USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 770 hydrogens (30 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 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 99:sc= -0.747 USER MOD Set 1.2: A 95 HEM CMB :methyl -30:sc= -13.3! (180deg=-14.4!) USER MOD Set 2.1: A 26 HIS : no HD1:sc= -0.278 K(o=-0.76,f=-2) USER MOD Set 2.2: A 55 THR OG1 : rot -117:sc= -0.479 USER MOD Set 3.1: A 15 HIS : no HD1:sc= -2.7 K(o=-2.6,f=-3.6) USER MOD Set 3.2: A 20 SER OG : rot -143:sc= 0.0604 USER MOD Single : A 1 ASP N :NH3+ -113:sc= 1.08 (180deg=0.358) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 1.06 (180deg=1.06) USER MOD Single : A 6 TYR OH : rot 166:sc=-0.00127 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0856 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.388 K(o=-0.39,f=-2.3!) USER MOD Single : A 17 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.19) USER MOD Single : A 18 SER OG : rot 65:sc= 0.668 USER MOD Single : A 19 LYS NZ :NH3+ -157:sc= -0.0947 (180deg=-0.593) USER MOD Single : A 21 THR OG1 : rot 88:sc= -0.151 USER MOD Single : A 27 HIS : no HE2:sc= 0.353 K(o=0.35,f=-1.4) USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= 1.24 (180deg=1.02) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 94:sc= -0.664 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.996 X(o=-1,f=-1.1) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc=0.000456 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -2.9 K(o=-2.9,f=-3.8) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -158:sc= -0.103 (180deg=-1.08) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HEM CMA :methyl 150:sc= -0.131 (180deg=-0.131) USER MOD Single : A 95 HEM CMC :methyl 150:sc= -4.93! (180deg=-4.93!) USER MOD Single : A 95 HEM CMD :methyl 150:sc= -0.069 (180deg=-0.069) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -19.120 2.096 6.731 1.00 9.69 N ATOM 2 CA ASP A 1 -20.062 1.789 5.640 1.00 9.37 C ATOM 3 C ASP A 1 -20.437 0.325 5.823 1.00 8.39 C ATOM 4 O ASP A 1 -19.648 -0.381 6.442 1.00 8.18 O ATOM 5 CB ASP A 1 -19.401 2.148 4.306 1.00 10.12 C ATOM 6 CG ASP A 1 -19.039 3.624 4.404 1.00 11.19 C ATOM 7 OD1 ASP A 1 -18.058 3.892 5.135 1.00 11.31 O ATOM 8 OD2 ASP A 1 -19.850 4.446 3.936 1.00 12.11 O ATOM 0 H1 ASP A 1 -19.559 2.771 7.389 1.00 9.69 H new ATOM 0 H2 ASP A 1 -18.882 1.221 7.240 1.00 9.69 H new ATOM 0 H3 ASP A 1 -18.253 2.513 6.335 1.00 9.69 H new ATOM 0 HA ASP A 1 -20.984 2.370 5.652 1.00 9.37 H new ATOM 0 HB2 ASP A 1 -18.514 1.539 4.133 1.00 10.12 H new ATOM 0 HB3 ASP A 1 -20.080 1.967 3.472 1.00 10.12 H new ATOM 15 N LYS A 2 -21.651 -0.132 5.473 1.00 8.25 N ATOM 16 CA LYS A 2 -21.937 -1.554 5.709 1.00 7.74 C ATOM 17 C LYS A 2 -21.065 -2.397 4.788 1.00 6.37 C ATOM 18 O LYS A 2 -20.552 -3.436 5.188 1.00 5.96 O ATOM 19 CB LYS A 2 -23.411 -1.939 5.496 1.00 8.86 C ATOM 20 CG LYS A 2 -24.329 -1.382 6.592 1.00 9.97 C ATOM 21 CD LYS A 2 -25.060 -0.112 6.142 1.00 11.19 C ATOM 22 CE LYS A 2 -25.119 0.896 7.292 1.00 11.96 C ATOM 23 NZ LYS A 2 -25.780 2.153 6.879 1.00 13.14 N ATOM 0 H LYS A 2 -22.402 0.418 5.055 1.00 8.25 H new ATOM 0 HA LYS A 2 -21.715 -1.744 6.759 1.00 7.74 H new ATOM 0 HB2 LYS A 2 -23.743 -1.569 4.526 1.00 8.86 H new ATOM 0 HB3 LYS A 2 -23.499 -3.025 5.470 1.00 8.86 H new ATOM 0 HG2 LYS A 2 -25.060 -2.141 6.872 1.00 9.97 H new ATOM 0 HG3 LYS A 2 -23.739 -1.164 7.482 1.00 9.97 H new ATOM 0 HD2 LYS A 2 -24.547 0.329 5.288 1.00 11.19 H new ATOM 0 HD3 LYS A 2 -26.069 -0.361 5.814 1.00 11.19 H new ATOM 0 HE2 LYS A 2 -25.659 0.459 8.132 1.00 11.96 H new ATOM 0 HE3 LYS A 2 -24.109 1.112 7.640 1.00 11.96 H new ATOM 0 HZ1 LYS A 2 -25.803 2.813 7.682 1.00 13.14 H new ATOM 0 HZ2 LYS A 2 -25.251 2.582 6.093 1.00 13.14 H new ATOM 0 HZ3 LYS A 2 -26.752 1.949 6.571 1.00 13.14 H new ATOM 37 N ASP A 3 -20.931 -1.928 3.549 1.00 6.25 N ATOM 38 CA ASP A 3 -19.987 -2.465 2.590 1.00 5.28 C ATOM 39 C ASP A 3 -18.566 -2.087 3.002 1.00 4.42 C ATOM 40 O ASP A 3 -18.354 -1.397 3.998 1.00 5.08 O ATOM 41 CB ASP A 3 -20.308 -1.909 1.189 1.00 6.00 C ATOM 42 CG ASP A 3 -20.630 -3.007 0.182 1.00 6.73 C ATOM 43 OD1 ASP A 3 -20.164 -4.146 0.408 1.00 6.64 O ATOM 44 OD2 ASP A 3 -21.321 -2.681 -0.806 1.00 7.94 O ATOM 0 H ASP A 3 -21.486 -1.154 3.185 1.00 6.25 H new ATOM 0 HA ASP A 3 -20.066 -3.552 2.565 1.00 5.28 H new ATOM 0 HB2 ASP A 3 -21.154 -1.225 1.259 1.00 6.00 H new ATOM 0 HB3 ASP A 3 -19.458 -1.329 0.829 1.00 6.00 H new ATOM 49 N VAL A 4 -17.581 -2.505 2.212 1.00 3.19 N ATOM 50 CA VAL A 4 -16.187 -2.231 2.486 1.00 2.55 C ATOM 51 C VAL A 4 -15.727 -1.215 1.440 1.00 1.91 C ATOM 52 O VAL A 4 -16.404 -0.224 1.177 1.00 2.42 O ATOM 53 CB VAL A 4 -15.408 -3.561 2.508 1.00 2.17 C ATOM 54 CG1 VAL A 4 -14.063 -3.410 3.232 1.00 2.60 C ATOM 55 CG2 VAL A 4 -16.194 -4.701 3.174 1.00 2.80 C ATOM 0 H VAL A 4 -17.736 -3.046 1.361 1.00 3.19 H new ATOM 0 HA VAL A 4 -16.008 -1.789 3.466 1.00 2.55 H new ATOM 0 HB VAL A 4 -15.243 -3.818 1.462 1.00 2.17 H new ATOM 0 HG11 VAL A 4 -13.539 -4.366 3.230 1.00 2.60 H new ATOM 0 HG12 VAL A 4 -13.456 -2.663 2.721 1.00 2.60 H new ATOM 0 HG13 VAL A 4 -14.237 -3.094 4.261 1.00 2.60 H new ATOM 0 HG21 VAL A 4 -15.596 -5.612 3.160 1.00 2.80 H new ATOM 0 HG22 VAL A 4 -16.422 -4.432 4.205 1.00 2.80 H new ATOM 0 HG23 VAL A 4 -17.123 -4.869 2.629 1.00 2.80 H new ATOM 65 N LYS A 5 -14.568 -1.443 0.838 1.00 1.19 N ATOM 66 CA LYS A 5 -14.026 -0.615 -0.222 1.00 0.69 C ATOM 67 C LYS A 5 -13.396 -1.558 -1.223 1.00 0.83 C ATOM 68 O LYS A 5 -12.448 -2.249 -0.874 1.00 2.64 O ATOM 69 CB LYS A 5 -12.983 0.351 0.348 1.00 0.90 C ATOM 70 CG LYS A 5 -13.458 1.804 0.314 1.00 1.45 C ATOM 71 CD LYS A 5 -14.158 2.277 1.595 1.00 1.84 C ATOM 72 CE LYS A 5 -13.313 3.392 2.227 1.00 3.09 C ATOM 73 NZ LYS A 5 -12.314 2.864 3.179 1.00 4.71 N ATOM 0 H LYS A 5 -13.966 -2.230 1.082 1.00 1.19 H new ATOM 0 HA LYS A 5 -14.801 -0.011 -0.695 1.00 0.69 H new ATOM 0 HB2 LYS A 5 -12.754 0.070 1.376 1.00 0.90 H new ATOM 0 HB3 LYS A 5 -12.058 0.260 -0.221 1.00 0.90 H new ATOM 0 HG2 LYS A 5 -12.600 2.449 0.125 1.00 1.45 H new ATOM 0 HG3 LYS A 5 -14.142 1.930 -0.526 1.00 1.45 H new ATOM 0 HD2 LYS A 5 -15.159 2.643 1.367 1.00 1.84 H new ATOM 0 HD3 LYS A 5 -14.273 1.447 2.292 1.00 1.84 H new ATOM 0 HE2 LYS A 5 -12.804 3.950 1.441 1.00 3.09 H new ATOM 0 HE3 LYS A 5 -13.968 4.094 2.743 1.00 3.09 H new ATOM 0 HZ1 LYS A 5 -11.767 3.652 3.581 1.00 4.71 H new ATOM 0 HZ2 LYS A 5 -12.799 2.354 3.944 1.00 4.71 H new ATOM 0 HZ3 LYS A 5 -11.671 2.214 2.683 1.00 4.71 H new ATOM 87 N TYR A 6 -13.954 -1.657 -2.421 1.00 1.25 N ATOM 88 CA TYR A 6 -13.516 -2.579 -3.444 1.00 0.90 C ATOM 89 C TYR A 6 -13.049 -1.677 -4.571 1.00 0.75 C ATOM 90 O TYR A 6 -13.876 -1.049 -5.224 1.00 0.91 O ATOM 91 CB TYR A 6 -14.690 -3.475 -3.875 1.00 0.99 C ATOM 92 CG TYR A 6 -14.986 -4.669 -2.983 1.00 1.12 C ATOM 93 CD1 TYR A 6 -15.123 -4.528 -1.587 1.00 2.22 C ATOM 94 CD2 TYR A 6 -15.167 -5.936 -3.568 1.00 1.95 C ATOM 95 CE1 TYR A 6 -15.388 -5.647 -0.780 1.00 2.43 C ATOM 96 CE2 TYR A 6 -15.485 -7.048 -2.771 1.00 2.17 C ATOM 97 CZ TYR A 6 -15.572 -6.913 -1.369 1.00 1.76 C ATOM 98 OH TYR A 6 -15.817 -8.003 -0.587 1.00 2.13 O ATOM 0 H TYR A 6 -14.744 -1.081 -2.710 1.00 1.25 H new ATOM 0 HA TYR A 6 -12.727 -3.256 -3.116 1.00 0.90 H new ATOM 0 HB2 TYR A 6 -15.588 -2.859 -3.932 1.00 0.99 H new ATOM 0 HB3 TYR A 6 -14.490 -3.841 -4.882 1.00 0.99 H new ATOM 0 HD1 TYR A 6 -15.023 -3.552 -1.135 1.00 2.22 H new ATOM 0 HD2 TYR A 6 -15.061 -6.054 -4.636 1.00 1.95 H new ATOM 0 HE1 TYR A 6 -15.451 -5.536 0.292 1.00 2.43 H new ATOM 0 HE2 TYR A 6 -15.663 -8.008 -3.232 1.00 2.17 H new ATOM 0 HH TYR A 6 -16.142 -8.740 -1.145 1.00 2.13 H new ATOM 108 N TYR A 7 -11.738 -1.553 -4.762 1.00 0.53 N ATOM 109 CA TYR A 7 -11.167 -0.721 -5.782 1.00 0.46 C ATOM 110 C TYR A 7 -10.508 -1.606 -6.834 1.00 0.42 C ATOM 111 O TYR A 7 -10.058 -2.714 -6.542 1.00 0.44 O ATOM 112 CB TYR A 7 -10.154 0.178 -5.087 1.00 0.40 C ATOM 113 CG TYR A 7 -10.760 1.279 -4.240 1.00 0.45 C ATOM 114 CD1 TYR A 7 -11.581 2.254 -4.836 1.00 2.09 C ATOM 115 CD2 TYR A 7 -10.479 1.355 -2.865 1.00 1.67 C ATOM 116 CE1 TYR A 7 -12.061 3.343 -4.091 1.00 2.17 C ATOM 117 CE2 TYR A 7 -10.988 2.421 -2.104 1.00 1.67 C ATOM 118 CZ TYR A 7 -11.758 3.432 -2.714 1.00 0.71 C ATOM 119 OH TYR A 7 -12.130 4.517 -1.979 1.00 0.89 O ATOM 0 H TYR A 7 -11.044 -2.041 -4.196 1.00 0.53 H new ATOM 0 HA TYR A 7 -11.914 -0.113 -6.292 1.00 0.46 H new ATOM 0 HB2 TYR A 7 -9.515 -0.439 -4.454 1.00 0.40 H new ATOM 0 HB3 TYR A 7 -9.512 0.631 -5.843 1.00 0.40 H new ATOM 0 HD1 TYR A 7 -11.845 2.164 -5.879 1.00 2.09 H new ATOM 0 HD2 TYR A 7 -9.873 0.595 -2.394 1.00 1.67 H new ATOM 0 HE1 TYR A 7 -12.658 4.107 -4.567 1.00 2.17 H new ATOM 0 HE2 TYR A 7 -10.788 2.466 -1.044 1.00 1.67 H new ATOM 0 HH TYR A 7 -11.836 4.400 -1.051 1.00 0.89 H new ATOM 129 N THR A 8 -10.438 -1.114 -8.066 1.00 0.57 N ATOM 130 CA THR A 8 -9.860 -1.830 -9.189 1.00 0.71 C ATOM 131 C THR A 8 -8.415 -1.407 -9.354 1.00 0.72 C ATOM 132 O THR A 8 -8.078 -0.280 -9.012 1.00 0.67 O ATOM 133 CB THR A 8 -10.650 -1.449 -10.442 1.00 0.89 C ATOM 134 OG1 THR A 8 -10.882 -0.053 -10.430 1.00 0.89 O ATOM 135 CG2 THR A 8 -11.982 -2.185 -10.429 1.00 1.06 C ATOM 0 H THR A 8 -10.789 -0.189 -8.313 1.00 0.57 H new ATOM 0 HA THR A 8 -9.902 -2.907 -9.026 1.00 0.71 H new ATOM 0 HB THR A 8 -10.091 -1.721 -11.337 1.00 0.89 H new ATOM 0 HG1 THR A 8 -11.387 0.202 -11.231 1.00 0.89 H new ATOM 0 HG21 THR A 8 -12.553 -1.920 -11.319 1.00 1.06 H new ATOM 0 HG22 THR A 8 -11.803 -3.260 -10.419 1.00 1.06 H new ATOM 0 HG23 THR A 8 -12.545 -1.903 -9.539 1.00 1.06 H new ATOM 143 N LEU A 9 -7.567 -2.266 -9.930 1.00 0.84 N ATOM 144 CA LEU A 9 -6.152 -1.951 -10.113 1.00 0.88 C ATOM 145 C LEU A 9 -5.981 -0.594 -10.779 1.00 0.88 C ATOM 146 O LEU A 9 -5.171 0.206 -10.327 1.00 0.80 O ATOM 147 CB LEU A 9 -5.410 -3.047 -10.885 1.00 1.10 C ATOM 148 CG LEU A 9 -5.500 -4.440 -10.244 1.00 1.18 C ATOM 149 CD1 LEU A 9 -5.351 -4.371 -8.725 1.00 1.28 C ATOM 150 CD2 LEU A 9 -6.814 -5.147 -10.592 1.00 1.27 C ATOM 0 H LEU A 9 -7.840 -3.186 -10.277 1.00 0.84 H new ATOM 0 HA LEU A 9 -5.701 -1.904 -9.122 1.00 0.88 H new ATOM 0 HB2 LEU A 9 -5.812 -3.098 -11.897 1.00 1.10 H new ATOM 0 HB3 LEU A 9 -4.360 -2.767 -10.973 1.00 1.10 H new ATOM 0 HG LEU A 9 -4.673 -5.018 -10.656 1.00 1.18 H new ATOM 0 HD11 LEU A 9 -5.420 -5.375 -8.307 1.00 1.28 H new ATOM 0 HD12 LEU A 9 -4.382 -3.939 -8.474 1.00 1.28 H new ATOM 0 HD13 LEU A 9 -6.144 -3.750 -8.309 1.00 1.28 H new ATOM 0 HD21 LEU A 9 -6.836 -6.128 -10.118 1.00 1.27 H new ATOM 0 HD22 LEU A 9 -7.654 -4.552 -10.233 1.00 1.27 H new ATOM 0 HD23 LEU A 9 -6.889 -5.264 -11.673 1.00 1.27 H new ATOM 162 N GLU A 10 -6.773 -0.321 -11.818 1.00 1.01 N ATOM 163 CA GLU A 10 -6.807 0.967 -12.502 1.00 1.04 C ATOM 164 C GLU A 10 -7.005 2.131 -11.524 1.00 0.91 C ATOM 165 O GLU A 10 -6.294 3.129 -11.610 1.00 0.94 O ATOM 166 CB GLU A 10 -7.913 0.931 -13.566 1.00 1.24 C ATOM 167 CG GLU A 10 -7.328 0.474 -14.905 1.00 1.96 C ATOM 168 CD GLU A 10 -8.424 0.231 -15.942 1.00 2.29 C ATOM 169 OE1 GLU A 10 -9.229 1.163 -16.154 1.00 2.25 O ATOM 170 OE2 GLU A 10 -8.436 -0.888 -16.500 1.00 3.46 O ATOM 0 H GLU A 10 -7.420 -1.004 -12.213 1.00 1.01 H new ATOM 0 HA GLU A 10 -5.844 1.138 -12.984 1.00 1.04 H new ATOM 0 HB2 GLU A 10 -8.708 0.253 -13.255 1.00 1.24 H new ATOM 0 HB3 GLU A 10 -8.361 1.919 -13.672 1.00 1.24 H new ATOM 0 HG2 GLU A 10 -6.635 1.229 -15.277 1.00 1.96 H new ATOM 0 HG3 GLU A 10 -6.754 -0.441 -14.759 1.00 1.96 H new ATOM 177 N GLU A 11 -7.931 2.001 -10.574 1.00 0.82 N ATOM 178 CA GLU A 11 -8.164 3.024 -9.565 1.00 0.75 C ATOM 179 C GLU A 11 -6.940 3.166 -8.665 1.00 0.58 C ATOM 180 O GLU A 11 -6.502 4.282 -8.402 1.00 0.55 O ATOM 181 CB GLU A 11 -9.395 2.670 -8.723 1.00 0.75 C ATOM 182 CG GLU A 11 -9.725 3.761 -7.694 1.00 1.13 C ATOM 183 CD GLU A 11 -10.547 4.913 -8.275 1.00 1.01 C ATOM 184 OE1 GLU A 11 -10.281 5.299 -9.438 1.00 2.17 O ATOM 185 OE2 GLU A 11 -11.455 5.386 -7.557 1.00 1.58 O ATOM 0 H GLU A 11 -8.537 1.185 -10.486 1.00 0.82 H new ATOM 0 HA GLU A 11 -8.344 3.974 -10.069 1.00 0.75 H new ATOM 0 HB2 GLU A 11 -10.252 2.521 -9.380 1.00 0.75 H new ATOM 0 HB3 GLU A 11 -9.221 1.726 -8.207 1.00 0.75 H new ATOM 0 HG2 GLU A 11 -10.274 3.314 -6.865 1.00 1.13 H new ATOM 0 HG3 GLU A 11 -8.796 4.157 -7.285 1.00 1.13 H new ATOM 192 N ILE A 12 -6.345 2.068 -8.189 1.00 0.48 N ATOM 193 CA ILE A 12 -5.151 2.182 -7.366 1.00 0.41 C ATOM 194 C ILE A 12 -4.034 2.897 -8.136 1.00 0.44 C ATOM 195 O ILE A 12 -3.293 3.696 -7.564 1.00 0.43 O ATOM 196 CB ILE A 12 -4.741 0.784 -6.879 1.00 0.46 C ATOM 197 CG1 ILE A 12 -5.833 0.253 -5.937 1.00 0.46 C ATOM 198 CG2 ILE A 12 -3.420 0.818 -6.109 1.00 0.56 C ATOM 199 CD1 ILE A 12 -6.687 -0.878 -6.504 1.00 0.63 C ATOM 0 H ILE A 12 -6.665 1.114 -8.357 1.00 0.48 H new ATOM 0 HA ILE A 12 -5.355 2.793 -6.487 1.00 0.41 H new ATOM 0 HB ILE A 12 -4.617 0.143 -7.752 1.00 0.46 H new ATOM 0 HG12 ILE A 12 -5.360 -0.096 -5.019 1.00 0.46 H new ATOM 0 HG13 ILE A 12 -6.489 1.080 -5.664 1.00 0.46 H new ATOM 0 HG21 ILE A 12 -3.164 -0.189 -5.781 1.00 0.56 H new ATOM 0 HG22 ILE A 12 -2.631 1.200 -6.757 1.00 0.56 H new ATOM 0 HG23 ILE A 12 -3.522 1.467 -5.240 1.00 0.56 H new ATOM 0 HD11 ILE A 12 -7.427 -1.182 -5.763 1.00 0.63 H new ATOM 0 HD12 ILE A 12 -7.195 -0.534 -7.405 1.00 0.63 H new ATOM 0 HD13 ILE A 12 -6.050 -1.727 -6.749 1.00 0.63 H new ATOM 211 N LYS A 13 -3.958 2.693 -9.452 1.00 0.49 N ATOM 212 CA LYS A 13 -2.967 3.319 -10.326 1.00 0.59 C ATOM 213 C LYS A 13 -3.287 4.797 -10.588 1.00 0.69 C ATOM 214 O LYS A 13 -2.524 5.479 -11.267 1.00 0.99 O ATOM 215 CB LYS A 13 -2.863 2.494 -11.620 1.00 0.68 C ATOM 216 CG LYS A 13 -2.278 1.100 -11.310 1.00 1.07 C ATOM 217 CD LYS A 13 -2.894 -0.031 -12.142 1.00 0.99 C ATOM 218 CE LYS A 13 -2.144 -0.317 -13.438 1.00 1.40 C ATOM 219 NZ LYS A 13 -2.847 -1.361 -14.217 1.00 2.05 N ATOM 0 H LYS A 13 -4.598 2.074 -9.950 1.00 0.49 H new ATOM 0 HA LYS A 13 -1.994 3.321 -9.834 1.00 0.59 H new ATOM 0 HB2 LYS A 13 -3.848 2.391 -12.076 1.00 0.68 H new ATOM 0 HB3 LYS A 13 -2.230 3.011 -12.341 1.00 0.68 H new ATOM 0 HG2 LYS A 13 -1.202 1.121 -11.484 1.00 1.07 H new ATOM 0 HG3 LYS A 13 -2.426 0.882 -10.252 1.00 1.07 H new ATOM 0 HD2 LYS A 13 -2.921 -0.939 -11.540 1.00 0.99 H new ATOM 0 HD3 LYS A 13 -3.927 0.225 -12.379 1.00 0.99 H new ATOM 0 HE2 LYS A 13 -2.064 0.595 -14.029 1.00 1.40 H new ATOM 0 HE3 LYS A 13 -1.128 -0.642 -13.214 1.00 1.40 H new ATOM 0 HZ1 LYS A 13 -2.326 -1.547 -15.098 1.00 2.05 H new ATOM 0 HZ2 LYS A 13 -2.902 -2.235 -13.656 1.00 2.05 H new ATOM 0 HZ3 LYS A 13 -3.808 -1.036 -14.445 1.00 2.05 H new ATOM 233 N LYS A 14 -4.374 5.317 -10.012 1.00 0.62 N ATOM 234 CA LYS A 14 -4.776 6.720 -10.017 1.00 0.70 C ATOM 235 C LYS A 14 -4.508 7.372 -8.661 1.00 0.64 C ATOM 236 O LYS A 14 -4.576 8.588 -8.546 1.00 0.95 O ATOM 237 CB LYS A 14 -6.267 6.805 -10.416 1.00 0.82 C ATOM 238 CG LYS A 14 -7.129 7.749 -9.556 1.00 1.78 C ATOM 239 CD LYS A 14 -8.589 7.709 -10.002 1.00 2.08 C ATOM 240 CE LYS A 14 -8.899 8.900 -10.904 1.00 2.85 C ATOM 241 NZ LYS A 14 -10.080 8.627 -11.748 1.00 3.26 N ATOM 0 H LYS A 14 -5.034 4.732 -9.500 1.00 0.62 H new ATOM 0 HA LYS A 14 -4.184 7.273 -10.746 1.00 0.70 H new ATOM 0 HB2 LYS A 14 -6.330 7.129 -11.455 1.00 0.82 H new ATOM 0 HB3 LYS A 14 -6.696 5.804 -10.368 1.00 0.82 H new ATOM 0 HG2 LYS A 14 -7.057 7.460 -8.507 1.00 1.78 H new ATOM 0 HG3 LYS A 14 -6.748 8.767 -9.633 1.00 1.78 H new ATOM 0 HD2 LYS A 14 -8.789 6.779 -10.534 1.00 2.08 H new ATOM 0 HD3 LYS A 14 -9.243 7.724 -9.130 1.00 2.08 H new ATOM 0 HE2 LYS A 14 -9.079 9.786 -10.295 1.00 2.85 H new ATOM 0 HE3 LYS A 14 -8.038 9.117 -11.536 1.00 2.85 H new ATOM 0 HZ1 LYS A 14 -10.272 9.451 -12.353 1.00 3.26 H new ATOM 0 HZ2 LYS A 14 -9.896 7.795 -12.344 1.00 3.26 H new ATOM 0 HZ3 LYS A 14 -10.905 8.443 -11.142 1.00 3.26 H new ATOM 255 N HIS A 15 -4.166 6.617 -7.620 1.00 0.53 N ATOM 256 CA HIS A 15 -3.840 7.206 -6.330 1.00 0.66 C ATOM 257 C HIS A 15 -2.317 7.384 -6.201 1.00 0.88 C ATOM 258 O HIS A 15 -1.797 7.818 -5.175 1.00 2.32 O ATOM 259 CB HIS A 15 -4.522 6.359 -5.257 1.00 0.91 C ATOM 260 CG HIS A 15 -6.006 6.633 -5.190 1.00 0.77 C ATOM 261 ND1 HIS A 15 -6.627 7.711 -4.589 1.00 1.06 N ATOM 262 CD2 HIS A 15 -6.988 5.846 -5.724 1.00 0.79 C ATOM 263 CE1 HIS A 15 -7.952 7.553 -4.753 1.00 1.11 C ATOM 264 NE2 HIS A 15 -8.220 6.442 -5.449 1.00 0.93 N ATOM 0 H HIS A 15 -4.108 5.599 -7.647 1.00 0.53 H new ATOM 0 HA HIS A 15 -4.223 8.219 -6.209 1.00 0.66 H new ATOM 0 HB2 HIS A 15 -4.356 5.302 -5.467 1.00 0.91 H new ATOM 0 HB3 HIS A 15 -4.069 6.566 -4.287 1.00 0.91 H new ATOM 0 HD2 HIS A 15 -6.837 4.923 -6.265 1.00 0.79 H new ATOM 0 HE1 HIS A 15 -8.701 8.233 -4.373 1.00 1.11 H new ATOM 0 HE2 HIS A 15 -9.141 6.099 -5.724 1.00 0.93 H new ATOM 272 N ASN A 16 -1.575 7.126 -7.278 1.00 1.11 N ATOM 273 CA ASN A 16 -0.150 7.390 -7.346 1.00 1.09 C ATOM 274 C ASN A 16 0.073 8.871 -7.637 1.00 1.37 C ATOM 275 O ASN A 16 0.224 9.259 -8.794 1.00 2.27 O ATOM 276 CB ASN A 16 0.478 6.512 -8.432 1.00 1.11 C ATOM 277 CG ASN A 16 1.886 6.977 -8.771 1.00 1.99 C ATOM 278 OD1 ASN A 16 2.732 7.111 -7.896 1.00 3.13 O ATOM 279 ND2 ASN A 16 2.133 7.282 -10.037 1.00 3.10 N ATOM 0 H ASN A 16 -1.957 6.723 -8.134 1.00 1.11 H new ATOM 0 HA ASN A 16 0.325 7.150 -6.395 1.00 1.09 H new ATOM 0 HB2 ASN A 16 0.506 5.476 -8.094 1.00 1.11 H new ATOM 0 HB3 ASN A 16 -0.142 6.539 -9.328 1.00 1.11 H new ATOM 0 HD21 ASN A 16 3.050 7.640 -10.306 1.00 3.10 H new ATOM 0 HD22 ASN A 16 1.407 7.159 -10.742 1.00 3.10 H new ATOM 286 N HIS A 17 0.091 9.710 -6.599 1.00 0.95 N ATOM 287 CA HIS A 17 0.476 11.103 -6.765 1.00 1.17 C ATOM 288 C HIS A 17 1.383 11.512 -5.610 1.00 1.52 C ATOM 289 O HIS A 17 2.547 11.832 -5.832 1.00 3.02 O ATOM 290 CB HIS A 17 -0.769 11.987 -6.887 1.00 1.02 C ATOM 291 CG HIS A 17 -1.556 11.723 -8.147 1.00 1.50 C ATOM 292 ND1 HIS A 17 -1.271 12.229 -9.398 1.00 2.79 N ATOM 293 CD2 HIS A 17 -2.632 10.884 -8.275 1.00 1.37 C ATOM 294 CE1 HIS A 17 -2.166 11.708 -10.257 1.00 3.42 C ATOM 295 NE2 HIS A 17 -3.021 10.903 -9.616 1.00 2.55 N ATOM 0 H HIS A 17 -0.155 9.447 -5.645 1.00 0.95 H new ATOM 0 HA HIS A 17 1.039 11.234 -7.689 1.00 1.17 H new ATOM 0 HB2 HIS A 17 -1.412 11.822 -6.022 1.00 1.02 H new ATOM 0 HB3 HIS A 17 -0.468 13.034 -6.865 1.00 1.02 H new ATOM 0 HD2 HIS A 17 -3.094 10.313 -7.484 1.00 1.37 H new ATOM 0 HE1 HIS A 17 -2.191 11.912 -11.317 1.00 3.42 H new ATOM 0 HE2 HIS A 17 -3.807 10.400 -10.028 1.00 2.55 H new ATOM 303 N SER A 18 0.846 11.485 -4.387 1.00 1.44 N ATOM 304 CA SER A 18 1.510 11.833 -3.128 1.00 1.63 C ATOM 305 C SER A 18 0.451 12.044 -2.047 1.00 1.59 C ATOM 306 O SER A 18 0.567 11.518 -0.944 1.00 2.78 O ATOM 307 CB SER A 18 2.387 13.089 -3.267 1.00 1.80 C ATOM 308 OG SER A 18 3.724 12.716 -3.524 1.00 2.93 O ATOM 0 H SER A 18 -0.123 11.202 -4.241 1.00 1.44 H new ATOM 0 HA SER A 18 2.170 11.011 -2.851 1.00 1.63 H new ATOM 0 HB2 SER A 18 2.013 13.716 -4.076 1.00 1.80 H new ATOM 0 HB3 SER A 18 2.335 13.682 -2.354 1.00 1.80 H new ATOM 0 HG SER A 18 3.777 12.269 -4.395 1.00 2.93 H new ATOM 314 N LYS A 19 -0.642 12.735 -2.395 1.00 0.94 N ATOM 315 CA LYS A 19 -1.750 13.007 -1.472 1.00 0.93 C ATOM 316 C LYS A 19 -2.723 11.833 -1.354 1.00 0.90 C ATOM 317 O LYS A 19 -3.785 11.967 -0.757 1.00 1.44 O ATOM 318 CB LYS A 19 -2.506 14.275 -1.888 1.00 1.21 C ATOM 319 CG LYS A 19 -3.172 14.139 -3.265 1.00 2.93 C ATOM 320 CD LYS A 19 -4.092 15.340 -3.514 1.00 3.44 C ATOM 321 CE LYS A 19 -4.394 15.545 -5.003 1.00 5.19 C ATOM 322 NZ LYS A 19 -3.164 15.796 -5.787 1.00 6.25 N ATOM 0 H LYS A 19 -0.783 13.122 -3.328 1.00 0.94 H new ATOM 0 HA LYS A 19 -1.303 13.158 -0.489 1.00 0.93 H new ATOM 0 HB2 LYS A 19 -3.267 14.502 -1.141 1.00 1.21 H new ATOM 0 HB3 LYS A 19 -1.814 15.117 -1.904 1.00 1.21 H new ATOM 0 HG2 LYS A 19 -2.411 14.083 -4.044 1.00 2.93 H new ATOM 0 HG3 LYS A 19 -3.745 13.213 -3.313 1.00 2.93 H new ATOM 0 HD2 LYS A 19 -5.027 15.196 -2.973 1.00 3.44 H new ATOM 0 HD3 LYS A 19 -3.626 16.240 -3.113 1.00 3.44 H new ATOM 0 HE2 LYS A 19 -4.901 14.663 -5.395 1.00 5.19 H new ATOM 0 HE3 LYS A 19 -5.078 16.385 -5.122 1.00 5.19 H new ATOM 0 HZ1 LYS A 19 -3.408 16.300 -6.664 1.00 6.25 H new ATOM 0 HZ2 LYS A 19 -2.507 16.375 -5.226 1.00 6.25 H new ATOM 0 HZ3 LYS A 19 -2.712 14.890 -6.023 1.00 6.25 H new ATOM 336 N SER A 20 -2.390 10.711 -1.982 1.00 0.65 N ATOM 337 CA SER A 20 -3.164 9.490 -1.975 1.00 0.66 C ATOM 338 C SER A 20 -2.222 8.308 -2.158 1.00 0.68 C ATOM 339 O SER A 20 -2.691 7.289 -2.618 1.00 1.67 O ATOM 340 CB SER A 20 -4.201 9.512 -3.109 1.00 0.95 C ATOM 341 OG SER A 20 -5.432 10.076 -2.709 1.00 1.46 O ATOM 0 H SER A 20 -1.535 10.631 -2.532 1.00 0.65 H new ATOM 0 HA SER A 20 -3.691 9.399 -1.025 1.00 0.66 H new ATOM 0 HB2 SER A 20 -3.802 10.079 -3.950 1.00 0.95 H new ATOM 0 HB3 SER A 20 -4.369 8.495 -3.462 1.00 0.95 H new ATOM 0 HG SER A 20 -6.168 9.589 -3.134 1.00 1.46 H new ATOM 347 N THR A 21 -0.928 8.424 -1.829 1.00 0.62 N ATOM 348 CA THR A 21 0.048 7.337 -1.855 1.00 0.47 C ATOM 349 C THR A 21 -0.562 6.002 -1.431 1.00 0.43 C ATOM 350 O THR A 21 -0.557 5.637 -0.256 1.00 0.48 O ATOM 351 CB THR A 21 1.233 7.717 -0.967 1.00 0.47 C ATOM 352 OG1 THR A 21 1.779 8.907 -1.497 1.00 0.64 O ATOM 353 CG2 THR A 21 2.300 6.616 -0.898 1.00 0.51 C ATOM 0 H THR A 21 -0.523 9.310 -1.528 1.00 0.62 H new ATOM 0 HA THR A 21 0.390 7.198 -2.881 1.00 0.47 H new ATOM 0 HB THR A 21 0.888 7.856 0.058 1.00 0.47 H new ATOM 0 HG1 THR A 21 1.320 9.680 -1.106 1.00 0.64 H new ATOM 0 HG21 THR A 21 3.117 6.941 -0.254 1.00 0.51 H new ATOM 0 HG22 THR A 21 1.858 5.706 -0.492 1.00 0.51 H new ATOM 0 HG23 THR A 21 2.684 6.418 -1.899 1.00 0.51 H new ATOM 361 N TRP A 22 -1.107 5.284 -2.408 1.00 0.47 N ATOM 362 CA TRP A 22 -1.705 3.985 -2.224 1.00 0.41 C ATOM 363 C TRP A 22 -0.700 2.980 -2.699 1.00 0.36 C ATOM 364 O TRP A 22 0.342 3.354 -3.219 1.00 0.40 O ATOM 365 CB TRP A 22 -2.995 3.889 -3.032 1.00 0.50 C ATOM 366 CG TRP A 22 -4.194 4.459 -2.355 1.00 0.42 C ATOM 367 CD1 TRP A 22 -4.193 5.269 -1.275 1.00 0.41 C ATOM 368 CD2 TRP A 22 -5.589 4.263 -2.700 1.00 0.41 C ATOM 369 NE1 TRP A 22 -5.485 5.624 -0.955 1.00 0.39 N ATOM 370 CE2 TRP A 22 -6.385 5.073 -1.839 1.00 0.42 C ATOM 371 CE3 TRP A 22 -6.253 3.490 -3.671 1.00 0.45 C ATOM 372 CZ2 TRP A 22 -7.774 5.169 -1.985 1.00 0.48 C ATOM 373 CZ3 TRP A 22 -7.649 3.557 -3.812 1.00 0.49 C ATOM 374 CH2 TRP A 22 -8.398 4.418 -2.994 1.00 0.51 C ATOM 0 H TRP A 22 -1.141 5.608 -3.375 1.00 0.47 H new ATOM 0 HA TRP A 22 -1.962 3.806 -1.180 1.00 0.41 H new ATOM 0 HB2 TRP A 22 -2.852 4.403 -3.983 1.00 0.50 H new ATOM 0 HB3 TRP A 22 -3.187 2.841 -3.262 1.00 0.50 H new ATOM 0 HD1 TRP A 22 -3.311 5.591 -0.741 1.00 0.41 H new ATOM 0 HE1 TRP A 22 -5.741 6.218 -0.166 1.00 0.39 H new ATOM 0 HE3 TRP A 22 -5.682 2.838 -4.315 1.00 0.45 H new ATOM 0 HZ2 TRP A 22 -8.354 5.808 -1.335 1.00 0.48 H new ATOM 0 HZ3 TRP A 22 -8.147 2.946 -4.550 1.00 0.49 H new ATOM 0 HH2 TRP A 22 -9.464 4.503 -3.142 1.00 0.51 H new ATOM 385 N LEU A 23 -0.990 1.706 -2.512 1.00 0.35 N ATOM 386 CA LEU A 23 -0.168 0.618 -2.986 1.00 0.35 C ATOM 387 C LEU A 23 -0.912 -0.668 -2.696 1.00 0.42 C ATOM 388 O LEU A 23 -1.915 -0.662 -1.989 1.00 0.50 O ATOM 389 CB LEU A 23 1.253 0.718 -2.403 1.00 0.34 C ATOM 390 CG LEU A 23 1.319 1.075 -0.908 1.00 0.47 C ATOM 391 CD1 LEU A 23 1.114 -0.156 -0.051 1.00 0.63 C ATOM 392 CD2 LEU A 23 2.686 1.703 -0.610 1.00 0.57 C ATOM 0 H LEU A 23 -1.824 1.396 -2.014 1.00 0.35 H new ATOM 0 HA LEU A 23 -0.003 0.655 -4.063 1.00 0.35 H new ATOM 0 HB2 LEU A 23 1.760 -0.235 -2.556 1.00 0.34 H new ATOM 0 HB3 LEU A 23 1.808 1.469 -2.965 1.00 0.34 H new ATOM 0 HG LEU A 23 0.525 1.783 -0.673 1.00 0.47 H new ATOM 0 HD11 LEU A 23 1.165 0.121 1.002 1.00 0.63 H new ATOM 0 HD12 LEU A 23 0.137 -0.590 -0.265 1.00 0.63 H new ATOM 0 HD13 LEU A 23 1.892 -0.887 -0.272 1.00 0.63 H new ATOM 0 HD21 LEU A 23 2.745 1.961 0.447 1.00 0.57 H new ATOM 0 HD22 LEU A 23 3.474 0.991 -0.855 1.00 0.57 H new ATOM 0 HD23 LEU A 23 2.811 2.604 -1.211 1.00 0.57 H new ATOM 404 N ILE A 24 -0.433 -1.778 -3.231 1.00 0.42 N ATOM 405 CA ILE A 24 -1.062 -3.060 -3.035 1.00 0.50 C ATOM 406 C ILE A 24 -0.079 -3.803 -2.141 1.00 0.61 C ATOM 407 O ILE A 24 1.063 -4.043 -2.541 1.00 0.73 O ATOM 408 CB ILE A 24 -1.282 -3.745 -4.396 1.00 0.54 C ATOM 409 CG1 ILE A 24 -2.197 -2.877 -5.277 1.00 0.52 C ATOM 410 CG2 ILE A 24 -1.911 -5.130 -4.217 1.00 0.70 C ATOM 411 CD1 ILE A 24 -1.825 -2.908 -6.758 1.00 1.75 C ATOM 0 H ILE A 24 0.404 -1.809 -3.813 1.00 0.42 H new ATOM 0 HA ILE A 24 -2.051 -3.014 -2.579 1.00 0.50 H new ATOM 0 HB ILE A 24 -0.311 -3.863 -4.878 1.00 0.54 H new ATOM 0 HG12 ILE A 24 -3.227 -3.216 -5.162 1.00 0.52 H new ATOM 0 HG13 ILE A 24 -2.159 -1.847 -4.922 1.00 0.52 H new ATOM 0 HG21 ILE A 24 -2.056 -5.593 -5.193 1.00 0.70 H new ATOM 0 HG22 ILE A 24 -1.251 -5.754 -3.614 1.00 0.70 H new ATOM 0 HG23 ILE A 24 -2.874 -5.030 -3.716 1.00 0.70 H new ATOM 0 HD11 ILE A 24 -2.512 -2.274 -7.319 1.00 1.75 H new ATOM 0 HD12 ILE A 24 -0.807 -2.541 -6.885 1.00 1.75 H new ATOM 0 HD13 ILE A 24 -1.891 -3.931 -7.128 1.00 1.75 H new ATOM 423 N LEU A 25 -0.484 -4.102 -0.909 1.00 0.68 N ATOM 424 CA LEU A 25 0.266 -4.959 -0.013 1.00 0.79 C ATOM 425 C LEU A 25 -0.573 -6.203 0.211 1.00 0.89 C ATOM 426 O LEU A 25 -1.411 -6.243 1.103 1.00 1.34 O ATOM 427 CB LEU A 25 0.606 -4.239 1.291 1.00 0.87 C ATOM 428 CG LEU A 25 1.758 -3.266 1.078 1.00 0.87 C ATOM 429 CD1 LEU A 25 1.876 -2.342 2.275 1.00 1.02 C ATOM 430 CD2 LEU A 25 3.085 -3.980 0.902 1.00 0.94 C ATOM 0 H LEU A 25 -1.352 -3.749 -0.507 1.00 0.68 H new ATOM 0 HA LEU A 25 1.227 -5.234 -0.447 1.00 0.79 H new ATOM 0 HB2 LEU A 25 -0.269 -3.701 1.655 1.00 0.87 H new ATOM 0 HB3 LEU A 25 0.874 -4.967 2.056 1.00 0.87 H new ATOM 0 HG LEU A 25 1.539 -2.706 0.169 1.00 0.87 H new ATOM 0 HD11 LEU A 25 2.701 -1.647 2.119 1.00 1.02 H new ATOM 0 HD12 LEU A 25 0.949 -1.782 2.395 1.00 1.02 H new ATOM 0 HD13 LEU A 25 2.063 -2.931 3.173 1.00 1.02 H new ATOM 0 HD21 LEU A 25 3.876 -3.245 0.753 1.00 0.94 H new ATOM 0 HD22 LEU A 25 3.301 -4.571 1.792 1.00 0.94 H new ATOM 0 HD23 LEU A 25 3.032 -4.637 0.034 1.00 0.94 H new ATOM 442 N HIS A 26 -0.344 -7.215 -0.619 1.00 0.67 N ATOM 443 CA HIS A 26 -0.861 -8.564 -0.484 1.00 0.64 C ATOM 444 C HIS A 26 -2.291 -8.592 -0.995 1.00 0.65 C ATOM 445 O HIS A 26 -3.222 -8.657 -0.201 1.00 1.21 O ATOM 446 CB HIS A 26 -0.765 -9.096 0.963 1.00 0.72 C ATOM 447 CG HIS A 26 0.581 -8.906 1.612 1.00 1.10 C ATOM 448 ND1 HIS A 26 1.719 -9.637 1.357 1.00 1.80 N ATOM 449 CD2 HIS A 26 0.905 -7.935 2.524 1.00 1.47 C ATOM 450 CE1 HIS A 26 2.710 -9.098 2.089 1.00 2.35 C ATOM 451 NE2 HIS A 26 2.264 -8.060 2.813 1.00 2.11 N ATOM 0 H HIS A 26 0.240 -7.106 -1.448 1.00 0.67 H new ATOM 0 HA HIS A 26 -0.243 -9.233 -1.083 1.00 0.64 H new ATOM 0 HB2 HIS A 26 -1.520 -8.598 1.570 1.00 0.72 H new ATOM 0 HB3 HIS A 26 -1.007 -10.159 0.962 1.00 0.72 H new ATOM 0 HD2 HIS A 26 0.229 -7.204 2.943 1.00 1.47 H new ATOM 0 HE1 HIS A 26 3.730 -9.453 2.094 1.00 2.35 H new ATOM 0 HE2 HIS A 26 2.810 -7.478 3.448 1.00 2.11 H new ATOM 459 N HIS A 27 -2.481 -8.612 -2.315 1.00 0.55 N ATOM 460 CA HIS A 27 -3.773 -8.496 -2.991 1.00 0.64 C ATOM 461 C HIS A 27 -4.825 -7.683 -2.213 1.00 0.62 C ATOM 462 O HIS A 27 -5.967 -8.116 -2.056 1.00 0.71 O ATOM 463 CB HIS A 27 -4.328 -9.893 -3.268 1.00 0.78 C ATOM 464 CG HIS A 27 -3.347 -10.853 -3.877 1.00 2.07 C ATOM 465 ND1 HIS A 27 -3.187 -11.101 -5.221 1.00 3.79 N ATOM 466 CD2 HIS A 27 -2.464 -11.642 -3.191 1.00 2.71 C ATOM 467 CE1 HIS A 27 -2.203 -12.008 -5.337 1.00 4.65 C ATOM 468 NE2 HIS A 27 -1.740 -12.374 -4.129 1.00 3.95 N ATOM 0 H HIS A 27 -1.705 -8.714 -2.970 1.00 0.55 H new ATOM 0 HA HIS A 27 -3.582 -7.949 -3.914 1.00 0.64 H new ATOM 0 HB2 HIS A 27 -4.694 -10.315 -2.332 1.00 0.78 H new ATOM 0 HB3 HIS A 27 -5.186 -9.802 -3.934 1.00 0.78 H new ATOM 0 HD1 HIS A 27 -3.715 -10.677 -5.984 1.00 3.79 H new ATOM 0 HD2 HIS A 27 -2.349 -11.689 -2.118 1.00 2.71 H new ATOM 0 HE1 HIS A 27 -1.833 -12.392 -6.276 1.00 4.65 H new ATOM 476 N LYS A 28 -4.433 -6.514 -1.702 1.00 0.58 N ATOM 477 CA LYS A 28 -5.261 -5.631 -0.888 1.00 0.54 C ATOM 478 C LYS A 28 -4.830 -4.203 -1.152 1.00 0.45 C ATOM 479 O LYS A 28 -3.698 -3.994 -1.573 1.00 0.47 O ATOM 480 CB LYS A 28 -5.024 -5.945 0.585 1.00 0.62 C ATOM 481 CG LYS A 28 -6.092 -6.901 1.117 1.00 0.92 C ATOM 482 CD LYS A 28 -5.595 -7.761 2.287 1.00 1.02 C ATOM 483 CE LYS A 28 -5.809 -9.251 2.010 1.00 1.88 C ATOM 484 NZ LYS A 28 -4.534 -9.955 1.769 1.00 3.15 N ATOM 0 H LYS A 28 -3.494 -6.145 -1.851 1.00 0.58 H new ATOM 0 HA LYS A 28 -6.314 -5.768 -1.132 1.00 0.54 H new ATOM 0 HB2 LYS A 28 -4.037 -6.389 0.712 1.00 0.62 H new ATOM 0 HB3 LYS A 28 -5.035 -5.022 1.164 1.00 0.62 H new ATOM 0 HG2 LYS A 28 -6.960 -6.325 1.439 1.00 0.92 H new ATOM 0 HG3 LYS A 28 -6.424 -7.553 0.309 1.00 0.92 H new ATOM 0 HD2 LYS A 28 -4.536 -7.569 2.458 1.00 1.02 H new ATOM 0 HD3 LYS A 28 -6.122 -7.479 3.199 1.00 1.02 H new ATOM 0 HE2 LYS A 28 -6.321 -9.708 2.857 1.00 1.88 H new ATOM 0 HE3 LYS A 28 -6.459 -9.369 1.143 1.00 1.88 H new ATOM 0 HZ1 LYS A 28 -4.719 -10.846 1.265 1.00 3.15 H new ATOM 0 HZ2 LYS A 28 -3.909 -9.355 1.193 1.00 3.15 H new ATOM 0 HZ3 LYS A 28 -4.074 -10.161 2.679 1.00 3.15 H new ATOM 498 N VAL A 29 -5.692 -3.231 -0.882 1.00 0.46 N ATOM 499 CA VAL A 29 -5.430 -1.841 -1.195 1.00 0.43 C ATOM 500 C VAL A 29 -5.066 -1.175 0.119 1.00 0.36 C ATOM 501 O VAL A 29 -5.828 -1.226 1.083 1.00 0.33 O ATOM 502 CB VAL A 29 -6.693 -1.235 -1.809 1.00 0.44 C ATOM 503 CG1 VAL A 29 -6.877 0.237 -1.497 1.00 0.81 C ATOM 504 CG2 VAL A 29 -6.883 -1.482 -3.298 1.00 0.78 C ATOM 0 H VAL A 29 -6.596 -3.391 -0.437 1.00 0.46 H new ATOM 0 HA VAL A 29 -4.621 -1.710 -1.913 1.00 0.43 H new ATOM 0 HB VAL A 29 -7.480 -1.795 -1.304 1.00 0.44 H new ATOM 0 HG11 VAL A 29 -7.793 0.597 -1.966 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -6.943 0.375 -0.418 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -6.027 0.800 -1.883 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -7.808 -1.010 -3.630 1.00 0.78 H new ATOM 0 HG22 VAL A 29 -6.042 -1.059 -3.847 1.00 0.78 H new ATOM 0 HG23 VAL A 29 -6.936 -2.555 -3.485 1.00 0.78 H new ATOM 514 N TYR A 30 -3.899 -0.553 0.143 1.00 0.45 N ATOM 515 CA TYR A 30 -3.309 0.099 1.274 1.00 0.42 C ATOM 516 C TYR A 30 -3.091 1.559 0.921 1.00 0.39 C ATOM 517 O TYR A 30 -2.981 1.912 -0.253 1.00 0.48 O ATOM 518 CB TYR A 30 -1.986 -0.600 1.550 1.00 0.53 C ATOM 519 CG TYR A 30 -2.091 -1.851 2.386 1.00 0.47 C ATOM 520 CD1 TYR A 30 -2.667 -3.026 1.871 1.00 1.80 C ATOM 521 CD2 TYR A 30 -1.563 -1.847 3.684 1.00 1.72 C ATOM 522 CE1 TYR A 30 -2.745 -4.178 2.675 1.00 1.73 C ATOM 523 CE2 TYR A 30 -1.679 -2.984 4.492 1.00 1.82 C ATOM 524 CZ TYR A 30 -2.300 -4.148 4.009 1.00 0.62 C ATOM 525 OH TYR A 30 -2.500 -5.217 4.829 1.00 0.84 O ATOM 0 H TYR A 30 -3.309 -0.493 -0.687 1.00 0.45 H new ATOM 0 HA TYR A 30 -3.942 0.049 2.160 1.00 0.42 H new ATOM 0 HB2 TYR A 30 -1.521 -0.855 0.598 1.00 0.53 H new ATOM 0 HB3 TYR A 30 -1.320 0.101 2.053 1.00 0.53 H new ATOM 0 HD1 TYR A 30 -3.049 -3.044 0.861 1.00 1.80 H new ATOM 0 HD2 TYR A 30 -1.066 -0.966 4.061 1.00 1.72 H new ATOM 0 HE1 TYR A 30 -3.149 -5.092 2.265 1.00 1.73 H new ATOM 0 HE2 TYR A 30 -1.287 -2.966 5.498 1.00 1.82 H new ATOM 0 HH TYR A 30 -2.128 -5.024 5.715 1.00 0.84 H new ATOM 535 N ASP A 31 -2.984 2.389 1.952 1.00 0.38 N ATOM 536 CA ASP A 31 -2.860 3.824 1.854 1.00 0.33 C ATOM 537 C ASP A 31 -1.938 4.264 2.955 1.00 0.30 C ATOM 538 O ASP A 31 -2.251 4.131 4.136 1.00 0.45 O ATOM 539 CB ASP A 31 -4.215 4.475 2.051 1.00 0.39 C ATOM 540 CG ASP A 31 -4.181 5.978 1.834 1.00 0.41 C ATOM 541 OD1 ASP A 31 -3.065 6.508 1.661 1.00 1.60 O ATOM 542 OD2 ASP A 31 -5.273 6.579 1.737 1.00 1.58 O ATOM 0 H ASP A 31 -2.982 2.058 2.917 1.00 0.38 H new ATOM 0 HA ASP A 31 -2.475 4.110 0.875 1.00 0.33 H new ATOM 0 HB2 ASP A 31 -4.931 4.029 1.361 1.00 0.39 H new ATOM 0 HB3 ASP A 31 -4.571 4.266 3.060 1.00 0.39 H new ATOM 547 N LEU A 32 -0.766 4.734 2.558 1.00 0.30 N ATOM 548 CA LEU A 32 0.227 5.178 3.495 1.00 0.37 C ATOM 549 C LEU A 32 0.458 6.667 3.283 1.00 0.32 C ATOM 550 O LEU A 32 1.482 7.198 3.677 1.00 0.43 O ATOM 551 CB LEU A 32 1.501 4.330 3.417 1.00 0.52 C ATOM 552 CG LEU A 32 1.531 3.130 2.470 1.00 0.54 C ATOM 553 CD1 LEU A 32 2.923 2.505 2.596 1.00 0.55 C ATOM 554 CD2 LEU A 32 0.429 2.117 2.799 1.00 0.83 C ATOM 0 H LEU A 32 -0.487 4.814 1.580 1.00 0.30 H new ATOM 0 HA LEU A 32 -0.126 5.038 4.517 1.00 0.37 H new ATOM 0 HB2 LEU A 32 2.321 4.991 3.137 1.00 0.52 H new ATOM 0 HB3 LEU A 32 1.715 3.963 4.421 1.00 0.52 H new ATOM 0 HG LEU A 32 1.340 3.448 1.445 1.00 0.54 H new ATOM 0 HD11 LEU A 32 2.995 1.640 1.936 1.00 0.55 H new ATOM 0 HD12 LEU A 32 3.678 3.239 2.315 1.00 0.55 H new ATOM 0 HD13 LEU A 32 3.088 2.190 3.626 1.00 0.55 H new ATOM 0 HD21 LEU A 32 0.485 1.280 2.103 1.00 0.83 H new ATOM 0 HD22 LEU A 32 0.562 1.752 3.817 1.00 0.83 H new ATOM 0 HD23 LEU A 32 -0.545 2.598 2.711 1.00 0.83 H new ATOM 566 N THR A 33 -0.500 7.379 2.696 1.00 0.28 N ATOM 567 CA THR A 33 -0.478 8.815 2.552 1.00 0.28 C ATOM 568 C THR A 33 -0.278 9.488 3.896 1.00 0.35 C ATOM 569 O THR A 33 0.645 10.279 4.066 1.00 0.45 O ATOM 570 CB THR A 33 -1.816 9.212 1.938 1.00 0.36 C ATOM 571 OG1 THR A 33 -1.850 8.726 0.630 1.00 1.18 O ATOM 572 CG2 THR A 33 -1.998 10.711 1.880 1.00 0.88 C ATOM 0 H THR A 33 -1.335 6.950 2.298 1.00 0.28 H new ATOM 0 HA THR A 33 0.350 9.131 1.917 1.00 0.28 H new ATOM 0 HB THR A 33 -2.610 8.797 2.559 1.00 0.36 H new ATOM 0 HG1 THR A 33 -2.284 7.847 0.619 1.00 1.18 H new ATOM 0 HG21 THR A 33 -2.966 10.943 1.435 1.00 0.88 H new ATOM 0 HG22 THR A 33 -1.954 11.122 2.889 1.00 0.88 H new ATOM 0 HG23 THR A 33 -1.205 11.151 1.275 1.00 0.88 H new ATOM 580 N LYS A 34 -1.114 9.159 4.883 1.00 0.43 N ATOM 581 CA LYS A 34 -0.954 9.762 6.197 1.00 0.50 C ATOM 582 C LYS A 34 0.268 9.183 6.918 1.00 0.43 C ATOM 583 O LYS A 34 0.678 9.737 7.931 1.00 0.49 O ATOM 584 CB LYS A 34 -2.248 9.596 7.004 1.00 0.62 C ATOM 585 CG LYS A 34 -2.307 10.582 8.181 1.00 1.18 C ATOM 586 CD LYS A 34 -2.357 9.840 9.516 1.00 1.37 C ATOM 587 CE LYS A 34 -2.375 10.854 10.660 1.00 1.97 C ATOM 588 NZ LYS A 34 -2.547 10.179 11.963 1.00 2.75 N ATOM 0 H LYS A 34 -1.886 8.497 4.798 1.00 0.43 H new ATOM 0 HA LYS A 34 -0.769 10.830 6.086 1.00 0.50 H new ATOM 0 HB2 LYS A 34 -3.107 9.754 6.352 1.00 0.62 H new ATOM 0 HB3 LYS A 34 -2.316 8.575 7.379 1.00 0.62 H new ATOM 0 HG2 LYS A 34 -1.435 11.235 8.157 1.00 1.18 H new ATOM 0 HG3 LYS A 34 -3.186 11.219 8.082 1.00 1.18 H new ATOM 0 HD2 LYS A 34 -3.245 9.209 9.561 1.00 1.37 H new ATOM 0 HD3 LYS A 34 -1.493 9.182 9.612 1.00 1.37 H new ATOM 0 HE2 LYS A 34 -1.445 11.423 10.661 1.00 1.97 H new ATOM 0 HE3 LYS A 34 -3.185 11.567 10.506 1.00 1.97 H new ATOM 0 HZ1 LYS A 34 -2.556 10.889 12.723 1.00 2.75 H new ATOM 0 HZ2 LYS A 34 -3.446 9.656 11.967 1.00 2.75 H new ATOM 0 HZ3 LYS A 34 -1.760 9.516 12.117 1.00 2.75 H new ATOM 602 N PHE A 35 0.861 8.117 6.370 1.00 0.36 N ATOM 603 CA PHE A 35 1.984 7.390 6.931 1.00 0.35 C ATOM 604 C PHE A 35 3.296 7.757 6.250 1.00 0.37 C ATOM 605 O PHE A 35 4.366 7.314 6.656 1.00 0.37 O ATOM 606 CB PHE A 35 1.752 5.902 6.725 1.00 0.31 C ATOM 607 CG PHE A 35 2.815 5.003 7.330 1.00 0.30 C ATOM 608 CD1 PHE A 35 2.949 4.914 8.724 1.00 1.36 C ATOM 609 CD2 PHE A 35 3.677 4.262 6.500 1.00 1.45 C ATOM 610 CE1 PHE A 35 3.982 4.147 9.289 1.00 1.34 C ATOM 611 CE2 PHE A 35 4.612 3.384 7.069 1.00 1.48 C ATOM 612 CZ PHE A 35 4.811 3.379 8.458 1.00 0.41 C ATOM 0 H PHE A 35 0.549 7.726 5.481 1.00 0.36 H new ATOM 0 HA PHE A 35 2.055 7.648 7.988 1.00 0.35 H new ATOM 0 HB2 PHE A 35 0.785 5.637 7.153 1.00 0.31 H new ATOM 0 HB3 PHE A 35 1.693 5.702 5.655 1.00 0.31 H new ATOM 0 HD1 PHE A 35 2.255 5.437 9.365 1.00 1.36 H new ATOM 0 HD2 PHE A 35 3.619 4.369 5.427 1.00 1.45 H new ATOM 0 HE1 PHE A 35 4.137 4.149 10.358 1.00 1.34 H new ATOM 0 HE2 PHE A 35 5.177 2.713 6.439 1.00 1.48 H new ATOM 0 HZ PHE A 35 5.603 2.783 8.888 1.00 0.41 H new ATOM 622 N LEU A 36 3.229 8.544 5.184 1.00 0.44 N ATOM 623 CA LEU A 36 4.413 9.001 4.481 1.00 0.55 C ATOM 624 C LEU A 36 5.381 9.658 5.459 1.00 0.65 C ATOM 625 O LEU A 36 6.574 9.388 5.416 1.00 0.79 O ATOM 626 CB LEU A 36 3.987 9.976 3.370 1.00 0.59 C ATOM 627 CG LEU A 36 3.603 9.332 2.032 1.00 0.60 C ATOM 628 CD1 LEU A 36 3.413 10.425 0.976 1.00 1.14 C ATOM 629 CD2 LEU A 36 4.660 8.333 1.582 1.00 0.74 C ATOM 0 H LEU A 36 2.353 8.881 4.786 1.00 0.44 H new ATOM 0 HA LEU A 36 4.930 8.156 4.026 1.00 0.55 H new ATOM 0 HB2 LEU A 36 3.138 10.559 3.729 1.00 0.59 H new ATOM 0 HB3 LEU A 36 4.803 10.677 3.194 1.00 0.59 H new ATOM 0 HG LEU A 36 2.667 8.788 2.160 1.00 0.60 H new ATOM 0 HD11 LEU A 36 3.140 9.968 0.025 1.00 1.14 H new ATOM 0 HD12 LEU A 36 2.621 11.104 1.293 1.00 1.14 H new ATOM 0 HD13 LEU A 36 4.342 10.982 0.858 1.00 1.14 H new ATOM 0 HD21 LEU A 36 4.362 7.892 0.631 1.00 0.74 H new ATOM 0 HD22 LEU A 36 5.615 8.844 1.462 1.00 0.74 H new ATOM 0 HD23 LEU A 36 4.760 7.547 2.331 1.00 0.74 H new ATOM 641 N GLU A 37 4.856 10.465 6.383 1.00 0.92 N ATOM 642 CA GLU A 37 5.657 11.148 7.391 1.00 1.09 C ATOM 643 C GLU A 37 5.670 10.377 8.723 1.00 1.02 C ATOM 644 O GLU A 37 5.959 10.942 9.774 1.00 1.37 O ATOM 645 CB GLU A 37 5.119 12.578 7.564 1.00 1.36 C ATOM 646 CG GLU A 37 5.385 13.451 6.331 1.00 1.47 C ATOM 647 CD GLU A 37 6.880 13.674 6.097 1.00 1.93 C ATOM 648 OE1 GLU A 37 7.513 14.287 6.984 1.00 2.98 O ATOM 649 OE2 GLU A 37 7.362 13.239 5.029 1.00 2.89 O ATOM 0 H GLU A 37 3.857 10.662 6.450 1.00 0.92 H new ATOM 0 HA GLU A 37 6.694 11.194 7.058 1.00 1.09 H new ATOM 0 HB2 GLU A 37 4.047 12.540 7.756 1.00 1.36 H new ATOM 0 HB3 GLU A 37 5.583 13.036 8.438 1.00 1.36 H new ATOM 0 HG2 GLU A 37 4.947 12.979 5.452 1.00 1.47 H new ATOM 0 HG3 GLU A 37 4.890 14.414 6.455 1.00 1.47 H new ATOM 656 N GLU A 38 5.335 9.085 8.704 1.00 0.74 N ATOM 657 CA GLU A 38 5.312 8.213 9.873 1.00 0.75 C ATOM 658 C GLU A 38 6.280 7.031 9.766 1.00 0.60 C ATOM 659 O GLU A 38 6.606 6.421 10.784 1.00 0.78 O ATOM 660 CB GLU A 38 3.919 7.619 10.033 1.00 1.06 C ATOM 661 CG GLU A 38 2.798 8.582 10.419 1.00 1.52 C ATOM 662 CD GLU A 38 1.532 7.816 10.842 1.00 2.03 C ATOM 663 OE1 GLU A 38 0.715 7.466 9.959 1.00 3.31 O ATOM 664 OE2 GLU A 38 1.384 7.578 12.061 1.00 2.03 O ATOM 0 H GLU A 38 5.064 8.605 7.846 1.00 0.74 H new ATOM 0 HA GLU A 38 5.606 8.835 10.718 1.00 0.75 H new ATOM 0 HB2 GLU A 38 3.645 7.138 9.094 1.00 1.06 H new ATOM 0 HB3 GLU A 38 3.969 6.836 10.789 1.00 1.06 H new ATOM 0 HG2 GLU A 38 3.130 9.222 11.236 1.00 1.52 H new ATOM 0 HG3 GLU A 38 2.568 9.234 9.576 1.00 1.52 H new ATOM 671 N HIS A 39 6.725 6.683 8.555 1.00 0.48 N ATOM 672 CA HIS A 39 7.673 5.595 8.324 1.00 0.57 C ATOM 673 C HIS A 39 8.975 5.916 9.086 1.00 0.75 C ATOM 674 O HIS A 39 9.221 7.076 9.414 1.00 1.48 O ATOM 675 CB HIS A 39 7.903 5.474 6.810 1.00 0.88 C ATOM 676 CG HIS A 39 8.161 4.119 6.170 1.00 0.58 C ATOM 677 ND1 HIS A 39 8.781 3.971 4.957 1.00 0.65 N ATOM 678 CD2 HIS A 39 7.879 2.854 6.626 1.00 0.57 C ATOM 679 CE1 HIS A 39 8.940 2.675 4.700 1.00 0.70 C ATOM 680 NE2 HIS A 39 8.407 1.949 5.688 1.00 0.53 N ATOM 0 H HIS A 39 6.432 7.156 7.700 1.00 0.48 H new ATOM 0 HA HIS A 39 7.296 4.640 8.689 1.00 0.57 H new ATOM 0 HB2 HIS A 39 7.029 5.900 6.318 1.00 0.88 H new ATOM 0 HB3 HIS A 39 8.751 6.112 6.562 1.00 0.88 H new ATOM 0 HD1 HIS A 39 9.074 4.734 4.347 1.00 0.65 H new ATOM 0 HD2 HIS A 39 7.351 2.602 7.534 1.00 0.57 H new ATOM 0 HE1 HIS A 39 9.427 2.270 3.825 1.00 0.70 H new ATOM 688 N PRO A 40 9.833 4.928 9.375 1.00 0.81 N ATOM 689 CA PRO A 40 10.999 5.142 10.217 1.00 0.86 C ATOM 690 C PRO A 40 12.072 5.925 9.478 1.00 2.01 C ATOM 691 O PRO A 40 12.845 6.664 10.082 1.00 3.90 O ATOM 692 CB PRO A 40 11.508 3.750 10.585 1.00 1.29 C ATOM 693 CG PRO A 40 10.924 2.820 9.527 1.00 2.23 C ATOM 694 CD PRO A 40 9.786 3.581 8.865 1.00 1.83 C ATOM 0 HA PRO A 40 10.744 5.725 11.102 1.00 0.86 H new ATOM 0 HB2 PRO A 40 12.597 3.715 10.582 1.00 1.29 H new ATOM 0 HB3 PRO A 40 11.183 3.463 11.585 1.00 1.29 H new ATOM 0 HG2 PRO A 40 11.682 2.541 8.795 1.00 2.23 H new ATOM 0 HG3 PRO A 40 10.562 1.897 9.979 1.00 2.23 H new ATOM 0 HD2 PRO A 40 9.896 3.574 7.781 1.00 1.83 H new ATOM 0 HD3 PRO A 40 8.827 3.115 9.091 1.00 1.83 H new ATOM 702 N GLY A 41 12.106 5.755 8.161 1.00 1.02 N ATOM 703 CA GLY A 41 13.045 6.439 7.309 1.00 1.98 C ATOM 704 C GLY A 41 12.760 6.170 5.840 1.00 0.92 C ATOM 705 O GLY A 41 13.707 6.203 5.061 1.00 0.85 O ATOM 0 H GLY A 41 11.473 5.131 7.660 1.00 1.02 H new ATOM 0 HA2 GLY A 41 12.998 7.511 7.500 1.00 1.98 H new ATOM 0 HA3 GLY A 41 14.058 6.117 7.549 1.00 1.98 H new ATOM 709 N GLY A 42 11.514 5.850 5.439 1.00 0.77 N ATOM 710 CA GLY A 42 11.227 5.906 4.016 1.00 0.71 C ATOM 711 C GLY A 42 9.983 6.734 3.739 1.00 0.60 C ATOM 712 O GLY A 42 8.985 6.661 4.435 1.00 1.31 O ATOM 0 H GLY A 42 10.743 5.569 6.045 1.00 0.77 H new ATOM 0 HA2 GLY A 42 12.078 6.335 3.487 1.00 0.71 H new ATOM 0 HA3 GLY A 42 11.088 4.896 3.630 1.00 0.71 H new ATOM 716 N GLU A 43 9.991 7.454 2.642 1.00 0.54 N ATOM 717 CA GLU A 43 8.867 8.276 2.236 1.00 0.63 C ATOM 718 C GLU A 43 8.721 8.114 0.727 1.00 0.63 C ATOM 719 O GLU A 43 7.681 7.730 0.198 1.00 0.62 O ATOM 720 CB GLU A 43 9.093 9.730 2.692 1.00 0.91 C ATOM 721 CG GLU A 43 10.515 10.317 2.584 1.00 1.64 C ATOM 722 CD GLU A 43 11.513 9.667 3.547 1.00 3.39 C ATOM 723 OE1 GLU A 43 11.433 9.927 4.765 1.00 4.36 O ATOM 724 OE2 GLU A 43 12.316 8.855 3.030 1.00 4.64 O ATOM 0 H GLU A 43 10.782 7.489 1.999 1.00 0.54 H new ATOM 0 HA GLU A 43 7.932 7.969 2.705 1.00 0.63 H new ATOM 0 HB2 GLU A 43 8.425 10.368 2.113 1.00 0.91 H new ATOM 0 HB3 GLU A 43 8.781 9.804 3.734 1.00 0.91 H new ATOM 0 HG2 GLU A 43 10.874 10.195 1.562 1.00 1.64 H new ATOM 0 HG3 GLU A 43 10.475 11.388 2.782 1.00 1.64 H new ATOM 731 N GLU A 44 9.845 8.307 0.053 1.00 0.63 N ATOM 732 CA GLU A 44 9.973 8.160 -1.403 1.00 0.60 C ATOM 733 C GLU A 44 9.752 6.722 -1.831 1.00 0.54 C ATOM 734 O GLU A 44 9.143 6.475 -2.867 1.00 0.54 O ATOM 735 CB GLU A 44 11.341 8.609 -1.929 1.00 0.65 C ATOM 736 CG GLU A 44 11.439 8.357 -3.449 1.00 1.26 C ATOM 737 CD GLU A 44 12.661 9.008 -4.094 1.00 2.16 C ATOM 738 OE1 GLU A 44 13.782 8.735 -3.612 1.00 2.69 O ATOM 739 OE2 GLU A 44 12.446 9.767 -5.068 1.00 3.39 O ATOM 0 H GLU A 44 10.718 8.577 0.507 1.00 0.63 H new ATOM 0 HA GLU A 44 9.205 8.806 -1.829 1.00 0.60 H new ATOM 0 HB2 GLU A 44 11.489 9.668 -1.719 1.00 0.65 H new ATOM 0 HB3 GLU A 44 12.133 8.067 -1.412 1.00 0.65 H new ATOM 0 HG2 GLU A 44 11.471 7.283 -3.630 1.00 1.26 H new ATOM 0 HG3 GLU A 44 10.538 8.735 -3.931 1.00 1.26 H new ATOM 746 N VAL A 45 10.213 5.757 -1.037 1.00 0.53 N ATOM 747 CA VAL A 45 9.925 4.367 -1.332 1.00 0.54 C ATOM 748 C VAL A 45 8.421 4.170 -1.420 1.00 0.57 C ATOM 749 O VAL A 45 7.945 3.482 -2.318 1.00 0.70 O ATOM 750 CB VAL A 45 10.535 3.439 -0.279 1.00 0.58 C ATOM 751 CG1 VAL A 45 11.976 3.105 -0.667 1.00 0.95 C ATOM 752 CG2 VAL A 45 10.510 4.034 1.136 1.00 1.08 C ATOM 0 H VAL A 45 10.776 5.913 -0.201 1.00 0.53 H new ATOM 0 HA VAL A 45 10.376 4.111 -2.291 1.00 0.54 H new ATOM 0 HB VAL A 45 9.922 2.538 -0.256 1.00 0.58 H new ATOM 0 HG11 VAL A 45 12.411 2.444 0.083 1.00 0.95 H new ATOM 0 HG12 VAL A 45 11.986 2.609 -1.638 1.00 0.95 H new ATOM 0 HG13 VAL A 45 12.560 4.024 -0.723 1.00 0.95 H new ATOM 0 HG21 VAL A 45 10.957 3.328 1.836 1.00 1.08 H new ATOM 0 HG22 VAL A 45 11.077 4.965 1.149 1.00 1.08 H new ATOM 0 HG23 VAL A 45 9.479 4.232 1.429 1.00 1.08 H new ATOM 762 N LEU A 46 7.629 4.831 -0.569 1.00 0.53 N ATOM 763 CA LEU A 46 6.208 4.586 -0.699 1.00 0.57 C ATOM 764 C LEU A 46 5.673 5.156 -2.022 1.00 0.58 C ATOM 765 O LEU A 46 4.638 4.705 -2.506 1.00 0.68 O ATOM 766 CB LEU A 46 5.492 5.162 0.513 1.00 0.60 C ATOM 767 CG LEU A 46 6.203 4.880 1.859 1.00 0.62 C ATOM 768 CD1 LEU A 46 5.238 5.145 3.012 1.00 0.81 C ATOM 769 CD2 LEU A 46 6.765 3.455 1.955 1.00 0.62 C ATOM 0 H LEU A 46 7.923 5.485 0.157 1.00 0.53 H new ATOM 0 HA LEU A 46 6.018 3.513 -0.729 1.00 0.57 H new ATOM 0 HB2 LEU A 46 5.393 6.240 0.385 1.00 0.60 H new ATOM 0 HB3 LEU A 46 4.483 4.752 0.554 1.00 0.60 H new ATOM 0 HG LEU A 46 7.057 5.555 1.920 1.00 0.62 H new ATOM 0 HD11 LEU A 46 5.739 4.946 3.959 1.00 0.81 H new ATOM 0 HD12 LEU A 46 4.915 6.186 2.984 1.00 0.81 H new ATOM 0 HD13 LEU A 46 4.370 4.493 2.917 1.00 0.81 H new ATOM 0 HD21 LEU A 46 7.251 3.320 2.921 1.00 0.62 H new ATOM 0 HD22 LEU A 46 5.952 2.736 1.854 1.00 0.62 H new ATOM 0 HD23 LEU A 46 7.492 3.296 1.158 1.00 0.62 H new ATOM 781 N ARG A 47 6.396 6.099 -2.638 1.00 0.53 N ATOM 782 CA ARG A 47 6.103 6.630 -3.962 1.00 0.58 C ATOM 783 C ARG A 47 6.685 5.776 -5.094 1.00 0.53 C ATOM 784 O ARG A 47 6.184 5.842 -6.210 1.00 0.67 O ATOM 785 CB ARG A 47 6.635 8.064 -4.060 1.00 0.66 C ATOM 786 CG ARG A 47 5.980 8.803 -5.229 1.00 1.35 C ATOM 787 CD ARG A 47 6.435 10.265 -5.263 1.00 1.48 C ATOM 788 NE ARG A 47 7.652 10.439 -6.071 1.00 2.57 N ATOM 789 CZ ARG A 47 7.681 10.426 -7.411 1.00 3.08 C ATOM 790 NH1 ARG A 47 6.559 10.208 -8.101 1.00 3.60 N ATOM 791 NH2 ARG A 47 8.830 10.629 -8.058 1.00 4.28 N ATOM 0 H ARG A 47 7.222 6.521 -2.213 1.00 0.53 H new ATOM 0 HA ARG A 47 5.020 6.614 -4.086 1.00 0.58 H new ATOM 0 HB2 ARG A 47 6.436 8.596 -3.129 1.00 0.66 H new ATOM 0 HB3 ARG A 47 7.717 8.048 -4.193 1.00 0.66 H new ATOM 0 HG2 ARG A 47 6.240 8.313 -6.168 1.00 1.35 H new ATOM 0 HG3 ARG A 47 4.895 8.756 -5.134 1.00 1.35 H new ATOM 0 HD2 ARG A 47 5.636 10.885 -5.670 1.00 1.48 H new ATOM 0 HD3 ARG A 47 6.621 10.612 -4.246 1.00 1.48 H new ATOM 0 HE ARG A 47 8.534 10.579 -5.578 1.00 2.57 H new ATOM 0 HH11 ARG A 47 5.680 10.051 -7.608 1.00 3.60 H new ATOM 0 HH12 ARG A 47 6.581 10.198 -9.121 1.00 3.60 H new ATOM 0 HH21 ARG A 47 9.689 10.794 -7.533 1.00 4.28 H new ATOM 0 HH22 ARG A 47 8.850 10.619 -9.078 1.00 4.28 H new ATOM 805 N GLU A 48 7.714 4.966 -4.858 1.00 0.41 N ATOM 806 CA GLU A 48 8.283 4.139 -5.912 1.00 0.40 C ATOM 807 C GLU A 48 7.323 3.011 -6.287 1.00 0.38 C ATOM 808 O GLU A 48 7.223 2.633 -7.451 1.00 0.55 O ATOM 809 CB GLU A 48 9.624 3.563 -5.444 1.00 0.44 C ATOM 810 CG GLU A 48 10.817 4.466 -5.783 1.00 0.70 C ATOM 811 CD GLU A 48 11.934 3.660 -6.451 1.00 1.02 C ATOM 812 OE1 GLU A 48 11.665 3.110 -7.542 1.00 1.52 O ATOM 813 OE2 GLU A 48 13.034 3.585 -5.861 1.00 2.33 O ATOM 0 H GLU A 48 8.167 4.867 -3.950 1.00 0.41 H new ATOM 0 HA GLU A 48 8.446 4.755 -6.797 1.00 0.40 H new ATOM 0 HB2 GLU A 48 9.589 3.406 -4.366 1.00 0.44 H new ATOM 0 HB3 GLU A 48 9.773 2.586 -5.903 1.00 0.44 H new ATOM 0 HG2 GLU A 48 10.495 5.269 -6.446 1.00 0.70 H new ATOM 0 HG3 GLU A 48 11.194 4.935 -4.874 1.00 0.70 H new ATOM 820 N GLN A 49 6.583 2.488 -5.311 1.00 0.34 N ATOM 821 CA GLN A 49 5.610 1.433 -5.523 1.00 0.36 C ATOM 822 C GLN A 49 4.186 1.972 -5.429 1.00 0.41 C ATOM 823 O GLN A 49 3.223 1.212 -5.510 1.00 0.48 O ATOM 824 CB GLN A 49 5.828 0.364 -4.465 1.00 0.38 C ATOM 825 CG GLN A 49 7.108 -0.438 -4.668 1.00 0.50 C ATOM 826 CD GLN A 49 8.418 0.318 -4.535 1.00 1.97 C ATOM 827 OE1 GLN A 49 8.620 1.064 -3.593 1.00 4.08 O ATOM 828 NE2 GLN A 49 9.346 0.099 -5.453 1.00 1.75 N ATOM 0 H GLN A 49 6.648 2.793 -4.340 1.00 0.34 H new ATOM 0 HA GLN A 49 5.742 1.016 -6.522 1.00 0.36 H new ATOM 0 HB2 GLN A 49 5.856 0.836 -3.483 1.00 0.38 H new ATOM 0 HB3 GLN A 49 4.977 -0.317 -4.467 1.00 0.38 H new ATOM 0 HG2 GLN A 49 7.114 -1.257 -3.948 1.00 0.50 H new ATOM 0 HG3 GLN A 49 7.074 -0.887 -5.661 1.00 0.50 H new ATOM 0 HE21 GLN A 49 9.154 -0.530 -6.233 1.00 1.75 H new ATOM 0 HE22 GLN A 49 10.253 0.559 -5.381 1.00 1.75 H new ATOM 837 N ALA A 50 4.050 3.280 -5.230 1.00 0.47 N ATOM 838 CA ALA A 50 2.765 3.942 -5.159 1.00 0.58 C ATOM 839 C ALA A 50 1.878 3.587 -6.348 1.00 0.63 C ATOM 840 O ALA A 50 2.327 3.538 -7.491 1.00 0.69 O ATOM 841 CB ALA A 50 2.959 5.449 -5.106 1.00 0.71 C ATOM 0 H ALA A 50 4.843 3.911 -5.113 1.00 0.47 H new ATOM 0 HA ALA A 50 2.269 3.598 -4.252 1.00 0.58 H new ATOM 0 HB1 ALA A 50 1.987 5.939 -5.053 1.00 0.71 H new ATOM 0 HB2 ALA A 50 3.546 5.710 -4.225 1.00 0.71 H new ATOM 0 HB3 ALA A 50 3.484 5.780 -6.002 1.00 0.71 H new ATOM 847 N GLY A 51 0.592 3.372 -6.071 1.00 0.65 N ATOM 848 CA GLY A 51 -0.395 2.940 -7.044 1.00 0.74 C ATOM 849 C GLY A 51 0.048 1.670 -7.763 1.00 0.74 C ATOM 850 O GLY A 51 -0.345 1.439 -8.904 1.00 0.85 O ATOM 0 H GLY A 51 0.204 3.499 -5.136 1.00 0.65 H new ATOM 0 HA2 GLY A 51 -1.347 2.763 -6.544 1.00 0.74 H new ATOM 0 HA3 GLY A 51 -0.560 3.733 -7.773 1.00 0.74 H new ATOM 854 N GLY A 52 0.884 0.862 -7.111 1.00 0.65 N ATOM 855 CA GLY A 52 1.533 -0.294 -7.685 1.00 0.64 C ATOM 856 C GLY A 52 1.721 -1.346 -6.603 1.00 0.65 C ATOM 857 O GLY A 52 1.245 -1.186 -5.479 1.00 0.69 O ATOM 0 H GLY A 52 1.130 1.009 -6.132 1.00 0.65 H new ATOM 0 HA2 GLY A 52 0.932 -0.696 -8.501 1.00 0.64 H new ATOM 0 HA3 GLY A 52 2.497 -0.013 -8.108 1.00 0.64 H new ATOM 861 N ASP A 53 2.373 -2.453 -6.950 1.00 0.66 N ATOM 862 CA ASP A 53 2.527 -3.569 -6.034 1.00 0.71 C ATOM 863 C ASP A 53 3.779 -3.372 -5.202 1.00 0.67 C ATOM 864 O ASP A 53 4.895 -3.606 -5.665 1.00 0.73 O ATOM 865 CB ASP A 53 2.536 -4.906 -6.780 1.00 0.77 C ATOM 866 CG ASP A 53 1.608 -5.874 -6.056 1.00 2.10 C ATOM 867 OD1 ASP A 53 1.903 -6.157 -4.873 1.00 3.31 O ATOM 868 OD2 ASP A 53 0.586 -6.254 -6.668 1.00 2.96 O ATOM 0 H ASP A 53 2.803 -2.597 -7.864 1.00 0.66 H new ATOM 0 HA ASP A 53 1.670 -3.599 -5.361 1.00 0.71 H new ATOM 0 HB2 ASP A 53 2.208 -4.767 -7.810 1.00 0.77 H new ATOM 0 HB3 ASP A 53 3.548 -5.310 -6.820 1.00 0.77 H new ATOM 873 N ALA A 54 3.612 -2.894 -3.972 1.00 0.67 N ATOM 874 CA ALA A 54 4.752 -2.773 -3.088 1.00 0.62 C ATOM 875 C ALA A 54 4.941 -4.041 -2.275 1.00 0.69 C ATOM 876 O ALA A 54 5.944 -4.158 -1.578 1.00 0.61 O ATOM 877 CB ALA A 54 4.600 -1.560 -2.176 1.00 0.59 C ATOM 0 H ALA A 54 2.721 -2.593 -3.578 1.00 0.67 H new ATOM 0 HA ALA A 54 5.643 -2.629 -3.699 1.00 0.62 H new ATOM 0 HB1 ALA A 54 5.467 -1.487 -1.520 1.00 0.59 H new ATOM 0 HB2 ALA A 54 4.526 -0.657 -2.781 1.00 0.59 H new ATOM 0 HB3 ALA A 54 3.698 -1.668 -1.574 1.00 0.59 H new ATOM 883 N THR A 55 3.996 -4.984 -2.340 1.00 0.89 N ATOM 884 CA THR A 55 4.045 -6.165 -1.499 1.00 1.02 C ATOM 885 C THR A 55 5.318 -6.943 -1.753 1.00 0.99 C ATOM 886 O THR A 55 5.914 -7.455 -0.811 1.00 0.95 O ATOM 887 CB THR A 55 2.778 -6.991 -1.706 1.00 1.36 C ATOM 888 OG1 THR A 55 2.338 -7.513 -0.476 1.00 1.84 O ATOM 889 CG2 THR A 55 2.954 -8.187 -2.621 1.00 1.60 C ATOM 0 H THR A 55 3.193 -4.945 -2.968 1.00 0.89 H new ATOM 0 HA THR A 55 4.072 -5.878 -0.448 1.00 1.02 H new ATOM 0 HB THR A 55 2.069 -6.299 -2.161 1.00 1.36 H new ATOM 0 HG1 THR A 55 2.374 -8.492 -0.504 1.00 1.84 H new ATOM 0 HG21 THR A 55 2.006 -8.717 -2.713 1.00 1.60 H new ATOM 0 HG22 THR A 55 3.277 -7.848 -3.605 1.00 1.60 H new ATOM 0 HG23 THR A 55 3.706 -8.857 -2.204 1.00 1.60 H new ATOM 897 N GLU A 56 5.748 -6.988 -3.015 1.00 1.08 N ATOM 898 CA GLU A 56 6.933 -7.737 -3.374 1.00 1.21 C ATOM 899 C GLU A 56 8.122 -7.193 -2.597 1.00 1.03 C ATOM 900 O GLU A 56 8.905 -7.969 -2.075 1.00 1.19 O ATOM 901 CB GLU A 56 7.180 -7.662 -4.889 1.00 1.39 C ATOM 902 CG GLU A 56 7.061 -9.048 -5.533 1.00 2.03 C ATOM 903 CD GLU A 56 7.855 -9.140 -6.838 1.00 2.35 C ATOM 904 OE1 GLU A 56 7.744 -8.192 -7.647 1.00 2.77 O ATOM 905 OE2 GLU A 56 8.554 -10.162 -7.013 1.00 3.31 O ATOM 0 H GLU A 56 5.291 -6.515 -3.794 1.00 1.08 H new ATOM 0 HA GLU A 56 6.793 -8.787 -3.116 1.00 1.21 H new ATOM 0 HB2 GLU A 56 6.461 -6.982 -5.345 1.00 1.39 H new ATOM 0 HB3 GLU A 56 8.172 -7.252 -5.080 1.00 1.39 H new ATOM 0 HG2 GLU A 56 7.420 -9.805 -4.835 1.00 2.03 H new ATOM 0 HG3 GLU A 56 6.012 -9.268 -5.730 1.00 2.03 H new ATOM 912 N ASN A 57 8.226 -5.868 -2.471 1.00 0.83 N ATOM 913 CA ASN A 57 9.342 -5.213 -1.808 1.00 0.80 C ATOM 914 C ASN A 57 9.228 -5.388 -0.307 1.00 0.62 C ATOM 915 O ASN A 57 10.162 -5.865 0.324 1.00 0.71 O ATOM 916 CB ASN A 57 9.323 -3.720 -2.119 1.00 0.85 C ATOM 917 CG ASN A 57 9.894 -3.398 -3.483 1.00 1.57 C ATOM 918 OD1 ASN A 57 11.077 -3.117 -3.617 1.00 1.99 O ATOM 919 ND2 ASN A 57 9.066 -3.420 -4.518 1.00 3.05 N ATOM 0 H ASN A 57 7.528 -5.218 -2.832 1.00 0.83 H new ATOM 0 HA ASN A 57 10.269 -5.661 -2.166 1.00 0.80 H new ATOM 0 HB2 ASN A 57 8.297 -3.355 -2.064 1.00 0.85 H new ATOM 0 HB3 ASN A 57 9.892 -3.187 -1.357 1.00 0.85 H new ATOM 0 HD21 ASN A 57 9.411 -3.200 -5.452 1.00 3.05 H new ATOM 0 HD22 ASN A 57 8.084 -3.657 -4.380 1.00 3.05 H new ATOM 926 N PHE A 58 8.091 -4.985 0.263 1.00 0.54 N ATOM 927 CA PHE A 58 7.779 -5.182 1.680 1.00 0.59 C ATOM 928 C PHE A 58 8.187 -6.581 2.172 1.00 0.57 C ATOM 929 O PHE A 58 8.761 -6.702 3.255 1.00 0.57 O ATOM 930 CB PHE A 58 6.282 -4.916 1.885 1.00 0.79 C ATOM 931 CG PHE A 58 5.854 -4.660 3.317 1.00 1.18 C ATOM 932 CD1 PHE A 58 5.965 -5.664 4.295 1.00 1.38 C ATOM 933 CD2 PHE A 58 5.348 -3.399 3.684 1.00 3.06 C ATOM 934 CE1 PHE A 58 5.633 -5.383 5.628 1.00 1.57 C ATOM 935 CE2 PHE A 58 4.966 -3.156 5.009 1.00 3.47 C ATOM 936 CZ PHE A 58 5.134 -4.130 5.992 1.00 2.18 C ATOM 0 H PHE A 58 7.352 -4.507 -0.252 1.00 0.54 H new ATOM 0 HA PHE A 58 8.359 -4.480 2.280 1.00 0.59 H new ATOM 0 HB2 PHE A 58 5.998 -4.055 1.280 1.00 0.79 H new ATOM 0 HB3 PHE A 58 5.723 -5.771 1.505 1.00 0.79 H new ATOM 0 HD1 PHE A 58 6.306 -6.651 4.020 1.00 1.38 H new ATOM 0 HD2 PHE A 58 5.254 -2.619 2.943 1.00 3.06 H new ATOM 0 HE1 PHE A 58 5.765 -6.144 6.382 1.00 1.57 H new ATOM 0 HE2 PHE A 58 4.535 -2.201 5.273 1.00 3.47 H new ATOM 0 HZ PHE A 58 4.882 -3.919 7.021 1.00 2.18 H new ATOM 946 N GLU A 59 7.910 -7.629 1.394 1.00 0.70 N ATOM 947 CA GLU A 59 8.289 -8.998 1.729 1.00 0.82 C ATOM 948 C GLU A 59 9.768 -9.260 1.460 1.00 0.82 C ATOM 949 O GLU A 59 10.405 -9.923 2.271 1.00 0.85 O ATOM 950 CB GLU A 59 7.443 -9.973 0.902 1.00 1.10 C ATOM 951 CG GLU A 59 6.159 -10.366 1.642 1.00 1.46 C ATOM 952 CD GLU A 59 6.241 -11.746 2.304 1.00 1.68 C ATOM 953 OE1 GLU A 59 6.829 -11.844 3.406 1.00 2.10 O ATOM 954 OE2 GLU A 59 5.632 -12.685 1.746 1.00 2.61 O ATOM 0 H GLU A 59 7.412 -7.548 0.507 1.00 0.70 H new ATOM 0 HA GLU A 59 8.111 -9.145 2.794 1.00 0.82 H new ATOM 0 HB2 GLU A 59 7.188 -9.516 -0.054 1.00 1.10 H new ATOM 0 HB3 GLU A 59 8.026 -10.867 0.682 1.00 1.10 H new ATOM 0 HG2 GLU A 59 5.943 -9.617 2.404 1.00 1.46 H new ATOM 0 HG3 GLU A 59 5.325 -10.356 0.940 1.00 1.46 H new ATOM 961 N ASP A 60 10.319 -8.752 0.351 1.00 0.89 N ATOM 962 CA ASP A 60 11.717 -8.973 -0.032 1.00 1.07 C ATOM 963 C ASP A 60 12.620 -8.570 1.126 1.00 0.99 C ATOM 964 O ASP A 60 13.523 -9.297 1.532 1.00 1.18 O ATOM 965 CB ASP A 60 12.095 -8.142 -1.274 1.00 1.17 C ATOM 966 CG ASP A 60 13.014 -8.911 -2.218 1.00 1.49 C ATOM 967 OD1 ASP A 60 14.243 -8.854 -2.000 1.00 1.57 O ATOM 968 OD2 ASP A 60 12.476 -9.536 -3.157 1.00 2.88 O ATOM 0 H ASP A 60 9.803 -8.172 -0.310 1.00 0.89 H new ATOM 0 HA ASP A 60 11.844 -10.029 -0.271 1.00 1.07 H new ATOM 0 HB2 ASP A 60 11.189 -7.853 -1.806 1.00 1.17 H new ATOM 0 HB3 ASP A 60 12.587 -7.222 -0.959 1.00 1.17 H new ATOM 973 N VAL A 61 12.339 -7.386 1.675 1.00 0.81 N ATOM 974 CA VAL A 61 13.077 -6.842 2.797 1.00 0.89 C ATOM 975 C VAL A 61 12.687 -7.541 4.084 1.00 0.70 C ATOM 976 O VAL A 61 13.534 -7.750 4.950 1.00 0.84 O ATOM 977 CB VAL A 61 12.919 -5.307 2.867 1.00 1.13 C ATOM 978 CG1 VAL A 61 13.285 -4.608 1.542 1.00 3.13 C ATOM 979 CG2 VAL A 61 11.496 -4.904 3.274 1.00 2.04 C ATOM 0 H VAL A 61 11.587 -6.781 1.345 1.00 0.81 H new ATOM 0 HA VAL A 61 14.140 -7.034 2.650 1.00 0.89 H new ATOM 0 HB VAL A 61 13.622 -4.975 3.631 1.00 1.13 H new ATOM 0 HG11 VAL A 61 13.155 -3.531 1.651 1.00 3.13 H new ATOM 0 HG12 VAL A 61 14.323 -4.825 1.291 1.00 3.13 H new ATOM 0 HG13 VAL A 61 12.636 -4.973 0.746 1.00 3.13 H new ATOM 0 HG21 VAL A 61 11.423 -3.817 3.313 1.00 2.04 H new ATOM 0 HG22 VAL A 61 10.785 -5.290 2.543 1.00 2.04 H new ATOM 0 HG23 VAL A 61 11.267 -5.318 4.256 1.00 2.04 H new ATOM 989 N GLY A 62 11.426 -7.949 4.198 1.00 0.61 N ATOM 990 CA GLY A 62 10.988 -8.828 5.250 1.00 0.77 C ATOM 991 C GLY A 62 9.930 -8.078 6.019 1.00 1.26 C ATOM 992 O GLY A 62 8.800 -8.553 6.140 1.00 2.82 O ATOM 0 H GLY A 62 10.685 -7.671 3.555 1.00 0.61 H new ATOM 0 HA2 GLY A 62 10.586 -9.755 4.840 1.00 0.77 H new ATOM 0 HA3 GLY A 62 11.820 -9.101 5.899 1.00 0.77 H new ATOM 996 N HIS A 63 10.333 -6.897 6.515 1.00 0.69 N ATOM 997 CA HIS A 63 9.653 -6.109 7.531 1.00 0.57 C ATOM 998 C HIS A 63 9.335 -6.962 8.767 1.00 0.64 C ATOM 999 O HIS A 63 8.987 -8.140 8.684 1.00 1.23 O ATOM 1000 CB HIS A 63 8.393 -5.465 6.947 1.00 0.61 C ATOM 1001 CG HIS A 63 8.565 -4.163 6.204 1.00 0.57 C ATOM 1002 ND1 HIS A 63 8.672 -4.056 4.846 1.00 0.60 N ATOM 1003 CD2 HIS A 63 8.409 -2.900 6.718 1.00 0.54 C ATOM 1004 CE1 HIS A 63 8.596 -2.754 4.526 1.00 0.59 C ATOM 1005 NE2 HIS A 63 8.453 -2.005 5.636 1.00 0.52 N ATOM 0 H HIS A 63 11.191 -6.450 6.193 1.00 0.69 H new ATOM 0 HA HIS A 63 10.318 -5.309 7.856 1.00 0.57 H new ATOM 0 HB2 HIS A 63 7.930 -6.182 6.269 1.00 0.61 H new ATOM 0 HB3 HIS A 63 7.690 -5.298 7.763 1.00 0.61 H new ATOM 0 HD1 HIS A 63 8.789 -4.829 4.191 1.00 0.60 H new ATOM 0 HD2 HIS A 63 8.277 -2.643 7.759 1.00 0.54 H new ATOM 0 HE1 HIS A 63 8.643 -2.363 3.520 1.00 0.59 H new ATOM 1013 N SER A 64 9.420 -6.362 9.951 1.00 0.58 N ATOM 1014 CA SER A 64 9.077 -7.068 11.171 1.00 0.66 C ATOM 1015 C SER A 64 7.624 -7.564 11.163 1.00 0.81 C ATOM 1016 O SER A 64 6.780 -7.100 10.397 1.00 0.75 O ATOM 1017 CB SER A 64 9.328 -6.122 12.341 1.00 0.67 C ATOM 1018 OG SER A 64 10.636 -5.601 12.248 1.00 1.75 O ATOM 0 H SER A 64 9.721 -5.397 10.086 1.00 0.58 H new ATOM 0 HA SER A 64 9.697 -7.960 11.261 1.00 0.66 H new ATOM 0 HB2 SER A 64 8.600 -5.311 12.330 1.00 0.67 H new ATOM 0 HB3 SER A 64 9.202 -6.652 13.285 1.00 0.67 H new ATOM 0 HG SER A 64 10.799 -4.991 12.998 1.00 1.75 H new ATOM 1024 N THR A 65 7.305 -8.509 12.045 1.00 1.17 N ATOM 1025 CA THR A 65 5.966 -9.056 12.102 1.00 1.51 C ATOM 1026 C THR A 65 4.987 -7.997 12.616 1.00 1.51 C ATOM 1027 O THR A 65 3.915 -7.821 12.048 1.00 1.61 O ATOM 1028 CB THR A 65 6.020 -10.317 12.964 1.00 1.91 C ATOM 1029 OG1 THR A 65 6.722 -11.313 12.248 1.00 2.05 O ATOM 1030 CG2 THR A 65 4.629 -10.832 13.292 1.00 2.16 C ATOM 0 H THR A 65 7.956 -8.905 12.723 1.00 1.17 H new ATOM 0 HA THR A 65 5.598 -9.336 11.115 1.00 1.51 H new ATOM 0 HB THR A 65 6.519 -10.077 13.903 1.00 1.91 H new ATOM 0 HG1 THR A 65 6.769 -12.131 12.786 1.00 2.05 H new ATOM 0 HG21 THR A 65 4.709 -11.729 13.906 1.00 2.16 H new ATOM 0 HG22 THR A 65 4.077 -10.067 13.838 1.00 2.16 H new ATOM 0 HG23 THR A 65 4.102 -11.070 12.368 1.00 2.16 H new ATOM 1038 N ASP A 66 5.380 -7.216 13.623 1.00 1.49 N ATOM 1039 CA ASP A 66 4.526 -6.150 14.146 1.00 1.69 C ATOM 1040 C ASP A 66 4.289 -5.071 13.077 1.00 1.36 C ATOM 1041 O ASP A 66 3.203 -4.506 12.973 1.00 1.52 O ATOM 1042 CB ASP A 66 5.182 -5.549 15.401 1.00 1.99 C ATOM 1043 CG ASP A 66 4.246 -5.612 16.603 1.00 2.65 C ATOM 1044 OD1 ASP A 66 3.918 -6.753 16.991 1.00 3.96 O ATOM 1045 OD2 ASP A 66 3.898 -4.529 17.122 1.00 2.50 O ATOM 0 H ASP A 66 6.282 -7.301 14.092 1.00 1.49 H new ATOM 0 HA ASP A 66 3.554 -6.563 14.415 1.00 1.69 H new ATOM 0 HB2 ASP A 66 6.102 -6.088 15.626 1.00 1.99 H new ATOM 0 HB3 ASP A 66 5.459 -4.513 15.208 1.00 1.99 H new ATOM 1050 N ALA A 67 5.290 -4.841 12.221 1.00 0.98 N ATOM 1051 CA ALA A 67 5.234 -3.953 11.061 1.00 0.81 C ATOM 1052 C ALA A 67 4.330 -4.553 9.971 1.00 0.84 C ATOM 1053 O ALA A 67 3.912 -3.814 9.095 1.00 1.29 O ATOM 1054 CB ALA A 67 6.646 -3.766 10.503 1.00 0.89 C ATOM 0 H ALA A 67 6.200 -5.290 12.325 1.00 0.98 H new ATOM 0 HA ALA A 67 4.824 -2.991 11.369 1.00 0.81 H new ATOM 0 HB1 ALA A 67 6.611 -3.104 9.637 1.00 0.89 H new ATOM 0 HB2 ALA A 67 7.285 -3.327 11.269 1.00 0.89 H new ATOM 0 HB3 ALA A 67 7.050 -4.733 10.204 1.00 0.89 H new ATOM 1060 N ARG A 68 4.014 -5.857 9.979 1.00 0.71 N ATOM 1061 CA ARG A 68 2.937 -6.424 9.157 1.00 0.83 C ATOM 1062 C ARG A 68 1.559 -6.326 9.813 1.00 1.06 C ATOM 1063 O ARG A 68 0.561 -6.453 9.105 1.00 1.20 O ATOM 1064 CB ARG A 68 3.248 -7.897 8.809 1.00 1.33 C ATOM 1065 CG ARG A 68 3.972 -7.996 7.462 1.00 2.05 C ATOM 1066 CD ARG A 68 5.286 -8.794 7.498 1.00 2.89 C ATOM 1067 NE ARG A 68 5.177 -10.043 6.731 1.00 3.43 N ATOM 1068 CZ ARG A 68 6.123 -10.988 6.665 1.00 4.32 C ATOM 1069 NH1 ARG A 68 7.257 -10.850 7.350 1.00 5.07 N ATOM 1070 NH2 ARG A 68 5.930 -12.063 5.907 1.00 4.82 N ATOM 0 H ARG A 68 4.498 -6.546 10.555 1.00 0.71 H new ATOM 0 HA ARG A 68 2.897 -5.825 8.248 1.00 0.83 H new ATOM 0 HB2 ARG A 68 3.865 -8.338 9.592 1.00 1.33 H new ATOM 0 HB3 ARG A 68 2.322 -8.470 8.772 1.00 1.33 H new ATOM 0 HG2 ARG A 68 3.302 -8.458 6.737 1.00 2.05 H new ATOM 0 HG3 ARG A 68 4.184 -6.989 7.103 1.00 2.05 H new ATOM 0 HD2 ARG A 68 6.094 -8.185 7.092 1.00 2.89 H new ATOM 0 HD3 ARG A 68 5.547 -9.022 8.532 1.00 2.89 H new ATOM 0 HE ARG A 68 4.315 -10.202 6.209 1.00 3.43 H new ATOM 0 HH11 ARG A 68 7.407 -10.022 7.927 1.00 5.07 H new ATOM 0 HH12 ARG A 68 7.976 -11.572 7.297 1.00 5.07 H new ATOM 0 HH21 ARG A 68 5.064 -12.165 5.378 1.00 4.82 H new ATOM 0 HH22 ARG A 68 6.648 -12.785 5.854 1.00 4.82 H new ATOM 1084 N GLU A 69 1.462 -6.094 11.122 1.00 1.22 N ATOM 1085 CA GLU A 69 0.155 -6.048 11.781 1.00 1.63 C ATOM 1086 C GLU A 69 -0.376 -4.631 11.880 1.00 1.50 C ATOM 1087 O GLU A 69 -1.572 -4.418 11.716 1.00 1.50 O ATOM 1088 CB GLU A 69 0.240 -6.658 13.183 1.00 2.31 C ATOM 1089 CG GLU A 69 0.408 -8.181 13.101 1.00 2.89 C ATOM 1090 CD GLU A 69 -0.449 -8.914 14.136 1.00 3.83 C ATOM 1091 OE1 GLU A 69 -1.684 -8.711 14.097 1.00 4.10 O ATOM 1092 OE2 GLU A 69 0.131 -9.696 14.921 1.00 4.76 O ATOM 0 H GLU A 69 2.258 -5.937 11.740 1.00 1.22 H new ATOM 0 HA GLU A 69 -0.534 -6.630 11.169 1.00 1.63 H new ATOM 0 HB2 GLU A 69 1.080 -6.223 13.724 1.00 2.31 H new ATOM 0 HB3 GLU A 69 -0.662 -6.416 13.746 1.00 2.31 H new ATOM 0 HG2 GLU A 69 0.138 -8.521 12.101 1.00 2.89 H new ATOM 0 HG3 GLU A 69 1.456 -8.438 13.252 1.00 2.89 H new ATOM 1099 N LEU A 70 0.475 -3.630 12.098 1.00 1.50 N ATOM 1100 CA LEU A 70 -0.001 -2.265 12.174 1.00 1.72 C ATOM 1101 C LEU A 70 -0.559 -1.820 10.830 1.00 1.31 C ATOM 1102 O LEU A 70 -1.484 -1.015 10.758 1.00 1.50 O ATOM 1103 CB LEU A 70 1.144 -1.394 12.690 1.00 2.13 C ATOM 1104 CG LEU A 70 2.090 -0.713 11.711 1.00 1.52 C ATOM 1105 CD1 LEU A 70 2.799 -1.714 10.819 1.00 3.31 C ATOM 1106 CD2 LEU A 70 1.372 0.363 10.926 1.00 2.20 C ATOM 0 H LEU A 70 1.481 -3.743 12.222 1.00 1.50 H new ATOM 0 HA LEU A 70 -0.832 -2.171 12.873 1.00 1.72 H new ATOM 0 HB2 LEU A 70 0.702 -0.613 13.309 1.00 2.13 H new ATOM 0 HB3 LEU A 70 1.752 -2.016 13.347 1.00 2.13 H new ATOM 0 HG LEU A 70 2.872 -0.220 12.288 1.00 1.52 H new ATOM 0 HD11 LEU A 70 3.464 -1.186 10.136 1.00 3.31 H new ATOM 0 HD12 LEU A 70 3.381 -2.401 11.434 1.00 3.31 H new ATOM 0 HD13 LEU A 70 2.062 -2.276 10.245 1.00 3.31 H new ATOM 0 HD21 LEU A 70 2.069 0.835 10.234 1.00 2.20 H new ATOM 0 HD22 LEU A 70 0.550 -0.083 10.366 1.00 2.20 H new ATOM 0 HD23 LEU A 70 0.979 1.113 11.612 1.00 2.20 H new ATOM 1118 N SER A 71 -0.016 -2.389 9.757 1.00 0.87 N ATOM 1119 CA SER A 71 -0.469 -2.213 8.383 1.00 0.83 C ATOM 1120 C SER A 71 -1.940 -2.559 8.214 1.00 0.63 C ATOM 1121 O SER A 71 -2.579 -2.177 7.240 1.00 0.77 O ATOM 1122 CB SER A 71 0.371 -3.076 7.447 1.00 1.01 C ATOM 1123 OG SER A 71 1.670 -3.145 7.954 1.00 2.18 O ATOM 0 H SER A 71 0.788 -3.013 9.826 1.00 0.87 H new ATOM 0 HA SER A 71 -0.347 -1.159 8.132 1.00 0.83 H new ATOM 0 HB2 SER A 71 -0.058 -4.075 7.366 1.00 1.01 H new ATOM 0 HB3 SER A 71 0.378 -2.650 6.444 1.00 1.01 H new ATOM 0 HG SER A 71 1.786 -3.986 8.443 1.00 2.18 H new ATOM 1129 N LYS A 72 -2.521 -3.290 9.156 1.00 0.55 N ATOM 1130 CA LYS A 72 -3.935 -3.590 9.126 1.00 0.73 C ATOM 1131 C LYS A 72 -4.777 -2.301 9.173 1.00 0.77 C ATOM 1132 O LYS A 72 -5.908 -2.305 8.699 1.00 0.99 O ATOM 1133 CB LYS A 72 -4.223 -4.545 10.292 1.00 0.89 C ATOM 1134 CG LYS A 72 -5.547 -5.281 10.067 1.00 1.12 C ATOM 1135 CD LYS A 72 -5.286 -6.690 9.530 1.00 2.60 C ATOM 1136 CE LYS A 72 -6.446 -7.108 8.626 1.00 3.21 C ATOM 1137 NZ LYS A 72 -6.187 -8.412 7.983 1.00 4.69 N ATOM 0 H LYS A 72 -2.025 -3.686 9.954 1.00 0.55 H new ATOM 0 HA LYS A 72 -4.216 -4.076 8.192 1.00 0.73 H new ATOM 0 HB2 LYS A 72 -3.411 -5.266 10.389 1.00 0.89 H new ATOM 0 HB3 LYS A 72 -4.265 -3.985 11.226 1.00 0.89 H new ATOM 0 HG2 LYS A 72 -6.103 -5.338 11.003 1.00 1.12 H new ATOM 0 HG3 LYS A 72 -6.165 -4.725 9.363 1.00 1.12 H new ATOM 0 HD2 LYS A 72 -4.349 -6.712 8.973 1.00 2.60 H new ATOM 0 HD3 LYS A 72 -5.182 -7.393 10.356 1.00 2.60 H new ATOM 0 HE2 LYS A 72 -7.363 -7.166 9.212 1.00 3.21 H new ATOM 0 HE3 LYS A 72 -6.604 -6.348 7.860 1.00 3.21 H new ATOM 0 HZ1 LYS A 72 -6.993 -8.666 7.377 1.00 4.69 H new ATOM 0 HZ2 LYS A 72 -5.325 -8.349 7.405 1.00 4.69 H new ATOM 0 HZ3 LYS A 72 -6.060 -9.141 8.714 1.00 4.69 H new ATOM 1151 N THR A 73 -4.226 -1.186 9.665 1.00 0.65 N ATOM 1152 CA THR A 73 -4.886 0.115 9.727 1.00 0.71 C ATOM 1153 C THR A 73 -4.661 0.924 8.438 1.00 0.67 C ATOM 1154 O THR A 73 -5.232 1.995 8.263 1.00 0.86 O ATOM 1155 CB THR A 73 -4.408 0.809 11.028 1.00 0.75 C ATOM 1156 OG1 THR A 73 -5.489 0.841 11.930 1.00 1.81 O ATOM 1157 CG2 THR A 73 -3.843 2.226 10.933 1.00 1.38 C ATOM 0 H THR A 73 -3.278 -1.168 10.042 1.00 0.65 H new ATOM 0 HA THR A 73 -5.970 0.016 9.776 1.00 0.71 H new ATOM 0 HB THR A 73 -3.557 0.204 11.342 1.00 0.75 H new ATOM 0 HG1 THR A 73 -5.208 1.275 12.762 1.00 1.81 H new ATOM 0 HG21 THR A 73 -3.554 2.570 11.926 1.00 1.38 H new ATOM 0 HG22 THR A 73 -2.970 2.227 10.281 1.00 1.38 H new ATOM 0 HG23 THR A 73 -4.602 2.894 10.524 1.00 1.38 H new ATOM 1165 N PHE A 74 -3.825 0.425 7.523 1.00 0.55 N ATOM 1166 CA PHE A 74 -3.450 1.113 6.292 1.00 0.52 C ATOM 1167 C PHE A 74 -4.300 0.605 5.151 1.00 0.48 C ATOM 1168 O PHE A 74 -4.429 1.272 4.133 1.00 0.51 O ATOM 1169 CB PHE A 74 -2.002 0.802 5.929 1.00 0.61 C ATOM 1170 CG PHE A 74 -0.947 1.416 6.791 1.00 0.68 C ATOM 1171 CD1 PHE A 74 -1.186 1.750 8.130 1.00 1.59 C ATOM 1172 CD2 PHE A 74 0.322 1.589 6.243 1.00 1.99 C ATOM 1173 CE1 PHE A 74 -0.167 2.260 8.930 1.00 1.59 C ATOM 1174 CE2 PHE A 74 1.348 2.100 7.030 1.00 2.09 C ATOM 1175 CZ PHE A 74 1.100 2.415 8.372 1.00 0.96 C ATOM 0 H PHE A 74 -3.382 -0.489 7.623 1.00 0.55 H new ATOM 0 HA PHE A 74 -3.587 2.183 6.450 1.00 0.52 H new ATOM 0 HB2 PHE A 74 -1.871 -0.280 5.950 1.00 0.61 H new ATOM 0 HB3 PHE A 74 -1.832 1.124 4.902 1.00 0.61 H new ATOM 0 HD1 PHE A 74 -2.172 1.610 8.547 1.00 1.59 H new ATOM 0 HD2 PHE A 74 0.508 1.327 5.212 1.00 1.99 H new ATOM 0 HE1 PHE A 74 -0.354 2.529 9.959 1.00 1.59 H new ATOM 0 HE2 PHE A 74 2.331 2.253 6.609 1.00 2.09 H new ATOM 0 HZ PHE A 74 1.907 2.785 8.987 1.00 0.96 H new ATOM 1185 N ILE A 75 -4.856 -0.595 5.290 1.00 0.49 N ATOM 1186 CA ILE A 75 -5.804 -1.083 4.329 1.00 0.44 C ATOM 1187 C ILE A 75 -6.968 -0.100 4.285 1.00 0.42 C ATOM 1188 O ILE A 75 -7.550 0.241 5.313 1.00 0.53 O ATOM 1189 CB ILE A 75 -6.187 -2.528 4.690 1.00 0.48 C ATOM 1190 CG1 ILE A 75 -5.959 -3.407 3.468 1.00 0.79 C ATOM 1191 CG2 ILE A 75 -7.629 -2.723 5.162 1.00 0.63 C ATOM 1192 CD1 ILE A 75 -5.960 -4.882 3.868 1.00 1.16 C ATOM 0 H ILE A 75 -4.659 -1.235 6.059 1.00 0.49 H new ATOM 0 HA ILE A 75 -5.398 -1.135 3.319 1.00 0.44 H new ATOM 0 HB ILE A 75 -5.556 -2.800 5.536 1.00 0.48 H new ATOM 0 HG12 ILE A 75 -6.739 -3.223 2.729 1.00 0.79 H new ATOM 0 HG13 ILE A 75 -5.009 -3.151 3.000 1.00 0.79 H new ATOM 0 HG21 ILE A 75 -7.798 -3.775 5.391 1.00 0.63 H new ATOM 0 HG22 ILE A 75 -7.803 -2.124 6.056 1.00 0.63 H new ATOM 0 HG23 ILE A 75 -8.315 -2.409 4.375 1.00 0.63 H new ATOM 0 HD11 ILE A 75 -5.796 -5.499 2.984 1.00 1.16 H new ATOM 0 HD12 ILE A 75 -5.164 -5.064 4.590 1.00 1.16 H new ATOM 0 HD13 ILE A 75 -6.921 -5.137 4.315 1.00 1.16 H new ATOM 1204 N ILE A 76 -7.308 0.357 3.087 1.00 0.38 N ATOM 1205 CA ILE A 76 -8.463 1.211 2.876 1.00 0.41 C ATOM 1206 C ILE A 76 -9.485 0.510 1.996 1.00 0.48 C ATOM 1207 O ILE A 76 -10.559 1.070 1.784 1.00 0.64 O ATOM 1208 CB ILE A 76 -8.035 2.580 2.324 1.00 0.44 C ATOM 1209 CG1 ILE A 76 -7.306 2.487 0.977 1.00 0.47 C ATOM 1210 CG2 ILE A 76 -7.121 3.267 3.332 1.00 0.48 C ATOM 1211 CD1 ILE A 76 -8.270 2.597 -0.184 1.00 0.71 C ATOM 0 H ILE A 76 -6.789 0.144 2.235 1.00 0.38 H new ATOM 0 HA ILE A 76 -8.948 1.403 3.833 1.00 0.41 H new ATOM 0 HB ILE A 76 -8.947 3.154 2.161 1.00 0.44 H new ATOM 0 HG12 ILE A 76 -6.562 3.280 0.910 1.00 0.47 H new ATOM 0 HG13 ILE A 76 -6.769 1.540 0.917 1.00 0.47 H new ATOM 0 HG21 ILE A 76 -6.816 4.238 2.943 1.00 0.48 H new ATOM 0 HG22 ILE A 76 -7.654 3.404 4.273 1.00 0.48 H new ATOM 0 HG23 ILE A 76 -6.238 2.651 3.502 1.00 0.48 H new ATOM 0 HD11 ILE A 76 -7.719 2.527 -1.122 1.00 0.71 H new ATOM 0 HD12 ILE A 76 -8.999 1.788 -0.130 1.00 0.71 H new ATOM 0 HD13 ILE A 76 -8.788 3.555 -0.138 1.00 0.71 H new ATOM 1223 N GLY A 77 -9.180 -0.698 1.511 1.00 0.52 N ATOM 1224 CA GLY A 77 -10.036 -1.470 0.634 1.00 0.63 C ATOM 1225 C GLY A 77 -9.351 -2.778 0.268 1.00 0.50 C ATOM 1226 O GLY A 77 -8.256 -3.070 0.749 1.00 0.49 O ATOM 0 H GLY A 77 -8.303 -1.170 1.730 1.00 0.52 H new ATOM 0 HA2 GLY A 77 -10.988 -1.672 1.125 1.00 0.63 H new ATOM 0 HA3 GLY A 77 -10.257 -0.900 -0.268 1.00 0.63 H new ATOM 1230 N GLU A 78 -9.964 -3.561 -0.610 1.00 0.52 N ATOM 1231 CA GLU A 78 -9.407 -4.791 -1.123 1.00 0.58 C ATOM 1232 C GLU A 78 -9.450 -4.687 -2.642 1.00 0.53 C ATOM 1233 O GLU A 78 -10.217 -3.894 -3.199 1.00 0.59 O ATOM 1234 CB GLU A 78 -10.187 -6.007 -0.599 1.00 0.83 C ATOM 1235 CG GLU A 78 -10.402 -5.945 0.926 1.00 2.16 C ATOM 1236 CD GLU A 78 -10.145 -7.279 1.633 1.00 2.30 C ATOM 1237 OE1 GLU A 78 -9.014 -7.805 1.496 1.00 2.68 O ATOM 1238 OE2 GLU A 78 -11.066 -7.742 2.340 1.00 3.06 O ATOM 0 H GLU A 78 -10.886 -3.347 -0.991 1.00 0.52 H new ATOM 0 HA GLU A 78 -8.380 -4.934 -0.787 1.00 0.58 H new ATOM 0 HB2 GLU A 78 -11.154 -6.060 -1.099 1.00 0.83 H new ATOM 0 HB3 GLU A 78 -9.647 -6.920 -0.852 1.00 0.83 H new ATOM 0 HG2 GLU A 78 -9.743 -5.186 1.348 1.00 2.16 H new ATOM 0 HG3 GLU A 78 -11.425 -5.627 1.128 1.00 2.16 H new ATOM 1245 N LEU A 79 -8.603 -5.465 -3.309 1.00 0.64 N ATOM 1246 CA LEU A 79 -8.571 -5.501 -4.755 1.00 0.71 C ATOM 1247 C LEU A 79 -9.876 -6.104 -5.252 1.00 0.53 C ATOM 1248 O LEU A 79 -10.439 -6.992 -4.611 1.00 0.74 O ATOM 1249 CB LEU A 79 -7.354 -6.321 -5.209 1.00 1.18 C ATOM 1250 CG LEU A 79 -6.152 -5.409 -5.470 1.00 0.79 C ATOM 1251 CD1 LEU A 79 -5.831 -4.481 -4.309 1.00 1.83 C ATOM 1252 CD2 LEU A 79 -4.893 -6.223 -5.755 1.00 1.31 C ATOM 0 H LEU A 79 -7.926 -6.082 -2.860 1.00 0.64 H new ATOM 0 HA LEU A 79 -8.474 -4.499 -5.172 1.00 0.71 H new ATOM 0 HB2 LEU A 79 -7.100 -7.056 -4.446 1.00 1.18 H new ATOM 0 HB3 LEU A 79 -7.600 -6.875 -6.115 1.00 1.18 H new ATOM 0 HG LEU A 79 -6.442 -4.810 -6.333 1.00 0.79 H new ATOM 0 HD11 LEU A 79 -4.969 -3.864 -4.564 1.00 1.83 H new ATOM 0 HD12 LEU A 79 -6.689 -3.840 -4.108 1.00 1.83 H new ATOM 0 HD13 LEU A 79 -5.605 -5.073 -3.422 1.00 1.83 H new ATOM 0 HD21 LEU A 79 -4.057 -5.548 -5.936 1.00 1.31 H new ATOM 0 HD22 LEU A 79 -4.668 -6.857 -4.898 1.00 1.31 H new ATOM 0 HD23 LEU A 79 -5.054 -6.846 -6.635 1.00 1.31 H new ATOM 1264 N HIS A 80 -10.343 -5.605 -6.395 1.00 0.43 N ATOM 1265 CA HIS A 80 -11.574 -6.064 -7.015 1.00 0.61 C ATOM 1266 C HIS A 80 -11.586 -7.583 -7.230 1.00 0.89 C ATOM 1267 O HIS A 80 -10.551 -8.255 -7.169 1.00 1.02 O ATOM 1268 CB HIS A 80 -11.801 -5.327 -8.346 1.00 0.74 C ATOM 1269 CG HIS A 80 -13.039 -4.467 -8.370 1.00 0.81 C ATOM 1270 ND1 HIS A 80 -13.944 -4.376 -9.406 1.00 1.35 N ATOM 1271 CD2 HIS A 80 -13.449 -3.614 -7.386 1.00 0.89 C ATOM 1272 CE1 HIS A 80 -14.879 -3.478 -9.045 1.00 1.33 C ATOM 1273 NE2 HIS A 80 -14.625 -3.000 -7.818 1.00 0.98 N ATOM 0 H HIS A 80 -9.871 -4.866 -6.916 1.00 0.43 H new ATOM 0 HA HIS A 80 -12.391 -5.834 -6.332 1.00 0.61 H new ATOM 0 HB2 HIS A 80 -10.933 -4.702 -8.555 1.00 0.74 H new ATOM 0 HB3 HIS A 80 -11.866 -6.061 -9.149 1.00 0.74 H new ATOM 0 HD2 HIS A 80 -12.952 -3.445 -6.442 1.00 0.89 H new ATOM 0 HE1 HIS A 80 -15.718 -3.183 -9.658 1.00 1.33 H new ATOM 0 HE2 HIS A 80 -15.183 -2.320 -7.301 1.00 0.98 H new ATOM 1281 N PRO A 81 -12.780 -8.136 -7.478 1.00 1.41 N ATOM 1282 CA PRO A 81 -12.976 -9.560 -7.617 1.00 1.86 C ATOM 1283 C PRO A 81 -12.446 -10.079 -8.948 1.00 1.75 C ATOM 1284 O PRO A 81 -13.200 -10.289 -9.893 1.00 2.85 O ATOM 1285 CB PRO A 81 -14.480 -9.784 -7.434 1.00 2.53 C ATOM 1286 CG PRO A 81 -15.144 -8.449 -7.747 1.00 2.52 C ATOM 1287 CD PRO A 81 -14.037 -7.415 -7.580 1.00 1.84 C ATOM 0 HA PRO A 81 -12.413 -10.124 -6.874 1.00 1.86 H new ATOM 0 HB2 PRO A 81 -14.842 -10.566 -8.101 1.00 2.53 H new ATOM 0 HB3 PRO A 81 -14.706 -10.103 -6.417 1.00 2.53 H new ATOM 0 HG2 PRO A 81 -15.548 -8.436 -8.759 1.00 2.52 H new ATOM 0 HG3 PRO A 81 -15.975 -8.252 -7.070 1.00 2.52 H new ATOM 0 HD2 PRO A 81 -14.019 -6.731 -8.429 1.00 1.84 H new ATOM 0 HD3 PRO A 81 -14.207 -6.812 -6.688 1.00 1.84 H new ATOM 1295 N ASP A 82 -11.133 -10.300 -8.995 1.00 1.88 N ATOM 1296 CA ASP A 82 -10.390 -10.743 -10.159 1.00 2.27 C ATOM 1297 C ASP A 82 -8.927 -10.951 -9.755 1.00 2.49 C ATOM 1298 O ASP A 82 -8.393 -12.041 -9.936 1.00 2.92 O ATOM 1299 CB ASP A 82 -10.560 -9.751 -11.326 1.00 2.72 C ATOM 1300 CG ASP A 82 -10.568 -8.265 -10.935 1.00 4.00 C ATOM 1301 OD1 ASP A 82 -9.633 -7.837 -10.225 1.00 5.62 O ATOM 1302 OD2 ASP A 82 -11.523 -7.561 -11.336 1.00 4.21 O ATOM 0 H ASP A 82 -10.536 -10.167 -8.179 1.00 1.88 H new ATOM 0 HA ASP A 82 -10.779 -11.695 -10.521 1.00 2.27 H new ATOM 0 HB2 ASP A 82 -9.754 -9.916 -12.041 1.00 2.72 H new ATOM 0 HB3 ASP A 82 -11.494 -9.978 -11.840 1.00 2.72 H new ATOM 1307 N ASP A 83 -8.305 -9.976 -9.088 1.00 2.39 N ATOM 1308 CA ASP A 83 -6.890 -10.029 -8.698 1.00 2.88 C ATOM 1309 C ASP A 83 -6.691 -10.740 -7.353 1.00 3.06 C ATOM 1310 O ASP A 83 -5.609 -10.767 -6.768 1.00 3.75 O ATOM 1311 CB ASP A 83 -6.329 -8.607 -8.667 1.00 2.99 C ATOM 1312 CG ASP A 83 -4.797 -8.575 -8.667 1.00 4.74 C ATOM 1313 OD1 ASP A 83 -4.175 -9.636 -8.898 1.00 5.94 O ATOM 1314 OD2 ASP A 83 -4.257 -7.465 -8.480 1.00 5.49 O ATOM 0 H ASP A 83 -8.773 -9.117 -8.799 1.00 2.39 H new ATOM 0 HA ASP A 83 -6.344 -10.617 -9.436 1.00 2.88 H new ATOM 0 HB2 ASP A 83 -6.700 -8.056 -9.531 1.00 2.99 H new ATOM 0 HB3 ASP A 83 -6.699 -8.094 -7.779 1.00 2.99 H new ATOM 1319 N ARG A 84 -7.761 -11.328 -6.820 1.00 2.79 N ATOM 1320 CA ARG A 84 -7.698 -12.107 -5.593 1.00 3.30 C ATOM 1321 C ARG A 84 -8.170 -13.539 -5.804 1.00 3.85 C ATOM 1322 O ARG A 84 -8.083 -14.317 -4.856 1.00 4.75 O ATOM 1323 CB ARG A 84 -8.522 -11.401 -4.504 1.00 3.42 C ATOM 1324 CG ARG A 84 -7.681 -10.860 -3.341 1.00 4.19 C ATOM 1325 CD ARG A 84 -8.158 -11.374 -1.980 1.00 5.33 C ATOM 1326 NE ARG A 84 -7.879 -12.811 -1.850 1.00 5.53 N ATOM 1327 CZ ARG A 84 -6.731 -13.333 -1.407 1.00 6.32 C ATOM 1328 NH1 ARG A 84 -5.741 -12.527 -1.019 1.00 7.29 N ATOM 1329 NH2 ARG A 84 -6.571 -14.654 -1.360 1.00 6.70 N ATOM 0 H ARG A 84 -8.694 -11.275 -7.229 1.00 2.79 H new ATOM 0 HA ARG A 84 -6.658 -12.170 -5.273 1.00 3.30 H new ATOM 0 HB2 ARG A 84 -9.072 -10.576 -4.956 1.00 3.42 H new ATOM 0 HB3 ARG A 84 -9.261 -12.099 -4.111 1.00 3.42 H new ATOM 0 HG2 ARG A 84 -6.639 -11.145 -3.488 1.00 4.19 H new ATOM 0 HG3 ARG A 84 -7.718 -9.771 -3.347 1.00 4.19 H new ATOM 0 HD2 ARG A 84 -7.658 -10.826 -1.181 1.00 5.33 H new ATOM 0 HD3 ARG A 84 -9.227 -11.193 -1.870 1.00 5.33 H new ATOM 0 HE ARG A 84 -8.618 -13.460 -2.119 1.00 5.53 H new ATOM 0 HH11 ARG A 84 -5.861 -11.515 -1.061 1.00 7.29 H new ATOM 0 HH12 ARG A 84 -4.864 -12.923 -0.681 1.00 7.29 H new ATOM 0 HH21 ARG A 84 -7.325 -15.270 -1.662 1.00 6.70 H new ATOM 0 HH22 ARG A 84 -5.694 -15.050 -1.022 1.00 6.70 H new ATOM 1343 N SER A 85 -8.680 -13.886 -6.995 1.00 3.56 N ATOM 1344 CA SER A 85 -9.240 -15.198 -7.303 1.00 4.26 C ATOM 1345 C SER A 85 -10.136 -15.719 -6.174 1.00 6.23 C ATOM 1346 O SER A 85 -10.026 -16.874 -5.768 1.00 6.99 O ATOM 1347 CB SER A 85 -8.093 -16.154 -7.653 1.00 3.64 C ATOM 1348 OG SER A 85 -7.716 -15.964 -9.001 1.00 3.48 O ATOM 0 H SER A 85 -8.712 -13.242 -7.786 1.00 3.56 H new ATOM 0 HA SER A 85 -9.898 -15.121 -8.169 1.00 4.26 H new ATOM 0 HB2 SER A 85 -7.241 -15.973 -6.997 1.00 3.64 H new ATOM 0 HB3 SER A 85 -8.404 -17.186 -7.493 1.00 3.64 H new ATOM 0 HG SER A 85 -6.982 -16.574 -9.224 1.00 3.48 H new ATOM 1354 N LYS A 86 -11.011 -14.863 -5.629 1.00 7.33 N ATOM 1355 CA LYS A 86 -11.807 -15.255 -4.468 1.00 9.52 C ATOM 1356 C LYS A 86 -13.072 -14.434 -4.316 1.00 10.94 C ATOM 1357 O LYS A 86 -14.149 -15.009 -4.160 1.00 12.36 O ATOM 1358 CB LYS A 86 -10.951 -15.125 -3.196 1.00 10.22 C ATOM 1359 CG LYS A 86 -10.789 -16.478 -2.498 1.00 11.80 C ATOM 1360 CD LYS A 86 -11.838 -16.670 -1.390 1.00 13.60 C ATOM 1361 CE LYS A 86 -12.576 -18.008 -1.511 1.00 14.38 C ATOM 1362 NZ LYS A 86 -14.041 -17.814 -1.601 1.00 15.00 N ATOM 0 H LYS A 86 -11.181 -13.916 -5.967 1.00 7.33 H new ATOM 0 HA LYS A 86 -12.115 -16.289 -4.621 1.00 9.52 H new ATOM 0 HB2 LYS A 86 -9.970 -14.726 -3.454 1.00 10.22 H new ATOM 0 HB3 LYS A 86 -11.415 -14.414 -2.513 1.00 10.22 H new ATOM 0 HG2 LYS A 86 -10.881 -17.280 -3.231 1.00 11.80 H new ATOM 0 HG3 LYS A 86 -9.789 -16.550 -2.070 1.00 11.80 H new ATOM 0 HD2 LYS A 86 -11.350 -16.614 -0.417 1.00 13.60 H new ATOM 0 HD3 LYS A 86 -12.560 -15.855 -1.432 1.00 13.60 H new ATOM 0 HE2 LYS A 86 -12.224 -18.540 -2.394 1.00 14.38 H new ATOM 0 HE3 LYS A 86 -12.343 -18.632 -0.648 1.00 14.38 H new ATOM 0 HZ1 LYS A 86 -14.509 -18.739 -1.682 1.00 15.00 H new ATOM 0 HZ2 LYS A 86 -14.380 -17.328 -0.746 1.00 15.00 H new ATOM 0 HZ3 LYS A 86 -14.264 -17.239 -2.438 1.00 15.00 H new ATOM 1376 N LEU A 87 -12.930 -13.108 -4.269 1.00 10.88 N ATOM 1377 CA LEU A 87 -14.085 -12.239 -4.152 1.00 12.44 C ATOM 1378 C LEU A 87 -14.906 -12.409 -5.416 1.00 13.11 C ATOM 1379 O LEU A 87 -14.347 -12.705 -6.471 1.00 12.55 O ATOM 1380 CB LEU A 87 -13.690 -10.766 -4.023 1.00 12.24 C ATOM 1381 CG LEU A 87 -12.773 -10.426 -2.846 1.00 11.55 C ATOM 1382 CD1 LEU A 87 -11.317 -10.613 -3.248 1.00 10.30 C ATOM 1383 CD2 LEU A 87 -12.996 -8.976 -2.452 1.00 12.04 C ATOM 0 H LEU A 87 -12.033 -12.624 -4.310 1.00 10.88 H new ATOM 0 HA LEU A 87 -14.640 -12.511 -3.254 1.00 12.44 H new ATOM 0 HB2 LEU A 87 -13.196 -10.459 -4.945 1.00 12.24 H new ATOM 0 HB3 LEU A 87 -14.599 -10.171 -3.935 1.00 12.24 H new ATOM 0 HG LEU A 87 -13.001 -11.086 -2.009 1.00 11.55 H new ATOM 0 HD11 LEU A 87 -10.672 -10.369 -2.404 1.00 10.30 H new ATOM 0 HD12 LEU A 87 -11.151 -11.649 -3.543 1.00 10.30 H new ATOM 0 HD13 LEU A 87 -11.083 -9.955 -4.085 1.00 10.30 H new ATOM 0 HD21 LEU A 87 -12.347 -8.723 -1.614 1.00 12.04 H new ATOM 0 HD22 LEU A 87 -12.764 -8.329 -3.298 1.00 12.04 H new ATOM 0 HD23 LEU A 87 -14.037 -8.834 -2.161 1.00 12.04 H new ATOM 1395 N SER A 88 -16.211 -12.180 -5.321 1.00 14.51 N ATOM 1396 CA SER A 88 -17.124 -12.319 -6.437 1.00 15.49 C ATOM 1397 C SER A 88 -18.512 -11.905 -5.959 1.00 16.79 C ATOM 1398 O SER A 88 -18.687 -11.589 -4.785 1.00 17.38 O ATOM 1399 CB SER A 88 -17.107 -13.775 -6.917 1.00 15.44 C ATOM 1400 OG SER A 88 -17.152 -13.801 -8.331 1.00 15.77 O ATOM 0 H SER A 88 -16.665 -11.890 -4.455 1.00 14.51 H new ATOM 0 HA SER A 88 -16.832 -11.686 -7.275 1.00 15.49 H new ATOM 0 HB2 SER A 88 -16.207 -14.277 -6.561 1.00 15.44 H new ATOM 0 HB3 SER A 88 -17.959 -14.316 -6.504 1.00 15.44 H new ATOM 0 HG SER A 88 -17.140 -14.730 -8.642 1.00 15.77 H new ATOM 1406 N LYS A 89 -19.504 -11.956 -6.851 1.00 17.44 N ATOM 1407 CA LYS A 89 -20.887 -11.596 -6.548 1.00 18.79 C ATOM 1408 C LYS A 89 -20.972 -10.101 -6.193 1.00 19.83 C ATOM 1409 O LYS A 89 -21.231 -9.739 -5.049 1.00 20.98 O ATOM 1410 CB LYS A 89 -21.455 -12.558 -5.476 1.00 19.44 C ATOM 1411 CG LYS A 89 -22.844 -13.094 -5.844 1.00 20.36 C ATOM 1412 CD LYS A 89 -23.899 -11.982 -5.912 1.00 21.01 C ATOM 1413 CE LYS A 89 -24.470 -11.836 -7.327 1.00 21.07 C ATOM 1414 NZ LYS A 89 -25.613 -12.747 -7.559 1.00 22.12 N ATOM 0 H LYS A 89 -19.365 -12.253 -7.817 1.00 17.44 H new ATOM 0 HA LYS A 89 -21.527 -11.723 -7.421 1.00 18.79 H new ATOM 0 HB2 LYS A 89 -20.769 -13.395 -5.344 1.00 19.44 H new ATOM 0 HB3 LYS A 89 -21.511 -12.038 -4.520 1.00 19.44 H new ATOM 0 HG2 LYS A 89 -22.792 -13.601 -6.807 1.00 20.36 H new ATOM 0 HG3 LYS A 89 -23.150 -13.838 -5.108 1.00 20.36 H new ATOM 0 HD2 LYS A 89 -24.706 -12.202 -5.213 1.00 21.01 H new ATOM 0 HD3 LYS A 89 -23.454 -11.037 -5.599 1.00 21.01 H new ATOM 0 HE2 LYS A 89 -24.789 -10.806 -7.485 1.00 21.07 H new ATOM 0 HE3 LYS A 89 -23.687 -12.043 -8.057 1.00 21.07 H new ATOM 0 HZ1 LYS A 89 -25.970 -12.617 -8.527 1.00 22.12 H new ATOM 0 HZ2 LYS A 89 -25.303 -13.732 -7.434 1.00 22.12 H new ATOM 0 HZ3 LYS A 89 -26.371 -12.533 -6.879 1.00 22.12 H new ATOM 1428 N PRO A 90 -20.748 -9.224 -7.184 1.00 19.63 N ATOM 1429 CA PRO A 90 -20.864 -7.787 -7.005 1.00 20.81 C ATOM 1430 C PRO A 90 -22.333 -7.387 -6.841 1.00 22.03 C ATOM 1431 O PRO A 90 -23.225 -8.239 -6.849 1.00 22.25 O ATOM 1432 CB PRO A 90 -20.221 -7.169 -8.250 1.00 20.35 C ATOM 1433 CG PRO A 90 -20.326 -8.248 -9.330 1.00 19.11 C ATOM 1434 CD PRO A 90 -20.527 -9.564 -8.578 1.00 18.59 C ATOM 0 HA PRO A 90 -20.364 -7.434 -6.103 1.00 20.81 H new ATOM 0 HB2 PRO A 90 -20.739 -6.258 -8.551 1.00 20.35 H new ATOM 0 HB3 PRO A 90 -19.182 -6.898 -8.064 1.00 20.35 H new ATOM 0 HG2 PRO A 90 -21.160 -8.049 -10.003 1.00 19.11 H new ATOM 0 HG3 PRO A 90 -19.424 -8.280 -9.941 1.00 19.11 H new ATOM 0 HD2 PRO A 90 -21.378 -10.113 -8.981 1.00 18.59 H new ATOM 0 HD3 PRO A 90 -19.653 -10.207 -8.685 1.00 18.59 H new ATOM 1442 N MET A 91 -22.587 -6.083 -6.708 1.00 22.97 N ATOM 1443 CA MET A 91 -23.915 -5.542 -6.476 1.00 24.28 C ATOM 1444 C MET A 91 -24.115 -4.363 -7.418 1.00 24.59 C ATOM 1445 O MET A 91 -23.188 -3.575 -7.595 1.00 24.38 O ATOM 1446 CB MET A 91 -24.017 -5.106 -5.008 1.00 25.50 C ATOM 1447 CG MET A 91 -25.479 -4.944 -4.588 1.00 26.80 C ATOM 1448 SD MET A 91 -26.153 -3.291 -4.910 1.00 28.02 S ATOM 1449 CE MET A 91 -27.779 -3.709 -5.585 1.00 28.65 C ATOM 0 H MET A 91 -21.861 -5.369 -6.760 1.00 22.97 H new ATOM 0 HA MET A 91 -24.690 -6.284 -6.669 1.00 24.28 H new ATOM 0 HB2 MET A 91 -23.531 -5.844 -4.370 1.00 25.50 H new ATOM 0 HB3 MET A 91 -23.487 -4.164 -4.866 1.00 25.50 H new ATOM 0 HG2 MET A 91 -26.083 -5.682 -5.116 1.00 26.80 H new ATOM 0 HG3 MET A 91 -25.568 -5.162 -3.524 1.00 26.80 H new ATOM 0 HE1 MET A 91 -28.152 -2.875 -6.179 1.00 28.65 H new ATOM 0 HE2 MET A 91 -27.695 -4.594 -6.215 1.00 28.65 H new ATOM 0 HE3 MET A 91 -28.471 -3.910 -4.768 1.00 28.65 H new ATOM 1459 N GLU A 92 -25.297 -4.246 -8.026 1.00 25.22 N ATOM 1460 CA GLU A 92 -25.639 -3.116 -8.876 1.00 25.77 C ATOM 1461 C GLU A 92 -27.167 -3.087 -9.042 1.00 26.77 C ATOM 1462 O GLU A 92 -27.830 -4.063 -8.684 1.00 27.03 O ATOM 1463 CB GLU A 92 -24.877 -3.261 -10.207 1.00 24.73 C ATOM 1464 CG GLU A 92 -24.588 -1.901 -10.858 1.00 25.31 C ATOM 1465 CD GLU A 92 -25.516 -1.572 -12.018 1.00 25.85 C ATOM 1466 OE1 GLU A 92 -26.581 -2.222 -12.083 1.00 26.19 O ATOM 1467 OE2 GLU A 92 -25.119 -0.687 -12.805 1.00 26.04 O ATOM 0 H GLU A 92 -26.042 -4.937 -7.939 1.00 25.22 H new ATOM 0 HA GLU A 92 -25.343 -2.161 -8.442 1.00 25.77 H new ATOM 0 HB2 GLU A 92 -23.938 -3.785 -10.031 1.00 24.73 H new ATOM 0 HB3 GLU A 92 -25.461 -3.874 -10.893 1.00 24.73 H new ATOM 0 HG2 GLU A 92 -24.674 -1.120 -10.102 1.00 25.31 H new ATOM 0 HG3 GLU A 92 -23.558 -1.889 -11.213 1.00 25.31 H new ATOM 1474 N THR A 93 -27.743 -1.986 -9.529 1.00 27.50 N ATOM 1475 CA THR A 93 -29.164 -1.901 -9.830 1.00 28.45 C ATOM 1476 C THR A 93 -29.405 -0.782 -10.845 1.00 28.88 C ATOM 1477 O THR A 93 -28.784 0.276 -10.740 1.00 29.21 O ATOM 1478 CB THR A 93 -29.954 -1.646 -8.532 1.00 29.71 C ATOM 1479 OG1 THR A 93 -31.347 -1.694 -8.772 1.00 30.55 O ATOM 1480 CG2 THR A 93 -29.623 -0.302 -7.870 1.00 30.28 C ATOM 0 H THR A 93 -27.230 -1.127 -9.725 1.00 27.50 H new ATOM 0 HA THR A 93 -29.507 -2.841 -10.262 1.00 28.45 H new ATOM 0 HB THR A 93 -29.653 -2.441 -7.850 1.00 29.71 H new ATOM 0 HG1 THR A 93 -31.829 -1.531 -7.934 1.00 30.55 H new ATOM 0 HG21 THR A 93 -30.215 -0.188 -6.962 1.00 30.28 H new ATOM 0 HG22 THR A 93 -28.563 -0.272 -7.618 1.00 30.28 H new ATOM 0 HG23 THR A 93 -29.856 0.510 -8.559 1.00 30.28 H new ATOM 1488 N LEU A 94 -30.429 -0.974 -11.689 1.00 29.17 N ATOM 1489 CA LEU A 94 -30.887 -0.054 -12.732 1.00 29.73 C ATOM 1490 C LEU A 94 -29.753 0.370 -13.676 1.00 28.89 C ATOM 1491 O LEU A 94 -29.937 1.363 -14.408 1.00 29.27 O ATOM 1492 CB LEU A 94 -31.692 1.092 -12.089 1.00 31.09 C ATOM 1493 CG LEU A 94 -32.358 2.002 -13.137 1.00 31.72 C ATOM 1494 CD1 LEU A 94 -33.798 2.305 -12.712 1.00 33.19 C ATOM 1495 CD2 LEU A 94 -31.620 3.336 -13.317 1.00 32.01 C ATOM 1496 OXT LEU A 94 -28.779 -0.398 -13.757 1.00 27.96 O ATOM 0 H LEU A 94 -30.990 -1.825 -11.657 1.00 29.17 H new ATOM 0 HA LEU A 94 -31.577 -0.565 -13.403 1.00 29.73 H new ATOM 0 HB2 LEU A 94 -32.458 0.673 -11.437 1.00 31.09 H new ATOM 0 HB3 LEU A 94 -31.031 1.689 -11.461 1.00 31.09 H new ATOM 0 HG LEU A 94 -32.328 1.466 -14.085 1.00 31.72 H new ATOM 0 HD11 LEU A 94 -34.269 2.949 -13.455 1.00 33.19 H new ATOM 0 HD12 LEU A 94 -34.358 1.373 -12.633 1.00 33.19 H new ATOM 0 HD13 LEU A 94 -33.794 2.809 -11.745 1.00 33.19 H new ATOM 0 HD21 LEU A 94 -32.133 3.937 -14.067 1.00 32.01 H new ATOM 0 HD22 LEU A 94 -31.605 3.874 -12.369 1.00 32.01 H new ATOM 0 HD23 LEU A 94 -30.597 3.145 -13.642 1.00 32.01 H new TER 1508 LEU A 94 HETATM 1509 FE HEM A 95 8.380 -0.012 5.732 1.00 0.51 FE HETATM 1510 CHA HEM A 95 11.205 -0.256 7.701 1.00 0.55 C HETATM 1511 CHB HEM A 95 6.404 0.067 8.540 1.00 0.46 C HETATM 1512 CHC HEM A 95 5.601 0.041 3.697 1.00 0.79 C HETATM 1513 CHD HEM A 95 10.416 0.062 2.877 1.00 0.51 C HETATM 1514 NA HEM A 95 8.733 -0.087 7.753 1.00 0.48 N HETATM 1515 C1A HEM A 95 9.956 -0.247 8.319 1.00 0.51 C HETATM 1516 C2A HEM A 95 9.759 -0.425 9.738 1.00 0.52 C HETATM 1517 C3A HEM A 95 8.421 -0.225 9.994 1.00 0.48 C HETATM 1518 C4A HEM A 95 7.772 -0.064 8.714 1.00 0.45 C HETATM 1519 CMA HEM A 95 7.731 -0.208 11.337 1.00 0.52 C HETATM 1520 CAA HEM A 95 10.869 -0.716 10.722 1.00 0.62 C HETATM 1521 CBA HEM A 95 11.464 -2.122 10.538 1.00 1.51 C HETATM 1522 CGA HEM A 95 12.966 -2.200 10.821 1.00 1.99 C HETATM 1523 O1A HEM A 95 13.536 -3.268 10.511 1.00 2.89 O HETATM 1524 O2A HEM A 95 13.527 -1.205 11.332 1.00 2.69 O HETATM 1525 NB HEM A 95 6.398 0.077 6.048 1.00 0.61 N HETATM 1526 C1B HEM A 95 5.806 0.103 7.278 1.00 0.57 C HETATM 1527 C2B HEM A 95 4.383 0.143 7.070 1.00 0.68 C HETATM 1528 C3B HEM A 95 4.172 0.164 5.718 1.00 0.85 C HETATM 1529 C4B HEM A 95 5.448 0.115 5.066 1.00 0.77 C HETATM 1530 CMB HEM A 95 3.373 0.144 8.162 1.00 0.67 C HETATM 1531 CAB HEM A 95 2.867 -0.110 5.005 1.00 0.85 C HETATM 1532 CBB HEM A 95 2.021 -1.087 5.372 1.00 0.88 C HETATM 1533 NC HEM A 95 8.061 0.034 3.668 1.00 0.56 N HETATM 1534 C1C HEM A 95 6.831 0.005 3.083 1.00 0.67 C HETATM 1535 C2C HEM A 95 7.006 -0.081 1.659 1.00 0.69 C HETATM 1536 C3C HEM A 95 8.364 -0.064 1.441 1.00 0.55 C HETATM 1537 C4C HEM A 95 9.037 0.027 2.709 1.00 0.53 C HETATM 1538 CMC HEM A 95 5.897 -0.184 0.643 1.00 0.94 C HETATM 1539 CAC HEM A 95 9.060 -0.449 0.155 1.00 0.40 C HETATM 1540 CBC HEM A 95 8.388 -1.075 -0.829 1.00 1.22 C HETATM 1541 ND HEM A 95 10.441 -0.008 5.360 1.00 0.52 N HETATM 1542 C1D HEM A 95 11.028 0.057 4.127 1.00 0.52 C HETATM 1543 C2D HEM A 95 12.454 0.112 4.329 1.00 0.55 C HETATM 1544 C3D HEM A 95 12.678 0.035 5.684 1.00 0.57 C HETATM 1545 C4D HEM A 95 11.391 -0.088 6.329 1.00 0.54 C HETATM 1546 CMD HEM A 95 13.504 0.270 3.255 1.00 0.58 C HETATM 1547 CAD HEM A 95 14.026 0.077 6.368 1.00 0.64 C HETATM 1548 CBD HEM A 95 14.809 -1.239 6.295 1.00 1.55 C HETATM 1549 CGD HEM A 95 13.903 -2.462 6.413 1.00 2.93 C HETATM 1550 O1D HEM A 95 13.517 -2.987 5.344 1.00 4.24 O HETATM 1551 O2D HEM A 95 13.600 -2.846 7.561 1.00 3.76 O HETATM 0 HMA1 HEM A 95 8.278 -0.841 12.035 1.00 0.52 H new HETATM 0 HMA2 HEM A 95 6.713 -0.583 11.228 1.00 0.52 H new HETATM 0 HMA3 HEM A 95 7.703 0.813 11.719 1.00 0.52 H new HETATM 0 HMB1 HEM A 95 3.766 -0.399 9.022 1.00 0.67 H new HETATM 0 HMB2 HEM A 95 2.460 -0.340 7.814 1.00 0.67 H new HETATM 0 HMB3 HEM A 95 3.151 1.171 8.452 1.00 0.67 H new HETATM 0 HMC1 HEM A 95 6.214 0.282 -0.290 1.00 0.94 H new HETATM 0 HMC2 HEM A 95 5.010 0.326 1.020 1.00 0.94 H new HETATM 0 HMC3 HEM A 95 5.664 -1.234 0.464 1.00 0.94 H new HETATM 0 HMD1 HEM A 95 14.368 0.792 3.665 1.00 0.58 H new HETATM 0 HMD2 HEM A 95 13.092 0.845 2.426 1.00 0.58 H new HETATM 0 HMD3 HEM A 95 13.810 -0.713 2.898 1.00 0.58 H new HETATM 0 HBB1 HEM A 95 1.093 -1.240 4.821 1.00 0.88 H new HETATM 0 HBB2 HEM A 95 2.263 -1.727 6.221 1.00 0.88 H new HETATM 0 HBC1 HEM A 95 8.901 -1.347 -1.751 1.00 1.22 H new HETATM 0 HBC2 HEM A 95 7.331 -1.310 -0.703 1.00 1.22 H new HETATM 0 HBA1 HEM A 95 11.279 -2.454 9.516 1.00 1.51 H new HETATM 0 HBA2 HEM A 95 10.943 -2.816 11.198 1.00 1.51 H new HETATM 0 HAA1 HEM A 95 10.485 -0.617 11.737 1.00 0.62 H new HETATM 0 HAA2 HEM A 95 11.658 0.027 10.605 1.00 0.62 H new HETATM 0 HBD1 HEM A 95 15.551 -1.262 7.093 1.00 1.55 H new HETATM 0 HBD2 HEM A 95 15.353 -1.283 5.352 1.00 1.55 H new HETATM 0 HAD1 HEM A 95 13.881 0.343 7.415 1.00 0.64 H new HETATM 0 HAD2 HEM A 95 14.625 0.869 5.918 1.00 0.64 H new HETATM 0 HHA HEM A 95 12.078 -0.401 8.319 1.00 0.55 H new HETATM 0 HHB HEM A 95 5.775 0.144 9.414 1.00 0.46 H new HETATM 0 HHC HEM A 95 4.715 0.010 3.080 1.00 0.79 H new HETATM 0 HHD HEM A 95 11.042 0.095 1.997 1.00 0.51 H new HETATM 0 HAB HEM A 95 2.600 0.515 4.153 1.00 0.85 H new HETATM 0 HAC HEM A 95 10.117 -0.217 0.023 1.00 0.40 H new