USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 812 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 HIS : no HD1:sc= -0.335 X(o=-3.7,f=-3.2) USER MOD Set 1.2: A 87 GLN : amide:sc= -3.34 K(o=-3.7,f=-7.5!) USER MOD Set 2.1: A 18 ASN : amide:sc= -0.0136 X(o=-2.4,f=-2.4) USER MOD Set 2.2: A 22 ASN : amide:sc= -2.04 K(o=-2.4,f=-4) USER MOD Set 2.3: A 81 THR OG1 : rot -149:sc= -0.37 USER MOD Set 3.1: A 24 HIS : no HD1:sc= -2.44 K(o=-4.4,f=-6.8!) USER MOD Set 3.2: A 74 HIS : no HD1:sc= -1.68 K(o=-4.4,f=-6.3) USER MOD Set 3.3: A 76 GLN : amide:sc= -0.246 K(o=-4.4,f=-3.9) USER MOD Set 4.1: A 53 SER OG : rot 177:sc= -3.3! USER MOD Set 4.2: A 56 LYS NZ :NH3+ 152:sc= -1.3 (180deg=-2.06!) USER MOD Set 5.1: A 36 HIS : no HD1:sc= -0.928 K(o=-0.93,f=-2.8) USER MOD Set 5.2: A 66 GLN : amide:sc= 0 K(o=-0.93,f=-2.8) USER MOD Set 6.1: A 27 LYS NZ :NH3+ 166:sc=-0.00708 (180deg=-0.115) USER MOD Set 6.2: A 31 HIS : no HD1:sc= -0.494 K(o=-3.6,f=-2.7) USER MOD Set 6.3: A 35 ASN : amide:sc= -3.06 K(o=-3.6,f=-2.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= -0.0776 (180deg=-0.411) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0468) USER MOD Single : A 6 ASN : amide:sc= -4.41 K(o=-4.4,f=-16!) USER MOD Single : A 13 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -13.1! C(o=-13!,f=-14!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.306 X(o=0.31,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc=-0.00661 X(o=-0.0066,f=-0.27) USER MOD Single : A 45 HIS : no HD1:sc= -6.83! C(o=-6.8!,f=-3!) USER MOD Single : A 48 MET CE :methyl -109:sc= -6.58! (180deg=-9.32!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -3.26! C(o=-3.3!,f=-7.9!) USER MOD Single : A 60 MET CE :methyl -151:sc= -2.63 (180deg=-6.41!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0313) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 73 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.11) USER MOD Single : A 84 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.32) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.251 -21.918 5.268 1.00 0.00 N ATOM 2 CA MET A 1 -0.528 -20.725 5.692 1.00 0.00 C ATOM 3 C MET A 1 0.110 -19.439 5.179 1.00 0.00 C ATOM 4 O MET A 1 1.003 -18.881 5.816 1.00 0.00 O ATOM 5 CB MET A 1 -0.600 -20.707 7.221 1.00 0.00 C ATOM 6 CG MET A 1 0.734 -20.978 7.897 1.00 0.00 C ATOM 7 SD MET A 1 0.654 -20.799 9.689 1.00 0.00 S ATOM 8 CE MET A 1 0.686 -22.515 10.202 1.00 0.00 C ATOM 0 H1 MET A 1 0.028 -22.718 5.894 1.00 0.00 H new ATOM 0 H2 MET A 1 0.003 -22.165 4.289 1.00 0.00 H new ATOM 0 H3 MET A 1 1.268 -21.707 5.325 1.00 0.00 H new ATOM 0 HA MET A 1 -1.531 -20.784 5.270 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.972 -19.736 7.547 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.323 -21.453 7.551 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.063 -21.988 7.651 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.484 -20.293 7.501 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.643 -22.570 11.290 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.171 -23.038 9.777 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.606 -22.982 9.851 1.00 0.00 H new ATOM 20 N TYR A 2 -0.354 -18.974 4.024 1.00 0.00 N ATOM 21 CA TYR A 2 0.171 -17.754 3.423 1.00 0.00 C ATOM 22 C TYR A 2 -0.743 -16.568 3.713 1.00 0.00 C ATOM 23 O TYR A 2 -1.191 -15.875 2.798 1.00 0.00 O ATOM 24 CB TYR A 2 0.333 -17.936 1.911 1.00 0.00 C ATOM 25 CG TYR A 2 1.411 -18.927 1.533 1.00 0.00 C ATOM 26 CD1 TYR A 2 2.730 -18.730 1.920 1.00 0.00 C ATOM 27 CD2 TYR A 2 1.108 -20.061 0.788 1.00 0.00 C ATOM 28 CE1 TYR A 2 3.717 -19.635 1.577 1.00 0.00 C ATOM 29 CE2 TYR A 2 2.089 -20.969 0.441 1.00 0.00 C ATOM 30 CZ TYR A 2 3.392 -20.752 0.837 1.00 0.00 C ATOM 31 OH TYR A 2 4.371 -21.655 0.494 1.00 0.00 O ATOM 0 H TYR A 2 -1.094 -19.424 3.485 1.00 0.00 H new ATOM 0 HA TYR A 2 1.147 -17.550 3.863 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.616 -18.266 1.489 1.00 0.00 H new ATOM 0 HB3 TYR A 2 0.564 -16.971 1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 2 2.989 -17.855 2.498 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.089 -20.235 0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 2 4.738 -19.468 1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 2 1.837 -21.845 -0.138 1.00 0.00 H new ATOM 0 HH TYR A 2 3.975 -22.385 -0.026 1.00 0.00 H new ATOM 41 N GLY A 3 -1.020 -16.339 4.993 1.00 0.00 N ATOM 42 CA GLY A 3 -1.881 -15.237 5.380 1.00 0.00 C ATOM 43 C GLY A 3 -1.185 -14.234 6.278 1.00 0.00 C ATOM 44 O GLY A 3 -1.561 -13.063 6.316 1.00 0.00 O ATOM 0 H GLY A 3 -0.663 -16.897 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.238 -14.729 4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.758 -15.630 5.894 1.00 0.00 H new ATOM 48 N LYS A 4 -0.169 -14.689 7.003 1.00 0.00 N ATOM 49 CA LYS A 4 0.574 -13.812 7.903 1.00 0.00 C ATOM 50 C LYS A 4 1.273 -12.712 7.137 1.00 0.00 C ATOM 51 O LYS A 4 1.641 -11.689 7.715 1.00 0.00 O ATOM 52 CB LYS A 4 1.590 -14.604 8.720 1.00 0.00 C ATOM 53 CG LYS A 4 2.162 -13.826 9.893 1.00 0.00 C ATOM 54 CD LYS A 4 1.228 -13.856 11.091 1.00 0.00 C ATOM 55 CE LYS A 4 1.760 -13.002 12.232 1.00 0.00 C ATOM 56 NZ LYS A 4 3.012 -13.561 12.808 1.00 0.00 N ATOM 0 H LYS A 4 0.158 -15.655 6.986 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.145 -13.357 8.585 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.116 -15.512 9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.406 -14.915 8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.128 -14.246 10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.339 -12.793 9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.242 -13.497 10.795 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.104 -14.884 11.431 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.947 -11.990 11.871 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.003 -12.928 13.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.277 -13.019 13.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.861 -14.557 13.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.776 -13.499 12.105 1.00 0.00 H new ATOM 70 N LEU A 5 1.427 -12.891 5.831 1.00 0.00 N ATOM 71 CA LEU A 5 2.049 -11.865 5.018 1.00 0.00 C ATOM 72 C LEU A 5 1.363 -10.529 5.290 1.00 0.00 C ATOM 73 O LEU A 5 1.948 -9.462 5.106 1.00 0.00 O ATOM 74 CB LEU A 5 1.963 -12.219 3.532 1.00 0.00 C ATOM 75 CG LEU A 5 3.147 -11.747 2.689 1.00 0.00 C ATOM 76 CD1 LEU A 5 3.470 -10.294 3.000 1.00 0.00 C ATOM 77 CD2 LEU A 5 4.365 -12.629 2.934 1.00 0.00 C ATOM 0 H LEU A 5 1.133 -13.725 5.322 1.00 0.00 H new ATOM 0 HA LEU A 5 3.105 -11.793 5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.876 -13.301 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.049 -11.788 3.123 1.00 0.00 H new ATOM 0 HG LEU A 5 2.875 -11.825 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.315 -9.971 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.603 -9.672 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.723 -10.195 4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.198 -12.277 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.641 -12.583 3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.129 -13.659 2.665 1.00 0.00 H new ATOM 89 N ASN A 6 0.112 -10.608 5.754 1.00 0.00 N ATOM 90 CA ASN A 6 -0.660 -9.424 6.076 1.00 0.00 C ATOM 91 C ASN A 6 0.034 -8.599 7.151 1.00 0.00 C ATOM 92 O ASN A 6 0.075 -7.371 7.072 1.00 0.00 O ATOM 93 CB ASN A 6 -2.065 -9.803 6.537 1.00 0.00 C ATOM 94 CG ASN A 6 -2.051 -10.767 7.707 1.00 0.00 C ATOM 95 OD1 ASN A 6 -1.012 -11.334 8.047 1.00 0.00 O ATOM 96 ND2 ASN A 6 -3.208 -10.959 8.329 1.00 0.00 N ATOM 0 H ASN A 6 -0.381 -11.487 5.912 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.738 -8.822 5.171 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.607 -8.901 6.820 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.608 -10.253 5.706 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.261 -11.598 9.123 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.044 -10.468 8.013 1.00 0.00 H new ATOM 103 N ASP A 7 0.590 -9.278 8.154 1.00 0.00 N ATOM 104 CA ASP A 7 1.293 -8.596 9.238 1.00 0.00 C ATOM 105 C ASP A 7 2.272 -7.576 8.666 1.00 0.00 C ATOM 106 O ASP A 7 2.514 -6.524 9.256 1.00 0.00 O ATOM 107 CB ASP A 7 2.028 -9.613 10.125 1.00 0.00 C ATOM 108 CG ASP A 7 3.416 -9.958 9.611 1.00 0.00 C ATOM 109 OD1 ASP A 7 4.320 -9.104 9.725 1.00 0.00 O ATOM 110 OD2 ASP A 7 3.598 -11.081 9.098 1.00 0.00 O ATOM 0 H ASP A 7 0.567 -10.294 8.238 1.00 0.00 H new ATOM 0 HA ASP A 7 0.563 -8.071 9.854 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.110 -9.212 11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.434 -10.525 10.191 1.00 0.00 H new ATOM 115 N LEU A 8 2.819 -7.902 7.500 1.00 0.00 N ATOM 116 CA LEU A 8 3.761 -7.024 6.821 1.00 0.00 C ATOM 117 C LEU A 8 3.016 -6.031 5.939 1.00 0.00 C ATOM 118 O LEU A 8 3.476 -4.909 5.727 1.00 0.00 O ATOM 119 CB LEU A 8 4.742 -7.847 5.977 1.00 0.00 C ATOM 120 CG LEU A 8 5.728 -7.035 5.130 1.00 0.00 C ATOM 121 CD1 LEU A 8 5.047 -6.488 3.883 1.00 0.00 C ATOM 122 CD2 LEU A 8 6.339 -5.906 5.947 1.00 0.00 C ATOM 0 H LEU A 8 2.624 -8.772 7.005 1.00 0.00 H new ATOM 0 HA LEU A 8 4.324 -6.471 7.573 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.311 -8.496 6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.169 -8.495 5.314 1.00 0.00 H new ATOM 0 HG LEU A 8 6.531 -7.701 4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.766 -5.915 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.667 -7.315 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.219 -5.841 4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.036 -5.343 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.549 -5.243 6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.871 -6.322 6.802 1.00 0.00 H new ATOM 134 N LEU A 9 1.861 -6.448 5.430 1.00 0.00 N ATOM 135 CA LEU A 9 1.057 -5.587 4.576 1.00 0.00 C ATOM 136 C LEU A 9 0.472 -4.432 5.386 1.00 0.00 C ATOM 137 O LEU A 9 0.333 -3.317 4.889 1.00 0.00 O ATOM 138 CB LEU A 9 -0.068 -6.389 3.916 1.00 0.00 C ATOM 139 CG LEU A 9 -0.184 -6.220 2.399 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.438 -6.907 1.883 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.187 -4.744 2.018 1.00 0.00 C ATOM 0 H LEU A 9 1.464 -7.373 5.594 1.00 0.00 H new ATOM 0 HA LEU A 9 1.699 -5.179 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.082 -7.446 4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.015 -6.099 4.371 1.00 0.00 H new ATOM 0 HG LEU A 9 0.684 -6.689 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.506 -6.777 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.394 -7.970 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.315 -6.467 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.270 -4.648 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.033 -4.247 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.740 -4.280 2.353 1.00 0.00 H new ATOM 153 N GLU A 10 0.134 -4.714 6.641 1.00 0.00 N ATOM 154 CA GLU A 10 -0.439 -3.706 7.530 1.00 0.00 C ATOM 155 C GLU A 10 0.434 -2.454 7.585 1.00 0.00 C ATOM 156 O GLU A 10 -0.072 -1.333 7.547 1.00 0.00 O ATOM 157 CB GLU A 10 -0.615 -4.283 8.937 1.00 0.00 C ATOM 158 CG GLU A 10 -2.057 -4.610 9.284 1.00 0.00 C ATOM 159 CD GLU A 10 -2.183 -5.394 10.576 1.00 0.00 C ATOM 160 OE1 GLU A 10 -1.733 -6.560 10.609 1.00 0.00 O ATOM 161 OE2 GLU A 10 -2.730 -4.844 11.555 1.00 0.00 O ATOM 0 H GLU A 10 0.247 -5.634 7.067 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.413 -3.422 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.014 -5.188 9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.228 -3.569 9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.625 -3.684 9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.501 -5.184 8.471 1.00 0.00 H new ATOM 168 N ASP A 11 1.747 -2.651 7.675 1.00 0.00 N ATOM 169 CA ASP A 11 2.689 -1.536 7.737 1.00 0.00 C ATOM 170 C ASP A 11 2.394 -0.509 6.646 1.00 0.00 C ATOM 171 O ASP A 11 2.448 0.698 6.882 1.00 0.00 O ATOM 172 CB ASP A 11 4.124 -2.047 7.600 1.00 0.00 C ATOM 173 CG ASP A 11 5.073 -1.374 8.572 1.00 0.00 C ATOM 174 OD1 ASP A 11 4.844 -1.481 9.795 1.00 0.00 O ATOM 175 OD2 ASP A 11 6.044 -0.738 8.110 1.00 0.00 O ATOM 0 H ASP A 11 2.183 -3.573 7.707 1.00 0.00 H new ATOM 0 HA ASP A 11 2.574 -1.050 8.706 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.141 -3.124 7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.471 -1.877 6.581 1.00 0.00 H new ATOM 180 N LEU A 12 2.080 -1.002 5.453 1.00 0.00 N ATOM 181 CA LEU A 12 1.771 -0.141 4.320 1.00 0.00 C ATOM 182 C LEU A 12 0.609 0.787 4.653 1.00 0.00 C ATOM 183 O LEU A 12 0.751 2.008 4.641 1.00 0.00 O ATOM 184 CB LEU A 12 1.454 -0.997 3.076 1.00 0.00 C ATOM 185 CG LEU A 12 0.209 -0.600 2.260 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.471 -0.753 0.770 1.00 0.00 C ATOM 187 CD2 LEU A 12 -0.998 -1.435 2.672 1.00 0.00 C ATOM 0 H LEU A 12 2.033 -2.000 5.246 1.00 0.00 H new ATOM 0 HA LEU A 12 2.641 0.478 4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.319 -0.967 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.334 -2.032 3.397 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.009 0.447 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.421 -0.467 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.302 -0.111 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.720 -1.791 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.865 -1.137 2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.787 -2.490 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.207 -1.276 3.730 1.00 0.00 H new ATOM 199 N GLN A 13 -0.541 0.198 4.945 1.00 0.00 N ATOM 200 CA GLN A 13 -1.732 0.974 5.268 1.00 0.00 C ATOM 201 C GLN A 13 -1.437 2.004 6.355 1.00 0.00 C ATOM 202 O GLN A 13 -1.935 3.129 6.309 1.00 0.00 O ATOM 203 CB GLN A 13 -2.869 0.052 5.711 1.00 0.00 C ATOM 204 CG GLN A 13 -4.184 0.777 5.944 1.00 0.00 C ATOM 205 CD GLN A 13 -4.280 1.381 7.331 1.00 0.00 C ATOM 206 OE1 GLN A 13 -4.163 0.678 8.336 1.00 0.00 O ATOM 207 NE2 GLN A 13 -4.493 2.690 7.394 1.00 0.00 N ATOM 0 H GLN A 13 -0.676 -0.813 4.965 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.040 1.505 4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.017 -0.718 4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.576 -0.457 6.630 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.296 1.566 5.200 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.009 0.080 5.797 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.584 3.234 6.536 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.566 3.152 8.301 1.00 0.00 H new ATOM 216 N GLU A 14 -0.613 1.617 7.322 1.00 0.00 N ATOM 217 CA GLU A 14 -0.241 2.515 8.408 1.00 0.00 C ATOM 218 C GLU A 14 0.769 3.536 7.912 1.00 0.00 C ATOM 219 O GLU A 14 0.832 4.658 8.414 1.00 0.00 O ATOM 220 CB GLU A 14 0.337 1.728 9.585 1.00 0.00 C ATOM 221 CG GLU A 14 -0.086 2.266 10.943 1.00 0.00 C ATOM 222 CD GLU A 14 0.653 1.603 12.089 1.00 0.00 C ATOM 223 OE1 GLU A 14 1.200 0.498 11.883 1.00 0.00 O ATOM 224 OE2 GLU A 14 0.686 2.188 13.191 1.00 0.00 O ATOM 0 H GLU A 14 -0.191 0.690 7.376 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.135 3.036 8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.026 0.687 9.503 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.425 1.741 9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.091 3.341 10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.158 2.116 11.071 1.00 0.00 H new ATOM 231 N VAL A 15 1.548 3.145 6.911 1.00 0.00 N ATOM 232 CA VAL A 15 2.538 4.037 6.341 1.00 0.00 C ATOM 233 C VAL A 15 1.848 5.179 5.606 1.00 0.00 C ATOM 234 O VAL A 15 2.359 6.297 5.553 1.00 0.00 O ATOM 235 CB VAL A 15 3.516 3.278 5.407 1.00 0.00 C ATOM 236 CG1 VAL A 15 3.075 3.282 3.942 1.00 0.00 C ATOM 237 CG2 VAL A 15 4.911 3.852 5.550 1.00 0.00 C ATOM 0 H VAL A 15 1.511 2.220 6.482 1.00 0.00 H new ATOM 0 HA VAL A 15 3.132 4.455 7.154 1.00 0.00 H new ATOM 0 HB VAL A 15 3.514 2.234 5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.802 2.735 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.099 2.805 3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.009 4.310 3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.594 3.315 4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.900 4.908 5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.244 3.746 6.583 1.00 0.00 H new ATOM 247 N LEU A 16 0.671 4.889 5.054 1.00 0.00 N ATOM 248 CA LEU A 16 -0.100 5.894 4.340 1.00 0.00 C ATOM 249 C LEU A 16 -0.452 7.048 5.272 1.00 0.00 C ATOM 250 O LEU A 16 -0.447 8.208 4.864 1.00 0.00 O ATOM 251 CB LEU A 16 -1.377 5.281 3.758 1.00 0.00 C ATOM 252 CG LEU A 16 -1.204 4.549 2.425 1.00 0.00 C ATOM 253 CD1 LEU A 16 -0.461 5.418 1.425 1.00 0.00 C ATOM 254 CD2 LEU A 16 -0.471 3.237 2.630 1.00 0.00 C ATOM 0 H LEU A 16 0.235 3.968 5.090 1.00 0.00 H new ATOM 0 HA LEU A 16 0.508 6.274 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.789 4.582 4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.113 6.074 3.625 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.195 4.335 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.350 4.877 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.024 6.335 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.524 5.666 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.357 2.730 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.513 3.433 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.041 2.604 3.310 1.00 0.00 H new ATOM 266 N LYS A 17 -0.747 6.720 6.533 1.00 0.00 N ATOM 267 CA LYS A 17 -1.092 7.730 7.533 1.00 0.00 C ATOM 268 C LYS A 17 -0.180 8.944 7.404 1.00 0.00 C ATOM 269 O LYS A 17 -0.632 10.088 7.472 1.00 0.00 O ATOM 270 CB LYS A 17 -0.984 7.143 8.942 1.00 0.00 C ATOM 271 CG LYS A 17 -1.361 8.124 10.040 1.00 0.00 C ATOM 272 CD LYS A 17 -0.530 7.904 11.294 1.00 0.00 C ATOM 273 CE LYS A 17 0.949 8.129 11.028 1.00 0.00 C ATOM 274 NZ LYS A 17 1.643 8.716 12.206 1.00 0.00 N ATOM 0 H LYS A 17 -0.753 5.762 6.884 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.121 8.046 7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.629 6.267 9.012 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.038 6.801 9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.219 9.144 9.683 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.419 8.015 10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.867 8.582 12.079 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.685 6.889 11.661 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.419 7.181 10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.067 8.791 10.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.649 8.854 11.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.212 9.633 12.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.553 8.072 13.018 1.00 0.00 H new ATOM 288 N ASN A 18 1.103 8.679 7.190 1.00 0.00 N ATOM 289 CA ASN A 18 2.086 9.746 7.019 1.00 0.00 C ATOM 290 C ASN A 18 1.870 10.435 5.678 1.00 0.00 C ATOM 291 O ASN A 18 1.905 11.661 5.575 1.00 0.00 O ATOM 292 CB ASN A 18 3.507 9.176 7.081 1.00 0.00 C ATOM 293 CG ASN A 18 4.200 9.494 8.391 1.00 0.00 C ATOM 294 OD1 ASN A 18 5.101 10.331 8.444 1.00 0.00 O ATOM 295 ND2 ASN A 18 3.782 8.825 9.460 1.00 0.00 N ATOM 0 H ASN A 18 1.488 7.736 7.131 1.00 0.00 H new ATOM 0 HA ASN A 18 1.961 10.470 7.824 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.468 8.095 6.947 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.094 9.579 6.255 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.211 8.997 10.369 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.032 8.140 9.372 1.00 0.00 H new ATOM 302 N LEU A 19 1.647 9.620 4.656 1.00 0.00 N ATOM 303 CA LEU A 19 1.420 10.101 3.301 1.00 0.00 C ATOM 304 C LEU A 19 0.345 11.189 3.263 1.00 0.00 C ATOM 305 O LEU A 19 0.501 12.203 2.584 1.00 0.00 O ATOM 306 CB LEU A 19 1.040 8.906 2.410 1.00 0.00 C ATOM 307 CG LEU A 19 -0.147 9.099 1.460 1.00 0.00 C ATOM 308 CD1 LEU A 19 0.040 8.263 0.204 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.449 8.726 2.144 1.00 0.00 C ATOM 0 H LEU A 19 1.618 8.604 4.744 1.00 0.00 H new ATOM 0 HA LEU A 19 2.335 10.558 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.912 8.637 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.822 8.056 3.057 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.192 10.152 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.811 8.410 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.955 8.569 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.110 7.210 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.278 8.871 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.412 7.681 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.594 9.358 3.020 1.00 0.00 H new ATOM 321 N HIS A 20 -0.746 10.968 3.989 1.00 0.00 N ATOM 322 CA HIS A 20 -1.851 11.925 4.029 1.00 0.00 C ATOM 323 C HIS A 20 -1.367 13.349 4.305 1.00 0.00 C ATOM 324 O HIS A 20 -1.988 14.319 3.869 1.00 0.00 O ATOM 325 CB HIS A 20 -2.861 11.531 5.115 1.00 0.00 C ATOM 326 CG HIS A 20 -3.620 10.266 4.848 1.00 0.00 C ATOM 327 ND1 HIS A 20 -4.887 10.247 4.306 1.00 0.00 N ATOM 328 CD2 HIS A 20 -3.300 8.973 5.093 1.00 0.00 C ATOM 329 CE1 HIS A 20 -5.315 8.998 4.233 1.00 0.00 C ATOM 330 NE2 HIS A 20 -4.370 8.208 4.702 1.00 0.00 N ATOM 0 H HIS A 20 -0.891 10.134 4.559 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.323 11.902 3.047 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.331 11.425 6.061 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.575 12.346 5.238 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.375 8.611 5.517 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.275 8.680 3.854 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.425 7.191 4.764 1.00 0.00 H new ATOM 339 N LYS A 21 -0.283 13.472 5.063 1.00 0.00 N ATOM 340 CA LYS A 21 0.248 14.783 5.434 1.00 0.00 C ATOM 341 C LYS A 21 1.344 15.276 4.494 1.00 0.00 C ATOM 342 O LYS A 21 1.759 16.431 4.583 1.00 0.00 O ATOM 343 CB LYS A 21 0.785 14.729 6.862 1.00 0.00 C ATOM 344 CG LYS A 21 -0.124 13.975 7.812 1.00 0.00 C ATOM 345 CD LYS A 21 -1.457 14.690 7.988 1.00 0.00 C ATOM 346 CE LYS A 21 -2.456 14.298 6.908 1.00 0.00 C ATOM 347 NZ LYS A 21 -3.862 14.396 7.391 1.00 0.00 N ATOM 0 H LYS A 21 0.246 12.682 5.433 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.576 15.492 5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.767 14.256 6.857 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.923 15.746 7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.297 12.968 7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.365 13.870 8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.870 14.453 8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.298 15.768 7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.324 14.944 6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.255 13.278 6.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.512 14.121 6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.995 13.761 8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.062 15.375 7.680 1.00 0.00 H new ATOM 361 N ASN A 22 1.823 14.417 3.606 1.00 0.00 N ATOM 362 CA ASN A 22 2.879 14.815 2.682 1.00 0.00 C ATOM 363 C ASN A 22 2.505 14.545 1.230 1.00 0.00 C ATOM 364 O ASN A 22 3.314 14.760 0.330 1.00 0.00 O ATOM 365 CB ASN A 22 4.180 14.091 3.025 1.00 0.00 C ATOM 366 CG ASN A 22 4.875 14.693 4.231 1.00 0.00 C ATOM 367 OD1 ASN A 22 4.309 14.753 5.323 1.00 0.00 O ATOM 368 ND2 ASN A 22 6.110 15.143 4.039 1.00 0.00 N ATOM 0 H ASN A 22 1.504 13.453 3.505 1.00 0.00 H new ATOM 0 HA ASN A 22 3.016 15.891 2.793 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.968 13.040 3.219 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.851 14.128 2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.628 15.558 4.814 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.541 15.073 3.117 1.00 0.00 H new ATOM 375 N TRP A 23 1.283 14.076 0.993 1.00 0.00 N ATOM 376 CA TRP A 23 0.848 13.796 -0.367 1.00 0.00 C ATOM 377 C TRP A 23 0.493 15.091 -1.100 1.00 0.00 C ATOM 378 O TRP A 23 1.022 15.362 -2.175 1.00 0.00 O ATOM 379 CB TRP A 23 -0.324 12.805 -0.358 1.00 0.00 C ATOM 380 CG TRP A 23 -1.649 13.403 -0.687 1.00 0.00 C ATOM 381 CD1 TRP A 23 -2.698 13.563 0.152 1.00 0.00 C ATOM 382 CD2 TRP A 23 -2.066 13.895 -1.952 1.00 0.00 C ATOM 383 NE1 TRP A 23 -3.747 14.147 -0.503 1.00 0.00 N ATOM 384 CE2 TRP A 23 -3.384 14.361 -1.809 1.00 0.00 C ATOM 385 CE3 TRP A 23 -1.444 13.992 -3.188 1.00 0.00 C ATOM 386 CZ2 TRP A 23 -4.092 14.915 -2.871 1.00 0.00 C ATOM 387 CZ3 TRP A 23 -2.138 14.536 -4.238 1.00 0.00 C ATOM 388 CH2 TRP A 23 -3.453 14.994 -4.080 1.00 0.00 C ATOM 0 H TRP A 23 0.588 13.885 1.714 1.00 0.00 H new ATOM 0 HA TRP A 23 1.670 13.332 -0.912 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -0.113 12.008 -1.071 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -0.384 12.343 0.628 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.706 13.271 1.192 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.649 14.384 -0.090 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -0.430 13.645 -3.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.105 15.269 -2.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -1.662 14.613 -5.205 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -3.972 15.417 -4.927 1.00 0.00 H new ATOM 399 N HIS A 24 -0.394 15.889 -0.508 1.00 0.00 N ATOM 400 CA HIS A 24 -0.800 17.162 -1.103 1.00 0.00 C ATOM 401 C HIS A 24 -1.834 17.869 -0.231 1.00 0.00 C ATOM 402 O HIS A 24 -2.939 18.174 -0.681 1.00 0.00 O ATOM 403 CB HIS A 24 -1.363 16.959 -2.510 1.00 0.00 C ATOM 404 CG HIS A 24 -1.506 18.237 -3.276 1.00 0.00 C ATOM 405 ND1 HIS A 24 -1.765 18.283 -4.629 1.00 0.00 N ATOM 406 CD2 HIS A 24 -1.425 19.525 -2.867 1.00 0.00 C ATOM 407 CE1 HIS A 24 -1.835 19.543 -5.020 1.00 0.00 C ATOM 408 NE2 HIS A 24 -1.635 20.317 -3.969 1.00 0.00 N ATOM 0 H HIS A 24 -0.845 15.677 0.382 1.00 0.00 H new ATOM 0 HA HIS A 24 0.090 17.788 -1.170 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -0.710 16.283 -3.062 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.337 16.474 -2.439 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -1.231 19.866 -1.861 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.024 19.882 -6.028 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -1.636 21.337 -3.975 1.00 0.00 H new ATOM 417 N GLY A 25 -1.468 18.126 1.017 1.00 0.00 N ATOM 418 CA GLY A 25 -2.374 18.794 1.933 1.00 0.00 C ATOM 419 C GLY A 25 -2.721 17.932 3.129 1.00 0.00 C ATOM 420 O GLY A 25 -1.888 17.720 4.010 1.00 0.00 O ATOM 0 H GLY A 25 -0.560 17.884 1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.919 19.723 2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.288 19.063 1.404 1.00 0.00 H new ATOM 424 N GLY A 26 -3.951 17.429 3.160 1.00 0.00 N ATOM 425 CA GLY A 26 -4.375 16.591 4.255 1.00 0.00 C ATOM 426 C GLY A 26 -4.894 15.252 3.781 1.00 0.00 C ATOM 427 O GLY A 26 -4.411 14.700 2.792 1.00 0.00 O ATOM 0 H GLY A 26 -4.659 17.590 2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.538 16.434 4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.155 17.102 4.820 1.00 0.00 H new ATOM 431 N LYS A 27 -5.877 14.732 4.494 1.00 0.00 N ATOM 432 CA LYS A 27 -6.476 13.445 4.158 1.00 0.00 C ATOM 433 C LYS A 27 -7.717 13.605 3.282 1.00 0.00 C ATOM 434 O LYS A 27 -8.235 12.625 2.754 1.00 0.00 O ATOM 435 CB LYS A 27 -6.835 12.680 5.435 1.00 0.00 C ATOM 436 CG LYS A 27 -7.587 11.384 5.178 1.00 0.00 C ATOM 437 CD LYS A 27 -7.190 10.303 6.171 1.00 0.00 C ATOM 438 CE LYS A 27 -7.890 10.490 7.507 1.00 0.00 C ATOM 439 NZ LYS A 27 -9.335 10.139 7.431 1.00 0.00 N ATOM 0 H LYS A 27 -6.282 15.182 5.315 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.738 12.880 3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.920 12.457 5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.442 13.321 6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.660 11.565 5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.385 11.040 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.439 9.323 5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.110 10.322 6.319 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.405 9.870 8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.785 11.526 7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.722 10.049 8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.847 10.886 6.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.447 9.236 6.927 1.00 0.00 H new ATOM 453 N ASP A 28 -8.204 14.833 3.143 1.00 0.00 N ATOM 454 CA ASP A 28 -9.402 15.091 2.344 1.00 0.00 C ATOM 455 C ASP A 28 -9.308 14.457 0.958 1.00 0.00 C ATOM 456 O ASP A 28 -10.075 13.551 0.632 1.00 0.00 O ATOM 457 CB ASP A 28 -9.658 16.597 2.219 1.00 0.00 C ATOM 458 CG ASP A 28 -8.380 17.401 2.062 1.00 0.00 C ATOM 459 OD1 ASP A 28 -7.531 17.351 2.975 1.00 0.00 O ATOM 460 OD2 ASP A 28 -8.230 18.079 1.024 1.00 0.00 O ATOM 0 H ASP A 28 -7.792 15.663 3.570 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.241 14.631 2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.305 16.781 1.361 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.194 16.944 3.102 1.00 0.00 H new ATOM 465 N ASN A 29 -8.376 14.934 0.142 1.00 0.00 N ATOM 466 CA ASN A 29 -8.208 14.402 -1.205 1.00 0.00 C ATOM 467 C ASN A 29 -7.525 13.040 -1.176 1.00 0.00 C ATOM 468 O ASN A 29 -7.708 12.228 -2.084 1.00 0.00 O ATOM 469 CB ASN A 29 -7.410 15.377 -2.069 1.00 0.00 C ATOM 470 CG ASN A 29 -8.247 16.551 -2.540 1.00 0.00 C ATOM 471 OD1 ASN A 29 -8.915 16.477 -3.572 1.00 0.00 O ATOM 472 ND2 ASN A 29 -8.215 17.642 -1.785 1.00 0.00 N ATOM 0 H ASN A 29 -7.729 15.683 0.387 1.00 0.00 H new ATOM 0 HA ASN A 29 -9.198 14.275 -1.642 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -6.557 15.747 -1.501 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -7.011 14.848 -2.935 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.758 18.463 -2.052 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.647 17.659 -0.938 1.00 0.00 H new ATOM 479 N LEU A 30 -6.750 12.784 -0.127 1.00 0.00 N ATOM 480 CA LEU A 30 -6.064 11.508 0.007 1.00 0.00 C ATOM 481 C LEU A 30 -7.060 10.416 0.364 1.00 0.00 C ATOM 482 O LEU A 30 -6.867 9.252 0.021 1.00 0.00 O ATOM 483 CB LEU A 30 -4.974 11.587 1.076 1.00 0.00 C ATOM 484 CG LEU A 30 -3.886 10.500 1.012 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.450 9.161 1.448 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.278 10.385 -0.383 1.00 0.00 C ATOM 0 H LEU A 30 -6.583 13.439 0.637 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.595 11.269 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.491 12.561 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.450 11.540 2.056 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.090 10.795 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.668 8.403 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.816 9.236 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.271 8.880 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.515 9.607 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.058 10.129 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.826 11.337 -0.663 1.00 0.00 H new ATOM 498 N HIS A 31 -8.133 10.798 1.055 1.00 0.00 N ATOM 499 CA HIS A 31 -9.161 9.843 1.452 1.00 0.00 C ATOM 500 C HIS A 31 -9.561 8.969 0.273 1.00 0.00 C ATOM 501 O HIS A 31 -9.553 7.744 0.369 1.00 0.00 O ATOM 502 CB HIS A 31 -10.387 10.572 2.004 1.00 0.00 C ATOM 503 CG HIS A 31 -11.244 9.719 2.888 1.00 0.00 C ATOM 504 ND1 HIS A 31 -10.852 9.301 4.143 1.00 0.00 N ATOM 505 CD2 HIS A 31 -12.482 9.206 2.694 1.00 0.00 C ATOM 506 CE1 HIS A 31 -11.810 8.568 4.681 1.00 0.00 C ATOM 507 NE2 HIS A 31 -12.810 8.496 3.822 1.00 0.00 N ATOM 0 H HIS A 31 -8.311 11.758 1.349 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.750 9.207 2.236 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.057 11.446 2.566 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.988 10.936 1.171 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -13.097 9.332 1.815 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.780 8.106 5.657 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.685 7.994 3.972 1.00 0.00 H new ATOM 516 N ASP A 32 -9.898 9.607 -0.842 1.00 0.00 N ATOM 517 CA ASP A 32 -10.288 8.880 -2.044 1.00 0.00 C ATOM 518 C ASP A 32 -9.120 8.066 -2.590 1.00 0.00 C ATOM 519 O ASP A 32 -9.314 7.090 -3.317 1.00 0.00 O ATOM 520 CB ASP A 32 -10.801 9.852 -3.110 1.00 0.00 C ATOM 521 CG ASP A 32 -12.232 9.562 -3.517 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.564 8.374 -3.713 1.00 0.00 O ATOM 523 OD2 ASP A 32 -13.022 10.522 -3.641 1.00 0.00 O ATOM 0 H ASP A 32 -9.909 10.622 -0.939 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.090 8.191 -1.780 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.734 10.872 -2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.158 9.796 -3.988 1.00 0.00 H new ATOM 528 N VAL A 33 -7.907 8.472 -2.234 1.00 0.00 N ATOM 529 CA VAL A 33 -6.705 7.786 -2.680 1.00 0.00 C ATOM 530 C VAL A 33 -6.369 6.621 -1.754 1.00 0.00 C ATOM 531 O VAL A 33 -6.381 5.466 -2.179 1.00 0.00 O ATOM 532 CB VAL A 33 -5.524 8.777 -2.783 1.00 0.00 C ATOM 533 CG1 VAL A 33 -4.204 8.164 -2.344 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.407 9.284 -4.203 1.00 0.00 C ATOM 0 H VAL A 33 -7.732 9.278 -1.634 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.890 7.376 -3.673 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.735 9.603 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.410 8.905 -2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.280 7.842 -1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.974 7.305 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.573 9.983 -4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.234 8.444 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.330 9.791 -4.486 1.00 0.00 H new ATOM 544 N ASP A 34 -6.093 6.915 -0.485 1.00 0.00 N ATOM 545 CA ASP A 34 -5.785 5.861 0.471 1.00 0.00 C ATOM 546 C ASP A 34 -6.963 4.895 0.564 1.00 0.00 C ATOM 547 O ASP A 34 -6.783 3.718 0.876 1.00 0.00 O ATOM 548 CB ASP A 34 -5.425 6.446 1.846 1.00 0.00 C ATOM 549 CG ASP A 34 -5.658 5.473 2.988 1.00 0.00 C ATOM 550 OD1 ASP A 34 -5.299 4.285 2.839 1.00 0.00 O ATOM 551 OD2 ASP A 34 -6.198 5.899 4.030 1.00 0.00 O ATOM 0 H ASP A 34 -6.077 7.860 -0.102 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.911 5.311 0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.378 6.748 1.842 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.016 7.346 2.017 1.00 0.00 H new ATOM 556 N ASN A 35 -8.168 5.382 0.246 1.00 0.00 N ATOM 557 CA ASN A 35 -9.346 4.525 0.255 1.00 0.00 C ATOM 558 C ASN A 35 -9.081 3.353 -0.672 1.00 0.00 C ATOM 559 O ASN A 35 -9.409 2.206 -0.365 1.00 0.00 O ATOM 560 CB ASN A 35 -10.594 5.287 -0.203 1.00 0.00 C ATOM 561 CG ASN A 35 -11.409 5.825 0.959 1.00 0.00 C ATOM 562 OD1 ASN A 35 -11.809 6.988 0.965 1.00 0.00 O ATOM 563 ND2 ASN A 35 -11.666 4.976 1.948 1.00 0.00 N ATOM 0 H ASN A 35 -8.346 6.351 -0.016 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.533 4.177 1.271 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.294 6.115 -0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.218 4.626 -0.805 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.214 5.281 2.752 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.315 4.019 1.903 1.00 0.00 H new ATOM 570 N HIS A 36 -8.431 3.658 -1.792 1.00 0.00 N ATOM 571 CA HIS A 36 -8.054 2.642 -2.755 1.00 0.00 C ATOM 572 C HIS A 36 -7.040 1.723 -2.097 1.00 0.00 C ATOM 573 O HIS A 36 -7.145 0.499 -2.167 1.00 0.00 O ATOM 574 CB HIS A 36 -7.455 3.288 -4.007 1.00 0.00 C ATOM 575 CG HIS A 36 -8.215 2.984 -5.261 1.00 0.00 C ATOM 576 ND1 HIS A 36 -8.957 1.835 -5.431 1.00 0.00 N ATOM 577 CD2 HIS A 36 -8.349 3.690 -6.410 1.00 0.00 C ATOM 578 CE1 HIS A 36 -9.513 1.845 -6.630 1.00 0.00 C ATOM 579 NE2 HIS A 36 -9.160 2.960 -7.243 1.00 0.00 N ATOM 0 H HIS A 36 -8.156 4.606 -2.050 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.932 2.073 -3.062 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.420 4.368 -3.867 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.426 2.948 -4.124 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.901 4.648 -6.629 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.148 1.073 -7.039 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -9.444 3.235 -8.183 1.00 0.00 H new ATOM 588 N LEU A 37 -6.067 2.342 -1.429 1.00 0.00 N ATOM 589 CA LEU A 37 -5.031 1.602 -0.716 1.00 0.00 C ATOM 590 C LEU A 37 -5.655 0.599 0.249 1.00 0.00 C ATOM 591 O LEU A 37 -5.572 -0.610 0.043 1.00 0.00 O ATOM 592 CB LEU A 37 -4.136 2.564 0.070 1.00 0.00 C ATOM 593 CG LEU A 37 -2.754 2.025 0.455 1.00 0.00 C ATOM 594 CD1 LEU A 37 -2.777 0.515 0.649 1.00 0.00 C ATOM 595 CD2 LEU A 37 -1.726 2.414 -0.596 1.00 0.00 C ATOM 0 H LEU A 37 -5.976 3.356 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.432 1.067 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.000 3.469 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.659 2.854 0.981 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.472 2.474 1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.780 0.168 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.479 0.261 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.088 0.034 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.749 2.025 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.015 1.996 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.676 3.500 -0.672 1.00 0.00 H new ATOM 607 N GLN A 38 -6.274 1.115 1.310 1.00 0.00 N ATOM 608 CA GLN A 38 -6.913 0.273 2.318 1.00 0.00 C ATOM 609 C GLN A 38 -7.767 -0.809 1.666 1.00 0.00 C ATOM 610 O GLN A 38 -7.731 -1.971 2.071 1.00 0.00 O ATOM 611 CB GLN A 38 -7.772 1.128 3.256 1.00 0.00 C ATOM 612 CG GLN A 38 -7.317 1.085 4.705 1.00 0.00 C ATOM 613 CD GLN A 38 -8.143 1.985 5.603 1.00 0.00 C ATOM 614 OE1 GLN A 38 -7.998 3.207 5.578 1.00 0.00 O ATOM 615 NE2 GLN A 38 -9.016 1.383 6.403 1.00 0.00 N ATOM 0 H GLN A 38 -6.346 2.116 1.493 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.129 -0.214 2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.756 2.161 2.909 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.806 0.789 3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.377 0.060 5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.270 1.383 4.762 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.103 0.367 6.390 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.600 1.937 7.030 1.00 0.00 H new ATOM 624 N ASN A 39 -8.526 -0.424 0.644 1.00 0.00 N ATOM 625 CA ASN A 39 -9.375 -1.371 -0.071 1.00 0.00 C ATOM 626 C ASN A 39 -8.545 -2.547 -0.576 1.00 0.00 C ATOM 627 O ASN A 39 -9.055 -3.653 -0.757 1.00 0.00 O ATOM 628 CB ASN A 39 -10.079 -0.681 -1.242 1.00 0.00 C ATOM 629 CG ASN A 39 -11.536 -0.382 -0.946 1.00 0.00 C ATOM 630 OD1 ASN A 39 -11.896 -0.046 0.181 1.00 0.00 O ATOM 631 ND2 ASN A 39 -12.383 -0.503 -1.962 1.00 0.00 N ATOM 0 H ASN A 39 -8.570 0.533 0.294 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.132 -1.745 0.618 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.561 0.249 -1.477 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.013 -1.315 -2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.376 -0.314 -1.824 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.041 -0.784 -2.881 1.00 0.00 H new ATOM 638 N VAL A 40 -7.257 -2.298 -0.790 1.00 0.00 N ATOM 639 CA VAL A 40 -6.343 -3.329 -1.257 1.00 0.00 C ATOM 640 C VAL A 40 -6.017 -4.298 -0.130 1.00 0.00 C ATOM 641 O VAL A 40 -6.239 -5.501 -0.249 1.00 0.00 O ATOM 642 CB VAL A 40 -5.026 -2.719 -1.780 1.00 0.00 C ATOM 643 CG1 VAL A 40 -4.142 -3.793 -2.399 1.00 0.00 C ATOM 644 CG2 VAL A 40 -5.307 -1.606 -2.776 1.00 0.00 C ATOM 0 H VAL A 40 -6.823 -1.386 -0.646 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.839 -3.856 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.490 -2.288 -0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.219 -3.340 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.906 -4.547 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.667 -4.261 -3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.365 -1.190 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.869 -2.006 -3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.889 -0.822 -2.291 1.00 0.00 H new ATOM 654 N ILE A 41 -5.487 -3.760 0.964 1.00 0.00 N ATOM 655 CA ILE A 41 -5.119 -4.568 2.123 1.00 0.00 C ATOM 656 C ILE A 41 -6.202 -5.586 2.471 1.00 0.00 C ATOM 657 O ILE A 41 -5.907 -6.702 2.893 1.00 0.00 O ATOM 658 CB ILE A 41 -4.808 -3.678 3.349 1.00 0.00 C ATOM 659 CG1 ILE A 41 -4.026 -4.471 4.398 1.00 0.00 C ATOM 660 CG2 ILE A 41 -6.073 -3.076 3.957 1.00 0.00 C ATOM 661 CD1 ILE A 41 -2.577 -4.051 4.507 1.00 0.00 C ATOM 0 H ILE A 41 -5.302 -2.763 1.073 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.216 -5.116 1.854 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.193 -2.847 3.003 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.507 -4.349 5.369 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.072 -5.532 4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.806 -2.459 4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.578 -2.462 3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.739 -3.877 4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.080 -4.652 5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.082 -4.199 3.547 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.523 -2.998 4.784 1.00 0.00 H new ATOM 673 N GLU A 42 -7.455 -5.194 2.286 1.00 0.00 N ATOM 674 CA GLU A 42 -8.578 -6.079 2.578 1.00 0.00 C ATOM 675 C GLU A 42 -8.728 -7.135 1.498 1.00 0.00 C ATOM 676 O GLU A 42 -9.165 -8.253 1.765 1.00 0.00 O ATOM 677 CB GLU A 42 -9.873 -5.276 2.730 1.00 0.00 C ATOM 678 CG GLU A 42 -10.349 -4.626 1.440 1.00 0.00 C ATOM 679 CD GLU A 42 -11.847 -4.392 1.424 1.00 0.00 C ATOM 680 OE1 GLU A 42 -12.592 -5.340 1.094 1.00 0.00 O ATOM 681 OE2 GLU A 42 -12.275 -3.264 1.742 1.00 0.00 O ATOM 0 H GLU A 42 -7.721 -4.273 1.937 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.375 -6.585 3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.656 -5.935 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.723 -4.501 3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.835 -3.674 1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.075 -5.259 0.596 1.00 0.00 H new ATOM 688 N ASP A 43 -8.346 -6.784 0.282 1.00 0.00 N ATOM 689 CA ASP A 43 -8.421 -7.718 -0.825 1.00 0.00 C ATOM 690 C ASP A 43 -7.181 -8.600 -0.843 1.00 0.00 C ATOM 691 O ASP A 43 -7.224 -9.731 -1.316 1.00 0.00 O ATOM 692 CB ASP A 43 -8.562 -6.971 -2.152 1.00 0.00 C ATOM 693 CG ASP A 43 -10.007 -6.816 -2.578 1.00 0.00 C ATOM 694 OD1 ASP A 43 -10.711 -7.844 -2.676 1.00 0.00 O ATOM 695 OD2 ASP A 43 -10.436 -5.668 -2.816 1.00 0.00 O ATOM 0 H ASP A 43 -7.982 -5.863 0.038 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.302 -8.347 -0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.105 -5.985 -2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.013 -7.506 -2.927 1.00 0.00 H new ATOM 700 N ILE A 44 -6.076 -8.074 -0.322 1.00 0.00 N ATOM 701 CA ILE A 44 -4.828 -8.820 -0.275 1.00 0.00 C ATOM 702 C ILE A 44 -4.737 -9.679 0.983 1.00 0.00 C ATOM 703 O ILE A 44 -4.407 -10.863 0.911 1.00 0.00 O ATOM 704 CB ILE A 44 -3.603 -7.886 -0.341 1.00 0.00 C ATOM 705 CG1 ILE A 44 -3.764 -6.869 -1.472 1.00 0.00 C ATOM 706 CG2 ILE A 44 -2.331 -8.693 -0.536 1.00 0.00 C ATOM 707 CD1 ILE A 44 -3.876 -7.501 -2.842 1.00 0.00 C ATOM 0 H ILE A 44 -6.022 -7.135 0.072 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.824 -9.469 -1.150 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.532 -7.346 0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.653 -6.267 -1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.912 -6.190 -1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.476 -8.019 -0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.206 -9.383 0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.397 -9.257 -1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.988 -6.721 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.976 -8.080 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.745 -8.159 -2.869 1.00 0.00 H new ATOM 719 N HIS A 45 -5.024 -9.078 2.133 1.00 0.00 N ATOM 720 CA HIS A 45 -4.964 -9.795 3.404 1.00 0.00 C ATOM 721 C HIS A 45 -6.075 -10.841 3.504 1.00 0.00 C ATOM 722 O HIS A 45 -5.932 -11.841 4.207 1.00 0.00 O ATOM 723 CB HIS A 45 -5.043 -8.807 4.580 1.00 0.00 C ATOM 724 CG HIS A 45 -6.417 -8.639 5.149 1.00 0.00 C ATOM 725 ND1 HIS A 45 -6.681 -8.613 6.502 1.00 0.00 N ATOM 726 CD2 HIS A 45 -7.611 -8.490 4.533 1.00 0.00 C ATOM 727 CE1 HIS A 45 -7.979 -8.457 6.694 1.00 0.00 C ATOM 728 NE2 HIS A 45 -8.566 -8.379 5.513 1.00 0.00 N ATOM 0 H HIS A 45 -5.300 -8.099 2.212 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.009 -10.319 3.451 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.374 -9.146 5.370 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.678 -7.835 4.248 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.782 -8.463 3.467 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -8.475 -8.403 7.652 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.566 -8.256 5.355 1.00 0.00 H new ATOM 737 N ASP A 46 -7.181 -10.607 2.800 1.00 0.00 N ATOM 738 CA ASP A 46 -8.302 -11.537 2.823 1.00 0.00 C ATOM 739 C ASP A 46 -8.105 -12.623 1.779 1.00 0.00 C ATOM 740 O ASP A 46 -8.358 -13.801 2.032 1.00 0.00 O ATOM 741 CB ASP A 46 -9.619 -10.801 2.573 1.00 0.00 C ATOM 742 CG ASP A 46 -10.829 -11.660 2.883 1.00 0.00 C ATOM 743 OD1 ASP A 46 -11.269 -12.410 1.987 1.00 0.00 O ATOM 744 OD2 ASP A 46 -11.337 -11.583 4.022 1.00 0.00 O ATOM 0 H ASP A 46 -7.322 -9.786 2.211 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.345 -11.998 3.810 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.650 -9.900 3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.661 -10.481 1.532 1.00 0.00 H new ATOM 749 N PHE A 47 -7.642 -12.215 0.607 1.00 0.00 N ATOM 750 CA PHE A 47 -7.401 -13.161 -0.480 1.00 0.00 C ATOM 751 C PHE A 47 -6.172 -14.020 -0.183 1.00 0.00 C ATOM 752 O PHE A 47 -6.037 -15.128 -0.702 1.00 0.00 O ATOM 753 CB PHE A 47 -7.215 -12.429 -1.811 1.00 0.00 C ATOM 754 CG PHE A 47 -8.493 -11.887 -2.393 1.00 0.00 C ATOM 755 CD1 PHE A 47 -9.449 -11.290 -1.584 1.00 0.00 C ATOM 756 CD2 PHE A 47 -8.739 -11.977 -3.754 1.00 0.00 C ATOM 757 CE1 PHE A 47 -10.622 -10.795 -2.121 1.00 0.00 C ATOM 758 CE2 PHE A 47 -9.911 -11.482 -4.296 1.00 0.00 C ATOM 759 CZ PHE A 47 -10.853 -10.891 -3.478 1.00 0.00 C ATOM 0 H PHE A 47 -7.426 -11.244 0.382 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.274 -13.808 -0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.515 -11.606 -1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.761 -13.112 -2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.274 -11.211 -0.521 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.007 -12.439 -4.399 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.358 -10.333 -1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.089 -11.558 -5.358 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.769 -10.504 -3.899 1.00 0.00 H new ATOM 769 N MET A 48 -5.282 -13.501 0.661 1.00 0.00 N ATOM 770 CA MET A 48 -4.064 -14.215 1.038 1.00 0.00 C ATOM 771 C MET A 48 -4.390 -15.607 1.574 1.00 0.00 C ATOM 772 O MET A 48 -3.632 -16.557 1.370 1.00 0.00 O ATOM 773 CB MET A 48 -3.299 -13.417 2.097 1.00 0.00 C ATOM 774 CG MET A 48 -1.877 -13.071 1.691 1.00 0.00 C ATOM 775 SD MET A 48 -1.595 -11.293 1.579 1.00 0.00 S ATOM 776 CE MET A 48 -1.263 -10.896 3.293 1.00 0.00 C ATOM 0 H MET A 48 -5.383 -12.585 1.098 1.00 0.00 H new ATOM 0 HA MET A 48 -3.444 -14.326 0.149 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.842 -12.496 2.307 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.274 -13.991 3.024 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.183 -13.499 2.414 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.657 -13.531 0.727 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.101 -10.334 3.705 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.129 -11.817 3.860 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.356 -10.295 3.358 1.00 0.00 H new ATOM 786 N GLN A 49 -5.518 -15.717 2.267 1.00 0.00 N ATOM 787 CA GLN A 49 -5.946 -16.987 2.842 1.00 0.00 C ATOM 788 C GLN A 49 -6.462 -17.940 1.767 1.00 0.00 C ATOM 789 O GLN A 49 -6.480 -19.156 1.965 1.00 0.00 O ATOM 790 CB GLN A 49 -7.029 -16.751 3.898 1.00 0.00 C ATOM 791 CG GLN A 49 -6.516 -16.839 5.325 1.00 0.00 C ATOM 792 CD GLN A 49 -7.599 -16.569 6.351 1.00 0.00 C ATOM 793 OE1 GLN A 49 -8.588 -17.296 6.432 1.00 0.00 O ATOM 794 NE2 GLN A 49 -7.416 -15.517 7.141 1.00 0.00 N ATOM 0 H GLN A 49 -6.154 -14.940 2.445 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.079 -17.449 3.313 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.471 -15.767 3.740 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.824 -17.484 3.761 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.097 -17.831 5.496 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.705 -16.123 5.461 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.580 -14.941 7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.111 -15.285 7.850 1.00 0.00 H new ATOM 803 N GLY A 50 -6.882 -17.389 0.633 1.00 0.00 N ATOM 804 CA GLY A 50 -7.391 -18.219 -0.443 1.00 0.00 C ATOM 805 C GLY A 50 -8.503 -17.554 -1.232 1.00 0.00 C ATOM 806 O GLY A 50 -8.884 -18.035 -2.300 1.00 0.00 O ATOM 0 H GLY A 50 -6.879 -16.387 0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.573 -18.469 -1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.759 -19.157 -0.027 1.00 0.00 H new ATOM 810 N GLY A 51 -9.030 -16.444 -0.715 1.00 0.00 N ATOM 811 CA GLY A 51 -10.099 -15.740 -1.402 1.00 0.00 C ATOM 812 C GLY A 51 -9.801 -15.514 -2.874 1.00 0.00 C ATOM 813 O GLY A 51 -10.716 -15.392 -3.688 1.00 0.00 O ATOM 0 H GLY A 51 -8.735 -16.022 0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.024 -16.309 -1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.265 -14.778 -0.917 1.00 0.00 H new ATOM 817 N GLY A 52 -8.517 -15.457 -3.212 1.00 0.00 N ATOM 818 CA GLY A 52 -8.121 -15.245 -4.591 1.00 0.00 C ATOM 819 C GLY A 52 -6.754 -14.601 -4.703 1.00 0.00 C ATOM 820 O GLY A 52 -6.559 -13.673 -5.488 1.00 0.00 O ATOM 0 H GLY A 52 -7.743 -15.554 -2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.115 -16.200 -5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.859 -14.614 -5.086 1.00 0.00 H new ATOM 824 N SER A 53 -5.803 -15.094 -3.915 1.00 0.00 N ATOM 825 CA SER A 53 -4.448 -14.558 -3.925 1.00 0.00 C ATOM 826 C SER A 53 -3.821 -14.680 -5.311 1.00 0.00 C ATOM 827 O SER A 53 -2.985 -13.862 -5.698 1.00 0.00 O ATOM 828 CB SER A 53 -3.583 -15.285 -2.894 1.00 0.00 C ATOM 829 OG SER A 53 -2.517 -14.465 -2.451 1.00 0.00 O ATOM 0 H SER A 53 -5.947 -15.864 -3.262 1.00 0.00 H new ATOM 0 HA SER A 53 -4.501 -13.501 -3.665 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.197 -15.579 -2.043 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.184 -16.200 -3.331 1.00 0.00 H new ATOM 0 HG SER A 53 -2.009 -14.935 -1.757 1.00 0.00 H new ATOM 835 N GLY A 54 -4.236 -15.698 -6.056 1.00 0.00 N ATOM 836 CA GLY A 54 -3.706 -15.900 -7.393 1.00 0.00 C ATOM 837 C GLY A 54 -4.524 -15.181 -8.448 1.00 0.00 C ATOM 838 O GLY A 54 -5.243 -15.813 -9.223 1.00 0.00 O ATOM 0 H GLY A 54 -4.928 -16.386 -5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.676 -15.546 -7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.685 -16.967 -7.616 1.00 0.00 H new ATOM 842 N GLY A 55 -4.416 -13.857 -8.478 1.00 0.00 N ATOM 843 CA GLY A 55 -5.158 -13.073 -9.448 1.00 0.00 C ATOM 844 C GLY A 55 -5.525 -11.696 -8.926 1.00 0.00 C ATOM 845 O GLY A 55 -5.823 -10.790 -9.703 1.00 0.00 O ATOM 0 H GLY A 55 -3.827 -13.312 -7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.564 -12.967 -10.355 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.067 -13.608 -9.723 1.00 0.00 H new ATOM 849 N LYS A 56 -5.506 -11.540 -7.606 1.00 0.00 N ATOM 850 CA LYS A 56 -5.838 -10.264 -6.978 1.00 0.00 C ATOM 851 C LYS A 56 -4.606 -9.381 -6.836 1.00 0.00 C ATOM 852 O LYS A 56 -4.649 -8.192 -7.141 1.00 0.00 O ATOM 853 CB LYS A 56 -6.475 -10.494 -5.605 1.00 0.00 C ATOM 854 CG LYS A 56 -5.596 -11.280 -4.641 1.00 0.00 C ATOM 855 CD LYS A 56 -4.802 -10.361 -3.728 1.00 0.00 C ATOM 856 CE LYS A 56 -3.559 -11.052 -3.189 1.00 0.00 C ATOM 857 NZ LYS A 56 -3.848 -11.843 -1.961 1.00 0.00 N ATOM 0 H LYS A 56 -5.264 -12.282 -6.949 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.553 -9.753 -7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.713 -9.528 -5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.418 -11.025 -5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.218 -11.942 -4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.911 -11.912 -5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.513 -9.464 -4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.430 -10.039 -2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.149 -11.710 -3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.796 -10.305 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.177 -12.634 -1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.751 -11.233 -1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.818 -12.215 -2.008 1.00 0.00 H new ATOM 871 N LEU A 57 -3.514 -9.963 -6.363 1.00 0.00 N ATOM 872 CA LEU A 57 -2.277 -9.217 -6.167 1.00 0.00 C ATOM 873 C LEU A 57 -1.730 -8.647 -7.474 1.00 0.00 C ATOM 874 O LEU A 57 -0.811 -7.838 -7.453 1.00 0.00 O ATOM 875 CB LEU A 57 -1.222 -10.102 -5.510 1.00 0.00 C ATOM 876 CG LEU A 57 -0.029 -9.355 -4.917 1.00 0.00 C ATOM 877 CD1 LEU A 57 -0.318 -8.943 -3.483 1.00 0.00 C ATOM 878 CD2 LEU A 57 1.222 -10.215 -4.985 1.00 0.00 C ATOM 0 H LEU A 57 -3.458 -10.949 -6.108 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.512 -8.377 -5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.698 -10.682 -4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.855 -10.813 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 57 0.141 -8.453 -5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.543 -8.412 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.191 -8.290 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.514 -9.831 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.063 -9.668 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.063 -11.134 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.439 -10.461 -6.025 1.00 0.00 H new ATOM 890 N GLN A 58 -2.281 -9.063 -8.608 1.00 0.00 N ATOM 891 CA GLN A 58 -1.808 -8.556 -9.892 1.00 0.00 C ATOM 892 C GLN A 58 -2.507 -7.249 -10.253 1.00 0.00 C ATOM 893 O GLN A 58 -1.855 -6.255 -10.573 1.00 0.00 O ATOM 894 CB GLN A 58 -2.004 -9.594 -11.001 1.00 0.00 C ATOM 895 CG GLN A 58 -3.449 -10.015 -11.200 1.00 0.00 C ATOM 896 CD GLN A 58 -4.164 -9.179 -12.244 1.00 0.00 C ATOM 897 OE1 GLN A 58 -3.683 -8.118 -12.642 1.00 0.00 O ATOM 898 NE2 GLN A 58 -5.320 -9.654 -12.693 1.00 0.00 N ATOM 0 H GLN A 58 -3.043 -9.739 -8.667 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.740 -8.358 -9.797 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.622 -9.188 -11.937 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.407 -10.476 -10.769 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.480 -11.063 -11.497 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.980 -9.936 -10.251 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.682 -10.538 -12.335 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.846 -9.135 -13.396 1.00 0.00 H new ATOM 907 N GLU A 59 -3.834 -7.249 -10.188 1.00 0.00 N ATOM 908 CA GLU A 59 -4.610 -6.056 -10.497 1.00 0.00 C ATOM 909 C GLU A 59 -4.760 -5.185 -9.257 1.00 0.00 C ATOM 910 O GLU A 59 -4.845 -3.960 -9.349 1.00 0.00 O ATOM 911 CB GLU A 59 -5.989 -6.439 -11.041 1.00 0.00 C ATOM 912 CG GLU A 59 -6.853 -5.243 -11.404 1.00 0.00 C ATOM 913 CD GLU A 59 -6.248 -4.400 -12.509 1.00 0.00 C ATOM 914 OE1 GLU A 59 -5.389 -3.547 -12.203 1.00 0.00 O ATOM 915 OE2 GLU A 59 -6.634 -4.593 -13.682 1.00 0.00 O ATOM 0 H GLU A 59 -4.393 -8.061 -9.925 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.079 -5.489 -11.262 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.861 -7.066 -11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.510 -7.040 -10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.837 -5.592 -11.716 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.000 -4.624 -10.519 1.00 0.00 H new ATOM 922 N MET A 60 -4.786 -5.829 -8.095 1.00 0.00 N ATOM 923 CA MET A 60 -4.917 -5.119 -6.832 1.00 0.00 C ATOM 924 C MET A 60 -3.597 -4.465 -6.445 1.00 0.00 C ATOM 925 O MET A 60 -3.581 -3.430 -5.779 1.00 0.00 O ATOM 926 CB MET A 60 -5.375 -6.072 -5.726 1.00 0.00 C ATOM 927 CG MET A 60 -6.057 -5.375 -4.562 1.00 0.00 C ATOM 928 SD MET A 60 -7.849 -5.299 -4.753 1.00 0.00 S ATOM 929 CE MET A 60 -7.998 -4.141 -6.110 1.00 0.00 C ATOM 0 H MET A 60 -4.718 -6.843 -8.004 1.00 0.00 H new ATOM 0 HA MET A 60 -5.669 -4.340 -6.956 1.00 0.00 H new ATOM 0 HB2 MET A 60 -6.061 -6.805 -6.151 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.512 -6.623 -5.353 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.816 -5.899 -3.637 1.00 0.00 H new ATOM 0 HG3 MET A 60 -5.662 -4.363 -4.467 1.00 0.00 H new ATOM 0 HE1 MET A 60 -8.942 -3.602 -6.026 1.00 0.00 H new ATOM 0 HE2 MET A 60 -7.171 -3.432 -6.076 1.00 0.00 H new ATOM 0 HE3 MET A 60 -7.972 -4.683 -7.055 1.00 0.00 H new ATOM 939 N MET A 61 -2.485 -5.069 -6.867 1.00 0.00 N ATOM 940 CA MET A 61 -1.166 -4.521 -6.556 1.00 0.00 C ATOM 941 C MET A 61 -1.061 -3.074 -7.035 1.00 0.00 C ATOM 942 O MET A 61 -0.566 -2.204 -6.320 1.00 0.00 O ATOM 943 CB MET A 61 -0.061 -5.373 -7.195 1.00 0.00 C ATOM 944 CG MET A 61 1.236 -4.624 -7.472 1.00 0.00 C ATOM 945 SD MET A 61 1.360 -4.059 -9.180 1.00 0.00 S ATOM 946 CE MET A 61 1.978 -5.537 -9.981 1.00 0.00 C ATOM 0 H MET A 61 -2.471 -5.927 -7.418 1.00 0.00 H new ATOM 0 HA MET A 61 -1.036 -4.541 -5.474 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.155 -6.216 -6.539 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.434 -5.786 -8.132 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.305 -3.766 -6.803 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.082 -5.274 -7.246 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.107 -5.346 -11.046 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.937 -5.814 -9.543 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.266 -6.351 -9.842 1.00 0.00 H new ATOM 956 N LYS A 62 -1.530 -2.824 -8.253 1.00 0.00 N ATOM 957 CA LYS A 62 -1.487 -1.484 -8.822 1.00 0.00 C ATOM 958 C LYS A 62 -2.408 -0.532 -8.062 1.00 0.00 C ATOM 959 O LYS A 62 -2.338 0.683 -8.241 1.00 0.00 O ATOM 960 CB LYS A 62 -1.882 -1.522 -10.300 1.00 0.00 C ATOM 961 CG LYS A 62 -1.557 -0.238 -11.049 1.00 0.00 C ATOM 962 CD LYS A 62 -2.774 0.315 -11.773 1.00 0.00 C ATOM 963 CE LYS A 62 -2.712 0.032 -13.266 1.00 0.00 C ATOM 964 NZ LYS A 62 -2.662 -1.429 -13.552 1.00 0.00 N ATOM 0 H LYS A 62 -1.943 -3.530 -8.863 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.465 -1.115 -8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.370 -2.354 -10.783 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.952 -1.717 -10.377 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.181 0.507 -10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.761 -0.428 -11.769 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.679 -0.127 -11.355 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.839 1.390 -11.608 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.583 0.468 -13.755 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.833 0.516 -13.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.689 -1.583 -14.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.783 -1.829 -13.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.479 -1.897 -13.111 1.00 0.00 H new ATOM 978 N GLU A 63 -3.275 -1.087 -7.217 1.00 0.00 N ATOM 979 CA GLU A 63 -4.208 -0.278 -6.442 1.00 0.00 C ATOM 980 C GLU A 63 -3.555 0.272 -5.175 1.00 0.00 C ATOM 981 O GLU A 63 -3.984 1.298 -4.647 1.00 0.00 O ATOM 982 CB GLU A 63 -5.447 -1.098 -6.080 1.00 0.00 C ATOM 983 CG GLU A 63 -6.555 -0.272 -5.445 1.00 0.00 C ATOM 984 CD GLU A 63 -7.875 -1.015 -5.386 1.00 0.00 C ATOM 985 OE1 GLU A 63 -8.564 -1.086 -6.426 1.00 0.00 O ATOM 986 OE2 GLU A 63 -8.222 -1.524 -4.299 1.00 0.00 O ATOM 0 H GLU A 63 -3.349 -2.091 -7.053 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.506 0.568 -7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.832 -1.577 -6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.159 -1.894 -5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.258 0.014 -4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.686 0.650 -6.012 1.00 0.00 H new ATOM 993 N PHE A 64 -2.517 -0.406 -4.688 1.00 0.00 N ATOM 994 CA PHE A 64 -1.824 0.039 -3.484 1.00 0.00 C ATOM 995 C PHE A 64 -0.730 1.041 -3.839 1.00 0.00 C ATOM 996 O PHE A 64 -0.473 1.987 -3.094 1.00 0.00 O ATOM 997 CB PHE A 64 -1.250 -1.163 -2.713 1.00 0.00 C ATOM 998 CG PHE A 64 0.016 -1.741 -3.287 1.00 0.00 C ATOM 999 CD1 PHE A 64 1.204 -1.025 -3.273 1.00 0.00 C ATOM 1000 CD2 PHE A 64 0.012 -3.011 -3.835 1.00 0.00 C ATOM 1001 CE1 PHE A 64 2.360 -1.566 -3.800 1.00 0.00 C ATOM 1002 CE2 PHE A 64 1.164 -3.558 -4.362 1.00 0.00 C ATOM 1003 CZ PHE A 64 2.340 -2.834 -4.345 1.00 0.00 C ATOM 0 H PHE A 64 -2.141 -1.258 -5.105 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.542 0.540 -2.834 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.058 -0.858 -1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.006 -1.947 -2.677 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.225 -0.034 -2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.905 -3.582 -3.851 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.278 -0.998 -3.786 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.146 -4.551 -4.787 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.243 -3.259 -4.758 1.00 0.00 H new ATOM 1013 N GLN A 65 -0.094 0.826 -4.985 1.00 0.00 N ATOM 1014 CA GLN A 65 0.969 1.707 -5.450 1.00 0.00 C ATOM 1015 C GLN A 65 0.393 2.974 -6.077 1.00 0.00 C ATOM 1016 O GLN A 65 1.004 4.041 -6.014 1.00 0.00 O ATOM 1017 CB GLN A 65 1.857 0.979 -6.462 1.00 0.00 C ATOM 1018 CG GLN A 65 1.129 0.576 -7.735 1.00 0.00 C ATOM 1019 CD GLN A 65 1.743 1.188 -8.979 1.00 0.00 C ATOM 1020 OE1 GLN A 65 2.709 0.661 -9.532 1.00 0.00 O ATOM 1021 NE2 GLN A 65 1.186 2.309 -9.424 1.00 0.00 N ATOM 0 H GLN A 65 -0.297 0.046 -5.610 1.00 0.00 H new ATOM 0 HA GLN A 65 1.572 1.994 -4.588 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.698 1.622 -6.723 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.271 0.087 -5.993 1.00 0.00 H new ATOM 0 HG2 GLN A 65 1.139 -0.510 -7.826 1.00 0.00 H new ATOM 0 HG3 GLN A 65 0.085 0.880 -7.663 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.387 2.711 -8.934 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.558 2.768 -10.256 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.788 2.854 -6.680 1.00 0.00 N ATOM 1031 CA GLN A 66 -1.444 3.996 -7.312 1.00 0.00 C ATOM 1032 C GLN A 66 -1.683 5.103 -6.292 1.00 0.00 C ATOM 1033 O GLN A 66 -1.597 6.289 -6.611 1.00 0.00 O ATOM 1034 CB GLN A 66 -2.769 3.569 -7.946 1.00 0.00 C ATOM 1035 CG GLN A 66 -3.530 4.714 -8.595 1.00 0.00 C ATOM 1036 CD GLN A 66 -4.970 4.800 -8.126 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -5.782 3.921 -8.411 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -5.292 5.865 -7.401 1.00 0.00 N ATOM 0 H GLN A 66 -1.309 1.979 -6.744 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.790 4.378 -8.096 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.573 2.803 -8.696 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.398 3.113 -7.181 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.023 5.653 -8.373 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.512 4.590 -9.678 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.586 6.570 -7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.245 5.978 -7.057 1.00 0.00 H new ATOM 1047 N VAL A 67 -1.973 4.703 -5.059 1.00 0.00 N ATOM 1048 CA VAL A 67 -2.214 5.648 -3.976 1.00 0.00 C ATOM 1049 C VAL A 67 -1.009 6.562 -3.790 1.00 0.00 C ATOM 1050 O VAL A 67 -1.148 7.776 -3.644 1.00 0.00 O ATOM 1051 CB VAL A 67 -2.516 4.892 -2.664 1.00 0.00 C ATOM 1052 CG1 VAL A 67 -2.642 5.843 -1.480 1.00 0.00 C ATOM 1053 CG2 VAL A 67 -3.777 4.055 -2.825 1.00 0.00 C ATOM 0 H VAL A 67 -2.047 3.724 -4.784 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.078 6.260 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.676 4.230 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.855 5.272 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.708 6.391 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.453 6.547 -1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.983 3.525 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.618 4.706 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.635 3.334 -3.630 1.00 0.00 H new ATOM 1063 N LEU A 68 0.177 5.967 -3.819 1.00 0.00 N ATOM 1064 CA LEU A 68 1.416 6.716 -3.681 1.00 0.00 C ATOM 1065 C LEU A 68 1.674 7.564 -4.927 1.00 0.00 C ATOM 1066 O LEU A 68 2.567 8.409 -4.939 1.00 0.00 O ATOM 1067 CB LEU A 68 2.570 5.754 -3.430 1.00 0.00 C ATOM 1068 CG LEU A 68 2.901 5.549 -1.951 1.00 0.00 C ATOM 1069 CD1 LEU A 68 2.181 4.325 -1.396 1.00 0.00 C ATOM 1070 CD2 LEU A 68 4.407 5.426 -1.761 1.00 0.00 C ATOM 0 H LEU A 68 0.305 4.962 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 68 1.331 7.392 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.327 4.789 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.457 6.126 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 68 2.552 6.420 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.433 4.201 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.104 4.459 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.490 3.439 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.630 5.280 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.777 4.574 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.894 6.336 -2.112 1.00 0.00 H new ATOM 1082 N ASP A 69 0.870 7.345 -5.974 1.00 0.00 N ATOM 1083 CA ASP A 69 0.997 8.105 -7.212 1.00 0.00 C ATOM 1084 C ASP A 69 0.514 9.534 -6.990 1.00 0.00 C ATOM 1085 O ASP A 69 1.271 10.489 -7.163 1.00 0.00 O ATOM 1086 CB ASP A 69 0.191 7.445 -8.334 1.00 0.00 C ATOM 1087 CG ASP A 69 0.626 7.909 -9.709 1.00 0.00 C ATOM 1088 OD1 ASP A 69 1.840 8.124 -9.908 1.00 0.00 O ATOM 1089 OD2 ASP A 69 -0.248 8.055 -10.590 1.00 0.00 O ATOM 0 H ASP A 69 0.126 6.647 -5.984 1.00 0.00 H new ATOM 0 HA ASP A 69 2.046 8.122 -7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.300 6.363 -8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.867 7.668 -8.197 1.00 0.00 H new ATOM 1094 N GLU A 70 -0.743 9.672 -6.565 1.00 0.00 N ATOM 1095 CA GLU A 70 -1.312 10.988 -6.273 1.00 0.00 C ATOM 1096 C GLU A 70 -0.403 11.714 -5.299 1.00 0.00 C ATOM 1097 O GLU A 70 -0.209 12.926 -5.370 1.00 0.00 O ATOM 1098 CB GLU A 70 -2.702 10.832 -5.640 1.00 0.00 C ATOM 1099 CG GLU A 70 -3.646 11.994 -5.905 1.00 0.00 C ATOM 1100 CD GLU A 70 -3.674 12.415 -7.362 1.00 0.00 C ATOM 1101 OE1 GLU A 70 -4.503 11.870 -8.121 1.00 0.00 O ATOM 1102 OE2 GLU A 70 -2.868 13.289 -7.743 1.00 0.00 O ATOM 0 H GLU A 70 -1.384 8.892 -6.416 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.402 11.555 -7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.158 9.916 -6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.586 10.712 -4.563 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.653 11.715 -5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.347 12.845 -5.292 1.00 0.00 H new ATOM 1109 N LEU A 71 0.133 10.926 -4.384 1.00 0.00 N ATOM 1110 CA LEU A 71 1.021 11.397 -3.342 1.00 0.00 C ATOM 1111 C LEU A 71 2.387 11.803 -3.893 1.00 0.00 C ATOM 1112 O LEU A 71 2.745 12.980 -3.882 1.00 0.00 O ATOM 1113 CB LEU A 71 1.148 10.272 -2.322 1.00 0.00 C ATOM 1114 CG LEU A 71 2.346 10.327 -1.381 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.916 10.818 -0.013 1.00 0.00 C ATOM 1116 CD2 LEU A 71 2.973 8.952 -1.274 1.00 0.00 C ATOM 0 H LEU A 71 -0.042 9.922 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 71 0.611 12.295 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.242 10.259 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.184 9.326 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 71 3.083 11.023 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.781 10.853 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.487 11.816 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.170 10.139 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.829 8.994 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.239 8.247 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.303 8.625 -2.260 1.00 0.00 H new ATOM 1128 N ASN A 72 3.150 10.820 -4.358 1.00 0.00 N ATOM 1129 CA ASN A 72 4.484 11.067 -4.900 1.00 0.00 C ATOM 1130 C ASN A 72 4.483 12.202 -5.923 1.00 0.00 C ATOM 1131 O ASN A 72 5.505 12.853 -6.138 1.00 0.00 O ATOM 1132 CB ASN A 72 5.034 9.792 -5.542 1.00 0.00 C ATOM 1133 CG ASN A 72 6.544 9.816 -5.674 1.00 0.00 C ATOM 1134 OD1 ASN A 72 7.264 9.908 -4.679 1.00 0.00 O ATOM 1135 ND2 ASN A 72 7.032 9.733 -6.905 1.00 0.00 N ATOM 0 H ASN A 72 2.867 9.840 -4.371 1.00 0.00 H new ATOM 0 HA ASN A 72 5.124 11.367 -4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.738 8.930 -4.944 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.588 9.663 -6.528 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.041 9.744 -7.056 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.398 9.658 -7.701 1.00 0.00 H new ATOM 1142 N ASN A 73 3.338 12.430 -6.556 1.00 0.00 N ATOM 1143 CA ASN A 73 3.221 13.482 -7.560 1.00 0.00 C ATOM 1144 C ASN A 73 2.914 14.840 -6.929 1.00 0.00 C ATOM 1145 O ASN A 73 2.703 15.823 -7.640 1.00 0.00 O ATOM 1146 CB ASN A 73 2.131 13.125 -8.572 1.00 0.00 C ATOM 1147 CG ASN A 73 2.318 13.837 -9.897 1.00 0.00 C ATOM 1148 OD1 ASN A 73 3.434 14.199 -10.269 1.00 0.00 O ATOM 1149 ND2 ASN A 73 1.221 14.041 -10.619 1.00 0.00 N ATOM 0 H ASN A 73 2.480 11.903 -6.393 1.00 0.00 H new ATOM 0 HA ASN A 73 4.183 13.558 -8.067 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.132 12.048 -8.738 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.156 13.383 -8.158 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.284 14.515 -11.520 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.316 13.724 -10.272 1.00 0.00 H new ATOM 1156 N HIS A 74 2.883 14.900 -5.599 1.00 0.00 N ATOM 1157 CA HIS A 74 2.589 16.154 -4.910 1.00 0.00 C ATOM 1158 C HIS A 74 3.254 16.234 -3.546 1.00 0.00 C ATOM 1159 O HIS A 74 2.727 16.881 -2.645 1.00 0.00 O ATOM 1160 CB HIS A 74 1.078 16.334 -4.762 1.00 0.00 C ATOM 1161 CG HIS A 74 0.403 16.787 -6.019 1.00 0.00 C ATOM 1162 ND1 HIS A 74 0.475 18.083 -6.487 1.00 0.00 N ATOM 1163 CD2 HIS A 74 -0.363 16.111 -6.908 1.00 0.00 C ATOM 1164 CE1 HIS A 74 -0.217 18.183 -7.609 1.00 0.00 C ATOM 1165 NE2 HIS A 74 -0.735 17.001 -7.886 1.00 0.00 N ATOM 0 H HIS A 74 3.056 14.105 -4.984 1.00 0.00 H new ATOM 0 HA HIS A 74 2.998 16.959 -5.521 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.637 15.389 -4.443 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.882 17.060 -3.973 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.632 15.066 -6.857 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.338 19.080 -8.199 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.317 16.784 -8.695 1.00 0.00 H new ATOM 1174 N LEU A 75 4.428 15.618 -3.402 1.00 0.00 N ATOM 1175 CA LEU A 75 5.161 15.680 -2.140 1.00 0.00 C ATOM 1176 C LEU A 75 5.261 17.133 -1.702 1.00 0.00 C ATOM 1177 O LEU A 75 6.249 17.815 -1.975 1.00 0.00 O ATOM 1178 CB LEU A 75 6.559 15.097 -2.300 1.00 0.00 C ATOM 1179 CG LEU A 75 6.817 13.806 -1.529 1.00 0.00 C ATOM 1180 CD1 LEU A 75 6.268 13.898 -0.113 1.00 0.00 C ATOM 1181 CD2 LEU A 75 6.218 12.618 -2.262 1.00 0.00 C ATOM 0 H LEU A 75 4.886 15.077 -4.135 1.00 0.00 H new ATOM 0 HA LEU A 75 4.630 15.095 -1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.739 14.911 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.286 15.844 -1.980 1.00 0.00 H new ATOM 0 HG LEU A 75 7.895 13.661 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.465 12.965 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.752 14.721 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.193 14.074 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.412 11.706 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.142 12.759 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.669 12.535 -3.251 1.00 0.00 H new ATOM 1193 N GLN A 76 4.209 17.604 -1.068 1.00 0.00 N ATOM 1194 CA GLN A 76 4.136 18.988 -0.636 1.00 0.00 C ATOM 1195 C GLN A 76 4.823 19.195 0.710 1.00 0.00 C ATOM 1196 O GLN A 76 5.404 20.248 0.966 1.00 0.00 O ATOM 1197 CB GLN A 76 2.676 19.435 -0.547 1.00 0.00 C ATOM 1198 CG GLN A 76 2.494 20.940 -0.664 1.00 0.00 C ATOM 1199 CD GLN A 76 1.195 21.318 -1.349 1.00 0.00 C ATOM 1200 OE1 GLN A 76 1.167 21.575 -2.553 1.00 0.00 O ATOM 1201 NE2 GLN A 76 0.110 21.355 -0.584 1.00 0.00 N ATOM 0 H GLN A 76 3.386 17.047 -0.838 1.00 0.00 H new ATOM 0 HA GLN A 76 4.659 19.593 -1.377 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.106 18.946 -1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.259 19.099 0.402 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.518 21.384 0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.331 21.361 -1.221 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.179 21.135 0.410 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.792 21.604 -0.990 1.00 0.00 H new ATOM 1210 N GLY A 77 4.737 18.188 1.573 1.00 0.00 N ATOM 1211 CA GLY A 77 5.342 18.286 2.889 1.00 0.00 C ATOM 1212 C GLY A 77 6.788 17.835 2.911 1.00 0.00 C ATOM 1213 O GLY A 77 7.540 18.190 3.820 1.00 0.00 O ATOM 0 H GLY A 77 4.260 17.306 1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.284 19.319 3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.768 17.683 3.592 1.00 0.00 H new ATOM 1217 N GLY A 78 7.183 17.050 1.915 1.00 0.00 N ATOM 1218 CA GLY A 78 8.547 16.567 1.852 1.00 0.00 C ATOM 1219 C GLY A 78 8.616 15.073 1.616 1.00 0.00 C ATOM 1220 O GLY A 78 7.952 14.295 2.302 1.00 0.00 O ATOM 0 H GLY A 78 6.582 16.740 1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.077 17.084 1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.060 16.810 2.783 1.00 0.00 H new ATOM 1224 N LYS A 79 9.420 14.673 0.640 1.00 0.00 N ATOM 1225 CA LYS A 79 9.581 13.263 0.300 1.00 0.00 C ATOM 1226 C LYS A 79 9.942 12.422 1.522 1.00 0.00 C ATOM 1227 O LYS A 79 9.773 11.209 1.507 1.00 0.00 O ATOM 1228 CB LYS A 79 10.650 13.095 -0.783 1.00 0.00 C ATOM 1229 CG LYS A 79 12.058 13.421 -0.309 1.00 0.00 C ATOM 1230 CD LYS A 79 12.647 14.597 -1.070 1.00 0.00 C ATOM 1231 CE LYS A 79 12.495 15.897 -0.297 1.00 0.00 C ATOM 1232 NZ LYS A 79 13.803 16.397 0.212 1.00 0.00 N ATOM 0 H LYS A 79 9.974 15.308 0.066 1.00 0.00 H new ATOM 0 HA LYS A 79 8.623 12.908 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.628 12.068 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.403 13.738 -1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.040 13.649 0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.697 12.547 -0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.703 14.412 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.154 14.689 -2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.044 16.652 -0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.814 15.744 0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.656 17.285 0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.222 15.688 0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.445 16.568 -0.588 1.00 0.00 H new ATOM 1246 N HIS A 80 10.441 13.059 2.576 1.00 0.00 N ATOM 1247 CA HIS A 80 10.820 12.334 3.786 1.00 0.00 C ATOM 1248 C HIS A 80 9.713 11.381 4.232 1.00 0.00 C ATOM 1249 O HIS A 80 9.984 10.259 4.658 1.00 0.00 O ATOM 1250 CB HIS A 80 11.160 13.313 4.913 1.00 0.00 C ATOM 1251 CG HIS A 80 12.458 13.015 5.596 1.00 0.00 C ATOM 1252 ND1 HIS A 80 12.678 13.258 6.936 1.00 0.00 N ATOM 1253 CD2 HIS A 80 13.611 12.488 5.118 1.00 0.00 C ATOM 1254 CE1 HIS A 80 13.909 12.896 7.251 1.00 0.00 C ATOM 1255 NE2 HIS A 80 14.495 12.425 6.166 1.00 0.00 N ATOM 0 H HIS A 80 10.592 14.067 2.619 1.00 0.00 H new ATOM 0 HA HIS A 80 11.704 11.740 3.554 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.197 14.323 4.506 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.358 13.296 5.651 1.00 0.00 H new ATOM 0 HD2 HIS A 80 13.799 12.176 4.101 1.00 0.00 H new ATOM 0 HE1 HIS A 80 14.359 12.972 8.230 1.00 0.00 H new ATOM 0 HE2 HIS A 80 15.450 12.071 6.115 1.00 0.00 H new ATOM 1264 N THR A 81 8.467 11.824 4.112 1.00 0.00 N ATOM 1265 CA THR A 81 7.330 10.994 4.484 1.00 0.00 C ATOM 1266 C THR A 81 7.193 9.851 3.497 1.00 0.00 C ATOM 1267 O THR A 81 7.524 8.706 3.803 1.00 0.00 O ATOM 1268 CB THR A 81 6.046 11.834 4.514 1.00 0.00 C ATOM 1269 OG1 THR A 81 5.889 12.461 5.773 1.00 0.00 O ATOM 1270 CG2 THR A 81 4.777 11.048 4.234 1.00 0.00 C ATOM 0 H THR A 81 8.220 12.749 3.761 1.00 0.00 H new ATOM 0 HA THR A 81 7.494 10.585 5.481 1.00 0.00 H new ATOM 0 HB THR A 81 6.174 12.561 3.712 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.935 12.561 5.972 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.918 11.718 4.275 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.839 10.597 3.243 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.662 10.264 4.983 1.00 0.00 H new ATOM 1278 N VAL A 82 6.713 10.179 2.304 1.00 0.00 N ATOM 1279 CA VAL A 82 6.534 9.192 1.253 1.00 0.00 C ATOM 1280 C VAL A 82 7.774 8.329 1.097 1.00 0.00 C ATOM 1281 O VAL A 82 7.668 7.137 0.854 1.00 0.00 O ATOM 1282 CB VAL A 82 6.218 9.853 -0.097 1.00 0.00 C ATOM 1283 CG1 VAL A 82 5.875 8.799 -1.140 1.00 0.00 C ATOM 1284 CG2 VAL A 82 5.087 10.855 0.057 1.00 0.00 C ATOM 0 H VAL A 82 6.440 11.126 2.042 1.00 0.00 H new ATOM 0 HA VAL A 82 5.690 8.569 1.550 1.00 0.00 H new ATOM 0 HB VAL A 82 7.103 10.389 -0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.654 9.286 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.721 8.123 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.004 8.232 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.875 11.315 -0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.195 10.344 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.379 11.626 0.770 1.00 0.00 H new ATOM 1294 N HIS A 83 8.955 8.923 1.257 1.00 0.00 N ATOM 1295 CA HIS A 83 10.192 8.165 1.139 1.00 0.00 C ATOM 1296 C HIS A 83 10.125 6.947 2.047 1.00 0.00 C ATOM 1297 O HIS A 83 10.525 5.847 1.667 1.00 0.00 O ATOM 1298 CB HIS A 83 11.400 9.032 1.505 1.00 0.00 C ATOM 1299 CG HIS A 83 12.711 8.321 1.366 1.00 0.00 C ATOM 1300 ND1 HIS A 83 13.288 7.598 2.388 1.00 0.00 N ATOM 1301 CD2 HIS A 83 13.558 8.223 0.313 1.00 0.00 C ATOM 1302 CE1 HIS A 83 14.435 7.089 1.972 1.00 0.00 C ATOM 1303 NE2 HIS A 83 14.620 7.453 0.716 1.00 0.00 N ATOM 0 H HIS A 83 9.078 9.914 1.466 1.00 0.00 H new ATOM 0 HA HIS A 83 10.310 7.842 0.105 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.407 9.918 0.870 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.291 9.378 2.533 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.423 8.668 -0.662 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.106 6.480 2.559 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.423 7.202 0.139 1.00 0.00 H new ATOM 1312 N HIS A 84 9.586 7.155 3.242 1.00 0.00 N ATOM 1313 CA HIS A 84 9.427 6.078 4.205 1.00 0.00 C ATOM 1314 C HIS A 84 8.252 5.186 3.818 1.00 0.00 C ATOM 1315 O HIS A 84 8.232 3.997 4.137 1.00 0.00 O ATOM 1316 CB HIS A 84 9.214 6.645 5.610 1.00 0.00 C ATOM 1317 CG HIS A 84 9.248 5.604 6.686 1.00 0.00 C ATOM 1318 ND1 HIS A 84 10.342 5.397 7.499 1.00 0.00 N ATOM 1319 CD2 HIS A 84 8.312 4.708 7.080 1.00 0.00 C ATOM 1320 CE1 HIS A 84 10.079 4.418 8.346 1.00 0.00 C ATOM 1321 NE2 HIS A 84 8.853 3.983 8.113 1.00 0.00 N ATOM 0 H HIS A 84 9.252 8.063 3.566 1.00 0.00 H new ATOM 0 HA HIS A 84 10.337 5.479 4.203 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.983 7.391 5.813 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.254 7.160 5.644 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.324 4.586 6.660 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.752 4.038 9.101 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.385 3.231 8.618 1.00 0.00 H new ATOM 1330 N ILE A 85 7.269 5.768 3.130 1.00 0.00 N ATOM 1331 CA ILE A 85 6.089 5.019 2.708 1.00 0.00 C ATOM 1332 C ILE A 85 6.337 4.307 1.377 1.00 0.00 C ATOM 1333 O ILE A 85 5.822 3.218 1.153 1.00 0.00 O ATOM 1334 CB ILE A 85 4.797 5.903 2.655 1.00 0.00 C ATOM 1335 CG1 ILE A 85 4.335 6.212 1.230 1.00 0.00 C ATOM 1336 CG2 ILE A 85 4.973 7.193 3.430 1.00 0.00 C ATOM 1337 CD1 ILE A 85 2.832 6.405 1.123 1.00 0.00 C ATOM 0 H ILE A 85 7.268 6.750 2.855 1.00 0.00 H new ATOM 0 HA ILE A 85 5.909 4.261 3.470 1.00 0.00 H new ATOM 0 HB ILE A 85 4.017 5.306 3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.838 7.113 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.639 5.399 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.057 7.781 3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.191 6.964 4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.798 7.764 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.566 6.621 0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.325 5.496 1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.526 7.236 1.758 1.00 0.00 H new ATOM 1349 N GLU A 86 7.139 4.914 0.508 1.00 0.00 N ATOM 1350 CA GLU A 86 7.459 4.313 -0.783 1.00 0.00 C ATOM 1351 C GLU A 86 8.469 3.191 -0.595 1.00 0.00 C ATOM 1352 O GLU A 86 8.303 2.102 -1.140 1.00 0.00 O ATOM 1353 CB GLU A 86 7.992 5.362 -1.766 1.00 0.00 C ATOM 1354 CG GLU A 86 9.068 6.263 -1.190 1.00 0.00 C ATOM 1355 CD GLU A 86 10.357 6.230 -1.990 1.00 0.00 C ATOM 1356 OE1 GLU A 86 10.540 5.284 -2.785 1.00 0.00 O ATOM 1357 OE2 GLU A 86 11.184 7.151 -1.823 1.00 0.00 O ATOM 0 H GLU A 86 7.579 5.819 0.673 1.00 0.00 H new ATOM 0 HA GLU A 86 6.544 3.899 -1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.391 4.852 -2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.161 5.979 -2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.696 7.287 -1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.276 5.962 -0.163 1.00 0.00 H new ATOM 1364 N GLN A 87 9.498 3.441 0.213 1.00 0.00 N ATOM 1365 CA GLN A 87 10.495 2.419 0.491 1.00 0.00 C ATOM 1366 C GLN A 87 9.811 1.231 1.154 1.00 0.00 C ATOM 1367 O GLN A 87 10.224 0.084 0.994 1.00 0.00 O ATOM 1368 CB GLN A 87 11.599 2.966 1.400 1.00 0.00 C ATOM 1369 CG GLN A 87 12.834 3.436 0.647 1.00 0.00 C ATOM 1370 CD GLN A 87 12.510 4.454 -0.428 1.00 0.00 C ATOM 1371 OE1 GLN A 87 12.282 5.628 -0.139 1.00 0.00 O ATOM 1372 NE2 GLN A 87 12.490 4.006 -1.678 1.00 0.00 N ATOM 0 H GLN A 87 9.659 4.333 0.680 1.00 0.00 H new ATOM 0 HA GLN A 87 10.957 2.106 -0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.200 3.798 1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.890 2.192 2.110 1.00 0.00 H new ATOM 0 HG2 GLN A 87 13.541 3.871 1.353 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.326 2.577 0.192 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.685 3.024 -1.871 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.279 4.644 -2.445 1.00 0.00 H new ATOM 1381 N ASN A 88 8.740 1.531 1.886 1.00 0.00 N ATOM 1382 CA ASN A 88 7.960 0.513 2.568 1.00 0.00 C ATOM 1383 C ASN A 88 6.964 -0.117 1.602 1.00 0.00 C ATOM 1384 O ASN A 88 7.038 -1.308 1.311 1.00 0.00 O ATOM 1385 CB ASN A 88 7.220 1.123 3.761 1.00 0.00 C ATOM 1386 CG ASN A 88 7.991 0.977 5.057 1.00 0.00 C ATOM 1387 OD1 ASN A 88 7.586 0.239 5.954 1.00 0.00 O ATOM 1388 ND2 ASN A 88 9.112 1.682 5.162 1.00 0.00 N ATOM 0 H ASN A 88 8.394 2.481 2.020 1.00 0.00 H new ATOM 0 HA ASN A 88 8.636 -0.260 2.933 1.00 0.00 H new ATOM 0 HB2 ASN A 88 7.036 2.180 3.569 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.247 0.643 3.865 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.674 1.623 6.011 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.411 2.282 4.393 1.00 0.00 H new ATOM 1395 N ILE A 89 6.032 0.695 1.101 1.00 0.00 N ATOM 1396 CA ILE A 89 5.023 0.209 0.165 1.00 0.00 C ATOM 1397 C ILE A 89 5.665 -0.472 -1.028 1.00 0.00 C ATOM 1398 O ILE A 89 5.277 -1.578 -1.403 1.00 0.00 O ATOM 1399 CB ILE A 89 4.080 1.343 -0.319 1.00 0.00 C ATOM 1400 CG1 ILE A 89 2.681 1.105 0.230 1.00 0.00 C ATOM 1401 CG2 ILE A 89 4.032 1.437 -1.843 1.00 0.00 C ATOM 1402 CD1 ILE A 89 2.095 2.311 0.942 1.00 0.00 C ATOM 0 H ILE A 89 5.957 1.687 1.327 1.00 0.00 H new ATOM 0 HA ILE A 89 4.421 -0.520 0.708 1.00 0.00 H new ATOM 0 HB ILE A 89 4.473 2.289 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.021 0.821 -0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.709 0.263 0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.360 2.244 -2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.032 1.640 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.670 0.495 -2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.097 2.069 1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.733 2.582 1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.034 3.149 0.248 1.00 0.00 H new ATOM 1414 N LYS A 90 6.650 0.180 -1.623 1.00 0.00 N ATOM 1415 CA LYS A 90 7.325 -0.400 -2.766 1.00 0.00 C ATOM 1416 C LYS A 90 7.977 -1.715 -2.361 1.00 0.00 C ATOM 1417 O LYS A 90 8.104 -2.634 -3.168 1.00 0.00 O ATOM 1418 CB LYS A 90 8.366 0.562 -3.341 1.00 0.00 C ATOM 1419 CG LYS A 90 8.736 0.267 -4.786 1.00 0.00 C ATOM 1420 CD LYS A 90 7.842 1.026 -5.756 1.00 0.00 C ATOM 1421 CE LYS A 90 8.646 1.635 -6.895 1.00 0.00 C ATOM 1422 NZ LYS A 90 8.904 3.085 -6.678 1.00 0.00 N ATOM 0 H LYS A 90 6.994 1.097 -1.338 1.00 0.00 H new ATOM 0 HA LYS A 90 6.587 -0.590 -3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.984 1.580 -3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.266 0.518 -2.728 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.777 0.540 -4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.652 -0.803 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.088 0.351 -6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.311 1.814 -5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.595 1.108 -6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.108 1.498 -7.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.454 3.463 -7.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.999 3.592 -6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.440 3.214 -5.796 1.00 0.00 H new ATOM 1436 N GLU A 91 8.362 -1.802 -1.091 1.00 0.00 N ATOM 1437 CA GLU A 91 8.969 -3.011 -0.552 1.00 0.00 C ATOM 1438 C GLU A 91 7.894 -3.936 0.023 1.00 0.00 C ATOM 1439 O GLU A 91 8.188 -5.047 0.463 1.00 0.00 O ATOM 1440 CB GLU A 91 9.993 -2.660 0.530 1.00 0.00 C ATOM 1441 CG GLU A 91 10.792 -3.855 1.022 1.00 0.00 C ATOM 1442 CD GLU A 91 12.270 -3.741 0.704 1.00 0.00 C ATOM 1443 OE1 GLU A 91 12.897 -2.753 1.141 1.00 0.00 O ATOM 1444 OE2 GLU A 91 12.801 -4.639 0.017 1.00 0.00 O ATOM 0 H GLU A 91 8.263 -1.045 -0.415 1.00 0.00 H new ATOM 0 HA GLU A 91 9.481 -3.529 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.680 -1.910 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.475 -2.207 1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.663 -3.954 2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.396 -4.764 0.568 1.00 0.00 H new ATOM 1451 N ILE A 92 6.643 -3.469 0.003 1.00 0.00 N ATOM 1452 CA ILE A 92 5.523 -4.246 0.502 1.00 0.00 C ATOM 1453 C ILE A 92 5.128 -5.277 -0.540 1.00 0.00 C ATOM 1454 O ILE A 92 4.815 -6.421 -0.218 1.00 0.00 O ATOM 1455 CB ILE A 92 4.324 -3.332 0.868 1.00 0.00 C ATOM 1456 CG1 ILE A 92 4.235 -3.172 2.387 1.00 0.00 C ATOM 1457 CG2 ILE A 92 3.011 -3.871 0.319 1.00 0.00 C ATOM 1458 CD1 ILE A 92 5.529 -2.717 3.025 1.00 0.00 C ATOM 0 H ILE A 92 6.387 -2.550 -0.357 1.00 0.00 H new ATOM 0 HA ILE A 92 5.824 -4.758 1.416 1.00 0.00 H new ATOM 0 HB ILE A 92 4.496 -2.359 0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.451 -2.453 2.623 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.937 -4.124 2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.198 -3.201 0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.071 -3.937 -0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.823 -4.862 0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.391 -2.625 4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.312 -3.447 2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.818 -1.750 2.613 1.00 0.00 H new ATOM 1470 N PHE A 93 5.176 -4.860 -1.800 1.00 0.00 N ATOM 1471 CA PHE A 93 4.854 -5.740 -2.908 1.00 0.00 C ATOM 1472 C PHE A 93 5.807 -6.939 -2.927 1.00 0.00 C ATOM 1473 O PHE A 93 5.480 -7.996 -3.461 1.00 0.00 O ATOM 1474 CB PHE A 93 4.950 -4.970 -4.233 1.00 0.00 C ATOM 1475 CG PHE A 93 6.235 -5.217 -4.968 1.00 0.00 C ATOM 1476 CD1 PHE A 93 7.447 -5.011 -4.335 1.00 0.00 C ATOM 1477 CD2 PHE A 93 6.232 -5.679 -6.272 1.00 0.00 C ATOM 1478 CE1 PHE A 93 8.634 -5.259 -4.984 1.00 0.00 C ATOM 1479 CE2 PHE A 93 7.420 -5.930 -6.931 1.00 0.00 C ATOM 1480 CZ PHE A 93 8.624 -5.721 -6.286 1.00 0.00 C ATOM 0 H PHE A 93 5.436 -3.913 -2.076 1.00 0.00 H new ATOM 0 HA PHE A 93 3.835 -6.105 -2.782 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.113 -5.253 -4.872 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.852 -3.903 -4.034 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.462 -4.650 -3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.293 -5.845 -6.779 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.573 -5.093 -4.476 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.408 -6.289 -7.949 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.554 -5.918 -6.798 1.00 0.00 H new ATOM 1490 N HIS A 94 6.998 -6.752 -2.354 1.00 0.00 N ATOM 1491 CA HIS A 94 8.008 -7.802 -2.318 1.00 0.00 C ATOM 1492 C HIS A 94 7.482 -9.009 -1.569 1.00 0.00 C ATOM 1493 O HIS A 94 7.266 -10.069 -2.151 1.00 0.00 O ATOM 1494 CB HIS A 94 9.289 -7.289 -1.657 1.00 0.00 C ATOM 1495 CG HIS A 94 10.533 -7.947 -2.170 1.00 0.00 C ATOM 1496 ND1 HIS A 94 11.037 -9.118 -1.644 1.00 0.00 N ATOM 1497 CD2 HIS A 94 11.376 -7.591 -3.168 1.00 0.00 C ATOM 1498 CE1 HIS A 94 12.136 -9.453 -2.295 1.00 0.00 C ATOM 1499 NE2 HIS A 94 12.363 -8.544 -3.225 1.00 0.00 N ATOM 0 H HIS A 94 7.283 -5.880 -1.909 1.00 0.00 H new ATOM 0 HA HIS A 94 8.239 -8.096 -3.342 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.365 -6.213 -1.816 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.221 -7.448 -0.581 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.288 -6.720 -3.801 1.00 0.00 H new ATOM 0 HE1 HIS A 94 12.746 -10.323 -2.100 1.00 0.00 H new ATOM 0 HE2 HIS A 94 13.145 -8.549 -3.880 1.00 0.00 H new ATOM 1508 N HIS A 95 7.250 -8.832 -0.277 1.00 0.00 N ATOM 1509 CA HIS A 95 6.720 -9.906 0.545 1.00 0.00 C ATOM 1510 C HIS A 95 5.321 -10.299 0.074 1.00 0.00 C ATOM 1511 O HIS A 95 4.767 -11.303 0.521 1.00 0.00 O ATOM 1512 CB HIS A 95 6.684 -9.487 2.016 1.00 0.00 C ATOM 1513 CG HIS A 95 8.029 -9.499 2.673 1.00 0.00 C ATOM 1514 ND1 HIS A 95 8.950 -8.482 2.526 1.00 0.00 N ATOM 1515 CD2 HIS A 95 8.609 -10.413 3.487 1.00 0.00 C ATOM 1516 CE1 HIS A 95 10.037 -8.771 3.219 1.00 0.00 C ATOM 1517 NE2 HIS A 95 9.855 -9.936 3.811 1.00 0.00 N ATOM 0 H HIS A 95 7.420 -7.959 0.222 1.00 0.00 H new ATOM 0 HA HIS A 95 7.377 -10.770 0.445 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.261 -8.485 2.090 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.017 -10.156 2.560 1.00 0.00 H new ATOM 0 HD2 HIS A 95 8.173 -11.343 3.819 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.923 -8.158 3.289 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.531 -10.407 4.413 1.00 0.00 H new ATOM 1526 N LEU A 96 4.754 -9.505 -0.837 1.00 0.00 N ATOM 1527 CA LEU A 96 3.425 -9.784 -1.365 1.00 0.00 C ATOM 1528 C LEU A 96 3.515 -10.678 -2.591 1.00 0.00 C ATOM 1529 O LEU A 96 2.980 -11.786 -2.611 1.00 0.00 O ATOM 1530 CB LEU A 96 2.713 -8.480 -1.706 1.00 0.00 C ATOM 1531 CG LEU A 96 2.204 -7.706 -0.499 1.00 0.00 C ATOM 1532 CD1 LEU A 96 1.619 -6.372 -0.933 1.00 0.00 C ATOM 1533 CD2 LEU A 96 1.174 -8.513 0.276 1.00 0.00 C ATOM 0 H LEU A 96 5.195 -8.669 -1.220 1.00 0.00 H new ATOM 0 HA LEU A 96 2.849 -10.308 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.396 -7.844 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.871 -8.701 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 96 3.050 -7.518 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.259 -5.831 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.388 -5.783 -1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.790 -6.544 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.828 -7.935 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.328 -8.742 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.626 -9.442 0.624 1.00 0.00 H new ATOM 1545 N GLU A 97 4.215 -10.192 -3.609 1.00 0.00 N ATOM 1546 CA GLU A 97 4.400 -10.951 -4.836 1.00 0.00 C ATOM 1547 C GLU A 97 5.252 -12.188 -4.572 1.00 0.00 C ATOM 1548 O GLU A 97 5.341 -13.082 -5.414 1.00 0.00 O ATOM 1549 CB GLU A 97 5.059 -10.080 -5.907 1.00 0.00 C ATOM 1550 CG GLU A 97 4.067 -9.431 -6.858 1.00 0.00 C ATOM 1551 CD GLU A 97 4.701 -9.027 -8.175 1.00 0.00 C ATOM 1552 OE1 GLU A 97 5.801 -8.435 -8.148 1.00 0.00 O ATOM 1553 OE2 GLU A 97 4.098 -9.302 -9.233 1.00 0.00 O ATOM 0 H GLU A 97 4.663 -9.276 -3.607 1.00 0.00 H new ATOM 0 HA GLU A 97 3.421 -11.269 -5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.645 -9.301 -5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.755 -10.690 -6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.248 -10.124 -7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.635 -8.551 -6.382 1.00 0.00 H new ATOM 1560 N GLU A 98 5.874 -12.244 -3.392 1.00 0.00 N ATOM 1561 CA GLU A 98 6.706 -13.387 -3.031 1.00 0.00 C ATOM 1562 C GLU A 98 5.911 -14.414 -2.226 1.00 0.00 C ATOM 1563 O GLU A 98 6.459 -15.420 -1.774 1.00 0.00 O ATOM 1564 CB GLU A 98 7.932 -12.933 -2.235 1.00 0.00 C ATOM 1565 CG GLU A 98 9.180 -13.749 -2.524 1.00 0.00 C ATOM 1566 CD GLU A 98 10.430 -13.138 -1.922 1.00 0.00 C ATOM 1567 OE1 GLU A 98 10.593 -13.216 -0.686 1.00 0.00 O ATOM 1568 OE2 GLU A 98 11.246 -12.581 -2.687 1.00 0.00 O ATOM 0 H GLU A 98 5.817 -11.517 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 98 7.041 -13.858 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.133 -11.885 -2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.707 -12.994 -1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.049 -14.758 -2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.308 -13.840 -3.603 1.00 0.00 H new ATOM 1575 N LEU A 99 4.616 -14.157 -2.053 1.00 0.00 N ATOM 1576 CA LEU A 99 3.749 -15.061 -1.307 1.00 0.00 C ATOM 1577 C LEU A 99 2.911 -15.909 -2.257 1.00 0.00 C ATOM 1578 O LEU A 99 2.815 -17.126 -2.102 1.00 0.00 O ATOM 1579 CB LEU A 99 2.833 -14.267 -0.375 1.00 0.00 C ATOM 1580 CG LEU A 99 1.937 -15.115 0.525 1.00 0.00 C ATOM 1581 CD1 LEU A 99 2.666 -15.488 1.805 1.00 0.00 C ATOM 1582 CD2 LEU A 99 0.650 -14.372 0.842 1.00 0.00 C ATOM 0 H LEU A 99 4.146 -13.330 -2.420 1.00 0.00 H new ATOM 0 HA LEU A 99 4.378 -15.723 -0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.449 -13.623 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.203 -13.614 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 99 1.685 -16.033 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.012 -16.092 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.562 -16.058 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.948 -14.581 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.022 -14.990 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.885 -13.439 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.118 -14.154 -0.084 1.00 0.00 H new ATOM 1594 N VAL A 100 2.305 -15.253 -3.242 1.00 0.00 N ATOM 1595 CA VAL A 100 1.472 -15.939 -4.220 1.00 0.00 C ATOM 1596 C VAL A 100 2.325 -16.671 -5.252 1.00 0.00 C ATOM 1597 O VAL A 100 1.949 -17.737 -5.740 1.00 0.00 O ATOM 1598 CB VAL A 100 0.535 -14.954 -4.946 1.00 0.00 C ATOM 1599 CG1 VAL A 100 -0.408 -15.696 -5.884 1.00 0.00 C ATOM 1600 CG2 VAL A 100 -0.243 -14.123 -3.937 1.00 0.00 C ATOM 0 H VAL A 100 2.376 -14.245 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 100 0.870 -16.664 -3.672 1.00 0.00 H new ATOM 0 HB VAL A 100 1.143 -14.279 -5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.060 -14.981 -6.385 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.173 -16.241 -6.628 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.013 -16.398 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.900 -13.432 -4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.840 -14.782 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.453 -13.559 -3.316 1.00 0.00 H new ATOM 1610 N HIS A 101 3.474 -16.091 -5.582 1.00 0.00 N ATOM 1611 CA HIS A 101 4.381 -16.689 -6.556 1.00 0.00 C ATOM 1612 C HIS A 101 5.502 -17.455 -5.859 1.00 0.00 C ATOM 1613 O HIS A 101 6.620 -17.537 -6.367 1.00 0.00 O ATOM 1614 CB HIS A 101 4.971 -15.607 -7.464 1.00 0.00 C ATOM 1615 CG HIS A 101 4.262 -15.474 -8.777 1.00 0.00 C ATOM 1616 ND1 HIS A 101 2.919 -15.177 -8.881 1.00 0.00 N ATOM 1617 CD2 HIS A 101 4.717 -15.598 -10.047 1.00 0.00 C ATOM 1618 CE1 HIS A 101 2.580 -15.125 -10.157 1.00 0.00 C ATOM 1619 NE2 HIS A 101 3.652 -15.377 -10.885 1.00 0.00 N ATOM 0 H HIS A 101 3.800 -15.208 -5.190 1.00 0.00 H new ATOM 0 HA HIS A 101 3.811 -17.392 -7.163 1.00 0.00 H new ATOM 0 HB2 HIS A 101 4.937 -14.650 -6.944 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.021 -15.833 -7.649 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.729 -15.828 -10.345 1.00 0.00 H new ATOM 0 HE1 HIS A 101 1.593 -14.912 -10.540 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.684 -15.403 -11.904 1.00 0.00 H new ATOM 1628 N ARG A 102 5.194 -18.012 -4.692 1.00 0.00 N ATOM 1629 CA ARG A 102 6.175 -18.771 -3.926 1.00 0.00 C ATOM 1630 C ARG A 102 6.278 -20.203 -4.439 1.00 0.00 C ATOM 1631 O ARG A 102 7.416 -20.699 -4.583 1.00 0.00 O ATOM 1632 CB ARG A 102 5.803 -18.774 -2.441 1.00 0.00 C ATOM 1633 CG ARG A 102 6.868 -19.391 -1.548 1.00 0.00 C ATOM 1634 CD ARG A 102 7.667 -18.325 -0.815 1.00 0.00 C ATOM 1635 NE ARG A 102 8.804 -18.893 -0.096 1.00 0.00 N ATOM 1636 CZ ARG A 102 9.954 -19.234 -0.675 1.00 0.00 C ATOM 1637 NH1 ARG A 102 10.122 -19.066 -1.981 1.00 0.00 N ATOM 1638 NH2 ARG A 102 10.937 -19.743 0.054 1.00 0.00 N ATOM 1639 OXT ARG A 102 5.222 -20.818 -4.691 1.00 0.00 O ATOM 0 H ARG A 102 4.273 -17.952 -4.257 1.00 0.00 H new ATOM 0 HA ARG A 102 7.145 -18.290 -4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.620 -17.749 -2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 102 4.869 -19.321 -2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 102 6.397 -20.056 -0.824 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.541 -20.001 -2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.024 -17.583 -1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.017 -17.804 -0.112 1.00 0.00 H new ATOM 0 HE ARG A 102 8.712 -19.037 0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 102 9.368 -18.674 -2.546 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.005 -19.329 -2.420 1.00 0.00 H new ATOM 0 HH21 ARG A 102 10.813 -19.873 1.058 1.00 0.00 H new ATOM 0 HH22 ARG A 102 11.818 -20.004 -0.389 1.00 0.00 H new TER 1653 ARG A 102