6.585 27.966 7.122 1.00 0.00 C ATOM 790 CD GLU A 48 6.073 28.781 5.950 1.00 0.00 C ATOM 791 OE1 GLU A 48 6.478 28.491 4.805 1.00 0.00 O ATOM 792 OE2 GLU A 48 5.269 29.709 6.178 1.00 0.00 O ATOM 0 H GLU A 48 10.251 27.477 7.387 1.00 0.00 H new ATOM 0 HA GLU A 48 7.957 26.196 8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.037 27.125 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.876 25.968 6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.738 27.562 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.130 28.619 7.804 1.00 0.00 H new ATOM 799 N GLN A 49 9.490 24.250 8.293 1.00 0.00 N ATOM 800 CA GLN A 49 10.171 22.992 8.010 1.00 0.00 C ATOM 801 C GLN A 49 9.415 22.188 6.957 1.00 0.00 C ATOM 802 O GLN A 49 9.967 21.274 6.344 1.00 0.00 O ATOM 803 CB GLN A 49 10.318 22.168 9.290 1.00 0.00 C ATOM 804 CG GLN A 49 11.368 22.709 10.246 1.00 0.00 C ATOM 805 CD GLN A 49 10.761 23.437 11.429 1.00 0.00 C ATOM 806 OE1 GLN A 49 9.952 22.877 12.168 1.00 0.00 O ATOM 807 NE2 GLN A 49 11.150 24.694 11.614 1.00 0.00 N ATOM 0 H GLN A 49 9.259 24.393 9.276 1.00 0.00 H new ATOM 0 HA GLN A 49 11.162 23.224 7.620 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.356 22.133 9.802 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.575 21.143 9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.983 21.885 10.608 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.029 23.388 9.707 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.823 25.119 10.976 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.775 25.234 12.394 1.00 0.00 H new ATOM 816 N HIS A 50 8.148 22.535 6.753 1.00 0.00 N ATOM 817 CA HIS A 50 7.316 21.845 5.773 1.00 0.00 C ATOM 818 C HIS A 50 7.566 22.388 4.369 1.00 0.00 C ATOM 819 O HIS A 50 6.866 22.032 3.422 1.00 0.00 O ATOM 820 CB HIS A 50 5.837 21.994 6.134 1.00 0.00 C ATOM 821 CG HIS A 50 5.364 23.415 6.145 1.00 0.00 C ATOM 822 ND1 HIS A 50 5.176 24.293 5.133 1.00 0.00 N flip ATOM 823 CD2 HIS A 50 5.023 24.086 7.301 1.00 0.00 C flip ATOM 824 CE1 HIS A 50 4.729 25.467 5.689 1.00 0.00 C flip ATOM 825 NE2 HIS A 50 4.645 25.315 6.998 1.00 0.00 N flip ATOM 0 H HIS A 50 7.676 23.289 7.252 1.00 0.00 H new ATOM 0 HA HIS A 50 7.582 20.788 5.787 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.239 21.426 5.422 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.665 21.555 7.117 1.00 0.00 H new ATOM 0 HD1 HIS A 50 5.336 24.116 4.141 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.059 23.672 8.298 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.486 26.367 5.144 1.00 0.00 H new ATOM 833 N MET A 51 8.568 23.251 4.244 1.00 0.00 N ATOM 834 CA MET A 51 8.911 23.842 2.955 1.00 0.00 C ATOM 835 C MET A 51 10.383 23.616 2.628 1.00 0.00 C ATOM 836 O MET A 51 11.254 24.347 3.101 1.00 0.00 O ATOM 837 CB MET A 51 8.601 25.340 2.959 1.00 0.00 C ATOM 838 CG MET A 51 7.488 25.733 2.001 1.00 0.00 C ATOM 839 SD MET A 51 8.107 26.537 0.510 1.00 0.00 S ATOM 840 CE MET A 51 9.502 25.486 0.113 1.00 0.00 C ATOM 0 H MET A 51 9.157 23.557 5.019 1.00 0.00 H new ATOM 0 HA MET A 51 8.308 23.356 2.188 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.324 25.643 3.969 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.505 25.890 2.698 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.923 24.844 1.722 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.796 26.403 2.510 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.803 25.656 -0.921 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.335 25.720 0.776 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.219 24.441 0.241 1.00 0.00 H new ATOM 850 N VAL A 52 10.655 22.600 1.815 1.00 0.00 N ATOM 851 CA VAL A 52 12.022 22.278 1.424 1.00 0.00 C ATOM 852 C VAL A 52 12.547 23.273 0.395 1.00 0.00 C ATOM 853 O VAL A 52 11.816 23.703 -0.497 1.00 0.00 O ATOM 854 CB VAL A 52 12.120 20.855 0.843 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.548 20.547 0.421 1.00 0.00 C ATOM 856 CG2 VAL A 52 11.621 19.832 1.852 1.00 0.00 C ATOM 0 H VAL A 52 9.946 21.986 1.414 1.00 0.00 H new ATOM 0 HA VAL A 52 12.631 22.336 2.326 1.00 0.00 H new ATOM 0 HB VAL A 52 11.485 20.798 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.597 19.537 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.865 21.261 -0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.207 20.621 1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.697 18.832 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.227 19.887 2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.580 20.042 2.099 1.00 0.00 H new ATOM 866 N TYR A 53 13.819 23.634 0.525 1.00 0.00 N ATOM 867 CA TYR A 53 14.443 24.580 -0.393 1.00 0.00 C ATOM 868 C TYR A 53 15.760 24.029 -0.931 1.00 0.00 C ATOM 869 O TYR A 53 16.837 24.517 -0.587 1.00 0.00 O ATOM 870 CB TYR A 53 14.685 25.918 0.307 1.00 0.00 C ATOM 871 CG TYR A 53 13.561 26.912 0.119 1.00 0.00 C ATOM 872 CD1 TYR A 53 13.127 27.267 -1.152 1.00 0.00 C ATOM 873 CD2 TYR A 53 12.933 27.495 1.213 1.00 0.00 C ATOM 874 CE1 TYR A 53 12.102 28.175 -1.329 1.00 0.00 C ATOM 875 CE2 TYR A 53 11.905 28.403 1.045 1.00 0.00 C ATOM 876 CZ TYR A 53 11.494 28.741 -0.227 1.00 0.00 C ATOM 877 OH TYR A 53 10.471 29.645 -0.399 1.00 0.00 O ATOM 0 H TYR A 53 14.438 23.286 1.257 1.00 0.00 H new ATOM 0 HA TYR A 53 13.765 24.734 -1.232 1.00 0.00 H new ATOM 0 HB2 TYR A 53 14.827 25.740 1.373 1.00 0.00 H new ATOM 0 HB3 TYR A 53 15.611 26.353 -0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.600 26.825 -2.017 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.254 27.234 2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.778 28.441 -2.324 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.426 28.846 1.906 1.00 0.00 H new ATOM 0 HH TYR A 53 10.151 29.948 0.477 1.00 0.00 H new ATOM 887 N CYS A 54 15.665 23.010 -1.778 1.00 0.00 N ATOM 888 CA CYS A 54 16.848 22.391 -2.365 1.00 0.00 C ATOM 889 C CYS A 54 17.800 23.450 -2.914 1.00 0.00 C ATOM 890 O CYS A 54 19.008 23.388 -2.692 1.00 0.00 O ATOM 891 CB CYS A 54 16.444 21.424 -3.479 1.00 0.00 C ATOM 892 SG CYS A 54 15.624 22.217 -4.882 1.00 0.00 S ATOM 0 H CYS A 54 14.781 22.595 -2.073 1.00 0.00 H new ATOM 0 HA CYS A 54 17.364 21.836 -1.582 1.00 0.00 H new ATOM 0 HB2 CYS A 54 17.334 20.906 -3.837 1.00 0.00 H new ATOM 0 HB3 CYS A 54 15.780 20.666 -3.064 1.00 0.00 H new ATOM 0 HG CYS A 54 14.871 23.186 -4.453 1.00 0.00 H new ATOM 898 N GLY A 55 17.245 24.420 -3.634 1.00 0.00 N ATOM 899 CA GLY A 55 18.059 25.477 -4.205 1.00 0.00 C ATOM 900 C GLY A 55 19.069 24.954 -5.207 1.00 0.00 C ATOM 901 O GLY A 55 19.962 25.683 -5.638 1.00 0.00 O ATOM 0 H GLY A 55 16.247 24.493 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.412 26.206 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.583 26.000 -3.405 1.00 0.00 H new ATOM 905 N GLY A 56 18.929 23.686 -5.580 1.00 0.00 N ATOM 906 CA GLY A 56 19.844 23.087 -6.533 1.00 0.00 C ATOM 907 C GLY A 56 20.593 21.904 -5.953 1.00 0.00 C ATOM 908 O GLY A 56 21.152 21.092 -6.692 1.00 0.00 O ATOM 0 H GLY A 56 18.197 23.062 -5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 56 19.287 22.765 -7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 56 20.560 23.838 -6.866 1.00 0.00 H new ATOM 912 N ASP A 57 20.607 21.806 -4.629 1.00 0.00 N ATOM 913 CA ASP A 57 21.295 20.713 -3.950 1.00 0.00 C ATOM 914 C ASP A 57 20.933 19.371 -4.577 1.00 0.00 C ATOM 915 O ASP A 57 20.107 19.302 -5.488 1.00 0.00 O ATOM 916 CB ASP A 57 20.942 20.707 -2.462 1.00 0.00 C ATOM 917 CG ASP A 57 22.163 20.546 -1.578 1.00 0.00 C ATOM 918 OD1 ASP A 57 22.897 21.539 -1.396 1.00 0.00 O ATOM 919 OD2 ASP A 57 22.384 19.427 -1.069 1.00 0.00 O ATOM 0 H ASP A 57 20.150 22.470 -4.004 1.00 0.00 H new ATOM 0 HA ASP A 57 22.368 20.867 -4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.434 21.637 -2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.242 19.896 -2.261 1.00 0.00 H new ATOM 924 N LEU A 58 21.556 18.306 -4.084 1.00 0.00 N ATOM 925 CA LEU A 58 21.301 16.965 -4.597 1.00 0.00 C ATOM 926 C LEU A 58 19.803 16.711 -4.735 1.00 0.00 C ATOM 927 O LEU A 58 19.318 16.367 -5.814 1.00 0.00 O ATOM 928 CB LEU A 58 21.924 15.917 -3.673 1.00 0.00 C ATOM 929 CG LEU A 58 23.452 15.862 -3.654 1.00 0.00 C ATOM 930 CD1 LEU A 58 24.004 15.902 -5.071 1.00 0.00 C ATOM 931 CD2 LEU A 58 24.017 17.007 -2.827 1.00 0.00 C ATOM 0 H LEU A 58 22.241 18.345 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 58 21.757 16.887 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 58 21.575 16.103 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 58 21.549 14.936 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 58 23.757 14.923 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.093 15.862 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 58 23.626 15.048 -5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 58 23.689 16.825 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 58 25.106 16.952 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 58 23.703 17.957 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 58 23.648 16.934 -1.804 1.00 0.00 H new ATOM 943 N LEU A 59 19.075 16.884 -3.638 1.00 0.00 N ATOM 944 CA LEU A 59 17.631 16.676 -3.637 1.00 0.00 C ATOM 945 C LEU A 59 16.956 17.537 -4.700 1.00 0.00 C ATOM 946 O LEU A 59 15.977 17.123 -5.319 1.00 0.00 O ATOM 947 CB LEU A 59 17.050 16.998 -2.259 1.00 0.00 C ATOM 948 CG LEU A 59 17.359 18.392 -1.710 1.00 0.00 C ATOM 949 CD1 LEU A 59 16.103 19.030 -1.138 1.00 0.00 C ATOM 950 CD2 LEU A 59 18.451 18.319 -0.652 1.00 0.00 C ATOM 0 H LEU A 59 19.461 17.168 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 59 17.440 15.628 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 59 15.967 16.880 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 59 17.421 16.259 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 59 17.717 19.014 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 59 16.342 20.021 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.350 19.117 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.715 18.410 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 59 18.658 19.320 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.121 17.681 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 59 19.357 17.904 -1.093 1.00 0.00 H new ATOM 962 N GLY A 60 17.489 18.737 -4.908 1.00 0.00 N ATOM 963 CA GLY A 60 16.926 19.637 -5.898 1.00 0.00 C ATOM 964 C GLY A 60 17.091 19.118 -7.313 1.00 0.00 C ATOM 965 O GLY A 60 16.159 19.177 -8.114 1.00 0.00 O ATOM 0 H GLY A 60 18.300 19.102 -4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.866 19.785 -5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.406 20.612 -5.813 1.00 0.00 H new ATOM 969 N GLU A 61 18.280 18.610 -7.620 1.00 0.00 N ATOM 970 CA GLU A 61 18.563 18.081 -8.949 1.00 0.00 C ATOM 971 C GLU A 61 17.722 16.839 -9.232 1.00 0.00 C ATOM 972 O GLU A 61 17.245 16.639 -10.350 1.00 0.00 O ATOM 973 CB GLU A 61 20.050 17.744 -9.083 1.00 0.00 C ATOM 974 CG GLU A 61 20.343 16.254 -9.037 1.00 0.00 C ATOM 975 CD GLU A 61 19.940 15.541 -10.313 1.00 0.00 C ATOM 976 OE1 GLU A 61 20.003 16.171 -11.389 1.00 0.00 O ATOM 977 OE2 GLU A 61 19.562 14.353 -10.235 1.00 0.00 O ATOM 0 H GLU A 61 19.062 18.554 -6.968 1.00 0.00 H new ATOM 0 HA GLU A 61 18.304 18.848 -9.679 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.423 18.150 -10.023 1.00 0.00 H new ATOM 0 HB3 GLU A 61 20.600 18.239 -8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 61 21.408 16.102 -8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 61 19.814 15.809 -8.194 1.00 0.00 H new ATOM 984 N LEU A 62 17.545 16.008 -8.211 1.00 0.00 N ATOM 985 CA LEU A 62 16.762 14.784 -8.348 1.00 0.00 C ATOM 986 C LEU A 62 15.280 15.103 -8.519 1.00 0.00 C ATOM 987 O LEU A 62 14.581 14.455 -9.300 1.00 0.00 O ATOM 988 CB LEU A 62 16.965 13.887 -7.126 1.00 0.00 C ATOM 989 CG LEU A 62 17.377 12.443 -7.415 1.00 0.00 C ATOM 990 CD1 LEU A 62 16.720 11.946 -8.694 1.00 0.00 C ATOM 991 CD2 LEU A 62 18.891 12.330 -7.512 1.00 0.00 C ATOM 0 H LEU A 62 17.933 16.159 -7.280 1.00 0.00 H new ATOM 0 HA LEU A 62 17.107 14.258 -9.238 1.00 0.00 H new ATOM 0 HB2 LEU A 62 17.725 14.340 -6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.038 13.872 -6.553 1.00 0.00 H new ATOM 0 HG LEU A 62 17.038 11.816 -6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.025 10.917 -8.883 1.00 0.00 H new ATOM 0 HD12 LEU A 62 15.636 11.990 -8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.028 12.575 -9.529 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.166 11.296 -7.718 1.00 0.00 H new ATOM 0 HD22 LEU A 62 19.253 12.969 -8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.340 12.644 -6.570 1.00 0.00 H new ATOM 1003 N LEU A 63 14.807 16.105 -7.786 1.00 0.00 N ATOM 1004 CA LEU A 63 13.408 16.511 -7.859 1.00 0.00 C ATOM 1005 C LEU A 63 13.083 17.105 -9.226 1.00 0.00 C ATOM 1006 O LEU A 63 12.079 16.754 -9.844 1.00 0.00 O ATOM 1007 CB LEU A 63 13.095 17.529 -6.760 1.00 0.00 C ATOM 1008 CG LEU A 63 12.575 16.955 -5.442 1.00 0.00 C ATOM 1009 CD1 LEU A 63 11.062 16.806 -5.484 1.00 0.00 C ATOM 1010 CD2 LEU A 63 13.236 15.617 -5.145 1.00 0.00 C ATOM 0 H LEU A 63 15.371 16.651 -7.135 1.00 0.00 H new ATOM 0 HA LEU A 63 12.790 15.625 -7.713 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.000 18.100 -6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.356 18.232 -7.144 1.00 0.00 H new ATOM 0 HG LEU A 63 12.829 17.649 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.710 16.396 -4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.605 17.782 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.785 16.133 -6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.854 15.223 -4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.014 14.915 -5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.315 15.753 -5.070 1.00 0.00 H new ATOM 1022 N GLY A 64 13.942 18.006 -9.693 1.00 0.00 N ATOM 1023 CA GLY A 64 13.730 18.633 -10.985 1.00 0.00 C ATOM 1024 C GLY A 64 13.120 20.015 -10.866 1.00 0.00 C ATOM 1025 O GLY A 64 12.820 20.658 -11.872 1.00 0.00 O ATOM 0 H GLY A 64 14.781 18.313 -9.200 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.682 18.704 -11.512 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.078 18.002 -11.589 1.00 0.00 H new ATOM 1029 N ARG A 65 12.934 20.474 -9.632 1.00 0.00 N ATOM 1030 CA ARG A 65 12.352 21.788 -9.385 1.00 0.00 C ATOM 1031 C ARG A 65 13.316 22.669 -8.597 1.00 0.00 C ATOM 1032 O ARG A 65 14.531 22.484 -8.657 1.00 0.00 O ATOM 1033 CB ARG A 65 11.032 21.650 -8.624 1.00 0.00 C ATOM 1034 CG ARG A 65 10.272 20.374 -8.949 1.00 0.00 C ATOM 1035 CD ARG A 65 10.214 20.127 -10.449 1.00 0.00 C ATOM 1036 NE ARG A 65 10.710 18.801 -10.804 1.00 0.00 N ATOM 1037 CZ ARG A 65 10.589 18.271 -12.017 1.00 0.00 C ATOM 1038 NH1 ARG A 65 9.990 18.952 -12.984 1.00 0.00 N ATOM 1039 NH2 ARG A 65 11.066 17.058 -12.263 1.00 0.00 N ATOM 0 H ARG A 65 13.178 19.955 -8.788 1.00 0.00 H new ATOM 0 HA ARG A 65 12.160 22.260 -10.349 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.235 21.679 -7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.399 22.508 -8.852 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.753 19.528 -8.458 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.260 20.441 -8.551 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.186 20.234 -10.795 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.804 20.885 -10.964 1.00 0.00 H new ATOM 0 HE ARG A 65 11.175 18.251 -10.082 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.621 19.885 -12.798 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.898 18.543 -13.914 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.526 16.531 -11.521 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.973 16.652 -13.194 1.00 0.00 H new ATOM 1053 N GLN A 66 12.765 23.628 -7.860 1.00 0.00 N ATOM 1054 CA GLN A 66 13.577 24.539 -7.061 1.00 0.00 C ATOM 1055 C GLN A 66 13.250 24.401 -5.578 1.00 0.00 C ATOM 1056 O GLN A 66 14.122 24.557 -4.723 1.00 0.00 O ATOM 1057 CB GLN A 66 13.354 25.984 -7.513 1.00 0.00 C ATOM 1058 CG GLN A 66 11.937 26.261 -7.986 1.00 0.00 C ATOM 1059 CD GLN A 66 11.699 27.727 -8.288 1.00 0.00 C ATOM 1060 OE1 GLN A 66 11.213 28.476 -7.440 1.00 0.00 O ATOM 1061 NE2 GLN A 66 12.040 28.146 -9.501 1.00 0.00 N ATOM 0 H GLN A 66 11.760 23.794 -7.799 1.00 0.00 H new ATOM 0 HA GLN A 66 14.625 24.277 -7.209 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.590 26.655 -6.687 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.049 26.215 -8.320 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.735 25.672 -8.881 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.232 25.932 -7.222 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.440 27.491 -10.173 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.902 29.123 -9.761 1.00 0.00 H new ATOM 1070 N SER A 67 11.989 24.108 -5.280 1.00 0.00 N ATOM 1071 CA SER A 67 11.546 23.953 -3.899 1.00 0.00 C ATOM 1072 C SER A 67 10.273 23.115 -3.828 1.00 0.00 C ATOM 1073 O SER A 67 9.434 23.161 -4.728 1.00 0.00 O ATOM 1074 CB SER A 67 11.305 25.322 -3.262 1.00 0.00 C ATOM 1075 OG SER A 67 9.962 25.739 -3.441 1.00 0.00 O ATOM 0 H SER A 67 11.256 23.973 -5.976 1.00 0.00 H new ATOM 0 HA SER A 67 12.331 23.437 -3.347 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.536 25.277 -2.198 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.979 26.056 -3.704 1.00 0.00 H new ATOM 0 HG SER A 67 9.833 26.616 -3.023 1.00 0.00 H new ATOM 1081 N PHE A 68 10.136 22.348 -2.750 1.00 0.00 N ATOM 1082 CA PHE A 68 8.967 21.498 -2.560 1.00 0.00 C ATOM 1083 C PHE A 68 8.545 21.473 -1.094 1.00 0.00 C ATOM 1084 O PHE A 68 9.358 21.705 -0.199 1.00 0.00 O ATOM 1085 CB PHE A 68 9.260 20.076 -3.043 1.00 0.00 C ATOM 1086 CG PHE A 68 10.510 19.489 -2.453 1.00 0.00 C ATOM 1087 CD1 PHE A 68 10.487 18.889 -1.205 1.00 0.00 C ATOM 1088 CD2 PHE A 68 11.708 19.536 -3.147 1.00 0.00 C ATOM 1089 CE1 PHE A 68 11.635 18.346 -0.659 1.00 0.00 C ATOM 1090 CE2 PHE A 68 12.859 18.996 -2.607 1.00 0.00 C ATOM 1091 CZ PHE A 68 12.823 18.401 -1.361 1.00 0.00 C ATOM 0 H PHE A 68 10.820 22.298 -1.995 1.00 0.00 H new ATOM 0 HA PHE A 68 8.148 21.912 -3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.414 19.435 -2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.348 20.081 -4.129 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.561 18.845 -0.652 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.742 20.000 -4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.603 17.880 0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.786 19.039 -3.159 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.722 17.980 -0.937 1.00 0.00 H new ATOM 1101 N SER A 69 7.269 21.190 -0.856 1.00 0.00 N ATOM 1102 CA SER A 69 6.737 21.139 0.501 1.00 0.00 C ATOM 1103 C SER A 69 6.743 19.709 1.033 1.00 0.00 C ATOM 1104 O SER A 69 6.377 18.770 0.326 1.00 0.00 O ATOM 1105 CB SER A 69 5.315 21.702 0.536 1.00 0.00 C ATOM 1106 OG SER A 69 5.122 22.664 -0.486 1.00 0.00 O ATOM 0 H SER A 69 6.584 20.992 -1.585 1.00 0.00 H new ATOM 0 HA SER A 69 7.377 21.749 1.139 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.596 20.891 0.417 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.124 22.156 1.508 1.00 0.00 H new ATOM 0 HG SER A 69 4.205 23.007 -0.443 1.00 0.00 H new ATOM 1112 N VAL A 70 7.163 19.551 2.284 1.00 0.00 N ATOM 1113 CA VAL A 70 7.216 18.237 2.913 1.00 0.00 C ATOM 1114 C VAL A 70 5.822 17.754 3.297 1.00 0.00 C ATOM 1115 O VAL A 70 5.544 16.555 3.288 1.00 0.00 O ATOM 1116 CB VAL A 70 8.106 18.252 4.170 1.00 0.00 C ATOM 1117 CG1 VAL A 70 9.175 19.328 4.054 1.00 0.00 C ATOM 1118 CG2 VAL A 70 7.262 18.459 5.418 1.00 0.00 C ATOM 0 H VAL A 70 7.472 20.317 2.882 1.00 0.00 H new ATOM 0 HA VAL A 70 7.645 17.553 2.181 1.00 0.00 H new ATOM 0 HB VAL A 70 8.604 17.286 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.794 19.324 4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.798 19.129 3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.700 20.303 3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.907 18.467 6.296 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.734 19.410 5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.539 17.649 5.507 1.00 0.00 H new ATOM 1128 N LYS A 71 4.947 18.696 3.633 1.00 0.00 N ATOM 1129 CA LYS A 71 3.580 18.369 4.018 1.00 0.00 C ATOM 1130 C LYS A 71 2.749 17.979 2.800 1.00 0.00 C ATOM 1131 O LYS A 71 1.570 17.646 2.921 1.00 0.00 O ATOM 1132 CB LYS A 71 2.931 19.557 4.732 1.00 0.00 C ATOM 1133 CG LYS A 71 2.053 19.157 5.905 1.00 0.00 C ATOM 1134 CD LYS A 71 1.669 20.359 6.750 1.00 0.00 C ATOM 1135 CE LYS A 71 2.697 20.626 7.839 1.00 0.00 C ATOM 1136 NZ LYS A 71 2.100 21.336 9.004 1.00 0.00 N ATOM 0 H LYS A 71 5.161 19.693 3.646 1.00 0.00 H new ATOM 0 HA LYS A 71 3.615 17.518 4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.713 20.228 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.331 20.118 4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.152 18.668 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.579 18.430 6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.576 21.238 6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.693 20.189 7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.128 19.681 8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.513 21.222 7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.809 21.969 9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.282 21.895 8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.791 20.641 9.713 1.00 0.00 H new ATOM 1150 N ASP A 72 3.372 18.020 1.627 1.00 0.00 N ATOM 1151 CA ASP A 72 2.691 17.668 0.387 1.00 0.00 C ATOM 1152 C ASP A 72 3.582 16.799 -0.495 1.00 0.00 C ATOM 1153 O ASP A 72 4.382 17.293 -1.290 1.00 0.00 O ATOM 1154 CB ASP A 72 2.281 18.932 -0.371 1.00 0.00 C ATOM 1155 CG ASP A 72 1.431 18.627 -1.588 1.00 0.00 C ATOM 1156 OD1 ASP A 72 0.399 17.940 -1.435 1.00 0.00 O ATOM 1157 OD2 ASP A 72 1.797 19.075 -2.695 1.00 0.00 O ATOM 0 H ASP A 72 4.348 18.294 1.509 1.00 0.00 H new ATOM 0 HA ASP A 72 1.797 17.099 0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.728 19.591 0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.175 19.472 -0.682 1.00 0.00 H new ATOM 1162 N PRO A 73 3.444 15.472 -0.351 1.00 0.00 N ATOM 1163 CA PRO A 73 4.228 14.506 -1.125 1.00 0.00 C ATOM 1164 C PRO A 73 3.834 14.487 -2.598 1.00 0.00 C ATOM 1165 O PRO A 73 3.370 13.469 -3.113 1.00 0.00 O ATOM 1166 CB PRO A 73 3.894 13.167 -0.464 1.00 0.00 C ATOM 1167 CG PRO A 73 2.553 13.373 0.152 1.00 0.00 C ATOM 1168 CD PRO A 73 2.510 14.814 0.578 1.00 0.00 C ATOM 0 HA PRO A 73 5.291 14.746 -1.119 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.874 12.359 -1.195 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.638 12.900 0.287 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.758 13.153 -0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.409 12.710 1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.505 15.227 0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.822 14.936 1.615 1.00 0.00 H new ATOM 1176 N SER A 74 4.021 15.617 -3.271 1.00 0.00 N ATOM 1177 CA SER A 74 3.681 15.731 -4.685 1.00 0.00 C ATOM 1178 C SER A 74 4.910 15.502 -5.559 1.00 0.00 C ATOM 1179 O SER A 74 5.024 14.500 -6.265 1.00 0.00 O ATOM 1180 CB SER A 74 3.081 17.107 -4.978 1.00 0.00 C ATOM 1181 OG SER A 74 3.423 17.545 -6.282 1.00 0.00 O ATOM 0 H SER A 74 4.406 16.467 -2.860 1.00 0.00 H new ATOM 0 HA SER A 74 2.943 14.964 -4.919 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.996 17.063 -4.878 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.440 17.828 -4.243 1.00 0.00 H new ATOM 0 HG SER A 74 3.026 18.426 -6.446 1.00 0.00 H new ATOM 1187 N PRO A 75 5.854 16.454 -5.512 1.00 0.00 N ATOM 1188 CA PRO A 75 7.093 16.380 -6.292 1.00 0.00 C ATOM 1189 C PRO A 75 8.030 15.288 -5.790 1.00 0.00 C ATOM 1190 O PRO A 75 8.840 14.752 -6.548 1.00 0.00 O ATOM 1191 CB PRO A 75 7.723 17.760 -6.089 1.00 0.00 C ATOM 1192 CG PRO A 75 7.176 18.239 -4.789 1.00 0.00 C ATOM 1193 CD PRO A 75 5.785 17.675 -4.692 1.00 0.00 C ATOM 0 HA PRO A 75 6.903 16.133 -7.336 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.811 17.698 -6.062 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.462 18.438 -6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.793 17.900 -3.957 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.159 19.328 -4.750 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.513 17.451 -3.660 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.041 18.374 -5.074 1.00 0.00 H new ATOM 1201 N LEU A 76 7.916 14.961 -4.507 1.00 0.00 N ATOM 1202 CA LEU A 76 8.754 13.931 -3.903 1.00 0.00 C ATOM 1203 C LEU A 76 8.578 12.596 -4.620 1.00 0.00 C ATOM 1204 O LEU A 76 9.532 12.044 -5.169 1.00 0.00 O ATOM 1205 CB LEU A 76 8.414 13.774 -2.420 1.00 0.00 C ATOM 1206 CG LEU A 76 9.326 12.846 -1.616 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.562 13.593 -1.141 1.00 0.00 C ATOM 1208 CD2 LEU A 76 8.574 12.250 -0.435 1.00 0.00 C ATOM 0 H LEU A 76 7.252 15.394 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 76 9.794 14.241 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.434 14.761 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.392 13.405 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 76 9.646 12.031 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.199 12.917 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 76 11.113 13.970 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.262 14.428 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.239 11.593 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.224 13.052 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.720 11.678 -0.798 1.00 0.00 H new ATOM 1220 N TYR A 77 7.353 12.083 -4.613 1.00 0.00 N ATOM 1221 CA TYR A 77 7.052 10.813 -5.262 1.00 0.00 C ATOM 1222 C TYR A 77 7.504 10.826 -6.719 1.00 0.00 C ATOM 1223 O TYR A 77 8.047 9.841 -7.221 1.00 0.00 O ATOM 1224 CB TYR A 77 5.553 10.519 -5.184 1.00 0.00 C ATOM 1225 CG TYR A 77 5.139 9.820 -3.908 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.313 8.451 -3.755 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.574 10.531 -2.856 1.00 0.00 C ATOM 1228 CE1 TYR A 77 4.935 7.809 -2.591 1.00 0.00 C ATOM 1229 CE2 TYR A 77 4.195 9.898 -1.688 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.377 8.536 -1.561 1.00 0.00 C ATOM 1231 OH TYR A 77 4.001 7.901 -0.400 1.00 0.00 O ATOM 0 H TYR A 77 6.552 12.528 -4.165 1.00 0.00 H new ATOM 0 HA TYR A 77 7.597 10.028 -4.738 1.00 0.00 H new ATOM 0 HB2 TYR A 77 5.002 11.456 -5.270 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.267 9.902 -6.036 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.751 7.878 -4.559 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.429 11.597 -2.953 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.076 6.743 -2.489 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.759 10.466 -0.879 1.00 0.00 H new ATOM 0 HH TYR A 77 3.626 8.557 0.225 1.00 0.00 H new ATOM 1241 N ASP A 78 7.276 11.948 -7.392 1.00 0.00 N ATOM 1242 CA ASP A 78 7.660 12.092 -8.792 1.00 0.00 C ATOM 1243 C ASP A 78 9.150 11.821 -8.977 1.00 0.00 C ATOM 1244 O ASP A 78 9.582 11.376 -10.040 1.00 0.00 O ATOM 1245 CB ASP A 78 7.318 13.495 -9.295 1.00 0.00 C ATOM 1246 CG ASP A 78 6.853 13.495 -10.738 1.00 0.00 C ATOM 1247 OD1 ASP A 78 7.716 13.528 -11.640 1.00 0.00 O ATOM 1248 OD2 ASP A 78 5.626 13.461 -10.966 1.00 0.00 O ATOM 0 H ASP A 78 6.827 12.772 -6.991 1.00 0.00 H new ATOM 0 HA ASP A 78 7.101 11.360 -9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.539 13.924 -8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 78 8.194 14.136 -9.199 1.00 0.00 H new ATOM 1253 N MET A 79 9.929 12.093 -7.935 1.00 0.00 N ATOM 1254 CA MET A 79 11.371 11.879 -7.984 1.00 0.00 C ATOM 1255 C MET A 79 11.711 10.414 -7.728 1.00 0.00 C ATOM 1256 O MET A 79 12.456 9.797 -8.491 1.00 0.00 O ATOM 1257 CB MET A 79 12.075 12.765 -6.954 1.00 0.00 C ATOM 1258 CG MET A 79 13.563 12.484 -6.827 1.00 0.00 C ATOM 1259 SD MET A 79 13.993 11.714 -5.254 1.00 0.00 S ATOM 1260 CE MET A 79 13.470 12.982 -4.103 1.00 0.00 C ATOM 0 H MET A 79 9.587 12.461 -7.048 1.00 0.00 H new ATOM 0 HA MET A 79 11.720 12.147 -8.981 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.933 13.810 -7.228 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.603 12.624 -5.982 1.00 0.00 H new ATOM 0 HG2 MET A 79 13.877 11.833 -7.643 1.00 0.00 H new ATOM 0 HG3 MET A 79 14.115 13.418 -6.933 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.333 12.542 -3.115 1.00 0.00 H new ATOM 0 HE2 MET A 79 14.230 13.762 -4.051 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.528 13.415 -4.441 1.00 0.00 H new ATOM 1270 N LEU A 80 11.162 9.863 -6.651 1.00 0.00 N ATOM 1271 CA LEU A 80 11.408 8.469 -6.295 1.00 0.00 C ATOM 1272 C LEU A 80 11.039 7.540 -7.447 1.00 0.00 C ATOM 1273 O LEU A 80 11.639 6.478 -7.617 1.00 0.00 O ATOM 1274 CB LEU A 80 10.609 8.094 -5.046 1.00 0.00 C ATOM 1275 CG LEU A 80 11.147 8.631 -3.719 1.00 0.00 C ATOM 1276 CD1 LEU A 80 11.240 10.148 -3.755 1.00 0.00 C ATOM 1277 CD2 LEU A 80 10.267 8.176 -2.563 1.00 0.00 C ATOM 0 H LEU A 80 10.544 10.359 -6.009 1.00 0.00 H new ATOM 0 HA LEU A 80 12.472 8.354 -6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.587 8.451 -5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.561 7.007 -4.982 1.00 0.00 H new ATOM 0 HG LEU A 80 12.149 8.230 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.625 10.512 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.912 10.452 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.250 10.569 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.665 8.567 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.253 8.547 -2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.252 7.087 -2.524 1.00 0.00 H new ATOM 1289 N ARG A 81 10.051 7.947 -8.236 1.00 0.00 N ATOM 1290 CA ARG A 81 9.603 7.151 -9.373 1.00 0.00 C ATOM 1291 C ARG A 81 10.791 6.546 -10.114 1.00 0.00 C ATOM 1292 O ARG A 81 10.829 5.342 -10.371 1.00 0.00 O ATOM 1293 CB ARG A 81 8.775 8.010 -10.330 1.00 0.00 C ATOM 1294 CG ARG A 81 9.614 8.785 -11.333 1.00 0.00 C ATOM 1295 CD ARG A 81 8.744 9.621 -12.259 1.00 0.00 C ATOM 1296 NE ARG A 81 8.976 9.303 -13.665 1.00 0.00 N ATOM 1297 CZ ARG A 81 8.416 8.272 -14.287 1.00 0.00 C ATOM 1298 NH1 ARG A 81 7.593 7.465 -13.632 1.00 0.00 N ATOM 1299 NH2 ARG A 81 8.677 8.048 -15.569 1.00 0.00 N ATOM 0 H ARG A 81 9.545 8.823 -8.109 1.00 0.00 H new ATOM 0 HA ARG A 81 8.981 6.340 -8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.078 7.369 -10.870 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.177 8.712 -9.749 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.310 9.434 -10.802 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.212 8.090 -11.923 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.694 9.454 -12.018 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.946 10.679 -12.089 1.00 0.00 H new ATOM 0 HE ARG A 81 9.602 9.906 -14.199 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.388 7.635 -12.647 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.165 6.674 -14.113 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.308 8.668 -16.077 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.247 7.256 -16.046 1.00 0.00 H new ATOM 1313 N LYS A 82 11.760 7.388 -10.456 1.00 0.00 N ATOM 1314 CA LYS A 82 12.951 6.938 -11.167 1.00 0.00 C ATOM 1315 C LYS A 82 14.168 6.942 -10.248 1.00 0.00 C ATOM 1316 O LYS A 82 15.268 6.574 -10.658 1.00 0.00 O ATOM 1317 CB LYS A 82 13.213 7.832 -12.382 1.00 0.00 C ATOM 1318 CG LYS A 82 14.322 8.846 -12.162 1.00 0.00 C ATOM 1319 CD LYS A 82 14.037 9.733 -10.961 1.00 0.00 C ATOM 1320 CE LYS A 82 13.339 11.020 -11.372 1.00 0.00 C ATOM 1321 NZ LYS A 82 13.010 11.033 -12.825 1.00 0.00 N ATOM 0 H LYS A 82 11.744 8.387 -10.252 1.00 0.00 H new ATOM 0 HA LYS A 82 12.777 5.917 -11.505 1.00 0.00 H new ATOM 0 HB2 LYS A 82 13.470 7.205 -13.236 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.295 8.360 -12.639 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.268 8.325 -12.014 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.434 9.464 -13.053 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.415 9.192 -10.248 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.972 9.971 -10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.424 11.138 -10.791 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.978 11.871 -11.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.476 11.896 -13.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.889 11.014 -13.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.435 10.198 -13.058 1.00 0.00 H new ATOM 1335 N ASN A 83 13.962 7.358 -9.003 1.00 0.00 N ATOM 1336 CA ASN A 83 15.043 7.408 -8.025 1.00 0.00 C ATOM 1337 C ASN A 83 14.986 6.205 -7.089 1.00 0.00 C ATOM 1338 O ASN A 83 15.965 5.472 -6.942 1.00 0.00 O ATOM 1339 CB ASN A 83 14.965 8.703 -7.214 1.00 0.00 C ATOM 1340 CG ASN A 83 15.535 8.546 -5.817 1.00 0.00 C ATOM 1341 OD1 ASN A 83 16.680 8.127 -5.645 1.00 0.00 O ATOM 1342 ND2 ASN A 83 14.735 8.880 -4.811 1.00 0.00 N ATOM 0 H ASN A 83 13.057 7.665 -8.647 1.00 0.00 H new ATOM 0 HA ASN A 83 15.989 7.381 -8.565 1.00 0.00 H new ATOM 0 HB2 ASN A 83 15.507 9.490 -7.738 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.925 9.023 -7.145 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.062 8.794 -3.849 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.793 9.223 -5.001 1.00 0.00 H new ATOM 1349 N LEU A 84 13.834 6.006 -6.459 1.00 0.00 N ATOM 1350 CA LEU A 84 13.648 4.891 -5.537 1.00 0.00 C ATOM 1351 C LEU A 84 13.617 3.563 -6.288 1.00 0.00 C ATOM 1352 O LEU A 84 12.574 3.148 -6.793 1.00 0.00 O ATOM 1353 CB LEU A 84 12.353 5.071 -4.743 1.00 0.00 C ATOM 1354 CG LEU A 84 12.183 4.165 -3.522 1.00 0.00 C ATOM 1355 CD1 LEU A 84 11.442 4.896 -2.414 1.00 0.00 C ATOM 1356 CD2 LEU A 84 11.449 2.887 -3.904 1.00 0.00 C ATOM 0 H LEU A 84 13.014 6.602 -6.570 1.00 0.00 H new ATOM 0 HA LEU A 84 14.491 4.878 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.294 6.108 -4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.512 4.903 -5.415 1.00 0.00 H new ATOM 0 HG LEU A 84 13.173 3.896 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.330 4.236 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 84 12.007 5.781 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.457 5.196 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.337 2.255 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.464 3.137 -4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 84 12.020 2.353 -4.664 1.00 0.00 H new ATOM 1368 N VAL A 85 14.768 2.901 -6.355 1.00 0.00 N ATOM 1369 CA VAL A 85 14.872 1.619 -7.041 1.00 0.00 C ATOM 1370 C VAL A 85 13.754 0.674 -6.615 1.00 0.00 C ATOM 1371 O VAL A 85 13.241 0.765 -5.499 1.00 0.00 O ATOM 1372 CB VAL A 85 16.230 0.945 -6.768 1.00 0.00 C ATOM 1373 CG1 VAL A 85 16.063 -0.561 -6.636 1.00 0.00 C ATOM 1374 CG2 VAL A 85 17.224 1.285 -7.868 1.00 0.00 C ATOM 0 H VAL A 85 15.641 3.231 -5.943 1.00 0.00 H new ATOM 0 HA VAL A 85 14.783 1.824 -8.108 1.00 0.00 H new ATOM 0 HB VAL A 85 16.622 1.326 -5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.033 -1.019 -6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 85 15.387 -0.781 -5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 85 15.649 -0.964 -7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 85 18.178 0.801 -7.659 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.841 0.934 -8.826 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.367 2.365 -7.908 1.00 0.00 H new ATOM 1499 N PHE B 119 11.532 18.416 11.877 1.00 0.00 N ATOM 1500 CA PHE B 119 11.080 17.699 10.691 1.00 0.00 C ATOM 1501 C PHE B 119 10.252 16.477 11.077 1.00 0.00 C ATOM 1502 O PHE B 119 9.217 16.199 10.472 1.00 0.00 O ATOM 1503 CB PHE B 119 12.278 17.270 9.841 1.00 0.00 C ATOM 1504 CG PHE B 119 12.055 17.431 8.365 1.00 0.00 C ATOM 1505 CD1 PHE B 119 10.771 17.504 7.849 1.00 0.00 C ATOM 1506 CD2 PHE B 119 13.129 17.512 7.493 1.00 0.00 C ATOM 1507 CE1 PHE B 119 10.563 17.652 6.491 1.00 0.00 C ATOM 1508 CE2 PHE B 119 12.927 17.660 6.134 1.00 0.00 C ATOM 1509 CZ PHE B 119 11.642 17.731 5.632 1.00 0.00 C ATOM 0 HA PHE B 119 10.452 18.372 10.107 1.00 0.00 H new ATOM 0 HB2 PHE B 119 13.149 17.855 10.134 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.509 16.226 10.054 1.00 0.00 H new ATOM 0 HD1 PHE B 119 9.923 17.445 8.516 1.00 0.00 H new ATOM 0 HD2 PHE B 119 14.136 17.459 7.880 1.00 0.00 H new ATOM 0 HE1 PHE B 119 9.557 17.706 6.101 1.00 0.00 H new ATOM 0 HE2 PHE B 119 13.773 17.720 5.465 1.00 0.00 H new ATOM 0 HZ PHE B 119 11.481 17.848 4.570 1.00 0.00 H new ATOM 1519 N SER B 120 10.717 15.750 12.088 1.00 0.00 N ATOM 1520 CA SER B 120 10.023 14.554 12.552 1.00 0.00 C ATOM 1521 C SER B 120 8.536 14.833 12.753 1.00 0.00 C ATOM 1522 O SER B 120 7.686 14.024 12.379 1.00 0.00 O ATOM 1523 CB SER B 120 10.641 14.056 13.860 1.00 0.00 C ATOM 1524 OG SER B 120 11.219 12.773 13.695 1.00 0.00 O ATOM 0 H SER B 120 11.571 15.968 12.601 1.00 0.00 H new ATOM 0 HA SER B 120 10.131 13.782 11.790 1.00 0.00 H new ATOM 0 HB2 SER B 120 11.401 14.760 14.198 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.876 14.017 14.635 1.00 0.00 H new ATOM 0 HG SER B 120 11.609 12.478 14.544 1.00 0.00 H new ATOM 1530 N ASP B 121 8.231 15.982 13.345 1.00 0.00 N ATOM 1531 CA ASP B 121 6.847 16.369 13.594 1.00 0.00 C ATOM 1532 C ASP B 121 6.011 16.249 12.324 1.00 0.00 C ATOM 1533 O ASP B 121 5.093 15.432 12.248 1.00 0.00 O ATOM 1534 CB ASP B 121 6.785 17.802 14.127 1.00 0.00 C ATOM 1535 CG ASP B 121 5.373 18.227 14.480 1.00 0.00 C ATOM 1536 OD1 ASP B 121 4.480 17.354 14.508 1.00 0.00 O ATOM 1537 OD2 ASP B 121 5.160 19.433 14.726 1.00 0.00 O ATOM 0 H ASP B 121 8.923 16.662 13.661 1.00 0.00 H new ATOM 0 HA ASP B 121 6.435 15.692 14.343 1.00 0.00 H new ATOM 0 HB2 ASP B 121 7.418 17.886 15.010 1.00 0.00 H new ATOM 0 HB3 ASP B 121 7.190 18.483 13.378 1.00 0.00 H new ATOM 1542 N LEU B 122 6.335 17.068 11.329 1.00 0.00 N ATOM 1543 CA LEU B 122 5.614 17.054 10.062 1.00 0.00 C ATOM 1544 C LEU B 122 6.037 15.864 9.206 1.00 0.00 C ATOM 1545 O LEU B 122 5.208 15.044 8.812 1.00 0.00 O ATOM 1546 CB LEU B 122 5.858 18.358 9.299 1.00 0.00 C ATOM 1547 CG LEU B 122 5.832 19.639 10.134 1.00 0.00 C ATOM 1548 CD1 LEU B 122 6.605 20.747 9.436 1.00 0.00 C ATOM 1549 CD2 LEU B 122 4.397 20.073 10.399 1.00 0.00 C ATOM 0 H LEU B 122 7.092 17.750 11.376 1.00 0.00 H new ATOM 0 HA LEU B 122 4.550 16.961 10.280 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.827 18.290 8.804 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.105 18.443 8.515 1.00 0.00 H new ATOM 0 HG LEU B 122 6.313 19.436 11.091 1.00 0.00 H new ATOM 0 HD11 LEU B 122 6.575 21.651 10.045 1.00 0.00 H new ATOM 0 HD12 LEU B 122 7.641 20.437 9.297 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.154 20.949 8.465 1.00 0.00 H new ATOM 0 HD21 LEU B 122 4.397 20.986 10.994 1.00 0.00 H new ATOM 0 HD22 LEU B 122 3.892 20.258 9.451 1.00 0.00 H new ATOM 0 HD23 LEU B 122 3.873 19.286 10.942 1.00 0.00 H new ATOM 1561 N TRP B 123 7.332 15.776 8.926 1.00 0.00 N ATOM 1562 CA TRP B 123 7.867 14.685 8.119 1.00 0.00 C ATOM 1563 C TRP B 123 7.074 13.402 8.345 1.00 0.00 C ATOM 1564 O TRP B 123 6.548 12.811 7.402 1.00 0.00 O ATOM 1565 CB TRP B 123 9.341 14.452 8.451 1.00 0.00 C ATOM 1566 CG TRP B 123 10.065 13.651 7.412 1.00 0.00 C ATOM 1567 CD1 TRP B 123 10.693 12.452 7.592 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.236 13.992 6.032 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.245 12.027 6.407 1.00 0.00 N ATOM 1570 CE2 TRP B 123 10.978 12.954 5.435 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.834 15.072 5.242 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.325 12.967 4.086 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.179 15.084 3.904 1.00 0.00 C ATOM 1574 CH2 TRP B 123 10.918 14.037 3.337 1.00 0.00 C ATOM 0 H TRP B 123 8.031 16.447 9.246 1.00 0.00 H new ATOM 0 HA TRP B 123 7.779 14.966 7.069 1.00 0.00 H new ATOM 0 HB2 TRP B 123 9.837 15.416 8.567 1.00 0.00 H new ATOM 0 HB3 TRP B 123 9.413 13.939 9.410 1.00 0.00 H new ATOM 0 HD1 TRP B 123 10.748 11.916 8.528 1.00 0.00 H new ATOM 0 HE1 TRP B 123 11.768 11.162 6.273 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.264 15.883 5.670 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 11.895 12.161 3.647 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 9.874 15.914 3.285 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.171 14.076 2.288 1.00 0.00 H new ATOM 1585 N LYS B 124 6.990 12.977 9.601 1.00 0.00 N ATOM 1586 CA LYS B 124 6.260 11.765 9.952 1.00 0.00 C ATOM 1587 C LYS B 124 4.879 11.755 9.304 1.00 0.00 C ATOM 1588 O LYS B 124 4.489 10.776 8.665 1.00 0.00 O ATOM 1589 CB LYS B 124 6.122 11.649 11.472 1.00 0.00 C ATOM 1590 CG LYS B 124 7.277 10.916 12.133 1.00 0.00 C ATOM 1591 CD LYS B 124 8.522 10.936 11.262 1.00 0.00 C ATOM 1592 CE LYS B 124 9.774 10.644 12.074 1.00 0.00 C ATOM 1593 NZ LYS B 124 9.449 10.253 13.474 1.00 0.00 N ATOM 0 H LYS B 124 7.419 13.455 10.394 1.00 0.00 H new ATOM 0 HA LYS B 124 6.824 10.911 9.578 1.00 0.00 H new ATOM 0 HB2 LYS B 124 6.045 12.649 11.899 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.192 11.130 11.706 1.00 0.00 H new ATOM 0 HG2 LYS B 124 7.498 11.377 13.096 1.00 0.00 H new ATOM 0 HG3 LYS B 124 6.988 9.884 12.332 1.00 0.00 H new ATOM 0 HD2 LYS B 124 8.423 10.198 10.466 1.00 0.00 H new ATOM 0 HD3 LYS B 124 8.617 11.910 10.783 1.00 0.00 H new ATOM 0 HE2 LYS B 124 10.339 9.844 11.595 1.00 0.00 H new ATOM 0 HE3 LYS B 124 10.415 11.526 12.083 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 10.303 9.885 13.939 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 9.102 11.084 13.995 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 8.714 9.517 13.467 1.00 0.00 H new ATOM 1607 N LEU B 125 4.145 12.849 9.470 1.00 0.00 N ATOM 1608 CA LEU B 125 2.807 12.967 8.900 1.00 0.00 C ATOM 1609 C LEU B 125 2.804 12.558 7.430 1.00 0.00 C ATOM 1610 O LEU B 125 1.769 12.175 6.883 1.00 0.00 O ATOM 1611 CB LEU B 125 2.295 14.401 9.043 1.00 0.00 C ATOM 1612 CG LEU B 125 0.820 14.552 9.419 1.00 0.00 C ATOM 1613 CD1 LEU B 125 0.667 15.472 10.620 1.00 0.00 C ATOM 1614 CD2 LEU B 125 0.019 15.077 8.237 1.00 0.00 C ATOM 0 H LEU B 125 4.453 13.668 9.995 1.00 0.00 H new ATOM 0 HA LEU B 125 2.145 12.295 9.447 1.00 0.00 H new ATOM 0 HB2 LEU B 125 2.896 14.906 9.799 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.464 14.922 8.101 1.00 0.00 H new ATOM 0 HG LEU B 125 0.431 13.570 9.688 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -0.389 15.568 10.873 1.00 0.00 H new ATOM 0 HD12 LEU B 125 1.207 15.054 11.469 1.00 0.00 H new ATOM 0 HD13 LEU B 125 1.073 16.455 10.380 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -1.028 15.178 8.523 1.00 0.00 H new ATOM 0 HD22 LEU B 125 0.409 16.050 7.937 1.00 0.00 H new ATOM 0 HD23 LEU B 125 0.102 14.380 7.403 1.00 0.00 H new ATOM 1626 N LEU B 126 3.969 12.640 6.796 1.00 0.00 N ATOM 1627 CA LEU B 126 4.101 12.276 5.390 1.00 0.00 C ATOM 1628 C LEU B 126 3.658 10.836 5.156 1.00 0.00 C ATOM 1629 O LEU B 126 4.117 9.904 5.816 1.00 0.00 O ATOM 1630 CB LEU B 126 5.549 12.457 4.930 1.00 0.00 C ATOM 1631 CG LEU B 126 5.768 12.549 3.420 1.00 0.00 C ATOM 1632 CD1 LEU B 126 5.903 14.000 2.987 1.00 0.00 C ATOM 1633 CD2 LEU B 126 6.997 11.751 3.010 1.00 0.00 C ATOM 0 H LEU B 126 4.835 12.955 7.233 1.00 0.00 H new ATOM 0 HA LEU B 126 3.456 12.934 4.808 1.00 0.00 H new ATOM 0 HB2 LEU B 126 5.944 13.363 5.390 1.00 0.00 H new ATOM 0 HB3 LEU B 126 6.137 11.623 5.312 1.00 0.00 H new ATOM 0 HG LEU B 126 4.899 12.122 2.920 1.00 0.00 H new ATOM 0 HD11 LEU B 126 6.058 14.045 1.909 1.00 0.00 H new ATOM 0 HD12 LEU B 126 4.994 14.543 3.246 1.00 0.00 H new ATOM 0 HD13 LEU B 126 6.754 14.454 3.495 1.00 0.00 H new ATOM 0 HD21 LEU B 126 7.138 11.828 1.932 1.00 0.00 H new ATOM 0 HD22 LEU B 126 7.875 12.148 3.520 1.00 0.00 H new ATOM 0 HD23 LEU B 126 6.860 10.705 3.284 1.00 0.00 H new