USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 756 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 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 90:sc= 1.14 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0949 (180deg=-0.6) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 64:sc= 0.0528 USER MOD Single : A 5 TYR OH : rot 0:sc= -0.719 USER MOD Single : A 16 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.11) USER MOD Single : A 18 THR OG1 : rot -97:sc= 0.531 USER MOD Single : A 23 LYS NZ :NH3+ -125:sc= -0.229 (180deg=-1.69!) USER MOD Single : A 26 LYS NZ :NH3+ -149:sc= -0.102 (180deg=-0.482) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.136 F(o=-1.1,f=-0.14) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 174:sc= -0.77 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -1.03 X(o=-1,f=-1.1) USER MOD Single : A 54 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.13) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 87:sc= 1.28 USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= -0.0306 (180deg=-0.238) USER MOD Single : A 67 ASN : amide:sc= -0.546 K(o=-0.55,f=-2.2!) USER MOD Single : A 70 GLN : amide:sc= -2.43 K(o=-2.4,f=-6.4!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -1.43! X(o=-1.4!,f=-1.2) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-2!) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 146:sc= -1.75 (180deg=-4.09!) USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= -0.0469 (180deg=-0.301) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.538 -1.784 13.909 1.00 0.00 N ATOM 2 CA MET A 1 -8.413 -0.815 13.921 1.00 0.00 C ATOM 3 C MET A 1 -7.969 -0.486 12.499 1.00 0.00 C ATOM 4 O MET A 1 -7.590 -1.375 11.736 1.00 0.00 O ATOM 5 CB MET A 1 -7.236 -1.384 14.717 1.00 0.00 C ATOM 6 CG MET A 1 -6.114 -0.383 14.948 1.00 0.00 C ATOM 7 SD MET A 1 -4.694 -1.107 15.791 1.00 0.00 S ATOM 8 CE MET A 1 -5.446 -1.654 17.322 1.00 0.00 C ATOM 0 H1 MET A 1 -9.825 -1.995 14.886 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.343 -1.375 13.392 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.235 -2.662 13.440 1.00 0.00 H new ATOM 0 HA MET A 1 -8.756 0.103 14.398 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.599 -1.739 15.682 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.836 -2.249 14.189 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.793 0.024 13.989 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.494 0.452 15.537 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.668 -1.842 18.062 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.120 -0.882 17.692 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.007 -2.571 17.144 1.00 0.00 H new ATOM 20 N GLU A 2 -8.020 0.795 12.152 1.00 0.00 N ATOM 21 CA GLU A 2 -7.625 1.246 10.822 1.00 0.00 C ATOM 22 C GLU A 2 -6.169 0.892 10.535 1.00 0.00 C ATOM 23 O GLU A 2 -5.791 0.670 9.384 1.00 0.00 O ATOM 24 CB GLU A 2 -7.833 2.757 10.686 1.00 0.00 C ATOM 25 CG GLU A 2 -6.921 3.591 11.576 1.00 0.00 C ATOM 26 CD GLU A 2 -7.232 3.430 13.051 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.136 4.136 13.547 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.571 2.600 13.710 1.00 0.00 O ATOM 0 H GLU A 2 -8.331 1.541 12.774 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.254 0.734 10.093 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.671 3.044 9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.870 2.993 10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.885 3.306 11.395 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.015 4.642 11.302 1.00 0.00 H new ATOM 35 N SER A 3 -5.359 0.841 11.588 1.00 0.00 N ATOM 36 CA SER A 3 -3.943 0.518 11.454 1.00 0.00 C ATOM 37 C SER A 3 -3.751 -0.863 10.835 1.00 0.00 C ATOM 38 O SER A 3 -2.812 -1.085 10.070 1.00 0.00 O ATOM 39 CB SER A 3 -3.256 0.579 12.819 1.00 0.00 C ATOM 40 OG SER A 3 -3.364 1.873 13.387 1.00 0.00 O ATOM 0 H SER A 3 -5.660 1.020 12.546 1.00 0.00 H new ATOM 0 HA SER A 3 -3.490 1.255 10.791 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.705 -0.154 13.489 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.205 0.312 12.713 1.00 0.00 H new ATOM 0 HG SER A 3 -4.307 2.075 13.563 1.00 0.00 H new ATOM 46 N GLU A 4 -4.644 -1.786 11.171 1.00 0.00 N ATOM 47 CA GLU A 4 -4.575 -3.148 10.649 1.00 0.00 C ATOM 48 C GLU A 4 -5.004 -3.194 9.184 1.00 0.00 C ATOM 49 O GLU A 4 -4.539 -4.036 8.415 1.00 0.00 O ATOM 50 CB GLU A 4 -5.462 -4.078 11.481 1.00 0.00 C ATOM 51 CG GLU A 4 -5.326 -5.545 11.110 1.00 0.00 C ATOM 52 CD GLU A 4 -3.962 -6.110 11.450 1.00 0.00 C ATOM 53 OE1 GLU A 4 -3.036 -5.967 10.625 1.00 0.00 O ATOM 54 OE2 GLU A 4 -3.818 -6.696 12.544 1.00 0.00 O ATOM 0 H GLU A 4 -5.426 -1.617 11.804 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.540 -3.484 10.716 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.214 -3.955 12.535 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.503 -3.777 11.361 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.093 -6.120 11.630 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.508 -5.664 10.042 1.00 0.00 H new ATOM 61 N TYR A 5 -5.895 -2.281 8.806 1.00 0.00 N ATOM 62 CA TYR A 5 -6.402 -2.216 7.438 1.00 0.00 C ATOM 63 C TYR A 5 -5.354 -1.671 6.472 1.00 0.00 C ATOM 64 O TYR A 5 -5.240 -2.143 5.343 1.00 0.00 O ATOM 65 CB TYR A 5 -7.659 -1.345 7.384 1.00 0.00 C ATOM 66 CG TYR A 5 -8.171 -1.099 5.983 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.790 -2.111 5.261 1.00 0.00 C ATOM 68 CD2 TYR A 5 -8.032 0.146 5.381 1.00 0.00 C ATOM 69 CE1 TYR A 5 -9.257 -1.891 3.980 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.498 0.375 4.099 1.00 0.00 C ATOM 71 CZ TYR A 5 -9.109 -0.647 3.405 1.00 0.00 C ATOM 72 OH TYR A 5 -9.573 -0.424 2.128 1.00 0.00 O ATOM 0 H TYR A 5 -6.282 -1.573 9.431 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.647 -3.232 7.129 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.445 -1.821 7.970 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.446 -0.386 7.857 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.908 -3.087 5.709 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.552 0.948 5.923 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.735 -2.689 3.432 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.384 1.348 3.645 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.975 -1.246 1.778 1.00 0.00 H new ATOM 82 N ARG A 6 -4.595 -0.679 6.918 1.00 0.00 N ATOM 83 CA ARG A 6 -3.573 -0.066 6.077 1.00 0.00 C ATOM 84 C ARG A 6 -2.287 -0.890 6.056 1.00 0.00 C ATOM 85 O ARG A 6 -1.746 -1.181 4.990 1.00 0.00 O ATOM 86 CB ARG A 6 -3.275 1.355 6.559 1.00 0.00 C ATOM 87 CG ARG A 6 -2.946 1.442 8.041 1.00 0.00 C ATOM 88 CD ARG A 6 -2.667 2.875 8.463 1.00 0.00 C ATOM 89 NE ARG A 6 -2.394 2.981 9.894 1.00 0.00 N ATOM 90 CZ ARG A 6 -1.211 3.326 10.395 1.00 0.00 C ATOM 91 NH1 ARG A 6 -0.193 3.587 9.584 1.00 0.00 N ATOM 92 NH2 ARG A 6 -1.044 3.407 11.708 1.00 0.00 N ATOM 0 H ARG A 6 -4.666 -0.282 7.855 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.962 -0.030 5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.439 1.755 5.986 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.137 1.988 6.350 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.777 1.045 8.624 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.077 0.821 8.260 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.815 3.259 7.902 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.523 3.501 8.210 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.153 2.779 10.545 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.317 3.523 8.574 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.713 3.851 9.971 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.823 3.205 12.335 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.137 3.672 12.091 1.00 0.00 H new ATOM 106 N GLU A 7 -1.808 -1.266 7.235 1.00 0.00 N ATOM 107 CA GLU A 7 -0.575 -2.037 7.356 1.00 0.00 C ATOM 108 C GLU A 7 -0.619 -3.322 6.530 1.00 0.00 C ATOM 109 O GLU A 7 0.271 -3.576 5.720 1.00 0.00 O ATOM 110 CB GLU A 7 -0.313 -2.378 8.823 1.00 0.00 C ATOM 111 CG GLU A 7 0.971 -3.160 9.048 1.00 0.00 C ATOM 112 CD GLU A 7 1.185 -3.521 10.504 1.00 0.00 C ATOM 113 OE1 GLU A 7 0.702 -4.593 10.927 1.00 0.00 O ATOM 114 OE2 GLU A 7 1.835 -2.734 11.222 1.00 0.00 O ATOM 0 H GLU A 7 -2.256 -1.049 8.125 1.00 0.00 H new ATOM 0 HA GLU A 7 0.235 -1.419 6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.271 -1.454 9.400 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.153 -2.957 9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.946 -4.072 8.451 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.818 -2.571 8.695 1.00 0.00 H new ATOM 121 N MET A 8 -1.659 -4.123 6.734 1.00 0.00 N ATOM 122 CA MET A 8 -1.797 -5.392 6.025 1.00 0.00 C ATOM 123 C MET A 8 -2.034 -5.200 4.528 1.00 0.00 C ATOM 124 O MET A 8 -1.343 -5.797 3.705 1.00 0.00 O ATOM 125 CB MET A 8 -2.945 -6.207 6.627 1.00 0.00 C ATOM 126 CG MET A 8 -3.225 -7.507 5.890 1.00 0.00 C ATOM 127 SD MET A 8 -1.807 -8.622 5.881 1.00 0.00 S ATOM 128 CE MET A 8 -2.405 -9.919 4.800 1.00 0.00 C ATOM 0 H MET A 8 -2.418 -3.917 7.383 1.00 0.00 H new ATOM 0 HA MET A 8 -0.856 -5.929 6.142 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.712 -6.433 7.668 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.849 -5.598 6.628 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.073 -8.008 6.356 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.512 -7.283 4.863 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.638 -10.687 4.694 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.305 -10.362 5.226 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.636 -9.499 3.821 1.00 0.00 H new ATOM 138 N LEU A 9 -3.002 -4.358 4.178 1.00 0.00 N ATOM 139 CA LEU A 9 -3.337 -4.114 2.775 1.00 0.00 C ATOM 140 C LEU A 9 -2.128 -3.637 1.974 1.00 0.00 C ATOM 141 O LEU A 9 -2.003 -3.943 0.787 1.00 0.00 O ATOM 142 CB LEU A 9 -4.472 -3.090 2.677 1.00 0.00 C ATOM 143 CG LEU A 9 -5.038 -2.868 1.270 1.00 0.00 C ATOM 144 CD1 LEU A 9 -6.510 -2.496 1.344 1.00 0.00 C ATOM 145 CD2 LEU A 9 -4.255 -1.786 0.542 1.00 0.00 C ATOM 0 H LEU A 9 -3.569 -3.833 4.844 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.663 -5.061 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.284 -3.409 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.111 -2.135 3.060 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.941 -3.798 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.897 -2.342 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.065 -3.301 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.625 -1.579 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.672 -1.643 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.320 -0.852 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.211 -2.086 0.459 1.00 0.00 H new ATOM 157 N LEU A 10 -1.237 -2.897 2.623 1.00 0.00 N ATOM 158 CA LEU A 10 -0.052 -2.369 1.952 1.00 0.00 C ATOM 159 C LEU A 10 1.045 -3.423 1.813 1.00 0.00 C ATOM 160 O LEU A 10 1.496 -3.712 0.705 1.00 0.00 O ATOM 161 CB LEU A 10 0.487 -1.157 2.714 1.00 0.00 C ATOM 162 CG LEU A 10 -0.401 0.088 2.664 1.00 0.00 C ATOM 163 CD1 LEU A 10 0.020 1.082 3.735 1.00 0.00 C ATOM 164 CD2 LEU A 10 -0.342 0.731 1.286 1.00 0.00 C ATOM 0 H LEU A 10 -1.311 -2.649 3.610 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.352 -2.069 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.633 -1.438 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.468 -0.901 2.312 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.430 -0.214 2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.621 1.962 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.073 0.619 4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.056 1.378 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.980 1.615 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.685 1.020 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.689 0.019 0.537 1.00 0.00 H new ATOM 176 N LEU A 11 1.468 -3.996 2.936 1.00 0.00 N ATOM 177 CA LEU A 11 2.529 -5.000 2.933 1.00 0.00 C ATOM 178 C LEU A 11 2.190 -6.185 2.029 1.00 0.00 C ATOM 179 O LEU A 11 3.083 -6.887 1.555 1.00 0.00 O ATOM 180 CB LEU A 11 2.817 -5.480 4.361 1.00 0.00 C ATOM 181 CG LEU A 11 1.669 -6.217 5.062 1.00 0.00 C ATOM 182 CD1 LEU A 11 1.648 -7.690 4.680 1.00 0.00 C ATOM 183 CD2 LEU A 11 1.785 -6.061 6.570 1.00 0.00 C ATOM 0 H LEU A 11 1.093 -3.783 3.860 1.00 0.00 H new ATOM 0 HA LEU A 11 3.425 -4.528 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.684 -6.140 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.092 -4.616 4.966 1.00 0.00 H new ATOM 0 HG LEU A 11 0.730 -5.771 4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.824 -8.187 5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.515 -7.785 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.590 -8.155 4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.964 -6.589 7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.734 -6.478 6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.741 -5.004 6.831 1.00 0.00 H new ATOM 195 N THR A 12 0.899 -6.407 1.792 1.00 0.00 N ATOM 196 CA THR A 12 0.456 -7.513 0.945 1.00 0.00 C ATOM 197 C THR A 12 1.015 -7.382 -0.475 1.00 0.00 C ATOM 198 O THR A 12 0.942 -8.318 -1.271 1.00 0.00 O ATOM 199 CB THR A 12 -1.086 -7.595 0.890 1.00 0.00 C ATOM 200 OG1 THR A 12 -1.611 -7.776 2.210 1.00 0.00 O ATOM 201 CG2 THR A 12 -1.552 -8.744 0.005 1.00 0.00 C ATOM 0 H THR A 12 0.143 -5.838 2.173 1.00 0.00 H new ATOM 0 HA THR A 12 0.840 -8.431 1.391 1.00 0.00 H new ATOM 0 HB THR A 12 -1.453 -6.661 0.465 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.778 -6.901 2.619 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.642 -8.772 -0.011 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.178 -8.598 -1.008 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.170 -9.685 0.400 1.00 0.00 H new ATOM 209 N GLY A 13 1.586 -6.221 -0.784 1.00 0.00 N ATOM 210 CA GLY A 13 2.141 -6.002 -2.108 1.00 0.00 C ATOM 211 C GLY A 13 3.623 -5.665 -2.084 1.00 0.00 C ATOM 212 O GLY A 13 4.315 -5.835 -3.088 1.00 0.00 O ATOM 0 H GLY A 13 1.674 -5.431 -0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.987 -6.896 -2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.598 -5.191 -2.594 1.00 0.00 H new ATOM 216 N LEU A 14 4.116 -5.189 -0.942 1.00 0.00 N ATOM 217 CA LEU A 14 5.529 -4.833 -0.812 1.00 0.00 C ATOM 218 C LEU A 14 6.405 -6.080 -0.708 1.00 0.00 C ATOM 219 O LEU A 14 7.293 -6.299 -1.531 1.00 0.00 O ATOM 220 CB LEU A 14 5.760 -3.953 0.423 1.00 0.00 C ATOM 221 CG LEU A 14 5.487 -2.452 0.252 1.00 0.00 C ATOM 222 CD1 LEU A 14 6.294 -1.880 -0.904 1.00 0.00 C ATOM 223 CD2 LEU A 14 4.003 -2.195 0.050 1.00 0.00 C ATOM 0 H LEU A 14 3.563 -5.041 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 14 5.805 -4.278 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.129 -4.325 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.794 -4.078 0.743 1.00 0.00 H new ATOM 0 HG LEU A 14 5.801 -1.946 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.082 -0.815 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.357 -2.022 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.021 -2.392 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.832 -1.125 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.661 -2.719 -0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.450 -2.557 0.917 1.00 0.00 H new ATOM 235 N ASP A 15 6.146 -6.893 0.313 1.00 0.00 N ATOM 236 CA ASP A 15 6.917 -8.112 0.541 1.00 0.00 C ATOM 237 C ASP A 15 6.431 -9.255 -0.347 1.00 0.00 C ATOM 238 O ASP A 15 6.876 -10.395 -0.205 1.00 0.00 O ATOM 239 CB ASP A 15 6.830 -8.519 2.015 1.00 0.00 C ATOM 240 CG ASP A 15 7.797 -9.634 2.369 1.00 0.00 C ATOM 241 OD1 ASP A 15 8.988 -9.336 2.597 1.00 0.00 O ATOM 242 OD2 ASP A 15 7.361 -10.804 2.418 1.00 0.00 O ATOM 0 H ASP A 15 5.407 -6.729 0.997 1.00 0.00 H new ATOM 0 HA ASP A 15 7.956 -7.905 0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.037 -7.651 2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.813 -8.840 2.241 1.00 0.00 H new ATOM 247 N HIS A 16 5.523 -8.948 -1.268 1.00 0.00 N ATOM 248 CA HIS A 16 4.981 -9.963 -2.168 1.00 0.00 C ATOM 249 C HIS A 16 5.411 -9.718 -3.613 1.00 0.00 C ATOM 250 O HIS A 16 4.792 -10.228 -4.547 1.00 0.00 O ATOM 251 CB HIS A 16 3.454 -9.986 -2.077 1.00 0.00 C ATOM 252 CG HIS A 16 2.937 -10.509 -0.772 1.00 0.00 C ATOM 253 ND1 HIS A 16 2.038 -11.546 -0.665 1.00 0.00 N ATOM 254 CD2 HIS A 16 3.207 -10.115 0.499 1.00 0.00 C ATOM 255 CE1 HIS A 16 1.791 -11.745 0.637 1.00 0.00 C ATOM 256 NE2 HIS A 16 2.476 -10.902 1.386 1.00 0.00 N ATOM 0 H HIS A 16 5.148 -8.010 -1.411 1.00 0.00 H new ATOM 0 HA HIS A 16 5.378 -10.929 -1.857 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.074 -8.976 -2.230 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.060 -10.600 -2.886 1.00 0.00 H new ATOM 0 HD2 HIS A 16 3.881 -9.319 0.778 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.119 -12.497 1.023 1.00 0.00 H new ATOM 0 HE2 HIS A 16 2.471 -10.839 2.404 1.00 0.00 H new ATOM 264 N ILE A 17 6.478 -8.945 -3.794 1.00 0.00 N ATOM 265 CA ILE A 17 6.984 -8.646 -5.130 1.00 0.00 C ATOM 266 C ILE A 17 8.508 -8.696 -5.168 1.00 0.00 C ATOM 267 O ILE A 17 9.170 -8.568 -4.138 1.00 0.00 O ATOM 268 CB ILE A 17 6.511 -7.262 -5.617 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.983 -6.167 -4.656 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.996 -7.242 -5.758 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.609 -4.767 -5.095 1.00 0.00 C ATOM 0 H ILE A 17 7.007 -8.516 -3.035 1.00 0.00 H new ATOM 0 HA ILE A 17 6.584 -9.411 -5.796 1.00 0.00 H new ATOM 0 HB ILE A 17 6.949 -7.067 -6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.558 -6.354 -3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.066 -6.229 -4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.676 -6.259 -6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.688 -7.998 -6.480 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.538 -7.455 -4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.977 -4.046 -4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.056 -4.559 -6.067 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.525 -4.687 -5.170 1.00 0.00 H new ATOM 283 N THR A 18 9.059 -8.885 -6.365 1.00 0.00 N ATOM 284 CA THR A 18 10.506 -8.952 -6.543 1.00 0.00 C ATOM 285 C THR A 18 11.177 -7.666 -6.074 1.00 0.00 C ATOM 286 O THR A 18 10.520 -6.640 -5.903 1.00 0.00 O ATOM 287 CB THR A 18 10.883 -9.204 -8.014 1.00 0.00 C ATOM 288 OG1 THR A 18 10.351 -8.162 -8.842 1.00 0.00 O ATOM 289 CG2 THR A 18 10.356 -10.551 -8.485 1.00 0.00 C ATOM 0 H THR A 18 8.524 -8.994 -7.226 1.00 0.00 H new ATOM 0 HA THR A 18 10.859 -9.787 -5.938 1.00 0.00 H new ATOM 0 HB THR A 18 11.970 -9.210 -8.091 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.501 -8.456 -9.232 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.635 -10.707 -9.527 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.785 -11.344 -7.872 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.270 -10.569 -8.393 1.00 0.00 H new ATOM 297 N GLU A 19 12.490 -7.729 -5.870 1.00 0.00 N ATOM 298 CA GLU A 19 13.250 -6.570 -5.417 1.00 0.00 C ATOM 299 C GLU A 19 13.312 -5.492 -6.495 1.00 0.00 C ATOM 300 O GLU A 19 13.186 -4.303 -6.202 1.00 0.00 O ATOM 301 CB GLU A 19 14.669 -6.985 -5.016 1.00 0.00 C ATOM 302 CG GLU A 19 14.725 -7.844 -3.762 1.00 0.00 C ATOM 303 CD GLU A 19 14.042 -9.188 -3.937 1.00 0.00 C ATOM 304 OE1 GLU A 19 14.700 -10.126 -4.435 1.00 0.00 O ATOM 305 OE2 GLU A 19 12.852 -9.300 -3.578 1.00 0.00 O ATOM 0 H GLU A 19 13.049 -8.571 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 19 12.737 -6.157 -4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.124 -7.533 -5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.269 -6.089 -4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.767 -8.005 -3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.254 -7.307 -2.938 1.00 0.00 H new ATOM 312 N GLU A 20 13.505 -5.914 -7.742 1.00 0.00 N ATOM 313 CA GLU A 20 13.587 -4.981 -8.860 1.00 0.00 C ATOM 314 C GLU A 20 12.313 -4.148 -8.977 1.00 0.00 C ATOM 315 O GLU A 20 12.372 -2.933 -9.164 1.00 0.00 O ATOM 316 CB GLU A 20 13.844 -5.734 -10.169 1.00 0.00 C ATOM 317 CG GLU A 20 12.823 -6.821 -10.464 1.00 0.00 C ATOM 318 CD GLU A 20 13.091 -7.528 -11.778 1.00 0.00 C ATOM 319 OE1 GLU A 20 13.834 -8.533 -11.771 1.00 0.00 O ATOM 320 OE2 GLU A 20 12.560 -7.077 -12.814 1.00 0.00 O ATOM 0 H GLU A 20 13.607 -6.895 -8.003 1.00 0.00 H new ATOM 0 HA GLU A 20 14.421 -4.305 -8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.849 -5.020 -10.993 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.837 -6.182 -10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.830 -7.551 -9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.826 -6.381 -10.488 1.00 0.00 H new ATOM 327 N GLU A 21 11.165 -4.808 -8.865 1.00 0.00 N ATOM 328 CA GLU A 21 9.880 -4.125 -8.958 1.00 0.00 C ATOM 329 C GLU A 21 9.555 -3.391 -7.661 1.00 0.00 C ATOM 330 O GLU A 21 8.854 -2.380 -7.667 1.00 0.00 O ATOM 331 CB GLU A 21 8.769 -5.125 -9.279 1.00 0.00 C ATOM 332 CG GLU A 21 8.988 -5.882 -10.579 1.00 0.00 C ATOM 333 CD GLU A 21 7.879 -6.874 -10.868 1.00 0.00 C ATOM 334 OE1 GLU A 21 7.952 -8.012 -10.358 1.00 0.00 O ATOM 335 OE2 GLU A 21 6.936 -6.514 -11.604 1.00 0.00 O ATOM 0 H GLU A 21 11.098 -5.814 -8.710 1.00 0.00 H new ATOM 0 HA GLU A 21 9.947 -3.392 -9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.688 -5.841 -8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.818 -4.594 -9.333 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.058 -5.171 -11.402 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.940 -6.410 -10.532 1.00 0.00 H new ATOM 342 N LEU A 22 10.070 -3.909 -6.553 1.00 0.00 N ATOM 343 CA LEU A 22 9.834 -3.312 -5.244 1.00 0.00 C ATOM 344 C LEU A 22 10.374 -1.886 -5.186 1.00 0.00 C ATOM 345 O LEU A 22 9.814 -1.028 -4.504 1.00 0.00 O ATOM 346 CB LEU A 22 10.477 -4.168 -4.150 1.00 0.00 C ATOM 347 CG LEU A 22 10.232 -3.696 -2.714 1.00 0.00 C ATOM 348 CD1 LEU A 22 8.743 -3.594 -2.427 1.00 0.00 C ATOM 349 CD2 LEU A 22 10.897 -4.644 -1.727 1.00 0.00 C ATOM 0 H LEU A 22 10.656 -4.744 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 22 8.758 -3.273 -5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.106 -5.188 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.552 -4.202 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 22 10.671 -2.705 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.592 -3.257 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.288 -2.880 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.279 -4.571 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.715 -4.297 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.483 -5.645 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.970 -4.670 -1.915 1.00 0.00 H new ATOM 361 N LYS A 23 11.464 -1.640 -5.905 1.00 0.00 N ATOM 362 CA LYS A 23 12.074 -0.315 -5.937 1.00 0.00 C ATOM 363 C LYS A 23 11.282 0.625 -6.840 1.00 0.00 C ATOM 364 O LYS A 23 11.179 1.821 -6.566 1.00 0.00 O ATOM 365 CB LYS A 23 13.522 -0.407 -6.418 1.00 0.00 C ATOM 366 CG LYS A 23 14.422 -1.188 -5.477 1.00 0.00 C ATOM 367 CD LYS A 23 15.862 -1.195 -5.963 1.00 0.00 C ATOM 368 CE LYS A 23 16.771 -1.926 -4.989 1.00 0.00 C ATOM 369 NZ LYS A 23 16.772 -1.284 -3.646 1.00 0.00 N ATOM 0 H LYS A 23 11.943 -2.339 -6.473 1.00 0.00 H new ATOM 0 HA LYS A 23 12.063 0.088 -4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.541 -0.877 -7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.922 0.600 -6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.375 -0.750 -4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.060 -2.213 -5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.915 -1.672 -6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.210 -0.170 -6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.446 -2.962 -4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.787 -1.945 -5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.749 -1.056 -3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.209 -0.410 -3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.359 -1.936 -2.949 1.00 0.00 H new ATOM 383 N ARG A 24 10.726 0.076 -7.914 1.00 0.00 N ATOM 384 CA ARG A 24 9.940 0.867 -8.856 1.00 0.00 C ATOM 385 C ARG A 24 8.674 1.400 -8.192 1.00 0.00 C ATOM 386 O ARG A 24 8.353 2.582 -8.308 1.00 0.00 O ATOM 387 CB ARG A 24 9.572 0.023 -10.079 1.00 0.00 C ATOM 388 CG ARG A 24 10.762 -0.329 -10.956 1.00 0.00 C ATOM 389 CD ARG A 24 10.375 -1.299 -12.062 1.00 0.00 C ATOM 390 NE ARG A 24 9.388 -0.726 -12.974 1.00 0.00 N ATOM 391 CZ ARG A 24 9.001 -1.311 -14.104 1.00 0.00 C ATOM 392 NH1 ARG A 24 9.515 -2.482 -14.459 1.00 0.00 N ATOM 393 NH2 ARG A 24 8.099 -0.726 -14.881 1.00 0.00 N ATOM 0 H ARG A 24 10.804 -0.912 -8.155 1.00 0.00 H new ATOM 0 HA ARG A 24 10.546 1.714 -9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.093 -0.897 -9.744 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.839 0.565 -10.676 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.172 0.580 -11.396 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.548 -0.770 -10.343 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.265 -1.582 -12.623 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.973 -2.211 -11.620 1.00 0.00 H new ATOM 0 HE ARG A 24 8.972 0.173 -12.730 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.209 -2.936 -13.865 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.216 -2.928 -15.326 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.701 0.174 -14.612 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.803 -1.176 -15.747 1.00 0.00 H new ATOM 407 N PHE A 25 7.965 0.518 -7.494 1.00 0.00 N ATOM 408 CA PHE A 25 6.730 0.887 -6.809 1.00 0.00 C ATOM 409 C PHE A 25 6.953 2.063 -5.860 1.00 0.00 C ATOM 410 O PHE A 25 6.156 3.001 -5.824 1.00 0.00 O ATOM 411 CB PHE A 25 6.177 -0.315 -6.039 1.00 0.00 C ATOM 412 CG PHE A 25 5.041 0.023 -5.115 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.809 0.408 -5.618 1.00 0.00 C ATOM 414 CD2 PHE A 25 5.208 -0.047 -3.741 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.764 0.716 -4.768 1.00 0.00 C ATOM 416 CE2 PHE A 25 4.167 0.260 -2.886 1.00 0.00 C ATOM 417 CZ PHE A 25 2.943 0.642 -3.400 1.00 0.00 C ATOM 0 H PHE A 25 8.226 -0.462 -7.387 1.00 0.00 H new ATOM 0 HA PHE A 25 6.005 1.195 -7.562 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.840 -1.067 -6.752 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.983 -0.764 -5.459 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.664 0.468 -6.686 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.163 -0.345 -3.334 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.808 1.014 -5.173 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.310 0.201 -1.817 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.128 0.882 -2.734 1.00 0.00 H new ATOM 427 N LYS A 26 8.034 2.006 -5.090 1.00 0.00 N ATOM 428 CA LYS A 26 8.355 3.070 -4.145 1.00 0.00 C ATOM 429 C LYS A 26 8.642 4.379 -4.873 1.00 0.00 C ATOM 430 O LYS A 26 8.363 5.463 -4.361 1.00 0.00 O ATOM 431 CB LYS A 26 9.556 2.676 -3.288 1.00 0.00 C ATOM 432 CG LYS A 26 9.275 1.506 -2.359 1.00 0.00 C ATOM 433 CD LYS A 26 10.243 1.474 -1.186 1.00 0.00 C ATOM 434 CE LYS A 26 10.012 2.643 -0.243 1.00 0.00 C ATOM 435 NZ LYS A 26 10.964 2.632 0.899 1.00 0.00 N ATOM 0 H LYS A 26 8.702 1.235 -5.101 1.00 0.00 H new ATOM 0 HA LYS A 26 7.490 3.218 -3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.391 2.420 -3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.867 3.535 -2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.253 1.575 -1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.348 0.573 -2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.126 0.537 -0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.267 1.501 -1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.116 3.579 -0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.991 2.607 0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.508 3.049 1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.243 1.652 1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.808 3.187 0.653 1.00 0.00 H new ATOM 449 N TYR A 27 9.203 4.266 -6.073 1.00 0.00 N ATOM 450 CA TYR A 27 9.541 5.434 -6.881 1.00 0.00 C ATOM 451 C TYR A 27 8.292 6.129 -7.427 1.00 0.00 C ATOM 452 O TYR A 27 8.174 7.352 -7.358 1.00 0.00 O ATOM 453 CB TYR A 27 10.457 5.024 -8.036 1.00 0.00 C ATOM 454 CG TYR A 27 10.883 6.173 -8.923 1.00 0.00 C ATOM 455 CD1 TYR A 27 11.974 6.966 -8.591 1.00 0.00 C ATOM 456 CD2 TYR A 27 10.196 6.462 -10.096 1.00 0.00 C ATOM 457 CE1 TYR A 27 12.368 8.015 -9.400 1.00 0.00 C ATOM 458 CE2 TYR A 27 10.584 7.509 -10.912 1.00 0.00 C ATOM 459 CZ TYR A 27 11.669 8.282 -10.559 1.00 0.00 C ATOM 460 OH TYR A 27 12.057 9.326 -11.368 1.00 0.00 O ATOM 0 H TYR A 27 9.434 3.373 -6.509 1.00 0.00 H new ATOM 0 HA TYR A 27 10.060 6.143 -6.236 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.347 4.545 -7.628 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.945 4.279 -8.645 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.524 6.759 -7.685 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.345 5.859 -10.375 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.218 8.622 -9.126 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.040 7.720 -11.821 1.00 0.00 H new ATOM 0 HH TYR A 27 11.461 9.377 -12.144 1.00 0.00 H new ATOM 470 N PHE A 28 7.362 5.346 -7.970 1.00 0.00 N ATOM 471 CA PHE A 28 6.135 5.900 -8.538 1.00 0.00 C ATOM 472 C PHE A 28 5.230 6.477 -7.457 1.00 0.00 C ATOM 473 O PHE A 28 4.768 7.613 -7.565 1.00 0.00 O ATOM 474 CB PHE A 28 5.382 4.832 -9.333 1.00 0.00 C ATOM 475 CG PHE A 28 6.096 4.400 -10.583 1.00 0.00 C ATOM 476 CD1 PHE A 28 6.269 5.282 -11.639 1.00 0.00 C ATOM 477 CD2 PHE A 28 6.591 3.112 -10.703 1.00 0.00 C ATOM 478 CE1 PHE A 28 6.924 4.887 -12.790 1.00 0.00 C ATOM 479 CE2 PHE A 28 7.247 2.711 -11.852 1.00 0.00 C ATOM 480 CZ PHE A 28 7.412 3.599 -12.896 1.00 0.00 C ATOM 0 H PHE A 28 7.434 4.330 -8.029 1.00 0.00 H new ATOM 0 HA PHE A 28 6.421 6.710 -9.209 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.222 3.962 -8.696 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.398 5.216 -9.601 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.887 6.289 -11.561 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.463 2.413 -9.890 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.054 5.584 -13.605 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.630 1.704 -11.933 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.922 3.287 -13.795 1.00 0.00 H new ATOM 490 N ALA A 29 4.977 5.691 -6.417 1.00 0.00 N ATOM 491 CA ALA A 29 4.122 6.129 -5.321 1.00 0.00 C ATOM 492 C ALA A 29 4.691 7.366 -4.636 1.00 0.00 C ATOM 493 O ALA A 29 3.993 8.364 -4.455 1.00 0.00 O ATOM 494 CB ALA A 29 3.945 5.007 -4.310 1.00 0.00 C ATOM 0 H ALA A 29 5.351 4.748 -6.310 1.00 0.00 H new ATOM 0 HA ALA A 29 3.150 6.390 -5.739 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.304 5.348 -3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.486 4.147 -4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.918 4.721 -3.910 1.00 0.00 H new ATOM 500 N LEU A 30 5.963 7.294 -4.260 1.00 0.00 N ATOM 501 CA LEU A 30 6.625 8.404 -3.585 1.00 0.00 C ATOM 502 C LEU A 30 7.425 9.249 -4.572 1.00 0.00 C ATOM 503 O LEU A 30 8.596 8.974 -4.834 1.00 0.00 O ATOM 504 CB LEU A 30 7.547 7.865 -2.491 1.00 0.00 C ATOM 505 CG LEU A 30 6.939 6.757 -1.630 1.00 0.00 C ATOM 506 CD1 LEU A 30 8.025 6.028 -0.856 1.00 0.00 C ATOM 507 CD2 LEU A 30 5.896 7.328 -0.680 1.00 0.00 C ATOM 0 H LEU A 30 6.556 6.478 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 30 5.861 9.040 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.457 7.487 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.840 8.691 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 30 6.446 6.041 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.574 5.243 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.734 5.584 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.546 6.733 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.475 6.524 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.363 8.066 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.102 7.804 -1.255 1.00 0.00 H new ATOM 519 N THR A 31 6.781 10.274 -5.122 1.00 0.00 N ATOM 520 CA THR A 31 7.433 11.162 -6.078 1.00 0.00 C ATOM 521 C THR A 31 8.066 12.368 -5.392 1.00 0.00 C ATOM 522 O THR A 31 9.233 12.686 -5.627 1.00 0.00 O ATOM 523 CB THR A 31 6.440 11.662 -7.142 1.00 0.00 C ATOM 524 OG1 THR A 31 5.397 12.422 -6.519 1.00 0.00 O ATOM 525 CG2 THR A 31 5.837 10.495 -7.904 1.00 0.00 C ATOM 0 H THR A 31 5.809 10.510 -4.922 1.00 0.00 H new ATOM 0 HA THR A 31 8.217 10.575 -6.557 1.00 0.00 H new ATOM 0 HB THR A 31 6.980 12.296 -7.845 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.770 12.738 -7.202 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.138 10.871 -8.651 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.630 9.935 -8.399 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.309 9.841 -7.210 1.00 0.00 H new ATOM 533 N GLU A 32 7.289 13.035 -4.543 1.00 0.00 N ATOM 534 CA GLU A 32 7.765 14.219 -3.836 1.00 0.00 C ATOM 535 C GLU A 32 8.283 13.881 -2.441 1.00 0.00 C ATOM 536 O GLU A 32 8.563 14.776 -1.644 1.00 0.00 O ATOM 537 CB GLU A 32 6.644 15.257 -3.736 1.00 0.00 C ATOM 538 CG GLU A 32 5.391 14.742 -3.044 1.00 0.00 C ATOM 539 CD GLU A 32 4.290 15.782 -2.983 1.00 0.00 C ATOM 540 OE1 GLU A 32 3.498 15.866 -3.945 1.00 0.00 O ATOM 541 OE2 GLU A 32 4.222 16.514 -1.973 1.00 0.00 O ATOM 0 H GLU A 32 6.326 12.775 -4.328 1.00 0.00 H new ATOM 0 HA GLU A 32 8.597 14.630 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.015 16.128 -3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.382 15.593 -4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.025 13.861 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.643 14.425 -2.032 1.00 0.00 H new ATOM 548 N PHE A 33 8.414 12.592 -2.148 1.00 0.00 N ATOM 549 CA PHE A 33 8.902 12.162 -0.841 1.00 0.00 C ATOM 550 C PHE A 33 10.351 11.693 -0.921 1.00 0.00 C ATOM 551 O PHE A 33 11.076 11.722 0.074 1.00 0.00 O ATOM 552 CB PHE A 33 8.017 11.046 -0.283 1.00 0.00 C ATOM 553 CG PHE A 33 6.572 11.438 -0.160 1.00 0.00 C ATOM 554 CD1 PHE A 33 6.178 12.397 0.761 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.610 10.853 -0.967 1.00 0.00 C ATOM 556 CE1 PHE A 33 4.851 12.763 0.875 1.00 0.00 C ATOM 557 CE2 PHE A 33 4.282 11.217 -0.858 1.00 0.00 C ATOM 558 CZ PHE A 33 3.902 12.172 0.064 1.00 0.00 C ATOM 0 H PHE A 33 8.192 11.832 -2.791 1.00 0.00 H new ATOM 0 HA PHE A 33 8.859 13.019 -0.168 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.095 10.172 -0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.391 10.751 0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.917 12.863 1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.901 10.104 -1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.556 13.510 1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.541 10.755 -1.494 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.864 12.457 0.151 1.00 0.00 H new ATOM 568 N GLN A 34 10.767 11.274 -2.116 1.00 0.00 N ATOM 569 CA GLN A 34 12.133 10.805 -2.344 1.00 0.00 C ATOM 570 C GLN A 34 12.605 9.877 -1.221 1.00 0.00 C ATOM 571 O GLN A 34 13.799 9.802 -0.928 1.00 0.00 O ATOM 572 CB GLN A 34 13.080 12.002 -2.472 1.00 0.00 C ATOM 573 CG GLN A 34 14.427 11.661 -3.091 1.00 0.00 C ATOM 574 CD GLN A 34 14.306 11.124 -4.506 1.00 0.00 C ATOM 575 OE1 GLN A 34 13.293 11.584 -5.233 1.00 0.00 O flip ATOM 576 NE2 GLN A 34 15.116 10.307 -4.942 1.00 0.00 N flip ATOM 0 H GLN A 34 10.173 11.250 -2.945 1.00 0.00 H new ATOM 0 HA GLN A 34 12.142 10.233 -3.272 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.598 12.771 -3.076 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.244 12.430 -1.483 1.00 0.00 H new ATOM 0 HG2 GLN A 34 15.054 12.552 -3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.931 10.921 -2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.879 9.980 -4.350 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.024 9.957 -5.896 1.00 0.00 H new ATOM 585 N ILE A 35 11.665 9.168 -0.600 1.00 0.00 N ATOM 586 CA ILE A 35 11.999 8.250 0.485 1.00 0.00 C ATOM 587 C ILE A 35 13.025 7.220 0.029 1.00 0.00 C ATOM 588 O ILE A 35 12.941 6.693 -1.080 1.00 0.00 O ATOM 589 CB ILE A 35 10.745 7.523 1.022 1.00 0.00 C ATOM 590 CG1 ILE A 35 9.852 8.510 1.781 1.00 0.00 C ATOM 591 CG2 ILE A 35 11.140 6.357 1.921 1.00 0.00 C ATOM 592 CD1 ILE A 35 8.540 7.916 2.256 1.00 0.00 C ATOM 0 H ILE A 35 10.672 9.211 -0.828 1.00 0.00 H new ATOM 0 HA ILE A 35 12.424 8.850 1.290 1.00 0.00 H new ATOM 0 HB ILE A 35 10.186 7.122 0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.400 8.891 2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.640 9.363 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.242 5.860 2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.742 5.647 1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.719 6.729 2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.966 8.677 2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.969 7.561 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.741 7.082 2.928 1.00 0.00 H new ATOM 604 N ALA A 36 13.995 6.944 0.896 1.00 0.00 N ATOM 605 CA ALA A 36 15.045 5.980 0.596 1.00 0.00 C ATOM 606 C ALA A 36 14.453 4.654 0.132 1.00 0.00 C ATOM 607 O ALA A 36 13.575 4.093 0.788 1.00 0.00 O ATOM 608 CB ALA A 36 15.920 5.773 1.821 1.00 0.00 C ATOM 0 H ALA A 36 14.074 7.378 1.816 1.00 0.00 H new ATOM 0 HA ALA A 36 15.656 6.375 -0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.703 5.051 1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.374 6.721 2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.311 5.398 2.644 1.00 0.00 H new ATOM 614 N ARG A 37 14.937 4.162 -1.004 1.00 0.00 N ATOM 615 CA ARG A 37 14.451 2.908 -1.558 1.00 0.00 C ATOM 616 C ARG A 37 14.823 1.736 -0.660 1.00 0.00 C ATOM 617 O ARG A 37 13.997 0.874 -0.394 1.00 0.00 O ATOM 618 CB ARG A 37 15.012 2.691 -2.965 1.00 0.00 C ATOM 619 CG ARG A 37 16.531 2.726 -3.030 1.00 0.00 C ATOM 620 CD ARG A 37 17.033 2.474 -4.442 1.00 0.00 C ATOM 621 NE ARG A 37 18.490 2.533 -4.522 1.00 0.00 N ATOM 622 CZ ARG A 37 19.162 2.656 -5.663 1.00 0.00 C ATOM 623 NH1 ARG A 37 18.510 2.735 -6.815 1.00 0.00 N ATOM 624 NH2 ARG A 37 20.487 2.701 -5.651 1.00 0.00 N ATOM 0 H ARG A 37 15.665 4.614 -1.557 1.00 0.00 H new ATOM 0 HA ARG A 37 13.364 2.965 -1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 37 14.663 1.729 -3.341 1.00 0.00 H new ATOM 0 HB3 ARG A 37 14.611 3.457 -3.629 1.00 0.00 H new ATOM 0 HG2 ARG A 37 16.889 3.695 -2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 37 16.943 1.974 -2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 37 16.690 1.496 -4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 37 16.602 3.213 -5.117 1.00 0.00 H new ATOM 0 HE ARG A 37 19.022 2.477 -3.654 1.00 0.00 H new ATOM 0 HH11 ARG A 37 17.491 2.701 -6.827 1.00 0.00 H new ATOM 0 HH12 ARG A 37 19.028 2.829 -7.689 1.00 0.00 H new ATOM 0 HH21 ARG A 37 20.991 2.641 -4.766 1.00 0.00 H new ATOM 0 HH22 ARG A 37 21.002 2.795 -6.526 1.00 0.00 H new ATOM 638 N SER A 38 16.064 1.727 -0.183 1.00 0.00 N ATOM 639 CA SER A 38 16.556 0.653 0.679 1.00 0.00 C ATOM 640 C SER A 38 15.611 0.394 1.851 1.00 0.00 C ATOM 641 O SER A 38 15.540 -0.721 2.368 1.00 0.00 O ATOM 642 CB SER A 38 17.952 0.997 1.203 1.00 0.00 C ATOM 643 OG SER A 38 18.865 1.180 0.136 1.00 0.00 O ATOM 0 H SER A 38 16.752 2.454 -0.379 1.00 0.00 H new ATOM 0 HA SER A 38 16.605 -0.256 0.080 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.905 1.904 1.805 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.306 0.199 1.856 1.00 0.00 H new ATOM 0 HG SER A 38 19.749 1.401 0.496 1.00 0.00 H new ATOM 649 N THR A 39 14.888 1.430 2.262 1.00 0.00 N ATOM 650 CA THR A 39 13.951 1.328 3.378 1.00 0.00 C ATOM 651 C THR A 39 12.919 0.220 3.159 1.00 0.00 C ATOM 652 O THR A 39 12.281 -0.237 4.107 1.00 0.00 O ATOM 653 CB THR A 39 13.216 2.664 3.603 1.00 0.00 C ATOM 654 OG1 THR A 39 14.163 3.735 3.681 1.00 0.00 O ATOM 655 CG2 THR A 39 12.388 2.623 4.879 1.00 0.00 C ATOM 0 H THR A 39 14.933 2.356 1.837 1.00 0.00 H new ATOM 0 HA THR A 39 14.542 1.082 4.260 1.00 0.00 H new ATOM 0 HB THR A 39 12.545 2.828 2.760 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.687 4.590 3.726 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.880 3.578 5.014 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.649 1.825 4.807 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.042 2.436 5.731 1.00 0.00 H new ATOM 663 N LEU A 40 12.765 -0.215 1.908 1.00 0.00 N ATOM 664 CA LEU A 40 11.800 -1.261 1.565 1.00 0.00 C ATOM 665 C LEU A 40 11.974 -2.515 2.425 1.00 0.00 C ATOM 666 O LEU A 40 11.124 -3.405 2.409 1.00 0.00 O ATOM 667 CB LEU A 40 11.904 -1.621 0.078 1.00 0.00 C ATOM 668 CG LEU A 40 13.322 -1.860 -0.450 1.00 0.00 C ATOM 669 CD1 LEU A 40 13.757 -3.298 -0.211 1.00 0.00 C ATOM 670 CD2 LEU A 40 13.399 -1.507 -1.931 1.00 0.00 C ATOM 0 H LEU A 40 13.297 0.141 1.114 1.00 0.00 H new ATOM 0 HA LEU A 40 10.807 -0.860 1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.313 -2.519 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.450 -0.819 -0.504 1.00 0.00 H new ATOM 0 HG LEU A 40 14.007 -1.212 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 40 14.767 -3.441 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.742 -3.510 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.074 -3.975 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 40 14.412 -1.681 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.701 -2.130 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.140 -0.457 -2.069 1.00 0.00 H new ATOM 682 N ASP A 41 13.074 -2.584 3.170 1.00 0.00 N ATOM 683 CA ASP A 41 13.340 -3.727 4.038 1.00 0.00 C ATOM 684 C ASP A 41 12.200 -3.923 5.037 1.00 0.00 C ATOM 685 O ASP A 41 11.793 -5.051 5.317 1.00 0.00 O ATOM 686 CB ASP A 41 14.663 -3.532 4.782 1.00 0.00 C ATOM 687 CG ASP A 41 15.063 -4.754 5.586 1.00 0.00 C ATOM 688 OD1 ASP A 41 14.607 -4.879 6.742 1.00 0.00 O ATOM 689 OD2 ASP A 41 15.834 -5.584 5.060 1.00 0.00 O ATOM 0 H ASP A 41 13.795 -1.863 3.190 1.00 0.00 H new ATOM 0 HA ASP A 41 13.413 -4.619 3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.449 -3.300 4.064 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.578 -2.674 5.449 1.00 0.00 H new ATOM 694 N VAL A 42 11.693 -2.815 5.570 1.00 0.00 N ATOM 695 CA VAL A 42 10.595 -2.849 6.534 1.00 0.00 C ATOM 696 C VAL A 42 9.582 -1.750 6.243 1.00 0.00 C ATOM 697 O VAL A 42 8.616 -1.568 6.983 1.00 0.00 O ATOM 698 CB VAL A 42 11.101 -2.664 7.973 1.00 0.00 C ATOM 699 CG1 VAL A 42 11.875 -3.887 8.438 1.00 0.00 C ATOM 700 CG2 VAL A 42 11.955 -1.413 8.075 1.00 0.00 C ATOM 0 H VAL A 42 12.027 -1.877 5.350 1.00 0.00 H new ATOM 0 HA VAL A 42 10.125 -3.828 6.437 1.00 0.00 H new ATOM 0 HB VAL A 42 10.238 -2.547 8.628 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.222 -3.731 9.459 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.226 -4.762 8.405 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.732 -4.046 7.783 1.00 0.00 H new ATOM 0 HG21 VAL A 42 12.306 -1.295 9.100 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.811 -1.501 7.406 1.00 0.00 H new ATOM 0 HG23 VAL A 42 11.362 -0.543 7.792 1.00 0.00 H new ATOM 710 N ALA A 43 9.817 -1.020 5.161 1.00 0.00 N ATOM 711 CA ALA A 43 8.945 0.075 4.768 1.00 0.00 C ATOM 712 C ALA A 43 7.497 -0.362 4.643 1.00 0.00 C ATOM 713 O ALA A 43 6.583 0.416 4.882 1.00 0.00 O ATOM 714 CB ALA A 43 9.422 0.696 3.466 1.00 0.00 C ATOM 0 H ALA A 43 10.610 -1.169 4.537 1.00 0.00 H new ATOM 0 HA ALA A 43 8.993 0.823 5.559 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.757 1.514 3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.434 1.079 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.417 -0.059 2.680 1.00 0.00 H new ATOM 720 N ASP A 44 7.285 -1.612 4.299 1.00 0.00 N ATOM 721 CA ASP A 44 5.933 -2.106 4.112 1.00 0.00 C ATOM 722 C ASP A 44 5.073 -1.938 5.363 1.00 0.00 C ATOM 723 O ASP A 44 3.977 -1.382 5.291 1.00 0.00 O ATOM 724 CB ASP A 44 5.968 -3.580 3.702 1.00 0.00 C ATOM 725 CG ASP A 44 6.608 -4.468 4.751 1.00 0.00 C ATOM 726 OD1 ASP A 44 7.767 -4.201 5.131 1.00 0.00 O ATOM 727 OD2 ASP A 44 5.949 -5.434 5.191 1.00 0.00 O ATOM 0 H ASP A 44 8.020 -2.302 4.144 1.00 0.00 H new ATOM 0 HA ASP A 44 5.478 -1.510 3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.951 -3.924 3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.517 -3.679 2.765 1.00 0.00 H new ATOM 732 N ARG A 45 5.557 -2.413 6.508 1.00 0.00 N ATOM 733 CA ARG A 45 4.769 -2.325 7.738 1.00 0.00 C ATOM 734 C ARG A 45 4.795 -0.952 8.428 1.00 0.00 C ATOM 735 O ARG A 45 3.768 -0.282 8.537 1.00 0.00 O ATOM 736 CB ARG A 45 5.251 -3.385 8.734 1.00 0.00 C ATOM 737 CG ARG A 45 5.919 -4.586 8.082 1.00 0.00 C ATOM 738 CD ARG A 45 6.325 -5.629 9.110 1.00 0.00 C ATOM 739 NE ARG A 45 5.169 -6.211 9.789 1.00 0.00 N ATOM 740 CZ ARG A 45 5.266 -7.056 10.813 1.00 0.00 C ATOM 741 NH1 ARG A 45 6.458 -7.408 11.276 1.00 0.00 N ATOM 742 NH2 ARG A 45 4.170 -7.550 11.372 1.00 0.00 N ATOM 0 H ARG A 45 6.471 -2.854 6.612 1.00 0.00 H new ATOM 0 HA ARG A 45 3.737 -2.493 7.431 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.953 -2.924 9.429 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.401 -3.730 9.322 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.237 -5.034 7.359 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.799 -4.258 7.529 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.892 -6.420 8.619 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.986 -5.173 9.847 1.00 0.00 H new ATOM 0 HE ARG A 45 4.238 -5.956 9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.303 -7.031 10.847 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.529 -8.056 12.061 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.252 -7.283 11.017 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.245 -8.197 12.157 1.00 0.00 H new ATOM 756 N THR A 46 5.980 -0.547 8.889 1.00 0.00 N ATOM 757 CA THR A 46 6.143 0.701 9.650 1.00 0.00 C ATOM 758 C THR A 46 6.291 2.004 8.854 1.00 0.00 C ATOM 759 O THR A 46 5.517 2.943 9.043 1.00 0.00 O ATOM 760 CB THR A 46 7.341 0.591 10.612 1.00 0.00 C ATOM 761 OG1 THR A 46 7.601 1.862 11.219 1.00 0.00 O ATOM 762 CG2 THR A 46 8.587 0.107 9.883 1.00 0.00 C ATOM 0 H THR A 46 6.847 -1.066 8.749 1.00 0.00 H new ATOM 0 HA THR A 46 5.187 0.789 10.166 1.00 0.00 H new ATOM 0 HB THR A 46 7.089 -0.137 11.383 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.363 1.783 11.830 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.417 0.039 10.587 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.397 -0.875 9.450 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.841 0.810 9.090 1.00 0.00 H new ATOM 770 N GLU A 47 7.281 2.059 7.971 1.00 0.00 N ATOM 771 CA GLU A 47 7.607 3.294 7.249 1.00 0.00 C ATOM 772 C GLU A 47 6.568 3.764 6.226 1.00 0.00 C ATOM 773 O GLU A 47 6.032 4.865 6.355 1.00 0.00 O ATOM 774 CB GLU A 47 8.965 3.120 6.571 1.00 0.00 C ATOM 775 CG GLU A 47 10.060 3.980 7.183 1.00 0.00 C ATOM 776 CD GLU A 47 9.736 5.460 7.133 1.00 0.00 C ATOM 777 OE1 GLU A 47 10.069 6.106 6.117 1.00 0.00 O ATOM 778 OE2 GLU A 47 9.150 5.973 8.109 1.00 0.00 O ATOM 0 H GLU A 47 7.875 1.265 7.734 1.00 0.00 H new ATOM 0 HA GLU A 47 7.621 4.082 8.002 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.261 2.072 6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.869 3.365 5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.215 3.681 8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.996 3.799 6.655 1.00 0.00 H new ATOM 785 N LEU A 48 6.280 2.951 5.223 1.00 0.00 N ATOM 786 CA LEU A 48 5.327 3.341 4.181 1.00 0.00 C ATOM 787 C LEU A 48 3.943 3.635 4.739 1.00 0.00 C ATOM 788 O LEU A 48 3.387 4.702 4.494 1.00 0.00 O ATOM 789 CB LEU A 48 5.219 2.258 3.103 1.00 0.00 C ATOM 790 CG LEU A 48 6.396 2.190 2.130 1.00 0.00 C ATOM 791 CD1 LEU A 48 6.217 1.031 1.161 1.00 0.00 C ATOM 792 CD2 LEU A 48 6.541 3.501 1.372 1.00 0.00 C ATOM 0 H LEU A 48 6.685 2.023 5.103 1.00 0.00 H new ATOM 0 HA LEU A 48 5.715 4.259 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.116 1.289 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.306 2.425 2.532 1.00 0.00 H new ATOM 0 HG LEU A 48 7.308 2.024 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.063 0.996 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.163 0.096 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.296 1.169 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.384 3.433 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.629 3.699 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.714 4.313 2.079 1.00 0.00 H new ATOM 804 N ALA A 49 3.402 2.697 5.499 1.00 0.00 N ATOM 805 CA ALA A 49 2.061 2.846 6.057 1.00 0.00 C ATOM 806 C ALA A 49 1.871 4.172 6.793 1.00 0.00 C ATOM 807 O ALA A 49 0.951 4.928 6.489 1.00 0.00 O ATOM 808 CB ALA A 49 1.752 1.682 6.986 1.00 0.00 C ATOM 0 H ALA A 49 3.868 1.824 5.746 1.00 0.00 H new ATOM 0 HA ALA A 49 1.364 2.846 5.219 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.750 1.801 7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.806 0.747 6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.478 1.662 7.799 1.00 0.00 H new ATOM 814 N ASP A 50 2.741 4.452 7.754 1.00 0.00 N ATOM 815 CA ASP A 50 2.645 5.679 8.546 1.00 0.00 C ATOM 816 C ASP A 50 2.942 6.946 7.737 1.00 0.00 C ATOM 817 O ASP A 50 2.350 7.996 7.989 1.00 0.00 O ATOM 818 CB ASP A 50 3.592 5.601 9.745 1.00 0.00 C ATOM 819 CG ASP A 50 3.132 4.595 10.781 1.00 0.00 C ATOM 820 OD1 ASP A 50 3.493 3.406 10.657 1.00 0.00 O ATOM 821 OD2 ASP A 50 2.406 4.995 11.715 1.00 0.00 O ATOM 0 H ASP A 50 3.523 3.848 8.007 1.00 0.00 H new ATOM 0 HA ASP A 50 1.611 5.753 8.882 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.590 5.332 9.399 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.670 6.585 10.208 1.00 0.00 H new ATOM 826 N HIS A 51 3.851 6.851 6.772 1.00 0.00 N ATOM 827 CA HIS A 51 4.246 8.016 5.976 1.00 0.00 C ATOM 828 C HIS A 51 3.183 8.448 4.960 1.00 0.00 C ATOM 829 O HIS A 51 2.722 9.590 4.987 1.00 0.00 O ATOM 830 CB HIS A 51 5.560 7.726 5.248 1.00 0.00 C ATOM 831 CG HIS A 51 6.328 8.958 4.884 1.00 0.00 C ATOM 832 ND1 HIS A 51 5.910 9.874 3.946 1.00 0.00 N ATOM 833 CD2 HIS A 51 7.512 9.421 5.359 1.00 0.00 C ATOM 834 CE1 HIS A 51 6.832 10.845 3.881 1.00 0.00 C ATOM 835 NE2 HIS A 51 7.825 10.617 4.720 1.00 0.00 N ATOM 0 H HIS A 51 4.328 5.985 6.520 1.00 0.00 H new ATOM 0 HA HIS A 51 4.369 8.842 6.676 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.183 7.093 5.879 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.346 7.160 4.341 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.116 8.938 6.113 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.770 11.702 3.227 1.00 0.00 H new ATOM 0 HE2 HIS A 51 8.651 11.197 4.869 1.00 0.00 H new ATOM 843 N LEU A 52 2.802 7.538 4.069 1.00 0.00 N ATOM 844 CA LEU A 52 1.823 7.839 3.020 1.00 0.00 C ATOM 845 C LEU A 52 0.546 8.487 3.562 1.00 0.00 C ATOM 846 O LEU A 52 -0.082 9.289 2.872 1.00 0.00 O ATOM 847 CB LEU A 52 1.490 6.573 2.226 1.00 0.00 C ATOM 848 CG LEU A 52 0.948 5.399 3.046 1.00 0.00 C ATOM 849 CD1 LEU A 52 -0.563 5.490 3.192 1.00 0.00 C ATOM 850 CD2 LEU A 52 1.342 4.080 2.403 1.00 0.00 C ATOM 0 H LEU A 52 3.156 6.581 4.049 1.00 0.00 H new ATOM 0 HA LEU A 52 2.284 8.571 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.756 6.828 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.390 6.245 1.706 1.00 0.00 H new ATOM 0 HG LEU A 52 1.387 5.447 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.923 4.645 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.824 6.420 3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.026 5.471 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.950 3.254 2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.931 4.029 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.429 4.009 2.355 1.00 0.00 H new ATOM 862 N ILE A 53 0.155 8.134 4.783 1.00 0.00 N ATOM 863 CA ILE A 53 -1.055 8.696 5.385 1.00 0.00 C ATOM 864 C ILE A 53 -1.048 10.223 5.350 1.00 0.00 C ATOM 865 O ILE A 53 -2.040 10.850 4.983 1.00 0.00 O ATOM 866 CB ILE A 53 -1.226 8.234 6.846 1.00 0.00 C ATOM 867 CG1 ILE A 53 -1.478 6.727 6.899 1.00 0.00 C ATOM 868 CG2 ILE A 53 -2.365 8.989 7.520 1.00 0.00 C ATOM 869 CD1 ILE A 53 -1.432 6.158 8.300 1.00 0.00 C ATOM 0 H ILE A 53 0.652 7.467 5.373 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.891 8.329 4.789 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.305 8.453 7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.453 6.514 6.460 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.734 6.220 6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.468 8.648 8.550 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.149 10.057 7.512 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.294 8.803 6.981 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.619 5.085 8.263 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.449 6.340 8.735 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.195 6.638 8.913 1.00 0.00 H new ATOM 881 N GLN A 54 0.076 10.813 5.735 1.00 0.00 N ATOM 882 CA GLN A 54 0.212 12.265 5.766 1.00 0.00 C ATOM 883 C GLN A 54 -0.030 12.886 4.390 1.00 0.00 C ATOM 884 O GLN A 54 -0.445 14.040 4.289 1.00 0.00 O ATOM 885 CB GLN A 54 1.604 12.651 6.270 1.00 0.00 C ATOM 886 CG GLN A 54 1.752 14.133 6.575 1.00 0.00 C ATOM 887 CD GLN A 54 0.843 14.590 7.700 1.00 0.00 C ATOM 888 OE1 GLN A 54 1.219 14.552 8.871 1.00 0.00 O ATOM 889 NE2 GLN A 54 -0.363 15.024 7.349 1.00 0.00 N ATOM 0 H GLN A 54 0.910 10.307 6.031 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.546 12.653 6.447 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.826 12.079 7.171 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.344 12.367 5.522 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.788 14.344 6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.530 14.709 5.677 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.634 15.038 6.366 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.018 15.343 8.063 1.00 0.00 H new ATOM 898 N SER A 55 0.231 12.119 3.334 1.00 0.00 N ATOM 899 CA SER A 55 0.059 12.616 1.970 1.00 0.00 C ATOM 900 C SER A 55 -1.394 12.988 1.672 1.00 0.00 C ATOM 901 O SER A 55 -1.683 14.134 1.325 1.00 0.00 O ATOM 902 CB SER A 55 0.538 11.571 0.961 1.00 0.00 C ATOM 903 OG SER A 55 0.399 12.045 -0.368 1.00 0.00 O ATOM 0 H SER A 55 0.561 11.156 3.395 1.00 0.00 H new ATOM 0 HA SER A 55 0.661 13.520 1.879 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.582 11.325 1.155 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.035 10.652 1.085 1.00 0.00 H new ATOM 0 HG SER A 55 0.713 11.360 -0.994 1.00 0.00 H new ATOM 909 N ALA A 56 -2.303 12.025 1.805 1.00 0.00 N ATOM 910 CA ALA A 56 -3.717 12.275 1.533 1.00 0.00 C ATOM 911 C ALA A 56 -4.601 11.928 2.727 1.00 0.00 C ATOM 912 O ALA A 56 -5.602 12.597 2.986 1.00 0.00 O ATOM 913 CB ALA A 56 -4.159 11.491 0.306 1.00 0.00 C ATOM 0 H ALA A 56 -2.089 11.071 2.097 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.831 13.342 1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.214 11.684 0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.568 11.801 -0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.012 10.426 0.482 1.00 0.00 H new ATOM 919 N GLY A 57 -4.227 10.880 3.451 1.00 0.00 N ATOM 920 CA GLY A 57 -5.002 10.456 4.605 1.00 0.00 C ATOM 921 C GLY A 57 -4.867 8.971 4.871 1.00 0.00 C ATOM 922 O GLY A 57 -4.135 8.275 4.168 1.00 0.00 O ATOM 0 H GLY A 57 -3.400 10.314 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.675 11.012 5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.052 10.701 4.445 1.00 0.00 H new ATOM 926 N ALA A 58 -5.567 8.480 5.888 1.00 0.00 N ATOM 927 CA ALA A 58 -5.511 7.065 6.235 1.00 0.00 C ATOM 928 C ALA A 58 -6.233 6.206 5.201 1.00 0.00 C ATOM 929 O ALA A 58 -5.603 5.464 4.451 1.00 0.00 O ATOM 930 CB ALA A 58 -6.106 6.838 7.617 1.00 0.00 C ATOM 0 H ALA A 58 -6.178 9.039 6.484 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.463 6.765 6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.058 5.777 7.864 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.541 7.408 8.354 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.146 7.166 7.624 1.00 0.00 H new ATOM 936 N ALA A 59 -7.557 6.317 5.165 1.00 0.00 N ATOM 937 CA ALA A 59 -8.368 5.542 4.230 1.00 0.00 C ATOM 938 C ALA A 59 -8.141 5.972 2.783 1.00 0.00 C ATOM 939 O ALA A 59 -8.146 5.143 1.873 1.00 0.00 O ATOM 940 CB ALA A 59 -9.841 5.666 4.589 1.00 0.00 C ATOM 0 H ALA A 59 -8.093 6.937 5.773 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.060 4.500 4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.437 5.084 3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.002 5.290 5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.141 6.713 4.540 1.00 0.00 H new ATOM 946 N SER A 60 -7.940 7.268 2.577 1.00 0.00 N ATOM 947 CA SER A 60 -7.729 7.809 1.237 1.00 0.00 C ATOM 948 C SER A 60 -6.479 7.230 0.579 1.00 0.00 C ATOM 949 O SER A 60 -6.547 6.669 -0.515 1.00 0.00 O ATOM 950 CB SER A 60 -7.624 9.334 1.293 1.00 0.00 C ATOM 951 OG SER A 60 -8.807 9.908 1.818 1.00 0.00 O ATOM 0 H SER A 60 -7.918 7.966 3.321 1.00 0.00 H new ATOM 0 HA SER A 60 -8.589 7.523 0.631 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.772 9.620 1.910 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.439 9.726 0.293 1.00 0.00 H new ATOM 0 HG SER A 60 -8.713 10.883 1.845 1.00 0.00 H new ATOM 957 N ALA A 61 -5.341 7.373 1.249 1.00 0.00 N ATOM 958 CA ALA A 61 -4.072 6.880 0.722 1.00 0.00 C ATOM 959 C ALA A 61 -4.098 5.372 0.478 1.00 0.00 C ATOM 960 O ALA A 61 -3.617 4.897 -0.549 1.00 0.00 O ATOM 961 CB ALA A 61 -2.938 7.244 1.664 1.00 0.00 C ATOM 0 H ALA A 61 -5.270 7.827 2.160 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.908 7.361 -0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.996 6.871 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.885 8.328 1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.118 6.795 2.641 1.00 0.00 H new ATOM 967 N VAL A 62 -4.655 4.623 1.425 1.00 0.00 N ATOM 968 CA VAL A 62 -4.730 3.170 1.302 1.00 0.00 C ATOM 969 C VAL A 62 -5.570 2.756 0.095 1.00 0.00 C ATOM 970 O VAL A 62 -5.320 1.718 -0.518 1.00 0.00 O ATOM 971 CB VAL A 62 -5.314 2.528 2.580 1.00 0.00 C ATOM 972 CG1 VAL A 62 -5.476 1.022 2.415 1.00 0.00 C ATOM 973 CG2 VAL A 62 -4.430 2.839 3.775 1.00 0.00 C ATOM 0 H VAL A 62 -5.060 4.996 2.284 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.711 2.811 1.161 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.302 2.954 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.889 0.598 3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.151 0.818 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.504 0.572 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.853 2.381 4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.430 2.441 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.372 3.919 3.913 1.00 0.00 H new ATOM 983 N THR A 63 -6.561 3.575 -0.245 1.00 0.00 N ATOM 984 CA THR A 63 -7.434 3.285 -1.377 1.00 0.00 C ATOM 985 C THR A 63 -6.738 3.571 -2.706 1.00 0.00 C ATOM 986 O THR A 63 -6.733 2.730 -3.604 1.00 0.00 O ATOM 987 CB THR A 63 -8.740 4.103 -1.305 1.00 0.00 C ATOM 988 OG1 THR A 63 -9.423 3.828 -0.077 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.652 3.773 -2.479 1.00 0.00 C ATOM 0 H THR A 63 -6.779 4.442 0.246 1.00 0.00 H new ATOM 0 HA THR A 63 -7.675 2.223 -1.322 1.00 0.00 H new ATOM 0 HB THR A 63 -8.482 5.161 -1.350 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.090 4.427 0.624 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.566 4.362 -2.406 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.142 4.008 -3.413 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.901 2.712 -2.459 1.00 0.00 H new ATOM 997 N LYS A 64 -6.152 4.759 -2.824 1.00 0.00 N ATOM 998 CA LYS A 64 -5.458 5.149 -4.048 1.00 0.00 C ATOM 999 C LYS A 64 -4.235 4.271 -4.289 1.00 0.00 C ATOM 1000 O LYS A 64 -3.871 4.000 -5.433 1.00 0.00 O ATOM 1001 CB LYS A 64 -5.034 6.617 -3.979 1.00 0.00 C ATOM 1002 CG LYS A 64 -4.058 6.919 -2.854 1.00 0.00 C ATOM 1003 CD LYS A 64 -3.218 8.144 -3.169 1.00 0.00 C ATOM 1004 CE LYS A 64 -2.256 8.470 -2.039 1.00 0.00 C ATOM 1005 NZ LYS A 64 -1.324 7.342 -1.761 1.00 0.00 N ATOM 0 H LYS A 64 -6.144 5.467 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.150 5.015 -4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.579 6.900 -4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.922 7.237 -3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.607 7.080 -1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.407 6.060 -2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.656 7.974 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.872 8.998 -3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.682 9.360 -2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.821 8.705 -1.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.570 7.664 -1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.847 6.561 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.903 7.012 -2.653 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.603 3.834 -3.203 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.420 2.986 -3.292 1.00 0.00 C ATOM 1021 C ALA A 65 -2.700 1.749 -4.135 1.00 0.00 C ATOM 1022 O ALA A 65 -1.809 1.219 -4.798 1.00 0.00 O ATOM 1023 CB ALA A 65 -1.952 2.586 -1.901 1.00 0.00 C ATOM 0 H ALA A 65 -3.892 4.054 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.628 3.555 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.068 1.953 -1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.706 3.480 -1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.746 2.037 -1.394 1.00 0.00 H new ATOM 1029 N ILE A 66 -3.947 1.296 -4.097 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.360 0.120 -4.854 1.00 0.00 C ATOM 1031 C ILE A 66 -4.313 0.393 -6.355 1.00 0.00 C ATOM 1032 O ILE A 66 -3.880 -0.455 -7.132 1.00 0.00 O ATOM 1033 CB ILE A 66 -5.785 -0.332 -4.459 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -5.791 -0.904 -3.036 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.328 -1.352 -5.452 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -5.078 -2.235 -2.907 1.00 0.00 C ATOM 0 H ILE A 66 -4.692 1.726 -3.549 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.659 -0.679 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.438 0.541 -4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.322 -0.185 -2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.823 -1.022 -2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.331 -1.654 -5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.365 -0.907 -6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.676 -2.226 -5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.125 -2.574 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.560 -2.970 -3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.036 -2.120 -3.204 1.00 0.00 H new ATOM 1048 N ASN A 67 -4.755 1.583 -6.750 1.00 0.00 N ATOM 1049 CA ASN A 67 -4.777 1.972 -8.159 1.00 0.00 C ATOM 1050 C ASN A 67 -3.366 2.057 -8.742 1.00 0.00 C ATOM 1051 O ASN A 67 -3.123 1.616 -9.865 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.483 3.321 -8.315 1.00 0.00 C ATOM 1053 CG ASN A 67 -5.806 3.649 -9.761 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -5.099 3.235 -10.680 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -6.880 4.403 -9.969 1.00 0.00 N ATOM 0 H ASN A 67 -5.104 2.298 -6.112 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.322 1.205 -8.709 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.405 3.313 -7.734 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.852 4.107 -7.901 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.146 4.660 -10.919 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.438 4.725 -9.178 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.442 2.624 -7.974 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.060 2.779 -8.424 1.00 0.00 C ATOM 1064 C ILE A 68 -0.326 1.441 -8.480 1.00 0.00 C ATOM 1065 O ILE A 68 0.393 1.160 -9.438 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.275 3.737 -7.502 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -0.972 5.099 -7.436 1.00 0.00 C ATOM 1068 CG2 ILE A 68 1.162 3.890 -7.990 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.382 6.035 -6.402 1.00 0.00 C ATOM 0 H ILE A 68 -2.623 2.984 -7.037 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.110 3.198 -9.429 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.250 3.313 -6.498 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.917 5.573 -8.416 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.028 4.946 -7.214 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.701 4.569 -7.329 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.652 2.917 -7.989 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.161 4.294 -9.002 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.927 6.979 -6.413 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.461 5.582 -5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.667 6.219 -6.634 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.513 0.621 -7.453 1.00 0.00 N ATOM 1082 CA PHE A 69 0.152 -0.678 -7.370 1.00 0.00 C ATOM 1083 C PHE A 69 -0.400 -1.684 -8.380 1.00 0.00 C ATOM 1084 O PHE A 69 0.359 -2.441 -8.985 1.00 0.00 O ATOM 1085 CB PHE A 69 0.015 -1.250 -5.958 1.00 0.00 C ATOM 1086 CG PHE A 69 0.676 -2.589 -5.786 1.00 0.00 C ATOM 1087 CD1 PHE A 69 2.050 -2.721 -5.911 1.00 0.00 C ATOM 1088 CD2 PHE A 69 -0.078 -3.716 -5.501 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.659 -3.951 -5.757 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.525 -4.949 -5.346 1.00 0.00 C ATOM 1091 CZ PHE A 69 1.895 -5.067 -5.474 1.00 0.00 C ATOM 0 H PHE A 69 -1.122 0.832 -6.662 1.00 0.00 H new ATOM 0 HA PHE A 69 1.203 -0.512 -7.609 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.447 -0.547 -5.246 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.043 -1.342 -5.713 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.652 -1.852 -6.131 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.150 -3.629 -5.399 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.731 -4.040 -5.858 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.074 -5.820 -5.125 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.369 -6.030 -5.353 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.714 -1.693 -8.557 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.354 -2.636 -9.469 1.00 0.00 C ATOM 1103 C GLN A 70 -1.910 -2.432 -10.918 1.00 0.00 C ATOM 1104 O GLN A 70 -1.373 -3.343 -11.546 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.884 -2.537 -9.352 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.483 -1.238 -9.871 1.00 0.00 C ATOM 1107 CD GLN A 70 -5.985 -1.171 -9.672 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.466 -0.694 -8.644 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.733 -1.655 -10.655 1.00 0.00 N ATOM 0 H GLN A 70 -2.358 -1.060 -8.083 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.038 -3.637 -9.176 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.330 -3.369 -9.897 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.162 -2.656 -8.305 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.014 -0.396 -9.361 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.255 -1.135 -10.932 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.291 -2.041 -11.489 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.750 -1.641 -10.576 1.00 0.00 H new ATOM 1118 N LYS A 71 -2.110 -1.231 -11.431 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.770 -0.914 -12.811 1.00 0.00 C ATOM 1120 C LYS A 71 -0.265 -0.968 -13.065 1.00 0.00 C ATOM 1121 O LYS A 71 0.174 -0.873 -14.211 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.312 0.472 -13.165 1.00 0.00 C ATOM 1123 CG LYS A 71 -2.214 0.813 -14.641 1.00 0.00 C ATOM 1124 CD LYS A 71 -2.905 2.130 -14.948 1.00 0.00 C ATOM 1125 CE LYS A 71 -2.823 2.471 -16.425 1.00 0.00 C ATOM 1126 NZ LYS A 71 -3.562 3.723 -16.748 1.00 0.00 N ATOM 0 H LYS A 71 -2.510 -0.451 -10.909 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.230 -1.670 -13.447 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.356 0.533 -12.857 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.766 1.222 -12.592 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.166 0.872 -14.934 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.666 0.016 -15.232 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.950 2.073 -14.644 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.446 2.928 -14.363 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.778 2.581 -16.715 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.231 1.647 -17.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.482 3.921 -17.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.564 3.609 -16.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.157 4.514 -16.208 1.00 0.00 H new ATOM 1140 N LEU A 72 0.530 -1.127 -12.009 1.00 0.00 N ATOM 1141 CA LEU A 72 1.982 -1.137 -12.175 1.00 0.00 C ATOM 1142 C LEU A 72 2.616 -2.526 -12.149 1.00 0.00 C ATOM 1143 O LEU A 72 3.512 -2.806 -12.945 1.00 0.00 O ATOM 1144 CB LEU A 72 2.603 -0.329 -11.044 1.00 0.00 C ATOM 1145 CG LEU A 72 3.159 1.041 -11.428 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.334 0.893 -12.384 1.00 0.00 C ATOM 1147 CD2 LEU A 72 2.074 1.912 -12.044 1.00 0.00 C ATOM 0 H LEU A 72 0.204 -1.248 -11.050 1.00 0.00 H new ATOM 0 HA LEU A 72 2.175 -0.717 -13.162 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.851 -0.189 -10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.409 -0.916 -10.604 1.00 0.00 H new ATOM 0 HG LEU A 72 3.513 1.530 -10.521 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.716 1.880 -12.646 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.123 0.314 -11.904 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.005 0.380 -13.288 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.493 2.882 -12.309 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.684 1.428 -12.939 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.266 2.050 -11.325 1.00 0.00 H new ATOM 1159 N ASN A 73 2.169 -3.396 -11.251 1.00 0.00 N ATOM 1160 CA ASN A 73 2.774 -4.726 -11.160 1.00 0.00 C ATOM 1161 C ASN A 73 1.789 -5.888 -11.272 1.00 0.00 C ATOM 1162 O ASN A 73 1.989 -6.803 -12.071 1.00 0.00 O ATOM 1163 CB ASN A 73 3.550 -4.847 -9.848 1.00 0.00 C ATOM 1164 CG ASN A 73 4.578 -3.745 -9.679 1.00 0.00 C ATOM 1165 OD1 ASN A 73 4.292 -2.696 -9.101 1.00 0.00 O ATOM 1166 ND2 ASN A 73 5.783 -3.976 -10.187 1.00 0.00 N ATOM 0 H ASN A 73 1.412 -3.216 -10.591 1.00 0.00 H new ATOM 0 HA ASN A 73 3.433 -4.808 -12.024 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.851 -4.819 -9.012 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.050 -5.815 -9.813 1.00 0.00 H new ATOM 0 HD21 ASN A 73 6.515 -3.270 -10.106 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.977 -4.860 -10.658 1.00 0.00 H new ATOM 1173 N TYR A 74 0.728 -5.852 -10.472 1.00 0.00 N ATOM 1174 CA TYR A 74 -0.235 -6.958 -10.435 1.00 0.00 C ATOM 1175 C TYR A 74 -1.687 -6.488 -10.395 1.00 0.00 C ATOM 1176 O TYR A 74 -2.390 -6.715 -9.411 1.00 0.00 O ATOM 1177 CB TYR A 74 0.055 -7.864 -9.237 1.00 0.00 C ATOM 1178 CG TYR A 74 1.416 -8.523 -9.297 1.00 0.00 C ATOM 1179 CD1 TYR A 74 1.590 -9.746 -9.933 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.527 -7.921 -8.722 1.00 0.00 C ATOM 1181 CE1 TYR A 74 2.832 -10.350 -9.994 1.00 0.00 C ATOM 1182 CE2 TYR A 74 3.772 -8.518 -8.779 1.00 0.00 C ATOM 1183 CZ TYR A 74 3.919 -9.731 -9.416 1.00 0.00 C ATOM 1184 OH TYR A 74 5.157 -10.329 -9.473 1.00 0.00 O ATOM 0 H TYR A 74 0.510 -5.078 -9.844 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.111 -7.514 -11.364 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.016 -7.277 -8.321 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.712 -8.636 -9.181 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.740 -10.233 -10.388 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.416 -6.970 -8.222 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.950 -11.301 -10.492 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.626 -8.036 -8.326 1.00 0.00 H new ATOM 0 HH TYR A 74 5.815 -9.762 -9.019 1.00 0.00 H new ATOM 1194 N MET A 75 -2.127 -5.823 -11.456 1.00 0.00 N ATOM 1195 CA MET A 75 -3.494 -5.316 -11.526 1.00 0.00 C ATOM 1196 C MET A 75 -4.521 -6.397 -11.190 1.00 0.00 C ATOM 1197 O MET A 75 -5.631 -6.088 -10.756 1.00 0.00 O ATOM 1198 CB MET A 75 -3.775 -4.755 -12.922 1.00 0.00 C ATOM 1199 CG MET A 75 -3.679 -5.796 -14.027 1.00 0.00 C ATOM 1200 SD MET A 75 -4.102 -5.130 -15.648 1.00 0.00 S ATOM 1201 CE MET A 75 -3.917 -6.590 -16.670 1.00 0.00 C ATOM 0 H MET A 75 -1.559 -5.622 -12.279 1.00 0.00 H new ATOM 0 HA MET A 75 -3.587 -4.523 -10.784 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.772 -4.316 -12.934 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.070 -3.950 -13.130 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.666 -6.197 -14.056 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.344 -6.628 -13.796 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.145 -6.340 -17.706 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.892 -6.954 -16.602 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.601 -7.365 -16.325 1.00 0.00 H new ATOM 1211 N HIS A 76 -4.153 -7.660 -11.388 1.00 0.00 N ATOM 1212 CA HIS A 76 -5.063 -8.765 -11.097 1.00 0.00 C ATOM 1213 C HIS A 76 -5.066 -9.115 -9.606 1.00 0.00 C ATOM 1214 O HIS A 76 -6.098 -9.504 -9.059 1.00 0.00 O ATOM 1215 CB HIS A 76 -4.706 -9.994 -11.938 1.00 0.00 C ATOM 1216 CG HIS A 76 -3.346 -10.555 -11.661 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -2.211 -10.191 -12.351 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -2.952 -11.484 -10.754 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -1.186 -10.897 -11.855 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -1.583 -11.697 -10.883 1.00 0.00 N ATOM 0 H HIS A 76 -3.240 -7.943 -11.745 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.069 -8.441 -11.362 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.450 -10.770 -11.760 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -4.769 -9.729 -12.993 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.598 -11.979 -10.045 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -0.167 -10.821 -12.205 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.006 -12.338 -10.339 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.913 -8.978 -8.953 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.801 -9.285 -7.526 1.00 0.00 C ATOM 1230 C ILE A 77 -4.536 -8.249 -6.678 1.00 0.00 C ATOM 1231 O ILE A 77 -5.338 -8.598 -5.813 1.00 0.00 O ATOM 1232 CB ILE A 77 -2.325 -9.349 -7.069 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -1.655 -10.617 -7.610 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -2.226 -9.295 -5.546 1.00 0.00 C ATOM 1235 CD1 ILE A 77 -0.217 -10.787 -7.165 1.00 0.00 C ATOM 0 H ILE A 77 -3.047 -8.658 -9.386 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.259 -10.263 -7.383 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.802 -8.482 -7.472 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.230 -11.486 -7.289 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.688 -10.598 -8.699 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.179 -9.341 -5.248 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.665 -8.365 -5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.764 -10.140 -5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.188 -11.706 -7.588 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.373 -9.938 -7.509 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.177 -10.840 -6.077 1.00 0.00 H new ATOM 1247 N ALA A 78 -4.254 -6.977 -6.935 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.874 -5.887 -6.193 1.00 0.00 C ATOM 1249 C ALA A 78 -6.396 -5.938 -6.288 1.00 0.00 C ATOM 1250 O ALA A 78 -7.094 -5.511 -5.371 1.00 0.00 O ATOM 1251 CB ALA A 78 -4.353 -4.547 -6.686 1.00 0.00 C ATOM 0 H ALA A 78 -3.597 -6.675 -7.655 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.605 -6.004 -5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.826 -3.743 -6.122 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.273 -4.503 -6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.586 -4.433 -7.745 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.902 -6.454 -7.405 1.00 0.00 N ATOM 1258 CA ASN A 79 -8.344 -6.555 -7.617 1.00 0.00 C ATOM 1259 C ASN A 79 -9.025 -7.265 -6.448 1.00 0.00 C ATOM 1260 O ASN A 79 -10.103 -6.865 -6.010 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.640 -7.301 -8.919 1.00 0.00 C ATOM 1262 CG ASN A 79 -10.126 -7.493 -9.149 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -10.705 -8.500 -8.741 1.00 0.00 O ATOM 1264 ND2 ASN A 79 -10.753 -6.523 -9.804 1.00 0.00 N ATOM 0 H ASN A 79 -6.336 -6.808 -8.176 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.743 -5.543 -7.685 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -8.214 -6.748 -9.756 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.150 -8.274 -8.897 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.754 -6.595 -9.987 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.234 -5.706 -10.124 1.00 0.00 H new ATOM 1271 N ALA A 80 -8.400 -8.328 -5.960 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.946 -9.087 -4.840 1.00 0.00 C ATOM 1273 C ALA A 80 -8.811 -8.320 -3.527 1.00 0.00 C ATOM 1274 O ALA A 80 -9.652 -8.441 -2.637 1.00 0.00 O ATOM 1275 CB ALA A 80 -8.258 -10.440 -4.736 1.00 0.00 C ATOM 0 H ALA A 80 -7.515 -8.685 -6.321 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.009 -9.242 -5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.675 -10.996 -3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.417 -11.001 -5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.189 -10.294 -4.580 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.745 -7.532 -3.415 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.486 -6.755 -2.205 1.00 0.00 C ATOM 1283 C LEU A 81 -8.483 -5.609 -2.044 1.00 0.00 C ATOM 1284 O LEU A 81 -9.022 -5.395 -0.957 1.00 0.00 O ATOM 1285 CB LEU A 81 -6.060 -6.199 -2.230 1.00 0.00 C ATOM 1286 CG LEU A 81 -4.956 -7.239 -2.441 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -3.599 -6.560 -2.544 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -4.954 -8.259 -1.311 1.00 0.00 C ATOM 0 H LEU A 81 -7.046 -7.414 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.603 -7.425 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.992 -5.455 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.873 -5.681 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.155 -7.763 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.826 -7.313 -2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.601 -5.869 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.397 -6.010 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.162 -8.988 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.782 -7.751 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.917 -8.769 -1.280 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.725 -4.874 -3.127 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.651 -3.744 -3.095 1.00 0.00 C ATOM 1302 C GLU A 82 -11.044 -4.188 -2.656 1.00 0.00 C ATOM 1303 O GLU A 82 -11.815 -3.396 -2.116 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.727 -3.072 -4.467 1.00 0.00 C ATOM 1305 CG GLU A 82 -10.365 -3.940 -5.538 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.554 -3.206 -6.851 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -11.619 -2.578 -7.032 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -9.639 -3.260 -7.699 1.00 0.00 O ATOM 0 H GLU A 82 -8.294 -5.040 -4.036 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.273 -3.025 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.294 -2.146 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.720 -2.800 -4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.743 -4.820 -5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.332 -4.296 -5.183 1.00 0.00 H new ATOM 1315 N GLU A 83 -11.362 -5.457 -2.897 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.663 -6.006 -2.526 1.00 0.00 C ATOM 1317 C GLU A 83 -12.897 -5.883 -1.022 1.00 0.00 C ATOM 1318 O GLU A 83 -14.028 -5.697 -0.572 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.757 -7.472 -2.957 1.00 0.00 C ATOM 1320 CG GLU A 83 -14.064 -8.143 -2.563 1.00 0.00 C ATOM 1321 CD GLU A 83 -14.103 -9.610 -2.944 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -13.588 -10.439 -2.165 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -14.650 -9.930 -4.021 1.00 0.00 O ATOM 0 H GLU A 83 -10.736 -6.125 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.436 -5.434 -3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.640 -7.531 -4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.928 -8.025 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.208 -8.047 -1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.894 -7.624 -3.043 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.817 -5.992 -0.254 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.889 -5.897 1.200 1.00 0.00 C ATOM 1332 C LYS A 84 -12.431 -4.539 1.642 1.00 0.00 C ATOM 1333 O LYS A 84 -13.041 -4.423 2.706 1.00 0.00 O ATOM 1334 CB LYS A 84 -10.508 -6.130 1.815 1.00 0.00 C ATOM 1335 CG LYS A 84 -10.531 -6.276 3.331 1.00 0.00 C ATOM 1336 CD LYS A 84 -11.354 -7.478 3.770 1.00 0.00 C ATOM 1337 CE LYS A 84 -10.738 -8.784 3.290 1.00 0.00 C ATOM 1338 NZ LYS A 84 -11.585 -9.958 3.637 1.00 0.00 N ATOM 0 H LYS A 84 -10.877 -6.147 -0.617 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.575 -6.668 1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.072 -7.029 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.856 -5.298 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.511 -6.379 3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.943 -5.371 3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.431 -7.489 4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.368 -7.388 3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.598 -8.744 2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.750 -8.905 3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.131 -10.828 3.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.698 -10.012 4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.519 -9.856 3.192 1.00 0.00 H new ATOM 1352 N LYS A 85 -12.197 -3.517 0.823 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.649 -2.162 1.131 1.00 0.00 C ATOM 1354 C LYS A 85 -14.132 -2.140 1.492 1.00 0.00 C ATOM 1355 O LYS A 85 -14.561 -1.353 2.338 1.00 0.00 O ATOM 1356 CB LYS A 85 -12.389 -1.235 -0.060 1.00 0.00 C ATOM 1357 CG LYS A 85 -12.927 0.177 0.127 1.00 0.00 C ATOM 1358 CD LYS A 85 -12.285 0.872 1.317 1.00 0.00 C ATOM 1359 CE LYS A 85 -12.791 2.297 1.465 1.00 0.00 C ATOM 1360 NZ LYS A 85 -12.173 2.991 2.629 1.00 0.00 N ATOM 0 H LYS A 85 -11.696 -3.601 -0.061 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.084 -1.809 1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.315 -1.183 -0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.841 -1.670 -0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.743 0.759 -0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -14.007 0.139 0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.500 0.312 2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.202 0.880 1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.575 2.855 0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.875 2.286 1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.546 3.960 2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.400 2.474 3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.141 3.025 2.505 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.913 -3.000 0.846 1.00 0.00 N ATOM 1375 CA LYS A 86 -16.346 -3.075 1.109 1.00 0.00 C ATOM 1376 C LYS A 86 -16.604 -3.372 2.583 1.00 0.00 C ATOM 1377 O LYS A 86 -17.502 -2.793 3.196 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.993 -4.153 0.238 1.00 0.00 C ATOM 1379 CG LYS A 86 -16.803 -3.924 -1.251 1.00 0.00 C ATOM 1380 CD LYS A 86 -17.621 -4.903 -2.082 1.00 0.00 C ATOM 1381 CE LYS A 86 -16.985 -6.285 -2.122 1.00 0.00 C ATOM 1382 NZ LYS A 86 -17.042 -6.972 -0.800 1.00 0.00 N ATOM 0 H LYS A 86 -14.579 -3.654 0.138 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.790 -2.110 0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.575 -5.124 0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.060 -4.195 0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -17.093 -2.904 -1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.747 -4.027 -1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.627 -4.978 -1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.722 -4.521 -3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.494 -6.895 -2.868 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.946 -6.195 -2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.160 -7.995 -0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.160 -6.796 -0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.847 -6.605 -0.253 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.810 -4.277 3.144 1.00 0.00 N ATOM 1397 CA GLU A 87 -15.944 -4.652 4.547 1.00 0.00 C ATOM 1398 C GLU A 87 -15.345 -3.581 5.453 1.00 0.00 C ATOM 1399 O GLU A 87 -15.777 -3.403 6.591 1.00 0.00 O ATOM 1400 CB GLU A 87 -15.263 -5.999 4.804 1.00 0.00 C ATOM 1401 CG GLU A 87 -15.441 -6.510 6.224 1.00 0.00 C ATOM 1402 CD GLU A 87 -14.829 -7.882 6.431 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -13.617 -7.954 6.725 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -15.561 -8.886 6.299 1.00 0.00 O ATOM 0 H GLU A 87 -15.065 -4.766 2.647 1.00 0.00 H new ATOM 0 HA GLU A 87 -17.006 -4.743 4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.663 -6.737 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.198 -5.905 4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.986 -5.805 6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.504 -6.551 6.461 1.00 0.00 H new ATOM 1411 N ALA A 88 -14.345 -2.874 4.939 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.682 -1.818 5.697 1.00 0.00 C ATOM 1413 C ALA A 88 -14.669 -0.738 6.127 1.00 0.00 C ATOM 1414 O ALA A 88 -14.473 -0.078 7.148 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.558 -1.209 4.873 1.00 0.00 C ATOM 0 H ALA A 88 -13.975 -3.013 3.999 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.262 -2.264 6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.070 -0.422 5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.830 -1.981 4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.967 -0.787 3.955 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.727 -0.560 5.340 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.746 0.446 5.632 1.00 0.00 C ATOM 1423 C GLU A 89 -17.266 0.320 7.062 1.00 0.00 C ATOM 1424 O GLU A 89 -17.232 1.283 7.829 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.908 0.328 4.644 1.00 0.00 C ATOM 1426 CG GLU A 89 -17.519 0.633 3.206 1.00 0.00 C ATOM 1427 CD GLU A 89 -18.694 0.533 2.255 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -19.406 1.545 2.084 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -18.903 -0.557 1.681 1.00 0.00 O ATOM 0 H GLU A 89 -15.902 -1.101 4.493 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.280 1.426 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.316 -0.682 4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.703 1.009 4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.096 1.636 3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.739 -0.059 2.889 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.748 -0.868 7.417 1.00 0.00 N ATOM 1437 CA ARG A 90 -18.277 -1.105 8.757 1.00 0.00 C ATOM 1438 C ARG A 90 -17.162 -1.075 9.800 1.00 0.00 C ATOM 1439 O ARG A 90 -17.424 -0.960 10.997 1.00 0.00 O ATOM 1440 CB ARG A 90 -19.013 -2.446 8.816 1.00 0.00 C ATOM 1441 CG ARG A 90 -18.136 -3.643 8.486 1.00 0.00 C ATOM 1442 CD ARG A 90 -18.918 -4.944 8.566 1.00 0.00 C ATOM 1443 NE ARG A 90 -19.994 -4.997 7.579 1.00 0.00 N ATOM 1444 CZ ARG A 90 -20.953 -5.920 7.579 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -20.967 -6.868 8.505 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -21.899 -5.894 6.649 1.00 0.00 N ATOM 0 H ARG A 90 -17.783 -1.678 6.799 1.00 0.00 H new ATOM 0 HA ARG A 90 -18.982 -0.305 8.983 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -19.430 -2.577 9.815 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -19.852 -2.420 8.121 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.722 -3.527 7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -17.294 -3.680 9.177 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -18.241 -5.784 8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -19.337 -5.054 9.566 1.00 0.00 H new ATOM 0 HE ARG A 90 -20.011 -4.286 6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -20.241 -6.892 9.221 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -21.704 -7.573 8.502 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -21.891 -5.167 5.934 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -22.634 -6.601 6.649 1.00 0.00 H new ATOM 1460 N LYS A 91 -15.920 -1.176 9.337 1.00 0.00 N ATOM 1461 CA LYS A 91 -14.768 -1.156 10.231 1.00 0.00 C ATOM 1462 C LYS A 91 -14.373 0.277 10.576 1.00 0.00 C ATOM 1463 O LYS A 91 -13.722 0.523 11.592 1.00 0.00 O ATOM 1464 CB LYS A 91 -13.584 -1.884 9.590 1.00 0.00 C ATOM 1465 CG LYS A 91 -13.817 -3.376 9.404 1.00 0.00 C ATOM 1466 CD LYS A 91 -12.662 -4.039 8.666 1.00 0.00 C ATOM 1467 CE LYS A 91 -11.359 -3.926 9.442 1.00 0.00 C ATOM 1468 NZ LYS A 91 -11.469 -4.516 10.805 1.00 0.00 N ATOM 0 H LYS A 91 -15.686 -1.272 8.349 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.045 -1.670 11.152 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.373 -1.434 8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.699 -1.737 10.209 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.945 -3.848 10.378 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.742 -3.533 8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.894 -5.090 8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.543 -3.577 7.686 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.564 -4.430 8.892 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.075 -2.877 9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.519 -4.620 11.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.041 -3.891 11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.923 -5.449 10.744 1.00 0.00 H new ATOM 1482 N LEU A 92 -14.774 1.217 9.727 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.463 2.626 9.941 1.00 0.00 C ATOM 1484 C LEU A 92 -15.550 3.306 10.766 1.00 0.00 C ATOM 1485 O LEU A 92 -15.270 4.210 11.554 1.00 0.00 O ATOM 1486 CB LEU A 92 -14.298 3.346 8.598 1.00 0.00 C ATOM 1487 CG LEU A 92 -13.168 2.823 7.710 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -13.144 3.567 6.384 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -11.825 2.951 8.417 1.00 0.00 C ATOM 0 H LEU A 92 -15.316 1.029 8.883 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.525 2.684 10.493 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -15.235 3.271 8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.126 4.405 8.791 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.351 1.767 7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.334 3.182 5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.094 3.423 5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.987 4.630 6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.035 2.573 7.768 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.634 3.999 8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.843 2.372 9.341 1.00 0.00 H new