USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 923 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 92 TYR OH : rot 0:sc= 0.72 USER MOD Set 1.2: A 100 SER OG : rot 165:sc= 0.71 USER MOD Set 2.1: A 75 HIS : no HD1:sc= -9.66! C(o=-9.4!,f=-8.2!) USER MOD Set 2.2: A 81 LYS NZ :NH3+ 138:sc= 0.217 (180deg=0) USER MOD Set 3.1: A 55 SER OG : rot 18:sc= 0.0508 USER MOD Set 3.2: A 64 HIS : no HD1:sc= -0.976 X(o=-0.93,f=-1.3) USER MOD Set 4.1: A 35 HIS : no HE2:sc= -3.07 X(o=-3.9,f=-4.2) USER MOD Set 4.2: A 39 THR OG1 : rot -127:sc= -0.799 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -14:sc= 0.932 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -4.38! C(o=-4.4!,f=-3.3!) USER MOD Single : A 23 MET CE :methyl -177:sc= -1.95! (180deg=-2.09!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 73:sc= 0.906 USER MOD Single : A 30 ASN : amide:sc= -2.58! C(o=-2.6!,f=-3.9!) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.22) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 58:sc= 0.423 USER MOD Single : A 40 TYR OH : rot 164:sc= 1.39 USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= -1.98 (180deg=-2.41) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= -1.63 (180deg=-1.84) USER MOD Single : A 66 LYS NZ :NH3+ -130:sc=-0.00896 (180deg=-0.789) USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= -0.0138 (180deg=-0.153) USER MOD Single : A 72 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.12) USER MOD Single : A 77 THR OG1 : rot -55:sc= 0.00142 USER MOD Single : A 80 LYS NZ :NH3+ -160:sc= -0.0252 (180deg=-0.568) USER MOD Single : A 84 SER OG : rot 9:sc= 1.21 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.629 K(o=-0.63,f=-1.2) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -3.07! C(o=-3.1!,f=-14!) USER MOD Single : A 96 SER OG : rot 180:sc= -0.0801 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0475 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot -41:sc= 0.0426 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 11:sc= 0.369! USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.354 -23.278 5.646 1.00 0.00 N ATOM 2 CA GLY A 1 3.736 -22.601 4.521 1.00 0.00 C ATOM 3 C GLY A 1 2.264 -22.935 4.382 1.00 0.00 C ATOM 4 O GLY A 1 1.907 -24.030 3.948 1.00 0.00 O ATOM 0 H1 GLY A 1 5.359 -23.017 5.698 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.877 -22.996 6.526 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.269 -24.307 5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.851 -21.524 4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.256 -22.877 3.604 1.00 0.00 H new ATOM 8 N SER A 2 1.407 -21.989 4.753 1.00 0.00 N ATOM 9 CA SER A 2 -0.035 -22.191 4.672 1.00 0.00 C ATOM 10 C SER A 2 -0.417 -22.868 3.359 1.00 0.00 C ATOM 11 O SER A 2 -1.142 -23.863 3.350 1.00 0.00 O ATOM 12 CB SER A 2 -0.767 -20.853 4.800 1.00 0.00 C ATOM 13 OG SER A 2 -0.200 -19.878 3.941 1.00 0.00 O ATOM 0 H SER A 2 1.686 -21.076 5.112 1.00 0.00 H new ATOM 0 HA SER A 2 -0.332 -22.841 5.495 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.821 -20.987 4.558 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.719 -20.506 5.832 1.00 0.00 H new ATOM 0 HG SER A 2 -0.686 -19.033 4.040 1.00 0.00 H new ATOM 19 N SER A 3 0.076 -22.322 2.253 1.00 0.00 N ATOM 20 CA SER A 3 -0.215 -22.869 0.934 1.00 0.00 C ATOM 21 C SER A 3 0.610 -22.166 -0.141 1.00 0.00 C ATOM 22 O SER A 3 1.292 -21.180 0.131 1.00 0.00 O ATOM 23 CB SER A 3 -1.705 -22.734 0.620 1.00 0.00 C ATOM 24 OG SER A 3 -2.037 -21.397 0.287 1.00 0.00 O ATOM 0 H SER A 3 0.680 -21.500 2.244 1.00 0.00 H new ATOM 0 HA SER A 3 0.053 -23.925 0.939 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.967 -23.394 -0.207 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.292 -23.054 1.481 1.00 0.00 H new ATOM 0 HG SER A 3 -2.995 -21.337 0.089 1.00 0.00 H new ATOM 30 N GLY A 4 0.539 -22.683 -1.364 1.00 0.00 N ATOM 31 CA GLY A 4 1.282 -22.093 -2.462 1.00 0.00 C ATOM 32 C GLY A 4 1.951 -23.135 -3.336 1.00 0.00 C ATOM 33 O GLY A 4 2.759 -23.931 -2.857 1.00 0.00 O ATOM 0 H GLY A 4 -0.019 -23.499 -1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.607 -21.491 -3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.039 -21.418 -2.063 1.00 0.00 H new ATOM 37 N SER A 5 1.612 -23.133 -4.621 1.00 0.00 N ATOM 38 CA SER A 5 2.180 -24.090 -5.564 1.00 0.00 C ATOM 39 C SER A 5 2.913 -23.371 -6.692 1.00 0.00 C ATOM 40 O SER A 5 2.878 -22.144 -6.787 1.00 0.00 O ATOM 41 CB SER A 5 1.081 -24.983 -6.142 1.00 0.00 C ATOM 42 OG SER A 5 0.363 -25.641 -5.112 1.00 0.00 O ATOM 0 H SER A 5 0.947 -22.479 -5.033 1.00 0.00 H new ATOM 0 HA SER A 5 2.897 -24.711 -5.026 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.396 -24.381 -6.740 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.523 -25.722 -6.811 1.00 0.00 H new ATOM 0 HG SER A 5 -0.335 -26.204 -5.508 1.00 0.00 H new ATOM 48 N SER A 6 3.578 -24.144 -7.544 1.00 0.00 N ATOM 49 CA SER A 6 4.323 -23.583 -8.664 1.00 0.00 C ATOM 50 C SER A 6 3.559 -23.765 -9.972 1.00 0.00 C ATOM 51 O SER A 6 2.934 -24.801 -10.200 1.00 0.00 O ATOM 52 CB SER A 6 5.700 -24.241 -8.770 1.00 0.00 C ATOM 53 OG SER A 6 6.593 -23.439 -9.522 1.00 0.00 O ATOM 0 H SER A 6 3.616 -25.161 -7.480 1.00 0.00 H new ATOM 0 HA SER A 6 4.451 -22.516 -8.483 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.106 -24.404 -7.772 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.603 -25.220 -9.239 1.00 0.00 H new ATOM 0 HG SER A 6 7.466 -23.881 -9.573 1.00 0.00 H new ATOM 59 N GLY A 7 3.612 -22.750 -10.829 1.00 0.00 N ATOM 60 CA GLY A 7 2.921 -22.816 -12.103 1.00 0.00 C ATOM 61 C GLY A 7 2.436 -21.459 -12.571 1.00 0.00 C ATOM 62 O GLY A 7 2.956 -20.907 -13.541 1.00 0.00 O ATOM 0 H GLY A 7 4.122 -21.882 -10.663 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.589 -23.238 -12.854 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.071 -23.492 -12.017 1.00 0.00 H new ATOM 66 N SER A 8 1.436 -20.919 -11.882 1.00 0.00 N ATOM 67 CA SER A 8 0.877 -19.620 -12.237 1.00 0.00 C ATOM 68 C SER A 8 1.851 -18.497 -11.893 1.00 0.00 C ATOM 69 O SER A 8 2.763 -18.678 -11.086 1.00 0.00 O ATOM 70 CB SER A 8 -0.452 -19.398 -11.511 1.00 0.00 C ATOM 71 OG SER A 8 -1.427 -20.334 -11.937 1.00 0.00 O ATOM 0 H SER A 8 0.996 -21.361 -11.075 1.00 0.00 H new ATOM 0 HA SER A 8 0.702 -19.609 -13.313 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.302 -19.488 -10.435 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.808 -18.385 -11.699 1.00 0.00 H new ATOM 0 HG SER A 8 -2.267 -20.173 -11.458 1.00 0.00 H new ATOM 77 N ARG A 9 1.650 -17.338 -12.510 1.00 0.00 N ATOM 78 CA ARG A 9 2.510 -16.186 -12.271 1.00 0.00 C ATOM 79 C ARG A 9 1.835 -15.188 -11.335 1.00 0.00 C ATOM 80 O ARG A 9 0.609 -15.074 -11.313 1.00 0.00 O ATOM 81 CB ARG A 9 2.862 -15.502 -13.594 1.00 0.00 C ATOM 82 CG ARG A 9 3.795 -16.319 -14.473 1.00 0.00 C ATOM 83 CD ARG A 9 4.512 -15.444 -15.488 1.00 0.00 C ATOM 84 NE ARG A 9 5.333 -14.421 -14.847 1.00 0.00 N ATOM 85 CZ ARG A 9 5.937 -13.441 -15.510 1.00 0.00 C ATOM 86 NH1 ARG A 9 5.812 -13.351 -16.826 1.00 0.00 N ATOM 87 NH2 ARG A 9 6.668 -12.548 -14.855 1.00 0.00 N ATOM 0 H ARG A 9 0.899 -17.172 -13.180 1.00 0.00 H new ATOM 0 HA ARG A 9 3.426 -16.540 -11.798 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.943 -15.299 -14.144 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.326 -14.539 -13.383 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.528 -16.831 -13.850 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.225 -17.089 -14.993 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.141 -16.067 -16.124 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.778 -14.966 -16.137 1.00 0.00 H new ATOM 0 HE ARG A 9 5.449 -14.461 -13.834 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.251 -14.035 -17.333 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.277 -12.597 -17.332 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.766 -12.614 -13.842 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.132 -11.796 -15.365 1.00 0.00 H new ATOM 101 N GLU A 10 2.643 -14.468 -10.562 1.00 0.00 N ATOM 102 CA GLU A 10 2.122 -13.482 -9.623 1.00 0.00 C ATOM 103 C GLU A 10 2.554 -12.072 -10.020 1.00 0.00 C ATOM 104 O GLU A 10 3.591 -11.886 -10.656 1.00 0.00 O ATOM 105 CB GLU A 10 2.602 -13.793 -8.204 1.00 0.00 C ATOM 106 CG GLU A 10 1.792 -14.875 -7.512 1.00 0.00 C ATOM 107 CD GLU A 10 1.606 -16.108 -8.375 1.00 0.00 C ATOM 108 OE1 GLU A 10 2.606 -16.814 -8.623 1.00 0.00 O ATOM 109 OE2 GLU A 10 0.462 -16.367 -8.803 1.00 0.00 O ATOM 0 H GLU A 10 3.660 -14.549 -10.568 1.00 0.00 H new ATOM 0 HA GLU A 10 1.033 -13.532 -9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.647 -14.101 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.560 -12.882 -7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.289 -15.158 -6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.815 -14.475 -7.242 1.00 0.00 H new ATOM 116 N ILE A 11 1.749 -11.085 -9.640 1.00 0.00 N ATOM 117 CA ILE A 11 2.048 -9.693 -9.955 1.00 0.00 C ATOM 118 C ILE A 11 3.238 -9.190 -9.146 1.00 0.00 C ATOM 119 O ILE A 11 3.342 -9.448 -7.947 1.00 0.00 O ATOM 120 CB ILE A 11 0.835 -8.783 -9.684 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.387 -9.279 -10.460 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.159 -7.345 -10.059 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.704 -8.889 -9.828 1.00 0.00 C ATOM 0 H ILE A 11 0.886 -11.223 -9.114 1.00 0.00 H new ATOM 0 HA ILE A 11 2.292 -9.654 -11.017 1.00 0.00 H new ATOM 0 HB ILE A 11 0.604 -8.818 -8.619 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.349 -8.882 -11.474 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.340 -10.365 -10.541 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.293 -6.714 -9.862 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.005 -6.996 -9.466 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.412 -7.293 -11.118 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.526 -9.274 -10.432 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.764 -9.309 -8.824 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.773 -7.803 -9.772 1.00 0.00 H new ATOM 135 N ASP A 12 4.134 -8.467 -9.810 1.00 0.00 N ATOM 136 CA ASP A 12 5.317 -7.924 -9.154 1.00 0.00 C ATOM 137 C ASP A 12 5.058 -6.505 -8.656 1.00 0.00 C ATOM 138 O ASP A 12 4.897 -5.578 -9.450 1.00 0.00 O ATOM 139 CB ASP A 12 6.508 -7.933 -10.113 1.00 0.00 C ATOM 140 CG ASP A 12 7.824 -7.676 -9.403 1.00 0.00 C ATOM 141 OD1 ASP A 12 8.145 -6.494 -9.160 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.531 -8.656 -9.094 1.00 0.00 O ATOM 0 H ASP A 12 4.063 -8.244 -10.803 1.00 0.00 H new ATOM 0 HA ASP A 12 5.548 -8.555 -8.296 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.555 -8.896 -10.621 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.358 -7.174 -10.881 1.00 0.00 H new ATOM 147 N TYR A 13 5.020 -6.343 -7.339 1.00 0.00 N ATOM 148 CA TYR A 13 4.777 -5.038 -6.736 1.00 0.00 C ATOM 149 C TYR A 13 6.062 -4.217 -6.678 1.00 0.00 C ATOM 150 O TYR A 13 6.033 -2.989 -6.757 1.00 0.00 O ATOM 151 CB TYR A 13 4.200 -5.203 -5.328 1.00 0.00 C ATOM 152 CG TYR A 13 3.112 -6.248 -5.238 1.00 0.00 C ATOM 153 CD1 TYR A 13 2.061 -6.266 -6.148 1.00 0.00 C ATOM 154 CD2 TYR A 13 3.134 -7.218 -4.244 1.00 0.00 C ATOM 155 CE1 TYR A 13 1.064 -7.219 -6.069 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.142 -8.177 -4.159 1.00 0.00 C ATOM 157 CZ TYR A 13 1.110 -8.172 -5.074 1.00 0.00 C ATOM 158 OH TYR A 13 0.119 -9.124 -4.990 1.00 0.00 O ATOM 0 H TYR A 13 5.154 -7.099 -6.668 1.00 0.00 H new ATOM 0 HA TYR A 13 4.056 -4.507 -7.357 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.005 -5.469 -4.643 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.801 -4.245 -4.994 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.023 -5.522 -6.930 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.940 -7.223 -3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.253 -7.217 -6.783 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.175 -8.925 -3.381 1.00 0.00 H new ATOM 0 HH TYR A 13 0.302 -9.720 -4.234 1.00 0.00 H new ATOM 168 N THR A 14 7.191 -4.907 -6.540 1.00 0.00 N ATOM 169 CA THR A 14 8.487 -4.243 -6.471 1.00 0.00 C ATOM 170 C THR A 14 8.895 -3.691 -7.832 1.00 0.00 C ATOM 171 O THR A 14 9.980 -3.131 -7.985 1.00 0.00 O ATOM 172 CB THR A 14 9.582 -5.203 -5.970 1.00 0.00 C ATOM 173 OG1 THR A 14 9.806 -6.238 -6.935 1.00 0.00 O ATOM 174 CG2 THR A 14 9.191 -5.823 -4.637 1.00 0.00 C ATOM 0 H THR A 14 7.233 -5.924 -6.474 1.00 0.00 H new ATOM 0 HA THR A 14 8.384 -3.419 -5.764 1.00 0.00 H new ATOM 0 HB THR A 14 10.499 -4.631 -5.831 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.077 -6.238 -7.590 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.980 -6.497 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.050 -5.035 -3.897 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.262 -6.381 -4.754 1.00 0.00 H new ATOM 182 N ALA A 15 8.017 -3.851 -8.817 1.00 0.00 N ATOM 183 CA ALA A 15 8.286 -3.365 -10.165 1.00 0.00 C ATOM 184 C ALA A 15 7.745 -1.952 -10.357 1.00 0.00 C ATOM 185 O ALA A 15 8.180 -1.226 -11.251 1.00 0.00 O ATOM 186 CB ALA A 15 7.683 -4.308 -11.196 1.00 0.00 C ATOM 0 H ALA A 15 7.114 -4.313 -8.707 1.00 0.00 H new ATOM 0 HA ALA A 15 9.367 -3.334 -10.305 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.891 -3.933 -12.198 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.120 -5.300 -11.082 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.605 -4.368 -11.048 1.00 0.00 H new ATOM 192 N TYR A 16 6.794 -1.568 -9.513 1.00 0.00 N ATOM 193 CA TYR A 16 6.191 -0.243 -9.591 1.00 0.00 C ATOM 194 C TYR A 16 7.030 0.783 -8.836 1.00 0.00 C ATOM 195 O TYR A 16 7.695 0.472 -7.846 1.00 0.00 O ATOM 196 CB TYR A 16 4.770 -0.272 -9.028 1.00 0.00 C ATOM 197 CG TYR A 16 3.800 -1.069 -9.870 1.00 0.00 C ATOM 198 CD1 TYR A 16 3.296 -0.555 -11.057 1.00 0.00 C ATOM 199 CD2 TYR A 16 3.388 -2.336 -9.476 1.00 0.00 C ATOM 200 CE1 TYR A 16 2.409 -1.280 -11.830 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.503 -3.069 -10.243 1.00 0.00 C ATOM 202 CZ TYR A 16 2.016 -2.536 -11.419 1.00 0.00 C ATOM 203 OH TYR A 16 1.133 -3.263 -12.185 1.00 0.00 O ATOM 0 H TYR A 16 6.424 -2.156 -8.766 1.00 0.00 H new ATOM 0 HA TYR A 16 6.152 0.049 -10.640 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.795 -0.692 -8.023 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.404 0.751 -8.937 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.602 0.428 -11.382 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.766 -2.755 -8.555 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.026 -0.865 -12.751 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.194 -4.053 -9.924 1.00 0.00 H new ATOM 0 HH TYR A 16 0.961 -4.126 -11.755 1.00 0.00 H new ATOM 213 N PRO A 17 6.999 2.037 -9.310 1.00 0.00 N ATOM 214 CA PRO A 17 7.749 3.135 -8.694 1.00 0.00 C ATOM 215 C PRO A 17 7.184 3.532 -7.335 1.00 0.00 C ATOM 216 O PRO A 17 7.909 4.028 -6.472 1.00 0.00 O ATOM 217 CB PRO A 17 7.586 4.281 -9.695 1.00 0.00 C ATOM 218 CG PRO A 17 6.318 3.978 -10.415 1.00 0.00 C ATOM 219 CD PRO A 17 6.229 2.480 -10.485 1.00 0.00 C ATOM 0 HA PRO A 17 8.787 2.862 -8.502 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.533 5.245 -9.188 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.430 4.329 -10.383 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.460 4.396 -9.887 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.322 4.416 -11.413 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.196 2.136 -10.441 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.654 2.095 -11.412 1.00 0.00 H new ATOM 227 N TRP A 18 5.889 3.310 -7.150 1.00 0.00 N ATOM 228 CA TRP A 18 5.227 3.645 -5.894 1.00 0.00 C ATOM 229 C TRP A 18 5.463 2.560 -4.848 1.00 0.00 C ATOM 230 O TRP A 18 4.773 2.503 -3.831 1.00 0.00 O ATOM 231 CB TRP A 18 3.726 3.835 -6.118 1.00 0.00 C ATOM 232 CG TRP A 18 3.131 2.818 -7.044 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.778 3.005 -8.350 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.816 1.456 -6.733 1.00 0.00 C ATOM 235 NE1 TRP A 18 2.264 1.843 -8.870 1.00 0.00 N ATOM 236 CE2 TRP A 18 2.277 0.876 -7.899 1.00 0.00 C ATOM 237 CE3 TRP A 18 2.938 0.670 -5.585 1.00 0.00 C ATOM 238 CZ2 TRP A 18 1.861 -0.451 -7.945 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.525 -0.648 -5.633 1.00 0.00 C ATOM 240 CH2 TRP A 18 1.993 -1.198 -6.806 1.00 0.00 C ATOM 0 H TRP A 18 5.275 2.899 -7.854 1.00 0.00 H new ATOM 0 HA TRP A 18 5.653 4.578 -5.526 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.213 3.785 -5.157 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.549 4.832 -6.522 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.887 3.931 -8.894 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.927 1.719 -9.825 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.348 1.085 -4.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.448 -0.876 -8.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.614 -1.264 -4.751 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.681 -2.232 -6.812 1.00 0.00 H new ATOM 251 N PHE A 19 6.444 1.701 -5.105 1.00 0.00 N ATOM 252 CA PHE A 19 6.771 0.617 -4.186 1.00 0.00 C ATOM 253 C PHE A 19 7.862 1.043 -3.208 1.00 0.00 C ATOM 254 O PHE A 19 8.983 1.353 -3.609 1.00 0.00 O ATOM 255 CB PHE A 19 7.223 -0.622 -4.964 1.00 0.00 C ATOM 256 CG PHE A 19 8.044 -1.577 -4.145 1.00 0.00 C ATOM 257 CD1 PHE A 19 7.430 -2.538 -3.357 1.00 0.00 C ATOM 258 CD2 PHE A 19 9.427 -1.516 -4.164 1.00 0.00 C ATOM 259 CE1 PHE A 19 8.182 -3.418 -2.602 1.00 0.00 C ATOM 260 CE2 PHE A 19 10.185 -2.394 -3.412 1.00 0.00 C ATOM 261 CZ PHE A 19 9.561 -3.346 -2.631 1.00 0.00 C ATOM 0 H PHE A 19 7.026 1.735 -5.942 1.00 0.00 H new ATOM 0 HA PHE A 19 5.873 0.373 -3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.344 -1.144 -5.343 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.804 -0.305 -5.830 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.352 -2.600 -3.333 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.920 -0.773 -4.774 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.692 -4.161 -1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.263 -2.335 -3.435 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.151 -4.034 -2.043 1.00 0.00 H new ATOM 271 N ALA A 20 7.523 1.057 -1.923 1.00 0.00 N ATOM 272 CA ALA A 20 8.473 1.444 -0.887 1.00 0.00 C ATOM 273 C ALA A 20 9.522 0.359 -0.671 1.00 0.00 C ATOM 274 O ALA A 20 10.701 0.556 -0.958 1.00 0.00 O ATOM 275 CB ALA A 20 7.743 1.743 0.414 1.00 0.00 C ATOM 0 H ALA A 20 6.598 0.805 -1.575 1.00 0.00 H new ATOM 0 HA ALA A 20 8.986 2.347 -1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.465 2.031 1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.037 2.559 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.203 0.854 0.741 1.00 0.00 H new ATOM 281 N GLY A 21 9.083 -0.789 -0.161 1.00 0.00 N ATOM 282 CA GLY A 21 9.998 -1.888 0.086 1.00 0.00 C ATOM 283 C GLY A 21 10.435 -1.963 1.536 1.00 0.00 C ATOM 284 O GLY A 21 11.571 -1.622 1.866 1.00 0.00 O ATOM 0 H GLY A 21 8.111 -0.977 0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.519 -2.826 -0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.876 -1.776 -0.550 1.00 0.00 H new ATOM 288 N ASN A 22 9.532 -2.409 2.402 1.00 0.00 N ATOM 289 CA ASN A 22 9.831 -2.526 3.825 1.00 0.00 C ATOM 290 C ASN A 22 10.723 -1.379 4.290 1.00 0.00 C ATOM 291 O ASN A 22 11.700 -1.590 5.008 1.00 0.00 O ATOM 292 CB ASN A 22 10.511 -3.866 4.117 1.00 0.00 C ATOM 293 CG ASN A 22 12.000 -3.832 3.830 1.00 0.00 C ATOM 294 OD1 ASN A 22 12.817 -3.707 4.742 1.00 0.00 O ATOM 295 ND2 ASN A 22 12.359 -3.944 2.556 1.00 0.00 N ATOM 0 H ASN A 22 8.588 -2.695 2.144 1.00 0.00 H new ATOM 0 HA ASN A 22 8.890 -2.477 4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.351 -4.132 5.162 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.045 -4.646 3.515 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.347 -3.928 2.301 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.647 -4.046 1.833 1.00 0.00 H new ATOM 302 N MET A 23 10.378 -0.164 3.875 1.00 0.00 N ATOM 303 CA MET A 23 11.147 1.018 4.250 1.00 0.00 C ATOM 304 C MET A 23 10.977 1.328 5.735 1.00 0.00 C ATOM 305 O MET A 23 10.312 0.590 6.459 1.00 0.00 O ATOM 306 CB MET A 23 10.712 2.223 3.414 1.00 0.00 C ATOM 307 CG MET A 23 9.579 3.021 4.039 1.00 0.00 C ATOM 308 SD MET A 23 8.519 3.805 2.809 1.00 0.00 S ATOM 309 CE MET A 23 9.575 5.142 2.255 1.00 0.00 C ATOM 0 H MET A 23 9.572 0.028 3.280 1.00 0.00 H new ATOM 0 HA MET A 23 12.200 0.812 4.057 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.569 2.880 3.266 1.00 0.00 H new ATOM 0 HB3 MET A 23 10.401 1.877 2.428 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.977 2.361 4.664 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.997 3.786 4.693 1.00 0.00 H new ATOM 0 HE1 MET A 23 9.038 5.753 1.529 1.00 0.00 H new ATOM 0 HE2 MET A 23 9.859 5.758 3.108 1.00 0.00 H new ATOM 0 HE3 MET A 23 10.471 4.730 1.791 1.00 0.00 H new ATOM 319 N GLU A 24 11.584 2.423 6.179 1.00 0.00 N ATOM 320 CA GLU A 24 11.501 2.829 7.577 1.00 0.00 C ATOM 321 C GLU A 24 10.273 3.704 7.817 1.00 0.00 C ATOM 322 O GLU A 24 9.917 4.535 6.982 1.00 0.00 O ATOM 323 CB GLU A 24 12.766 3.582 7.989 1.00 0.00 C ATOM 324 CG GLU A 24 14.024 2.731 7.943 1.00 0.00 C ATOM 325 CD GLU A 24 15.264 3.499 8.361 1.00 0.00 C ATOM 326 OE1 GLU A 24 15.879 4.152 7.494 1.00 0.00 O ATOM 327 OE2 GLU A 24 15.618 3.445 9.557 1.00 0.00 O ATOM 0 H GLU A 24 12.139 3.045 5.591 1.00 0.00 H new ATOM 0 HA GLU A 24 11.409 1.929 8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.896 4.443 7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.636 3.968 9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.898 1.868 8.597 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.162 2.348 6.932 1.00 0.00 H new ATOM 334 N ARG A 25 9.631 3.509 8.964 1.00 0.00 N ATOM 335 CA ARG A 25 8.443 4.278 9.314 1.00 0.00 C ATOM 336 C ARG A 25 8.760 5.769 9.377 1.00 0.00 C ATOM 337 O ARG A 25 8.102 6.580 8.727 1.00 0.00 O ATOM 338 CB ARG A 25 7.883 3.808 10.658 1.00 0.00 C ATOM 339 CG ARG A 25 8.874 3.921 11.806 1.00 0.00 C ATOM 340 CD ARG A 25 8.518 2.979 12.944 1.00 0.00 C ATOM 341 NE ARG A 25 9.051 3.442 14.224 1.00 0.00 N ATOM 342 CZ ARG A 25 8.718 2.908 15.394 1.00 0.00 C ATOM 343 NH1 ARG A 25 7.861 1.898 15.447 1.00 0.00 N ATOM 344 NH2 ARG A 25 9.245 3.384 16.515 1.00 0.00 N ATOM 0 H ARG A 25 9.913 2.825 9.666 1.00 0.00 H new ATOM 0 HA ARG A 25 7.694 4.115 8.539 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.995 4.394 10.897 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.564 2.770 10.566 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.877 3.695 11.445 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.891 4.947 12.173 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.434 2.888 13.014 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.908 1.984 12.727 1.00 0.00 H new ATOM 0 HE ARG A 25 9.714 4.217 14.219 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.455 1.528 14.588 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.608 1.491 16.347 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.906 4.160 16.478 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.989 2.974 17.413 1.00 0.00 H new ATOM 358 N GLN A 26 9.770 6.122 10.166 1.00 0.00 N ATOM 359 CA GLN A 26 10.173 7.515 10.314 1.00 0.00 C ATOM 360 C GLN A 26 10.504 8.134 8.960 1.00 0.00 C ATOM 361 O GLN A 26 10.146 9.279 8.687 1.00 0.00 O ATOM 362 CB GLN A 26 11.381 7.622 11.246 1.00 0.00 C ATOM 363 CG GLN A 26 12.604 6.873 10.745 1.00 0.00 C ATOM 364 CD GLN A 26 13.847 7.172 11.561 1.00 0.00 C ATOM 365 OE1 GLN A 26 14.598 8.099 11.253 1.00 0.00 O ATOM 366 NE2 GLN A 26 14.070 6.387 12.609 1.00 0.00 N ATOM 0 H GLN A 26 10.324 5.462 10.712 1.00 0.00 H new ATOM 0 HA GLN A 26 9.338 8.064 10.749 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.637 8.673 11.376 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.107 7.237 12.228 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.405 5.802 10.772 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.786 7.137 9.703 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.421 5.631 12.827 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.890 6.540 13.196 1.00 0.00 H new ATOM 375 N GLN A 27 11.187 7.367 8.117 1.00 0.00 N ATOM 376 CA GLN A 27 11.567 7.842 6.790 1.00 0.00 C ATOM 377 C GLN A 27 10.333 8.128 5.941 1.00 0.00 C ATOM 378 O GLN A 27 10.309 9.083 5.163 1.00 0.00 O ATOM 379 CB GLN A 27 12.453 6.809 6.091 1.00 0.00 C ATOM 380 CG GLN A 27 13.320 7.399 4.990 1.00 0.00 C ATOM 381 CD GLN A 27 14.055 6.337 4.195 1.00 0.00 C ATOM 382 OE1 GLN A 27 15.022 5.745 4.675 1.00 0.00 O ATOM 383 NE2 GLN A 27 13.599 6.091 2.974 1.00 0.00 N ATOM 0 H GLN A 27 11.489 6.416 8.328 1.00 0.00 H new ATOM 0 HA GLN A 27 12.127 8.770 6.909 1.00 0.00 H new ATOM 0 HB2 GLN A 27 13.095 6.332 6.832 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.822 6.028 5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.696 7.985 4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.044 8.084 5.431 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.794 6.606 2.617 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.053 5.387 2.392 1.00 0.00 H new ATOM 392 N THR A 28 9.308 7.295 6.095 1.00 0.00 N ATOM 393 CA THR A 28 8.071 7.459 5.342 1.00 0.00 C ATOM 394 C THR A 28 7.388 8.778 5.685 1.00 0.00 C ATOM 395 O THR A 28 7.036 9.555 4.797 1.00 0.00 O ATOM 396 CB THR A 28 7.092 6.301 5.612 1.00 0.00 C ATOM 397 OG1 THR A 28 7.809 5.065 5.702 1.00 0.00 O ATOM 398 CG2 THR A 28 6.048 6.208 4.509 1.00 0.00 C ATOM 0 H THR A 28 9.310 6.500 6.734 1.00 0.00 H new ATOM 0 HA THR A 28 8.341 7.458 4.286 1.00 0.00 H new ATOM 0 HB THR A 28 6.584 6.496 6.557 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.300 5.033 6.549 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.367 5.383 4.721 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.485 7.140 4.461 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.543 6.034 3.553 1.00 0.00 H new ATOM 406 N ASP A 29 7.204 9.024 6.977 1.00 0.00 N ATOM 407 CA ASP A 29 6.564 10.251 7.438 1.00 0.00 C ATOM 408 C ASP A 29 7.526 11.432 7.348 1.00 0.00 C ATOM 409 O ASP A 29 7.115 12.587 7.444 1.00 0.00 O ATOM 410 CB ASP A 29 6.073 10.086 8.876 1.00 0.00 C ATOM 411 CG ASP A 29 4.847 10.928 9.170 1.00 0.00 C ATOM 412 OD1 ASP A 29 4.867 12.135 8.853 1.00 0.00 O ATOM 413 OD2 ASP A 29 3.867 10.380 9.717 1.00 0.00 O ATOM 0 H ASP A 29 7.489 8.390 7.724 1.00 0.00 H new ATOM 0 HA ASP A 29 5.709 10.451 6.792 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.842 9.037 9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.873 10.361 9.564 1.00 0.00 H new ATOM 418 N ASN A 30 8.808 11.132 7.165 1.00 0.00 N ATOM 419 CA ASN A 30 9.828 12.170 7.064 1.00 0.00 C ATOM 420 C ASN A 30 9.962 12.664 5.627 1.00 0.00 C ATOM 421 O ASN A 30 10.263 13.834 5.386 1.00 0.00 O ATOM 422 CB ASN A 30 11.175 11.640 7.560 1.00 0.00 C ATOM 423 CG ASN A 30 11.255 11.589 9.073 1.00 0.00 C ATOM 424 OD1 ASN A 30 10.287 11.901 9.768 1.00 0.00 O ATOM 425 ND2 ASN A 30 12.413 11.196 9.591 1.00 0.00 N ATOM 0 H ASN A 30 9.165 10.180 7.084 1.00 0.00 H new ATOM 0 HA ASN A 30 9.521 13.008 7.690 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.340 10.641 7.156 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.975 12.274 7.178 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.527 11.143 10.603 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.188 10.947 8.977 1.00 0.00 H new ATOM 432 N LEU A 31 9.733 11.766 4.675 1.00 0.00 N ATOM 433 CA LEU A 31 9.827 12.110 3.261 1.00 0.00 C ATOM 434 C LEU A 31 8.465 12.522 2.709 1.00 0.00 C ATOM 435 O LEU A 31 8.374 13.381 1.831 1.00 0.00 O ATOM 436 CB LEU A 31 10.376 10.926 2.463 1.00 0.00 C ATOM 437 CG LEU A 31 9.443 9.723 2.317 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.587 9.860 1.068 1.00 0.00 C ATOM 439 CD2 LEU A 31 10.243 8.430 2.280 1.00 0.00 C ATOM 0 H LEU A 31 9.481 10.794 4.857 1.00 0.00 H new ATOM 0 HA LEU A 31 10.509 12.954 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.641 11.278 1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.298 10.590 2.938 1.00 0.00 H new ATOM 0 HG LEU A 31 8.782 9.692 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.930 8.995 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.986 10.767 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.231 9.917 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.563 7.584 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.929 8.451 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.811 8.327 3.205 1.00 0.00 H new ATOM 451 N LEU A 32 7.410 11.906 3.231 1.00 0.00 N ATOM 452 CA LEU A 32 6.053 12.209 2.793 1.00 0.00 C ATOM 453 C LEU A 32 5.651 13.622 3.205 1.00 0.00 C ATOM 454 O LEU A 32 5.162 14.403 2.389 1.00 0.00 O ATOM 455 CB LEU A 32 5.068 11.195 3.377 1.00 0.00 C ATOM 456 CG LEU A 32 4.920 9.882 2.608 1.00 0.00 C ATOM 457 CD1 LEU A 32 3.747 9.078 3.144 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.748 10.153 1.120 1.00 0.00 C ATOM 0 H LEU A 32 7.469 11.193 3.958 1.00 0.00 H new ATOM 0 HA LEU A 32 6.026 12.146 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.378 10.963 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.088 11.667 3.442 1.00 0.00 H new ATOM 0 HG LEU A 32 5.829 9.296 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.658 8.147 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.911 8.853 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.829 9.656 3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.644 9.208 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.856 10.759 0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.621 10.687 0.744 1.00 0.00 H new ATOM 470 N LYS A 33 5.861 13.943 4.477 1.00 0.00 N ATOM 471 CA LYS A 33 5.525 15.263 4.999 1.00 0.00 C ATOM 472 C LYS A 33 5.906 16.354 4.004 1.00 0.00 C ATOM 473 O LYS A 33 5.160 17.313 3.804 1.00 0.00 O ATOM 474 CB LYS A 33 6.234 15.502 6.333 1.00 0.00 C ATOM 475 CG LYS A 33 7.747 15.565 6.214 1.00 0.00 C ATOM 476 CD LYS A 33 8.397 15.902 7.546 1.00 0.00 C ATOM 477 CE LYS A 33 9.733 16.603 7.353 1.00 0.00 C ATOM 478 NZ LYS A 33 10.862 15.636 7.278 1.00 0.00 N ATOM 0 H LYS A 33 6.262 13.307 5.166 1.00 0.00 H new ATOM 0 HA LYS A 33 4.447 15.301 5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.873 16.435 6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.965 14.705 7.026 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.125 14.608 5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.024 16.315 5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.731 16.540 8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.544 14.988 8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.703 17.197 6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.902 17.295 8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.758 16.155 7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.887 15.063 8.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.732 15.013 6.455 1.00 0.00 H new ATOM 492 N SER A 34 7.072 16.203 3.384 1.00 0.00 N ATOM 493 CA SER A 34 7.553 17.178 2.413 1.00 0.00 C ATOM 494 C SER A 34 6.774 17.072 1.105 1.00 0.00 C ATOM 495 O SER A 34 6.443 18.083 0.483 1.00 0.00 O ATOM 496 CB SER A 34 9.046 16.971 2.148 1.00 0.00 C ATOM 497 OG SER A 34 9.488 17.771 1.064 1.00 0.00 O ATOM 0 H SER A 34 7.701 15.415 3.537 1.00 0.00 H new ATOM 0 HA SER A 34 7.399 18.174 2.828 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.615 17.220 3.044 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.238 15.920 1.930 1.00 0.00 H new ATOM 0 HG SER A 34 10.445 17.622 0.916 1.00 0.00 H new ATOM 503 N HIS A 35 6.482 15.842 0.695 1.00 0.00 N ATOM 504 CA HIS A 35 5.741 15.603 -0.539 1.00 0.00 C ATOM 505 C HIS A 35 4.464 16.437 -0.574 1.00 0.00 C ATOM 506 O HIS A 35 4.166 17.175 0.364 1.00 0.00 O ATOM 507 CB HIS A 35 5.399 14.118 -0.673 1.00 0.00 C ATOM 508 CG HIS A 35 6.443 13.326 -1.396 1.00 0.00 C ATOM 509 ND1 HIS A 35 6.836 13.603 -2.689 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.179 12.261 -1.001 1.00 0.00 C ATOM 511 CE1 HIS A 35 7.767 12.740 -3.058 1.00 0.00 C ATOM 512 NE2 HIS A 35 7.994 11.916 -2.050 1.00 0.00 N ATOM 0 H HIS A 35 6.747 14.995 1.199 1.00 0.00 H new ATOM 0 HA HIS A 35 6.371 15.900 -1.377 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.258 13.695 0.322 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.450 14.018 -1.199 1.00 0.00 H new ATOM 0 HD1 HIS A 35 6.466 14.356 -3.269 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.133 11.773 -0.039 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.258 12.713 -4.019 1.00 0.00 H new ATOM 521 N ALA A 36 3.714 16.315 -1.666 1.00 0.00 N ATOM 522 CA ALA A 36 2.469 17.057 -1.823 1.00 0.00 C ATOM 523 C ALA A 36 1.315 16.349 -1.121 1.00 0.00 C ATOM 524 O ALA A 36 1.508 15.319 -0.475 1.00 0.00 O ATOM 525 CB ALA A 36 2.154 17.250 -3.298 1.00 0.00 C ATOM 0 H ALA A 36 3.947 15.710 -2.453 1.00 0.00 H new ATOM 0 HA ALA A 36 2.596 18.035 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.222 17.805 -3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.962 17.806 -3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.052 16.277 -3.779 1.00 0.00 H new ATOM 531 N SER A 37 0.116 16.908 -1.252 1.00 0.00 N ATOM 532 CA SER A 37 -1.067 16.332 -0.627 1.00 0.00 C ATOM 533 C SER A 37 -1.700 15.277 -1.529 1.00 0.00 C ATOM 534 O SER A 37 -2.921 15.129 -1.569 1.00 0.00 O ATOM 535 CB SER A 37 -2.088 17.427 -0.311 1.00 0.00 C ATOM 536 OG SER A 37 -2.846 17.764 -1.459 1.00 0.00 O ATOM 0 H SER A 37 -0.061 17.759 -1.786 1.00 0.00 H new ATOM 0 HA SER A 37 -0.759 15.853 0.302 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.755 17.089 0.482 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.573 18.312 0.061 1.00 0.00 H new ATOM 0 HG SER A 37 -3.299 16.964 -1.798 1.00 0.00 H new ATOM 542 N GLY A 38 -0.859 14.545 -2.255 1.00 0.00 N ATOM 543 CA GLY A 38 -1.354 13.514 -3.148 1.00 0.00 C ATOM 544 C GLY A 38 -0.339 12.411 -3.379 1.00 0.00 C ATOM 545 O GLY A 38 -0.489 11.599 -4.291 1.00 0.00 O ATOM 0 H GLY A 38 0.156 14.648 -2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.265 13.084 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.622 13.964 -4.104 1.00 0.00 H new ATOM 549 N THR A 39 0.700 12.383 -2.548 1.00 0.00 N ATOM 550 CA THR A 39 1.744 11.374 -2.668 1.00 0.00 C ATOM 551 C THR A 39 1.353 10.089 -1.947 1.00 0.00 C ATOM 552 O THR A 39 1.039 10.103 -0.757 1.00 0.00 O ATOM 553 CB THR A 39 3.082 11.881 -2.096 1.00 0.00 C ATOM 554 OG1 THR A 39 3.641 12.872 -2.965 1.00 0.00 O ATOM 555 CG2 THR A 39 4.067 10.733 -1.927 1.00 0.00 C ATOM 0 H THR A 39 0.840 13.047 -1.786 1.00 0.00 H new ATOM 0 HA THR A 39 1.864 11.169 -3.732 1.00 0.00 H new ATOM 0 HB THR A 39 2.891 12.322 -1.118 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.562 12.627 -3.191 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.004 11.114 -1.522 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.650 9.994 -1.243 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.253 10.268 -2.895 1.00 0.00 H new ATOM 563 N TYR A 40 1.371 8.978 -2.677 1.00 0.00 N ATOM 564 CA TYR A 40 1.016 7.684 -2.107 1.00 0.00 C ATOM 565 C TYR A 40 2.169 6.695 -2.240 1.00 0.00 C ATOM 566 O TYR A 40 3.025 6.835 -3.114 1.00 0.00 O ATOM 567 CB TYR A 40 -0.231 7.126 -2.796 1.00 0.00 C ATOM 568 CG TYR A 40 0.033 6.591 -4.186 1.00 0.00 C ATOM 569 CD1 TYR A 40 0.155 7.450 -5.271 1.00 0.00 C ATOM 570 CD2 TYR A 40 0.162 5.226 -4.413 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.396 6.966 -6.542 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.404 4.733 -5.681 1.00 0.00 C ATOM 573 CZ TYR A 40 0.520 5.606 -6.742 1.00 0.00 C ATOM 574 OH TYR A 40 0.761 5.120 -8.006 1.00 0.00 O ATOM 0 H TYR A 40 1.628 8.948 -3.664 1.00 0.00 H new ATOM 0 HA TYR A 40 0.805 7.827 -1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.649 6.328 -2.182 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.985 7.911 -2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.060 8.515 -5.118 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.072 4.539 -3.585 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.487 7.648 -7.375 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.502 3.669 -5.840 1.00 0.00 H new ATOM 0 HH TYR A 40 1.073 4.193 -7.946 1.00 0.00 H new ATOM 584 N LEU A 41 2.186 5.695 -1.366 1.00 0.00 N ATOM 585 CA LEU A 41 3.233 4.680 -1.384 1.00 0.00 C ATOM 586 C LEU A 41 2.739 3.375 -0.767 1.00 0.00 C ATOM 587 O LEU A 41 1.752 3.361 -0.031 1.00 0.00 O ATOM 588 CB LEU A 41 4.467 5.179 -0.629 1.00 0.00 C ATOM 589 CG LEU A 41 4.384 5.131 0.898 1.00 0.00 C ATOM 590 CD1 LEU A 41 4.863 3.785 1.416 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.199 6.261 1.511 1.00 0.00 C ATOM 0 H LEU A 41 1.486 5.565 -0.635 1.00 0.00 H new ATOM 0 HA LEU A 41 3.502 4.490 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.326 4.587 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.661 6.208 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 41 3.342 5.260 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.797 3.769 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.238 2.993 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.898 3.626 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.129 6.212 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.242 6.162 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.811 7.219 1.165 1.00 0.00 H new ATOM 603 N ILE A 42 3.433 2.283 -1.070 1.00 0.00 N ATOM 604 CA ILE A 42 3.066 0.975 -0.543 1.00 0.00 C ATOM 605 C ILE A 42 4.289 0.232 -0.015 1.00 0.00 C ATOM 606 O ILE A 42 5.146 -0.200 -0.786 1.00 0.00 O ATOM 607 CB ILE A 42 2.377 0.110 -1.614 1.00 0.00 C ATOM 608 CG1 ILE A 42 0.935 0.577 -1.829 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.408 -1.357 -1.211 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.799 1.651 -2.886 1.00 0.00 C ATOM 0 H ILE A 42 4.252 2.278 -1.678 1.00 0.00 H new ATOM 0 HA ILE A 42 2.368 1.149 0.276 1.00 0.00 H new ATOM 0 HB ILE A 42 2.920 0.221 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.323 -0.279 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.539 0.954 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.917 -1.956 -1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.443 -1.683 -1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.887 -1.485 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.249 1.933 -2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.384 2.524 -2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.164 1.271 -3.840 1.00 0.00 H new ATOM 622 N ARG A 43 4.362 0.086 1.303 1.00 0.00 N ATOM 623 CA ARG A 43 5.480 -0.606 1.934 1.00 0.00 C ATOM 624 C ARG A 43 5.013 -1.895 2.604 1.00 0.00 C ATOM 625 O ARG A 43 3.816 -2.177 2.662 1.00 0.00 O ATOM 626 CB ARG A 43 6.152 0.303 2.966 1.00 0.00 C ATOM 627 CG ARG A 43 5.246 0.685 4.124 1.00 0.00 C ATOM 628 CD ARG A 43 5.943 1.631 5.088 1.00 0.00 C ATOM 629 NE ARG A 43 5.155 1.860 6.297 1.00 0.00 N ATOM 630 CZ ARG A 43 5.060 0.983 7.289 1.00 0.00 C ATOM 631 NH1 ARG A 43 5.700 -0.175 7.219 1.00 0.00 N ATOM 632 NH2 ARG A 43 4.323 1.264 8.356 1.00 0.00 N ATOM 0 H ARG A 43 3.661 0.437 1.955 1.00 0.00 H new ATOM 0 HA ARG A 43 6.202 -0.861 1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.036 -0.199 3.358 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.495 1.211 2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.342 1.157 3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.935 -0.214 4.656 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.914 1.219 5.361 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.129 2.583 4.591 1.00 0.00 H new ATOM 0 HE ARG A 43 4.650 2.742 6.383 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.268 -0.395 6.401 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.625 -0.846 7.983 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.829 2.154 8.414 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.251 0.590 9.118 1.00 0.00 H new ATOM 646 N GLU A 44 5.966 -2.673 3.108 1.00 0.00 N ATOM 647 CA GLU A 44 5.652 -3.932 3.772 1.00 0.00 C ATOM 648 C GLU A 44 5.788 -3.797 5.286 1.00 0.00 C ATOM 649 O GLU A 44 6.629 -3.045 5.780 1.00 0.00 O ATOM 650 CB GLU A 44 6.569 -5.045 3.263 1.00 0.00 C ATOM 651 CG GLU A 44 6.018 -5.784 2.056 1.00 0.00 C ATOM 652 CD GLU A 44 6.459 -5.168 0.742 1.00 0.00 C ATOM 653 OE1 GLU A 44 6.233 -3.954 0.551 1.00 0.00 O ATOM 654 OE2 GLU A 44 7.030 -5.898 -0.094 1.00 0.00 O ATOM 0 H GLU A 44 6.961 -2.453 3.069 1.00 0.00 H new ATOM 0 HA GLU A 44 4.619 -4.189 3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.537 -4.617 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.741 -5.759 4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.343 -6.824 2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.929 -5.788 2.103 1.00 0.00 H new ATOM 661 N ARG A 45 4.955 -4.532 6.017 1.00 0.00 N ATOM 662 CA ARG A 45 4.981 -4.494 7.473 1.00 0.00 C ATOM 663 C ARG A 45 5.417 -5.840 8.046 1.00 0.00 C ATOM 664 O ARG A 45 5.127 -6.900 7.492 1.00 0.00 O ATOM 665 CB ARG A 45 3.602 -4.119 8.020 1.00 0.00 C ATOM 666 CG ARG A 45 3.348 -2.621 8.059 1.00 0.00 C ATOM 667 CD ARG A 45 2.022 -2.297 8.728 1.00 0.00 C ATOM 668 NE ARG A 45 2.163 -2.140 10.173 1.00 0.00 N ATOM 669 CZ ARG A 45 1.195 -1.687 10.961 1.00 0.00 C ATOM 670 NH1 ARG A 45 0.021 -1.347 10.446 1.00 0.00 N ATOM 671 NH2 ARG A 45 1.399 -1.572 12.268 1.00 0.00 N ATOM 0 H ARG A 45 4.254 -5.160 5.624 1.00 0.00 H new ATOM 0 HA ARG A 45 5.704 -3.737 7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.836 -4.593 7.406 1.00 0.00 H new ATOM 0 HB3 ARG A 45 3.498 -4.523 9.027 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.158 -2.128 8.597 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.351 -2.224 7.044 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.615 -1.380 8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.306 -3.091 8.518 1.00 0.00 H new ATOM 0 HE ARG A 45 3.054 -2.392 10.601 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.140 -1.433 9.442 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.721 -0.999 11.053 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.300 -1.832 12.668 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.654 -1.224 12.872 1.00 0.00 H new ATOM 685 N PRO A 46 6.132 -5.797 9.180 1.00 0.00 N ATOM 686 CA PRO A 46 6.624 -7.004 9.851 1.00 0.00 C ATOM 687 C PRO A 46 5.497 -7.820 10.475 1.00 0.00 C ATOM 688 O PRO A 46 4.939 -7.438 11.503 1.00 0.00 O ATOM 689 CB PRO A 46 7.552 -6.453 10.936 1.00 0.00 C ATOM 690 CG PRO A 46 7.045 -5.078 11.206 1.00 0.00 C ATOM 691 CD PRO A 46 6.515 -4.568 9.894 1.00 0.00 C ATOM 0 HA PRO A 46 7.116 -7.685 9.157 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.521 -7.070 11.834 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.588 -6.434 10.598 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.262 -5.092 11.964 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.841 -4.435 11.582 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.663 -3.904 10.036 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.271 -4.004 9.347 1.00 0.00 H new ATOM 699 N ALA A 47 5.170 -8.945 9.849 1.00 0.00 N ATOM 700 CA ALA A 47 4.112 -9.816 10.345 1.00 0.00 C ATOM 701 C ALA A 47 4.094 -11.143 9.594 1.00 0.00 C ATOM 702 O ALA A 47 4.920 -11.377 8.711 1.00 0.00 O ATOM 703 CB ALA A 47 2.762 -9.124 10.230 1.00 0.00 C ATOM 0 H ALA A 47 5.623 -9.275 8.997 1.00 0.00 H new ATOM 0 HA ALA A 47 4.312 -10.027 11.396 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.981 -9.786 10.604 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.772 -8.206 10.818 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.564 -8.883 9.185 1.00 0.00 H new ATOM 709 N GLU A 48 3.150 -12.007 9.951 1.00 0.00 N ATOM 710 CA GLU A 48 3.028 -13.312 9.311 1.00 0.00 C ATOM 711 C GLU A 48 2.101 -13.239 8.101 1.00 0.00 C ATOM 712 O GLU A 48 2.403 -13.783 7.040 1.00 0.00 O ATOM 713 CB GLU A 48 2.504 -14.347 10.307 1.00 0.00 C ATOM 714 CG GLU A 48 2.486 -15.764 9.760 1.00 0.00 C ATOM 715 CD GLU A 48 2.203 -16.800 10.830 1.00 0.00 C ATOM 716 OE1 GLU A 48 1.211 -16.631 11.571 1.00 0.00 O ATOM 717 OE2 GLU A 48 2.972 -17.779 10.928 1.00 0.00 O ATOM 0 H GLU A 48 2.459 -11.828 10.679 1.00 0.00 H new ATOM 0 HA GLU A 48 4.018 -13.616 8.971 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.122 -14.321 11.204 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.494 -14.070 10.608 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.729 -15.838 8.979 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.447 -15.982 9.294 1.00 0.00 H new ATOM 724 N ALA A 49 0.969 -12.562 8.271 1.00 0.00 N ATOM 725 CA ALA A 49 -0.003 -12.417 7.194 1.00 0.00 C ATOM 726 C ALA A 49 -0.004 -10.995 6.644 1.00 0.00 C ATOM 727 O ALA A 49 0.260 -10.777 5.462 1.00 0.00 O ATOM 728 CB ALA A 49 -1.393 -12.797 7.683 1.00 0.00 C ATOM 0 H ALA A 49 0.703 -12.106 9.144 1.00 0.00 H new ATOM 0 HA ALA A 49 0.283 -13.091 6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.109 -12.684 6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.389 -13.833 8.021 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.678 -12.146 8.510 1.00 0.00 H new ATOM 734 N GLU A 50 -0.302 -10.030 7.509 1.00 0.00 N ATOM 735 CA GLU A 50 -0.338 -8.630 7.107 1.00 0.00 C ATOM 736 C GLU A 50 1.056 -8.135 6.730 1.00 0.00 C ATOM 737 O GLU A 50 1.761 -7.548 7.551 1.00 0.00 O ATOM 738 CB GLU A 50 -0.908 -7.767 8.236 1.00 0.00 C ATOM 739 CG GLU A 50 -2.416 -7.594 8.167 1.00 0.00 C ATOM 740 CD GLU A 50 -3.040 -7.362 9.529 1.00 0.00 C ATOM 741 OE1 GLU A 50 -2.525 -6.506 10.280 1.00 0.00 O ATOM 742 OE2 GLU A 50 -4.045 -8.033 9.844 1.00 0.00 O ATOM 0 H GLU A 50 -0.522 -10.193 8.492 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.983 -8.547 6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.646 -8.217 9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.436 -6.785 8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.652 -6.753 7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.859 -8.481 7.715 1.00 0.00 H new ATOM 749 N ARG A 51 1.446 -8.379 5.483 1.00 0.00 N ATOM 750 CA ARG A 51 2.755 -7.960 4.997 1.00 0.00 C ATOM 751 C ARG A 51 2.616 -6.923 3.887 1.00 0.00 C ATOM 752 O ARG A 51 3.295 -7.001 2.862 1.00 0.00 O ATOM 753 CB ARG A 51 3.542 -9.168 4.486 1.00 0.00 C ATOM 754 CG ARG A 51 4.406 -9.826 5.549 1.00 0.00 C ATOM 755 CD ARG A 51 5.764 -9.149 5.660 1.00 0.00 C ATOM 756 NE ARG A 51 6.752 -9.754 4.771 1.00 0.00 N ATOM 757 CZ ARG A 51 7.467 -10.827 5.087 1.00 0.00 C ATOM 758 NH1 ARG A 51 7.305 -11.411 6.266 1.00 0.00 N ATOM 759 NH2 ARG A 51 8.346 -11.318 4.223 1.00 0.00 N ATOM 0 H ARG A 51 0.874 -8.864 4.791 1.00 0.00 H new ATOM 0 HA ARG A 51 3.296 -7.507 5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.843 -9.905 4.090 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.177 -8.853 3.658 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.897 -9.783 6.512 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.542 -10.880 5.308 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.662 -8.090 5.421 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.117 -9.211 6.689 1.00 0.00 H new ATOM 0 HE ARG A 51 6.901 -9.328 3.856 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.630 -11.036 6.932 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.855 -12.235 6.507 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.473 -10.871 3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.895 -12.142 4.467 1.00 0.00 H new ATOM 773 N PHE A 52 1.733 -5.952 4.098 1.00 0.00 N ATOM 774 CA PHE A 52 1.505 -4.900 3.115 1.00 0.00 C ATOM 775 C PHE A 52 0.734 -3.736 3.732 1.00 0.00 C ATOM 776 O PHE A 52 -0.297 -3.932 4.373 1.00 0.00 O ATOM 777 CB PHE A 52 0.737 -5.454 1.913 1.00 0.00 C ATOM 778 CG PHE A 52 1.612 -6.151 0.911 1.00 0.00 C ATOM 779 CD1 PHE A 52 2.774 -5.552 0.452 1.00 0.00 C ATOM 780 CD2 PHE A 52 1.274 -7.405 0.429 1.00 0.00 C ATOM 781 CE1 PHE A 52 3.583 -6.191 -0.469 1.00 0.00 C ATOM 782 CE2 PHE A 52 2.079 -8.048 -0.492 1.00 0.00 C ATOM 783 CZ PHE A 52 3.234 -7.440 -0.943 1.00 0.00 C ATOM 0 H PHE A 52 1.164 -5.872 4.941 1.00 0.00 H new ATOM 0 HA PHE A 52 2.476 -4.534 2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.022 -6.151 2.267 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.213 -4.636 1.419 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.051 -4.574 0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.371 -7.885 0.777 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.487 -5.714 -0.817 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.805 -9.026 -0.859 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.863 -7.940 -1.665 1.00 0.00 H new ATOM 793 N ALA A 53 1.244 -2.526 3.534 1.00 0.00 N ATOM 794 CA ALA A 53 0.605 -1.329 4.069 1.00 0.00 C ATOM 795 C ALA A 53 0.723 -0.161 3.096 1.00 0.00 C ATOM 796 O ALA A 53 1.805 0.124 2.583 1.00 0.00 O ATOM 797 CB ALA A 53 1.215 -0.963 5.414 1.00 0.00 C ATOM 0 H ALA A 53 2.099 -2.348 3.007 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.454 -1.544 4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.729 -0.068 5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.072 -1.786 6.114 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.281 -0.773 5.290 1.00 0.00 H new ATOM 803 N ILE A 54 -0.397 0.510 2.847 1.00 0.00 N ATOM 804 CA ILE A 54 -0.418 1.648 1.936 1.00 0.00 C ATOM 805 C ILE A 54 -0.420 2.966 2.702 1.00 0.00 C ATOM 806 O ILE A 54 -1.297 3.213 3.530 1.00 0.00 O ATOM 807 CB ILE A 54 -1.647 1.604 1.009 1.00 0.00 C ATOM 808 CG1 ILE A 54 -1.805 0.208 0.401 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.523 2.653 -0.086 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.241 -0.159 0.096 1.00 0.00 C ATOM 0 H ILE A 54 -1.301 0.285 3.263 1.00 0.00 H new ATOM 0 HA ILE A 54 0.486 1.584 1.331 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.536 1.826 1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.221 0.152 -0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.388 -0.528 1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.399 2.609 -0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.454 3.643 0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.627 2.459 -0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.277 -1.161 -0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.826 -0.136 1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.656 0.555 -0.615 1.00 0.00 H new ATOM 822 N SER A 55 0.567 3.810 2.419 1.00 0.00 N ATOM 823 CA SER A 55 0.680 5.103 3.083 1.00 0.00 C ATOM 824 C SER A 55 0.523 6.244 2.082 1.00 0.00 C ATOM 825 O SER A 55 1.243 6.313 1.086 1.00 0.00 O ATOM 826 CB SER A 55 2.030 5.218 3.796 1.00 0.00 C ATOM 827 OG SER A 55 1.963 6.141 4.868 1.00 0.00 O ATOM 0 H SER A 55 1.300 3.622 1.735 1.00 0.00 H new ATOM 0 HA SER A 55 -0.120 5.176 3.820 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.331 4.240 4.172 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.794 5.535 3.086 1.00 0.00 H new ATOM 0 HG SER A 55 1.025 6.298 5.106 1.00 0.00 H new ATOM 833 N ILE A 56 -0.424 7.135 2.354 1.00 0.00 N ATOM 834 CA ILE A 56 -0.676 8.273 1.479 1.00 0.00 C ATOM 835 C ILE A 56 -0.718 9.576 2.270 1.00 0.00 C ATOM 836 O ILE A 56 -1.321 9.645 3.342 1.00 0.00 O ATOM 837 CB ILE A 56 -2.000 8.108 0.711 1.00 0.00 C ATOM 838 CG1 ILE A 56 -2.165 6.662 0.237 1.00 0.00 C ATOM 839 CG2 ILE A 56 -2.048 9.066 -0.471 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.783 5.754 1.276 1.00 0.00 C ATOM 0 H ILE A 56 -1.030 7.091 3.174 1.00 0.00 H new ATOM 0 HA ILE A 56 0.147 8.312 0.765 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.825 8.346 1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.785 6.650 -0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.189 6.267 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.990 8.938 -1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.971 10.092 -0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.218 8.855 -1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.870 4.745 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.152 5.736 2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.773 6.125 1.541 1.00 0.00 H new ATOM 852 N LYS A 57 -0.077 10.608 1.733 1.00 0.00 N ATOM 853 CA LYS A 57 -0.043 11.911 2.386 1.00 0.00 C ATOM 854 C LYS A 57 -1.293 12.720 2.053 1.00 0.00 C ATOM 855 O LYS A 57 -1.476 13.160 0.917 1.00 0.00 O ATOM 856 CB LYS A 57 1.206 12.686 1.960 1.00 0.00 C ATOM 857 CG LYS A 57 1.372 14.014 2.678 1.00 0.00 C ATOM 858 CD LYS A 57 1.735 13.817 4.140 1.00 0.00 C ATOM 859 CE LYS A 57 1.685 15.129 4.909 1.00 0.00 C ATOM 860 NZ LYS A 57 1.842 14.919 6.375 1.00 0.00 N ATOM 0 H LYS A 57 0.426 10.567 0.847 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.013 11.748 3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.086 12.070 2.145 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.163 12.866 0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.148 14.600 2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.447 14.586 2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.048 13.102 4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.735 13.389 4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.474 15.790 4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.736 15.629 4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.586 15.791 6.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.220 14.145 6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.830 14.674 6.587 1.00 0.00 H new ATOM 874 N PHE A 58 -2.151 12.913 3.049 1.00 0.00 N ATOM 875 CA PHE A 58 -3.384 13.668 2.861 1.00 0.00 C ATOM 876 C PHE A 58 -3.810 14.346 4.160 1.00 0.00 C ATOM 877 O PHE A 58 -3.876 13.709 5.211 1.00 0.00 O ATOM 878 CB PHE A 58 -4.500 12.749 2.361 1.00 0.00 C ATOM 879 CG PHE A 58 -5.816 13.450 2.177 1.00 0.00 C ATOM 880 CD1 PHE A 58 -6.727 13.524 3.217 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.141 14.033 0.962 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.940 14.167 3.049 1.00 0.00 C ATOM 883 CE2 PHE A 58 -7.351 14.678 0.789 1.00 0.00 C ATOM 884 CZ PHE A 58 -8.252 14.746 1.834 1.00 0.00 C ATOM 0 H PHE A 58 -2.015 12.557 3.995 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.198 14.439 2.114 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.197 12.306 1.412 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.629 11.930 3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.488 13.075 4.170 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.441 13.983 0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.643 14.216 3.867 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.592 15.129 -0.162 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.198 15.250 1.702 1.00 0.00 H new ATOM 894 N ASN A 59 -4.099 15.640 4.080 1.00 0.00 N ATOM 895 CA ASN A 59 -4.518 16.404 5.249 1.00 0.00 C ATOM 896 C ASN A 59 -3.338 16.665 6.180 1.00 0.00 C ATOM 897 O ASN A 59 -3.451 16.518 7.397 1.00 0.00 O ATOM 898 CB ASN A 59 -5.622 15.659 6.002 1.00 0.00 C ATOM 899 CG ASN A 59 -6.572 16.600 6.717 1.00 0.00 C ATOM 900 OD1 ASN A 59 -6.207 17.724 7.061 1.00 0.00 O ATOM 901 ND2 ASN A 59 -7.799 16.145 6.942 1.00 0.00 N ATOM 0 H ASN A 59 -4.051 16.182 3.217 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.906 17.363 4.906 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.185 15.043 5.300 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.170 14.983 6.728 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.482 16.734 7.418 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.058 15.206 6.639 1.00 0.00 H new ATOM 908 N ASP A 60 -2.209 17.053 5.600 1.00 0.00 N ATOM 909 CA ASP A 60 -1.008 17.336 6.377 1.00 0.00 C ATOM 910 C ASP A 60 -0.727 16.215 7.372 1.00 0.00 C ATOM 911 O ASP A 60 -0.183 16.451 8.451 1.00 0.00 O ATOM 912 CB ASP A 60 -1.155 18.667 7.117 1.00 0.00 C ATOM 913 CG ASP A 60 -1.139 19.857 6.178 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.420 19.798 5.158 1.00 0.00 O ATOM 915 OD2 ASP A 60 -1.845 20.847 6.461 1.00 0.00 O ATOM 0 H ASP A 60 -2.100 17.179 4.594 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.167 17.404 5.687 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.088 18.665 7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.346 18.768 7.841 1.00 0.00 H new ATOM 920 N GLU A 61 -1.105 14.994 7.003 1.00 0.00 N ATOM 921 CA GLU A 61 -0.895 13.837 7.865 1.00 0.00 C ATOM 922 C GLU A 61 -0.689 12.572 7.037 1.00 0.00 C ATOM 923 O GLU A 61 -1.437 12.303 6.098 1.00 0.00 O ATOM 924 CB GLU A 61 -2.085 13.655 8.808 1.00 0.00 C ATOM 925 CG GLU A 61 -1.938 14.397 10.126 1.00 0.00 C ATOM 926 CD GLU A 61 -1.263 13.559 11.195 1.00 0.00 C ATOM 927 OE1 GLU A 61 -1.282 12.317 11.075 1.00 0.00 O ATOM 928 OE2 GLU A 61 -0.716 14.148 12.151 1.00 0.00 O ATOM 0 H GLU A 61 -1.558 14.781 6.114 1.00 0.00 H new ATOM 0 HA GLU A 61 0.004 14.013 8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.990 13.998 8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.217 12.592 9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.360 15.307 9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.923 14.704 10.478 1.00 0.00 H new ATOM 935 N VAL A 62 0.333 11.800 7.393 1.00 0.00 N ATOM 936 CA VAL A 62 0.638 10.562 6.684 1.00 0.00 C ATOM 937 C VAL A 62 -0.154 9.392 7.255 1.00 0.00 C ATOM 938 O VAL A 62 0.194 8.843 8.301 1.00 0.00 O ATOM 939 CB VAL A 62 2.142 10.233 6.753 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.410 8.846 6.188 1.00 0.00 C ATOM 941 CG2 VAL A 62 2.951 11.286 6.011 1.00 0.00 C ATOM 0 H VAL A 62 0.963 12.009 8.167 1.00 0.00 H new ATOM 0 HA VAL A 62 0.354 10.715 5.643 1.00 0.00 H new ATOM 0 HB VAL A 62 2.452 10.240 7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.477 8.630 6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.859 8.105 6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.087 8.808 5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.011 11.039 6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.642 11.313 4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.781 12.262 6.465 1.00 0.00 H new ATOM 951 N LYS A 63 -1.222 9.013 6.562 1.00 0.00 N ATOM 952 CA LYS A 63 -2.065 7.906 6.997 1.00 0.00 C ATOM 953 C LYS A 63 -1.489 6.570 6.537 1.00 0.00 C ATOM 954 O LYS A 63 -1.136 6.405 5.368 1.00 0.00 O ATOM 955 CB LYS A 63 -3.486 8.075 6.455 1.00 0.00 C ATOM 956 CG LYS A 63 -4.375 8.933 7.337 1.00 0.00 C ATOM 957 CD LYS A 63 -4.018 10.406 7.225 1.00 0.00 C ATOM 958 CE LYS A 63 -5.232 11.293 7.452 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.844 12.665 7.883 1.00 0.00 N ATOM 0 H LYS A 63 -1.525 9.457 5.695 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.096 7.913 8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.436 8.520 5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.942 7.091 6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.418 8.788 7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.278 8.612 8.374 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.246 10.651 7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.599 10.606 6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.815 11.352 6.533 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.874 10.843 8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.693 13.262 7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.384 12.619 8.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.184 13.073 7.190 1.00 0.00 H new ATOM 973 N HIS A 64 -1.398 5.620 7.462 1.00 0.00 N ATOM 974 CA HIS A 64 -0.867 4.298 7.149 1.00 0.00 C ATOM 975 C HIS A 64 -1.969 3.244 7.200 1.00 0.00 C ATOM 976 O HIS A 64 -2.537 2.976 8.259 1.00 0.00 O ATOM 977 CB HIS A 64 0.251 3.930 8.125 1.00 0.00 C ATOM 978 CG HIS A 64 1.508 4.718 7.920 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.609 4.220 7.255 1.00 0.00 N ATOM 980 CD2 HIS A 64 1.836 5.977 8.295 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.559 5.137 7.231 1.00 0.00 C ATOM 982 NE2 HIS A 64 3.115 6.213 7.856 1.00 0.00 N ATOM 0 H HIS A 64 -1.685 5.741 8.433 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.462 4.327 6.138 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.103 4.084 9.144 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.477 2.868 8.023 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.208 6.667 8.839 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.533 5.026 6.778 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.638 7.079 7.990 1.00 0.00 H new ATOM 991 N ILE A 65 -2.267 2.650 6.049 1.00 0.00 N ATOM 992 CA ILE A 65 -3.301 1.626 5.963 1.00 0.00 C ATOM 993 C ILE A 65 -2.692 0.228 5.988 1.00 0.00 C ATOM 994 O ILE A 65 -1.526 0.040 5.643 1.00 0.00 O ATOM 995 CB ILE A 65 -4.144 1.784 4.684 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.741 3.192 4.611 1.00 0.00 C ATOM 997 CG2 ILE A 65 -5.245 0.734 4.643 1.00 0.00 C ATOM 998 CD1 ILE A 65 -3.879 4.173 3.847 1.00 0.00 C ATOM 0 H ILE A 65 -1.807 2.860 5.163 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.947 1.754 6.832 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.497 1.639 3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.722 3.138 4.139 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.894 3.566 5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.833 0.858 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.800 -0.261 4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.892 0.852 5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.363 5.150 3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.906 4.256 4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.747 3.821 2.824 1.00 0.00 H new ATOM 1010 N LYS A 66 -3.492 -0.752 6.397 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.036 -2.134 6.464 1.00 0.00 C ATOM 1012 C LYS A 66 -3.610 -2.954 5.313 1.00 0.00 C ATOM 1013 O LYS A 66 -4.605 -2.569 4.700 1.00 0.00 O ATOM 1014 CB LYS A 66 -3.438 -2.761 7.801 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.926 -2.670 8.093 1.00 0.00 C ATOM 1016 CD LYS A 66 -5.390 -3.806 8.988 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.680 -5.066 8.185 1.00 0.00 C ATOM 1018 NZ LYS A 66 -6.667 -5.945 8.870 1.00 0.00 N ATOM 0 H LYS A 66 -4.460 -0.613 6.687 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.949 -2.136 6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.139 -3.809 7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.888 -2.269 8.603 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.146 -1.716 8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.483 -2.693 7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.625 -4.018 9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.287 -3.502 9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.060 -4.790 7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.753 -5.616 8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.299 -6.917 8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.829 -5.598 9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.564 -5.935 8.344 1.00 0.00 H new ATOM 1032 N VAL A 67 -2.976 -4.086 5.026 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.426 -4.962 3.949 1.00 0.00 C ATOM 1034 C VAL A 67 -3.431 -6.420 4.393 1.00 0.00 C ATOM 1035 O VAL A 67 -2.402 -7.094 4.362 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.535 -4.820 2.700 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.005 -5.759 1.600 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.525 -3.378 2.215 1.00 0.00 C ATOM 0 H VAL A 67 -2.150 -4.419 5.523 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.442 -4.658 3.697 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.515 -5.096 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.364 -5.645 0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.955 -6.789 1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.033 -5.518 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.891 -3.295 1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.540 -3.072 1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.137 -2.732 3.002 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.600 -6.903 4.807 1.00 0.00 N ATOM 1049 CA VAL A 68 -4.741 -8.282 5.256 1.00 0.00 C ATOM 1050 C VAL A 68 -4.876 -9.234 4.073 1.00 0.00 C ATOM 1051 O VAL A 68 -5.267 -8.829 2.979 1.00 0.00 O ATOM 1052 CB VAL A 68 -5.963 -8.450 6.179 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -7.252 -8.398 5.372 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -5.866 -9.752 6.959 1.00 0.00 C ATOM 0 H VAL A 68 -5.462 -6.359 4.840 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.837 -8.527 5.814 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.974 -7.626 6.892 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.105 -8.518 6.040 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.323 -7.437 4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.252 -9.201 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.737 -9.854 7.606 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.830 -10.591 6.264 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.961 -9.745 7.567 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.549 -10.503 4.301 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.634 -11.513 3.252 1.00 0.00 C ATOM 1066 C GLU A 69 -5.301 -12.783 3.773 1.00 0.00 C ATOM 1067 O GLU A 69 -4.682 -13.576 4.482 1.00 0.00 O ATOM 1068 CB GLU A 69 -3.239 -11.840 2.714 1.00 0.00 C ATOM 1069 CG GLU A 69 -3.232 -12.248 1.251 1.00 0.00 C ATOM 1070 CD GLU A 69 -2.122 -13.228 0.924 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -0.939 -12.848 1.052 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -2.435 -14.374 0.540 1.00 0.00 O ATOM 0 H GLU A 69 -4.223 -10.855 5.201 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.242 -11.110 2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.596 -10.970 2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.809 -12.645 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.193 -12.696 0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.121 -11.359 0.630 1.00 0.00 H new ATOM 1079 N LYS A 70 -6.567 -12.968 3.417 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.320 -14.140 3.847 1.00 0.00 C ATOM 1081 C LYS A 70 -8.163 -14.694 2.703 1.00 0.00 C ATOM 1082 O LYS A 70 -8.602 -13.951 1.825 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.220 -13.788 5.033 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.714 -15.001 5.803 1.00 0.00 C ATOM 1085 CD LYS A 70 -9.367 -14.599 7.115 1.00 0.00 C ATOM 1086 CE LYS A 70 -8.335 -14.417 8.218 1.00 0.00 C ATOM 1087 NZ LYS A 70 -7.783 -15.720 8.681 1.00 0.00 N ATOM 0 H LYS A 70 -7.094 -12.320 2.831 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.607 -14.905 4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.672 -13.135 5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.079 -13.223 4.671 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.429 -15.554 5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.879 -15.672 6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.922 -13.671 6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.088 -15.360 7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.523 -13.787 7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.791 -13.896 9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.301 -15.588 9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.558 -16.405 8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.104 -16.078 7.980 1.00 0.00 H new ATOM 1101 N ASP A 71 -8.387 -16.004 2.719 1.00 0.00 N ATOM 1102 CA ASP A 71 -9.180 -16.657 1.685 1.00 0.00 C ATOM 1103 C ASP A 71 -8.589 -16.398 0.302 1.00 0.00 C ATOM 1104 O ASP A 71 -9.295 -16.445 -0.704 1.00 0.00 O ATOM 1105 CB ASP A 71 -10.627 -16.165 1.734 1.00 0.00 C ATOM 1106 CG ASP A 71 -11.444 -16.878 2.794 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -11.469 -16.399 3.947 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -12.060 -17.915 2.470 1.00 0.00 O ATOM 0 H ASP A 71 -8.030 -16.634 3.437 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.163 -17.730 1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.637 -15.093 1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.092 -16.314 0.759 1.00 0.00 H new ATOM 1113 N ASN A 72 -7.288 -16.124 0.262 1.00 0.00 N ATOM 1114 CA ASN A 72 -6.603 -15.856 -0.997 1.00 0.00 C ATOM 1115 C ASN A 72 -7.033 -14.511 -1.574 1.00 0.00 C ATOM 1116 O ASN A 72 -7.070 -14.329 -2.791 1.00 0.00 O ATOM 1117 CB ASN A 72 -6.889 -16.971 -2.005 1.00 0.00 C ATOM 1118 CG ASN A 72 -6.696 -18.353 -1.410 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -5.577 -18.749 -1.082 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -7.789 -19.093 -1.267 1.00 0.00 N ATOM 0 H ASN A 72 -6.688 -16.082 1.086 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.532 -15.821 -0.799 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.912 -16.875 -2.368 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.232 -16.855 -2.867 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.722 -20.031 -0.871 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.696 -18.724 -1.553 1.00 0.00 H new ATOM 1127 N TRP A 73 -7.357 -13.571 -0.693 1.00 0.00 N ATOM 1128 CA TRP A 73 -7.783 -12.242 -1.114 1.00 0.00 C ATOM 1129 C TRP A 73 -6.983 -11.160 -0.398 1.00 0.00 C ATOM 1130 O TRP A 73 -6.198 -11.453 0.505 1.00 0.00 O ATOM 1131 CB TRP A 73 -9.277 -12.054 -0.844 1.00 0.00 C ATOM 1132 CG TRP A 73 -10.149 -12.533 -1.966 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -10.450 -13.830 -2.272 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -10.829 -11.722 -2.930 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -11.278 -13.873 -3.368 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -11.525 -12.594 -3.790 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -10.920 -10.346 -3.148 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -12.299 -12.131 -4.850 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -11.688 -9.887 -4.202 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -12.370 -10.778 -5.041 1.00 0.00 C ATOM 0 H TRP A 73 -7.333 -13.705 0.318 1.00 0.00 H new ATOM 0 HA TRP A 73 -7.600 -12.152 -2.185 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.544 -12.588 0.068 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.476 -10.998 -0.664 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.090 -14.694 -1.732 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.649 -14.721 -3.798 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -10.400 -9.652 -2.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.825 -12.816 -5.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -11.763 -8.825 -4.381 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -12.964 -10.389 -5.855 1.00 0.00 H new ATOM 1151 N ILE A 74 -7.188 -9.912 -0.803 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.486 -8.788 -0.197 1.00 0.00 C ATOM 1153 C ILE A 74 -7.421 -7.599 0.003 1.00 0.00 C ATOM 1154 O ILE A 74 -7.911 -7.012 -0.962 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.287 -8.344 -1.055 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.036 -9.137 -0.671 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -5.044 -6.850 -0.895 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -3.073 -9.340 -1.819 1.00 0.00 C ATOM 0 H ILE A 74 -7.835 -9.653 -1.548 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.122 -9.129 0.772 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.515 -8.545 -2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.521 -8.618 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.337 -10.110 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.193 -6.552 -1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.930 -6.301 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.834 -6.625 0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.210 -9.910 -1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.572 -9.886 -2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.742 -8.371 -2.192 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.662 -7.249 1.261 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.537 -6.129 1.588 1.00 0.00 C ATOM 1172 C HIS A 75 -7.951 -5.294 2.724 1.00 0.00 C ATOM 1173 O HIS A 75 -6.904 -5.632 3.278 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.926 -6.634 1.978 1.00 0.00 C ATOM 1175 CG HIS A 75 -10.034 -7.044 3.415 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -10.200 -8.353 3.814 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -9.996 -6.307 4.550 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -10.262 -8.404 5.133 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -10.139 -7.177 5.604 1.00 0.00 N ATOM 0 H HIS A 75 -7.264 -7.724 2.071 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.623 -5.499 0.703 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.658 -5.852 1.776 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.185 -7.483 1.346 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -9.876 -5.236 4.615 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.391 -9.298 5.725 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -10.149 -6.917 6.590 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.630 -4.204 3.063 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.175 -3.322 4.131 1.00 0.00 C ATOM 1190 C ILE A 76 -9.338 -2.889 5.019 1.00 0.00 C ATOM 1191 O ILE A 76 -10.464 -2.724 4.549 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.478 -2.069 3.569 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.489 -1.181 2.841 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.345 -2.468 2.636 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -7.939 0.178 2.467 1.00 0.00 C ATOM 0 H ILE A 76 -9.497 -3.910 2.614 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.459 -3.889 4.725 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.056 -1.502 4.398 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.823 -1.690 1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.366 -1.048 3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.862 -1.572 2.247 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.616 -3.065 3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.745 -3.054 1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.710 0.754 1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.631 0.707 3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.080 0.054 1.808 1.00 0.00 H new ATOM 1207 N THR A 77 -9.057 -2.705 6.305 1.00 0.00 N ATOM 1208 CA THR A 77 -10.078 -2.290 7.258 1.00 0.00 C ATOM 1209 C THR A 77 -11.446 -2.840 6.873 1.00 0.00 C ATOM 1210 O THR A 77 -12.466 -2.179 7.062 1.00 0.00 O ATOM 1211 CB THR A 77 -10.163 -0.755 7.357 1.00 0.00 C ATOM 1212 OG1 THR A 77 -10.678 -0.375 8.638 1.00 0.00 O ATOM 1213 CG2 THR A 77 -11.054 -0.191 6.260 1.00 0.00 C ATOM 0 H THR A 77 -8.130 -2.837 6.710 1.00 0.00 H new ATOM 0 HA THR A 77 -9.788 -2.694 8.228 1.00 0.00 H new ATOM 0 HB THR A 77 -9.159 -0.349 7.234 1.00 0.00 H new ATOM 0 HG1 THR A 77 -11.542 -0.813 8.786 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.099 0.894 6.350 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.645 -0.458 5.286 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.058 -0.605 6.358 1.00 0.00 H new ATOM 1221 N GLU A 78 -11.459 -4.055 6.332 1.00 0.00 N ATOM 1222 CA GLU A 78 -12.704 -4.694 5.920 1.00 0.00 C ATOM 1223 C GLU A 78 -13.601 -3.708 5.177 1.00 0.00 C ATOM 1224 O GLU A 78 -14.778 -3.556 5.502 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.443 -5.254 7.138 1.00 0.00 C ATOM 1226 CG GLU A 78 -12.774 -6.474 7.747 1.00 0.00 C ATOM 1227 CD GLU A 78 -13.726 -7.304 8.586 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -14.825 -7.628 8.090 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -13.372 -7.629 9.739 1.00 0.00 O ATOM 0 H GLU A 78 -10.623 -4.616 6.169 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.456 -5.514 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.519 -4.475 7.897 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.460 -5.515 6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.363 -7.094 6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.936 -6.153 8.366 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.035 -3.040 4.177 1.00 0.00 N ATOM 1237 CA ALA A 79 -13.782 -2.070 3.386 1.00 0.00 C ATOM 1238 C ALA A 79 -14.170 -2.650 2.030 1.00 0.00 C ATOM 1239 O ALA A 79 -15.250 -2.369 1.509 1.00 0.00 O ATOM 1240 CB ALA A 79 -12.968 -0.797 3.204 1.00 0.00 C ATOM 0 H ALA A 79 -12.061 -3.153 3.896 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.698 -1.828 3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.539 -0.082 2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.746 -0.364 4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.036 -1.032 2.691 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.284 -3.461 1.463 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.534 -4.083 0.167 1.00 0.00 C ATOM 1248 C LYS A 80 -12.422 -5.064 -0.189 1.00 0.00 C ATOM 1249 O LYS A 80 -11.238 -4.748 -0.066 1.00 0.00 O ATOM 1250 CB LYS A 80 -13.653 -3.012 -0.920 1.00 0.00 C ATOM 1251 CG LYS A 80 -13.679 -3.577 -2.330 1.00 0.00 C ATOM 1252 CD LYS A 80 -15.099 -3.850 -2.795 1.00 0.00 C ATOM 1253 CE LYS A 80 -15.696 -2.640 -3.497 1.00 0.00 C ATOM 1254 NZ LYS A 80 -16.412 -1.744 -2.546 1.00 0.00 N ATOM 0 H LYS A 80 -12.385 -3.704 1.880 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.473 -4.634 0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.562 -2.435 -0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.815 -2.320 -0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.200 -2.875 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.100 -4.500 -2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.104 -4.704 -3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.718 -4.118 -1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.904 -2.082 -3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.387 -2.974 -4.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.075 -1.139 -3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.939 -2.318 -1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.723 -1.149 -2.044 1.00 0.00 H new ATOM 1268 N LYS A 81 -12.809 -6.255 -0.632 1.00 0.00 N ATOM 1269 CA LYS A 81 -11.846 -7.282 -1.009 1.00 0.00 C ATOM 1270 C LYS A 81 -11.502 -7.186 -2.493 1.00 0.00 C ATOM 1271 O LYS A 81 -12.381 -6.993 -3.332 1.00 0.00 O ATOM 1272 CB LYS A 81 -12.401 -8.672 -0.692 1.00 0.00 C ATOM 1273 CG LYS A 81 -13.234 -8.720 0.578 1.00 0.00 C ATOM 1274 CD LYS A 81 -12.381 -9.043 1.792 1.00 0.00 C ATOM 1275 CE LYS A 81 -13.218 -9.617 2.925 1.00 0.00 C ATOM 1276 NZ LYS A 81 -12.414 -10.493 3.820 1.00 0.00 N ATOM 0 H LYS A 81 -13.785 -6.533 -0.739 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.936 -7.121 -0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.011 -9.010 -1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.571 -9.373 -0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.730 -7.761 0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.017 -9.471 0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.606 -9.757 1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.875 -8.140 2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.650 -8.802 3.506 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.049 -10.187 2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.667 -10.303 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.610 -11.490 3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.402 -10.299 3.678 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.219 -7.325 -2.808 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.759 -7.255 -4.190 1.00 0.00 C ATOM 1292 C PHE A 82 -8.903 -8.470 -4.540 1.00 0.00 C ATOM 1293 O PHE A 82 -8.109 -8.939 -3.725 1.00 0.00 O ATOM 1294 CB PHE A 82 -8.960 -5.971 -4.419 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.817 -4.742 -4.514 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.735 -4.598 -5.542 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.705 -3.728 -3.575 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.525 -3.467 -5.632 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.492 -2.595 -3.661 1.00 0.00 C ATOM 1300 CZ PHE A 82 -11.403 -2.465 -4.689 1.00 0.00 C ATOM 0 H PHE A 82 -9.479 -7.487 -2.125 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.635 -7.250 -4.839 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.247 -5.845 -3.604 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.380 -6.072 -5.336 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.835 -5.379 -6.282 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.995 -3.825 -2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.236 -3.367 -6.438 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.394 -1.812 -2.924 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.020 -1.581 -4.756 1.00 0.00 H new ATOM 1310 N ASP A 83 -9.072 -8.973 -5.758 1.00 0.00 N ATOM 1311 CA ASP A 83 -8.315 -10.131 -6.218 1.00 0.00 C ATOM 1312 C ASP A 83 -6.888 -10.097 -5.681 1.00 0.00 C ATOM 1313 O ASP A 83 -6.316 -11.133 -5.341 1.00 0.00 O ATOM 1314 CB ASP A 83 -8.297 -10.180 -7.746 1.00 0.00 C ATOM 1315 CG ASP A 83 -7.809 -11.516 -8.276 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -6.763 -11.997 -7.795 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -8.473 -12.076 -9.173 1.00 0.00 O ATOM 0 H ASP A 83 -9.726 -8.597 -6.444 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.805 -11.028 -5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.301 -9.986 -8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.654 -9.385 -8.125 1.00 0.00 H new ATOM 1322 N SER A 84 -6.317 -8.898 -5.608 1.00 0.00 N ATOM 1323 CA SER A 84 -4.954 -8.729 -5.117 1.00 0.00 C ATOM 1324 C SER A 84 -4.670 -7.264 -4.799 1.00 0.00 C ATOM 1325 O SER A 84 -5.550 -6.410 -4.911 1.00 0.00 O ATOM 1326 CB SER A 84 -3.950 -9.244 -6.150 1.00 0.00 C ATOM 1327 OG SER A 84 -3.845 -10.656 -6.100 1.00 0.00 O ATOM 0 H SER A 84 -6.777 -8.030 -5.883 1.00 0.00 H new ATOM 0 HA SER A 84 -4.849 -9.309 -4.200 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.260 -8.934 -7.148 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.973 -8.797 -5.966 1.00 0.00 H new ATOM 0 HG SER A 84 -4.541 -11.015 -5.510 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.434 -6.981 -4.402 1.00 0.00 N ATOM 1334 CA LEU A 85 -3.030 -5.621 -4.067 1.00 0.00 C ATOM 1335 C LEU A 85 -3.159 -4.701 -5.278 1.00 0.00 C ATOM 1336 O LEU A 85 -3.826 -3.668 -5.218 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.591 -5.606 -3.552 1.00 0.00 C ATOM 1338 CG LEU A 85 -1.015 -4.232 -3.204 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.696 -3.667 -1.968 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.489 -4.322 -2.994 1.00 0.00 C ATOM 0 H LEU A 85 -2.694 -7.676 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.693 -5.255 -3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.538 -6.235 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.952 -6.065 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.204 -3.557 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.274 -2.689 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.765 -3.565 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.538 -4.341 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.882 -3.336 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.702 -5.012 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.963 -4.683 -3.907 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.517 -5.085 -6.375 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.561 -4.297 -7.603 1.00 0.00 C ATOM 1354 C LEU A 86 -3.957 -3.730 -7.836 1.00 0.00 C ATOM 1355 O LEU A 86 -4.125 -2.525 -8.023 1.00 0.00 O ATOM 1356 CB LEU A 86 -2.140 -5.154 -8.798 1.00 0.00 C ATOM 1357 CG LEU A 86 -2.152 -4.458 -10.159 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -1.285 -3.209 -10.130 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.681 -5.410 -11.249 1.00 0.00 C ATOM 0 H LEU A 86 -1.960 -5.937 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.864 -3.466 -7.497 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.134 -5.530 -8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.800 -6.020 -8.849 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.176 -4.159 -10.382 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.307 -2.728 -11.108 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.666 -2.519 -9.378 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.259 -3.484 -9.884 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.696 -4.898 -12.211 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.666 -5.740 -11.030 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.344 -6.275 -11.288 1.00 0.00 H new ATOM 1371 N GLU A 87 -4.957 -4.607 -7.822 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.338 -4.193 -8.031 1.00 0.00 C ATOM 1373 C GLU A 87 -6.746 -3.125 -7.020 1.00 0.00 C ATOM 1374 O GLU A 87 -7.259 -2.067 -7.388 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.278 -5.396 -7.924 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.326 -6.244 -9.183 1.00 0.00 C ATOM 1377 CD GLU A 87 -6.261 -7.323 -9.201 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -5.173 -7.092 -8.632 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -6.516 -8.399 -9.782 1.00 0.00 O ATOM 0 H GLU A 87 -4.835 -5.608 -7.668 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.414 -3.769 -9.032 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.962 -6.020 -7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.283 -5.042 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.309 -6.708 -9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.201 -5.601 -10.054 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.513 -3.409 -5.743 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.855 -2.474 -4.677 1.00 0.00 C ATOM 1388 C LEU A 88 -6.271 -1.092 -4.955 1.00 0.00 C ATOM 1389 O LEU A 88 -6.956 -0.078 -4.822 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.345 -2.994 -3.332 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.512 -2.050 -2.140 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.712 -2.842 -0.856 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.308 -1.127 -2.017 1.00 0.00 C ATOM 0 H LEU A 88 -6.089 -4.279 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.941 -2.388 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.862 -3.927 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.287 -3.233 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.398 -1.438 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.829 -2.154 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.605 -3.460 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.845 -3.480 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.445 -0.463 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.406 -1.722 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.210 -0.534 -2.926 1.00 0.00 H new ATOM 1405 N VAL A 89 -5.001 -1.060 -5.346 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.325 0.196 -5.647 1.00 0.00 C ATOM 1407 C VAL A 89 -4.979 0.902 -6.829 1.00 0.00 C ATOM 1408 O VAL A 89 -5.315 2.083 -6.751 1.00 0.00 O ATOM 1409 CB VAL A 89 -2.834 -0.030 -5.958 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.164 1.280 -6.344 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.132 -0.667 -4.768 1.00 0.00 C ATOM 0 H VAL A 89 -4.420 -1.890 -5.462 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.412 0.823 -4.760 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.757 -0.713 -6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.111 1.100 -6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.651 1.691 -7.228 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.249 1.989 -5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.079 -0.819 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.217 -0.011 -3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.596 -1.627 -4.543 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.155 0.169 -7.925 1.00 0.00 N ATOM 1422 CA GLU A 90 -5.770 0.726 -9.124 1.00 0.00 C ATOM 1423 C GLU A 90 -7.180 1.230 -8.831 1.00 0.00 C ATOM 1424 O GLU A 90 -7.612 2.249 -9.370 1.00 0.00 O ATOM 1425 CB GLU A 90 -5.813 -0.324 -10.237 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.475 -0.536 -10.925 1.00 0.00 C ATOM 1427 CD GLU A 90 -4.619 -1.150 -12.304 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -4.711 -2.392 -12.394 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -4.642 -0.388 -13.293 1.00 0.00 O ATOM 0 H GLU A 90 -4.881 -0.810 -8.007 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.163 1.570 -9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.151 -1.272 -9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.551 -0.023 -10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.958 0.420 -11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.851 -1.182 -10.307 1.00 0.00 H new ATOM 1436 N TYR A 91 -7.893 0.508 -7.973 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.255 0.878 -7.609 1.00 0.00 C ATOM 1438 C TYR A 91 -9.298 2.285 -7.019 1.00 0.00 C ATOM 1439 O TYR A 91 -10.059 3.139 -7.475 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.829 -0.125 -6.607 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.220 0.225 -6.128 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -12.343 -0.203 -6.824 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -11.410 0.985 -4.981 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.616 0.115 -6.391 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -12.679 1.307 -4.540 1.00 0.00 C ATOM 1446 CZ TYR A 91 -13.778 0.870 -5.248 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.045 1.189 -4.813 1.00 0.00 O ATOM 0 H TYR A 91 -7.550 -0.337 -7.517 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.862 0.864 -8.514 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.850 -1.113 -7.067 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.163 -0.188 -5.747 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -12.219 -0.795 -7.719 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.551 1.330 -4.424 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.479 -0.225 -6.944 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -12.809 1.898 -3.645 1.00 0.00 H new ATOM 0 HH TYR A 91 -14.985 1.724 -3.994 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.475 2.518 -6.003 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.418 3.819 -5.348 1.00 0.00 C ATOM 1459 C TYR A 92 -7.755 4.856 -6.250 1.00 0.00 C ATOM 1460 O TYR A 92 -8.092 6.038 -6.207 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.657 3.716 -4.025 1.00 0.00 C ATOM 1462 CG TYR A 92 -8.371 2.890 -2.978 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.716 3.100 -2.699 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.700 1.901 -2.270 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -10.371 2.349 -1.743 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -8.349 1.144 -1.313 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.684 1.371 -1.053 1.00 0.00 C ATOM 1468 OH TYR A 92 -10.334 0.621 -0.101 1.00 0.00 O ATOM 0 H TYR A 92 -7.838 1.822 -5.615 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.440 4.140 -5.147 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.676 3.280 -4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.490 4.719 -3.633 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.258 3.863 -3.238 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.654 1.721 -2.471 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.416 2.526 -1.536 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.813 0.378 -0.771 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.269 0.908 -0.041 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.810 4.400 -7.066 1.00 0.00 N ATOM 1479 CA GLN A 93 -6.098 5.287 -7.979 1.00 0.00 C ATOM 1480 C GLN A 93 -7.065 6.230 -8.687 1.00 0.00 C ATOM 1481 O GLN A 93 -6.685 7.324 -9.106 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.317 4.471 -9.011 1.00 0.00 C ATOM 1483 CG GLN A 93 -3.899 4.135 -8.575 1.00 0.00 C ATOM 1484 CD GLN A 93 -3.128 3.373 -9.633 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -3.609 3.181 -10.751 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -1.925 2.930 -9.286 1.00 0.00 N ATOM 0 H GLN A 93 -6.520 3.423 -7.114 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.399 5.884 -7.393 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.855 3.545 -9.212 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.278 5.027 -9.948 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.368 5.057 -8.338 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.935 3.543 -7.660 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.565 3.112 -8.349 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.361 2.408 -9.957 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.316 5.800 -8.816 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.337 6.606 -9.474 1.00 0.00 C ATOM 1497 C CYS A 94 -10.477 6.930 -8.513 1.00 0.00 C ATOM 1498 O CYS A 94 -11.085 7.998 -8.592 1.00 0.00 O ATOM 1499 CB CYS A 94 -9.882 5.874 -10.701 1.00 0.00 C ATOM 1500 SG CYS A 94 -8.774 5.902 -12.130 1.00 0.00 S ATOM 0 H CYS A 94 -8.647 4.898 -8.473 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.877 7.541 -9.792 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -10.085 4.837 -10.432 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.835 6.322 -10.984 1.00 0.00 H new ATOM 0 HG CYS A 94 -9.321 5.256 -13.116 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.762 6.001 -7.607 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.829 6.187 -6.631 1.00 0.00 C ATOM 1508 C HIS A 95 -11.268 6.682 -5.301 1.00 0.00 C ATOM 1509 O HIS A 95 -10.329 6.101 -4.757 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.592 4.878 -6.421 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.643 4.013 -7.642 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.508 2.642 -7.598 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.817 4.331 -8.946 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.595 2.154 -8.823 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.784 3.158 -9.659 1.00 0.00 N ATOM 0 H HIS A 95 -10.269 5.112 -7.528 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.515 6.940 -7.019 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -12.124 4.320 -5.610 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.610 5.107 -6.105 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.364 2.090 -6.752 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.956 5.323 -9.350 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.524 1.111 -9.094 1.00 0.00 H new ATOM 1524 N SER A 96 -11.851 7.758 -4.782 1.00 0.00 N ATOM 1525 CA SER A 96 -11.406 8.334 -3.518 1.00 0.00 C ATOM 1526 C SER A 96 -11.367 7.273 -2.422 1.00 0.00 C ATOM 1527 O SER A 96 -12.127 6.304 -2.452 1.00 0.00 O ATOM 1528 CB SER A 96 -12.330 9.480 -3.103 1.00 0.00 C ATOM 1529 OG SER A 96 -11.840 10.137 -1.947 1.00 0.00 O ATOM 0 H SER A 96 -12.632 8.248 -5.217 1.00 0.00 H new ATOM 0 HA SER A 96 -10.398 8.723 -3.658 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.418 10.195 -3.921 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.330 9.093 -2.909 1.00 0.00 H new ATOM 0 HG SER A 96 -12.447 10.866 -1.703 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.477 7.464 -1.455 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.336 6.525 -0.348 1.00 0.00 C ATOM 1537 C LEU A 97 -11.310 6.861 0.778 1.00 0.00 C ATOM 1538 O LEU A 97 -11.117 6.451 1.922 1.00 0.00 O ATOM 1539 CB LEU A 97 -8.902 6.539 0.181 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.929 5.568 -0.488 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.507 6.102 -0.416 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -8.019 4.193 0.158 1.00 0.00 C ATOM 0 H LEU A 97 -9.842 8.261 -1.415 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.568 5.527 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.507 7.549 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.928 6.318 1.248 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.206 5.472 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.829 5.397 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.453 7.064 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.218 6.228 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.320 3.515 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.769 4.271 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.033 3.807 0.052 1.00 0.00 H new ATOM 1554 N LYS A 98 -12.356 7.609 0.445 1.00 0.00 N ATOM 1555 CA LYS A 98 -13.361 7.999 1.426 1.00 0.00 C ATOM 1556 C LYS A 98 -14.211 6.802 1.838 1.00 0.00 C ATOM 1557 O LYS A 98 -14.593 6.671 3.000 1.00 0.00 O ATOM 1558 CB LYS A 98 -14.257 9.102 0.857 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.403 8.579 0.008 1.00 0.00 C ATOM 1560 CD LYS A 98 -16.249 9.713 -0.545 1.00 0.00 C ATOM 1561 CE LYS A 98 -17.648 9.238 -0.908 1.00 0.00 C ATOM 1562 NZ LYS A 98 -18.391 10.256 -1.701 1.00 0.00 N ATOM 0 H LYS A 98 -12.530 7.958 -0.498 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.845 8.377 2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.665 9.688 1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.649 9.778 0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -15.006 7.985 -0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.028 7.916 0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.315 10.513 0.193 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.766 10.132 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.580 8.312 -1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -18.202 9.012 0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.339 9.895 -1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.478 11.132 -1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -17.875 10.454 -2.582 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.504 5.930 0.878 1.00 0.00 N ATOM 1577 CA GLU A 99 -15.309 4.744 1.142 1.00 0.00 C ATOM 1578 C GLU A 99 -14.762 3.971 2.340 1.00 0.00 C ATOM 1579 O GLU A 99 -15.521 3.483 3.176 1.00 0.00 O ATOM 1580 CB GLU A 99 -15.343 3.837 -0.089 1.00 0.00 C ATOM 1581 CG GLU A 99 -15.817 4.541 -1.350 1.00 0.00 C ATOM 1582 CD GLU A 99 -17.311 4.803 -1.346 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -18.036 4.095 -0.617 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -17.754 5.716 -2.073 1.00 0.00 O ATOM 0 H GLU A 99 -14.195 6.023 -0.090 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.323 5.070 1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -14.345 3.434 -0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.998 2.990 0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.286 5.487 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -15.561 3.934 -2.218 1.00 0.00 H new ATOM 1591 N SER A 100 -13.439 3.867 2.415 1.00 0.00 N ATOM 1592 CA SER A 100 -12.790 3.151 3.507 1.00 0.00 C ATOM 1593 C SER A 100 -12.608 4.059 4.719 1.00 0.00 C ATOM 1594 O SER A 100 -13.019 3.719 5.830 1.00 0.00 O ATOM 1595 CB SER A 100 -11.432 2.609 3.054 1.00 0.00 C ATOM 1596 OG SER A 100 -11.583 1.666 2.006 1.00 0.00 O ATOM 0 H SER A 100 -12.796 4.269 1.733 1.00 0.00 H new ATOM 0 HA SER A 100 -13.430 2.316 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 100 -10.802 3.433 2.718 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.924 2.142 3.897 1.00 0.00 H new ATOM 0 HG SER A 100 -10.717 1.517 1.572 1.00 0.00 H new ATOM 1602 N PHE A 101 -11.991 5.214 4.499 1.00 0.00 N ATOM 1603 CA PHE A 101 -11.754 6.172 5.572 1.00 0.00 C ATOM 1604 C PHE A 101 -12.435 7.505 5.273 1.00 0.00 C ATOM 1605 O PHE A 101 -12.065 8.207 4.332 1.00 0.00 O ATOM 1606 CB PHE A 101 -10.252 6.387 5.770 1.00 0.00 C ATOM 1607 CG PHE A 101 -9.488 5.112 5.990 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -9.016 4.377 4.915 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -9.242 4.650 7.273 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -8.312 3.204 5.115 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -8.538 3.478 7.479 1.00 0.00 C ATOM 1612 CZ PHE A 101 -8.074 2.754 6.398 1.00 0.00 C ATOM 0 H PHE A 101 -11.645 5.510 3.586 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.180 5.765 6.489 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -9.848 6.897 4.896 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.097 7.046 6.624 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.200 4.724 3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.604 5.212 8.121 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.949 2.640 4.268 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -8.351 3.129 8.484 1.00 0.00 H new ATOM 0 HZ PHE A 101 -7.526 1.837 6.556 1.00 0.00 H new ATOM 1622 N LYS A 102 -13.433 7.846 6.081 1.00 0.00 N ATOM 1623 CA LYS A 102 -14.167 9.093 5.905 1.00 0.00 C ATOM 1624 C LYS A 102 -13.240 10.296 6.054 1.00 0.00 C ATOM 1625 O LYS A 102 -13.364 11.280 5.326 1.00 0.00 O ATOM 1626 CB LYS A 102 -15.308 9.185 6.921 1.00 0.00 C ATOM 1627 CG LYS A 102 -15.580 10.600 7.403 1.00 0.00 C ATOM 1628 CD LYS A 102 -16.137 11.471 6.289 1.00 0.00 C ATOM 1629 CE LYS A 102 -17.641 11.289 6.140 1.00 0.00 C ATOM 1630 NZ LYS A 102 -18.171 12.014 4.952 1.00 0.00 N ATOM 0 H LYS A 102 -13.752 7.276 6.864 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.584 9.101 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.216 8.782 6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -15.070 8.557 7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -16.286 10.573 8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.658 11.039 7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -15.915 12.517 6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -15.644 11.222 5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -17.872 10.227 6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -18.142 11.649 7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -19.198 11.866 4.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -17.973 13.030 5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -17.712 11.653 4.092 1.00 0.00 H new ATOM 1644 N GLN A 103 -12.311 10.207 7.001 1.00 0.00 N ATOM 1645 CA GLN A 103 -11.363 11.288 7.244 1.00 0.00 C ATOM 1646 C GLN A 103 -10.398 11.438 6.073 1.00 0.00 C ATOM 1647 O GLN A 103 -9.786 12.492 5.891 1.00 0.00 O ATOM 1648 CB GLN A 103 -10.583 11.030 8.534 1.00 0.00 C ATOM 1649 CG GLN A 103 -11.256 11.593 9.776 1.00 0.00 C ATOM 1650 CD GLN A 103 -10.349 11.574 10.990 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -9.344 10.865 11.018 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -10.702 12.356 12.004 1.00 0.00 N ATOM 0 H GLN A 103 -12.195 9.398 7.612 1.00 0.00 H new ATOM 0 HA GLN A 103 -11.926 12.215 7.348 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -10.449 9.955 8.659 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -9.588 11.466 8.441 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -11.573 12.617 9.580 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.156 11.016 9.990 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -11.544 12.928 11.938 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -10.131 12.385 12.849 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.265 10.379 5.283 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.372 10.393 4.129 1.00 0.00 C ATOM 1663 C LEU A 104 -10.167 10.395 2.826 1.00 0.00 C ATOM 1664 O LEU A 104 -10.870 9.434 2.516 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.436 9.184 4.168 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.067 9.374 3.517 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -6.062 9.901 4.530 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -6.578 8.067 2.910 1.00 0.00 C ATOM 0 H LEU A 104 -10.764 9.500 5.420 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.777 11.305 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.284 8.901 5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.935 8.347 3.679 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.166 10.108 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.093 10.030 4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.405 10.860 4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.967 9.191 5.351 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.602 8.222 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.496 7.311 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.286 7.730 2.152 1.00 0.00 H new ATOM 1680 N ASP A 105 -10.047 11.479 2.068 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.751 11.604 0.797 1.00 0.00 C ATOM 1682 C ASP A 105 -9.799 12.041 -0.311 1.00 0.00 C ATOM 1683 O ASP A 105 -9.537 13.232 -0.487 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.901 12.605 0.923 1.00 0.00 C ATOM 1685 CG ASP A 105 -13.061 12.056 1.730 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -12.827 11.174 2.582 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -14.203 12.510 1.510 1.00 0.00 O ATOM 0 H ASP A 105 -9.469 12.284 2.311 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.157 10.626 0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.535 13.517 1.393 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.252 12.878 -0.072 1.00 0.00 H new ATOM 1692 N THR A 106 -9.281 11.070 -1.057 1.00 0.00 N ATOM 1693 CA THR A 106 -8.355 11.353 -2.147 1.00 0.00 C ATOM 1694 C THR A 106 -8.055 10.096 -2.954 1.00 0.00 C ATOM 1695 O THR A 106 -8.482 8.998 -2.596 1.00 0.00 O ATOM 1696 CB THR A 106 -7.032 11.940 -1.621 1.00 0.00 C ATOM 1697 OG1 THR A 106 -6.266 12.474 -2.707 1.00 0.00 O ATOM 1698 CG2 THR A 106 -6.220 10.878 -0.895 1.00 0.00 C ATOM 0 H THR A 106 -9.487 10.080 -0.926 1.00 0.00 H new ATOM 0 HA THR A 106 -8.839 12.087 -2.791 1.00 0.00 H new ATOM 0 HB THR A 106 -7.269 12.738 -0.918 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.427 12.847 -2.364 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.290 11.316 -0.532 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.794 10.495 -0.051 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.994 10.061 -1.580 1.00 0.00 H new ATOM 1706 N THR A 107 -7.317 10.263 -4.047 1.00 0.00 N ATOM 1707 CA THR A 107 -6.960 9.141 -4.907 1.00 0.00 C ATOM 1708 C THR A 107 -5.482 9.180 -5.276 1.00 0.00 C ATOM 1709 O THR A 107 -4.958 10.221 -5.674 1.00 0.00 O ATOM 1710 CB THR A 107 -7.800 9.134 -6.199 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.654 10.381 -6.885 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.269 8.888 -5.889 1.00 0.00 C ATOM 0 H THR A 107 -6.955 11.164 -4.358 1.00 0.00 H new ATOM 0 HA THR A 107 -7.167 8.232 -4.343 1.00 0.00 H new ATOM 0 HB THR A 107 -7.440 8.326 -6.835 1.00 0.00 H new ATOM 0 HG1 THR A 107 -8.190 10.368 -7.706 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.841 8.888 -6.817 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.380 7.923 -5.394 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.640 9.677 -5.234 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.813 8.039 -5.141 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.393 7.942 -5.461 1.00 0.00 C ATOM 1722 C LEU A 108 -3.039 8.837 -6.645 1.00 0.00 C ATOM 1723 O LEU A 108 -3.311 8.497 -7.797 1.00 0.00 O ATOM 1724 CB LEU A 108 -3.018 6.493 -5.772 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.685 5.425 -4.905 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -3.054 4.065 -5.152 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.592 5.800 -3.433 1.00 0.00 C ATOM 0 H LEU A 108 -5.231 7.169 -4.812 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.826 8.279 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.264 6.291 -6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.937 6.389 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.738 5.367 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.542 3.318 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.174 3.793 -6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.993 4.106 -4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.072 5.029 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.544 5.886 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.093 6.754 -3.268 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.431 9.981 -6.354 1.00 0.00 N ATOM 1740 CA LYS A 109 -2.036 10.925 -7.393 1.00 0.00 C ATOM 1741 C LYS A 109 -0.617 10.639 -7.876 1.00 0.00 C ATOM 1742 O LYS A 109 -0.419 10.119 -8.974 1.00 0.00 O ATOM 1743 CB LYS A 109 -2.128 12.360 -6.870 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.487 13.002 -7.094 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.755 14.106 -6.084 1.00 0.00 C ATOM 1746 CE LYS A 109 -5.136 14.712 -6.275 1.00 0.00 C ATOM 1747 NZ LYS A 109 -5.116 15.843 -7.245 1.00 0.00 N ATOM 0 H LYS A 109 -2.200 10.278 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.719 10.807 -8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.905 12.364 -5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.364 12.966 -7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.535 13.411 -8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.266 12.243 -7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.669 13.705 -5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -2.998 14.884 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.824 13.944 -6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.514 15.063 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -6.076 16.229 -7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.479 16.588 -6.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.779 15.503 -8.168 1.00 0.00 H new ATOM 1761 N TYR A 110 0.364 10.982 -7.050 1.00 0.00 N ATOM 1762 CA TYR A 110 1.765 10.763 -7.394 1.00 0.00 C ATOM 1763 C TYR A 110 2.404 9.747 -6.453 1.00 0.00 C ATOM 1764 O TYR A 110 2.040 9.631 -5.283 1.00 0.00 O ATOM 1765 CB TYR A 110 2.537 12.082 -7.339 1.00 0.00 C ATOM 1766 CG TYR A 110 1.773 13.255 -7.911 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.856 13.573 -9.261 1.00 0.00 C ATOM 1768 CD2 TYR A 110 0.968 14.045 -7.100 1.00 0.00 C ATOM 1769 CE1 TYR A 110 1.160 14.645 -9.786 1.00 0.00 C ATOM 1770 CE2 TYR A 110 0.267 15.118 -7.617 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.367 15.414 -8.960 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.329 16.482 -9.480 1.00 0.00 O ATOM 0 H TYR A 110 0.216 11.413 -6.137 1.00 0.00 H new ATOM 0 HA TYR A 110 1.807 10.367 -8.409 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.796 12.299 -6.303 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.474 11.968 -7.885 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.475 12.972 -9.911 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.889 13.817 -6.047 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.237 14.880 -10.837 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.356 15.721 -6.973 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.840 16.918 -8.766 1.00 0.00 H new ATOM 1782 N PRO A 111 3.383 8.993 -6.976 1.00 0.00 N ATOM 1783 CA PRO A 111 4.096 7.972 -6.200 1.00 0.00 C ATOM 1784 C PRO A 111 5.001 8.582 -5.135 1.00 0.00 C ATOM 1785 O PRO A 111 4.940 9.783 -4.867 1.00 0.00 O ATOM 1786 CB PRO A 111 4.929 7.243 -7.256 1.00 0.00 C ATOM 1787 CG PRO A 111 5.118 8.241 -8.346 1.00 0.00 C ATOM 1788 CD PRO A 111 3.868 9.077 -8.362 1.00 0.00 C ATOM 0 HA PRO A 111 3.412 7.322 -5.654 1.00 0.00 H new ATOM 0 HB2 PRO A 111 5.886 6.916 -6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.416 6.353 -7.619 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.998 8.858 -8.162 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.270 7.747 -9.306 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.077 10.107 -8.653 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.134 8.689 -9.069 1.00 0.00 H new ATOM 1796 N TYR A 112 5.839 7.749 -4.530 1.00 0.00 N ATOM 1797 CA TYR A 112 6.756 8.206 -3.491 1.00 0.00 C ATOM 1798 C TYR A 112 8.129 8.520 -4.077 1.00 0.00 C ATOM 1799 O TYR A 112 8.408 8.209 -5.236 1.00 0.00 O ATOM 1800 CB TYR A 112 6.886 7.147 -2.395 1.00 0.00 C ATOM 1801 CG TYR A 112 8.037 6.190 -2.612 1.00 0.00 C ATOM 1802 CD1 TYR A 112 7.989 5.231 -3.616 1.00 0.00 C ATOM 1803 CD2 TYR A 112 9.171 6.245 -1.811 1.00 0.00 C ATOM 1804 CE1 TYR A 112 9.037 4.354 -3.816 1.00 0.00 C ATOM 1805 CE2 TYR A 112 10.225 5.374 -2.006 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.153 4.429 -3.009 1.00 0.00 C ATOM 1807 OH TYR A 112 11.200 3.558 -3.205 1.00 0.00 O ATOM 0 H TYR A 112 5.903 6.753 -4.740 1.00 0.00 H new ATOM 0 HA TYR A 112 6.349 9.119 -3.057 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.014 7.645 -1.434 1.00 0.00 H new ATOM 0 HB3 TYR A 112 5.958 6.579 -2.338 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.117 5.170 -4.251 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.229 6.981 -1.023 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.983 3.613 -4.600 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.101 5.432 -1.377 1.00 0.00 H new ATOM 0 HH TYR A 112 10.850 2.663 -3.395 1.00 0.00 H new ATOM 1817 N SER A 113 8.984 9.137 -3.267 1.00 0.00 N ATOM 1818 CA SER A 113 10.327 9.496 -3.704 1.00 0.00 C ATOM 1819 C SER A 113 11.228 8.265 -3.762 1.00 0.00 C ATOM 1820 O SER A 113 11.682 7.766 -2.734 1.00 0.00 O ATOM 1821 CB SER A 113 10.930 10.539 -2.762 1.00 0.00 C ATOM 1822 OG SER A 113 12.317 10.706 -3.006 1.00 0.00 O ATOM 0 H SER A 113 8.770 9.398 -2.305 1.00 0.00 H new ATOM 0 HA SER A 113 10.255 9.919 -4.706 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.417 11.492 -2.893 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.774 10.233 -1.728 1.00 0.00 H new ATOM 0 HG SER A 113 12.678 11.379 -2.392 1.00 0.00 H new ATOM 1828 N GLY A 114 11.481 7.782 -4.975 1.00 0.00 N ATOM 1829 CA GLY A 114 12.324 6.613 -5.145 1.00 0.00 C ATOM 1830 C GLY A 114 13.780 6.898 -4.826 1.00 0.00 C ATOM 1831 O GLY A 114 14.176 8.042 -4.605 1.00 0.00 O ATOM 0 H GLY A 114 11.118 8.179 -5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.964 5.812 -4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.243 6.256 -6.172 1.00 0.00 H new ATOM 1835 N PRO A 115 14.600 5.837 -4.795 1.00 0.00 N ATOM 1836 CA PRO A 115 16.031 5.953 -4.500 1.00 0.00 C ATOM 1837 C PRO A 115 16.801 6.641 -5.622 1.00 0.00 C ATOM 1838 O PRO A 115 16.528 6.420 -6.802 1.00 0.00 O ATOM 1839 CB PRO A 115 16.482 4.497 -4.356 1.00 0.00 C ATOM 1840 CG PRO A 115 15.505 3.716 -5.166 1.00 0.00 C ATOM 1841 CD PRO A 115 14.196 4.444 -5.049 1.00 0.00 C ATOM 0 HA PRO A 115 16.217 6.561 -3.615 1.00 0.00 H new ATOM 0 HB2 PRO A 115 17.499 4.360 -4.722 1.00 0.00 H new ATOM 0 HB3 PRO A 115 16.473 4.181 -3.313 1.00 0.00 H new ATOM 0 HG2 PRO A 115 15.824 3.651 -6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 115 15.418 2.695 -4.795 1.00 0.00 H new ATOM 0 HD2 PRO A 115 13.605 4.357 -5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 115 13.587 4.048 -4.236 1.00 0.00 H new ATOM 1849 N SER A 116 17.766 7.475 -5.247 1.00 0.00 N ATOM 1850 CA SER A 116 18.574 8.198 -6.222 1.00 0.00 C ATOM 1851 C SER A 116 19.978 8.452 -5.682 1.00 0.00 C ATOM 1852 O SER A 116 20.146 8.962 -4.574 1.00 0.00 O ATOM 1853 CB SER A 116 17.906 9.526 -6.585 1.00 0.00 C ATOM 1854 OG SER A 116 18.109 10.493 -5.568 1.00 0.00 O ATOM 0 H SER A 116 18.007 7.667 -4.275 1.00 0.00 H new ATOM 0 HA SER A 116 18.654 7.583 -7.119 1.00 0.00 H new ATOM 0 HB2 SER A 116 18.310 9.895 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 116 16.838 9.370 -6.735 1.00 0.00 H new ATOM 0 HG SER A 116 18.778 10.164 -4.932 1.00 0.00 H new ATOM 1860 N SER A 117 20.983 8.095 -6.475 1.00 0.00 N ATOM 1861 CA SER A 117 22.374 8.280 -6.076 1.00 0.00 C ATOM 1862 C SER A 117 22.579 9.655 -5.446 1.00 0.00 C ATOM 1863 O SER A 117 22.099 10.664 -5.959 1.00 0.00 O ATOM 1864 CB SER A 117 23.299 8.117 -7.284 1.00 0.00 C ATOM 1865 OG SER A 117 24.607 7.751 -6.879 1.00 0.00 O ATOM 0 H SER A 117 20.861 7.676 -7.397 1.00 0.00 H new ATOM 0 HA SER A 117 22.619 7.519 -5.335 1.00 0.00 H new ATOM 0 HB2 SER A 117 22.897 7.357 -7.954 1.00 0.00 H new ATOM 0 HB3 SER A 117 23.337 9.050 -7.846 1.00 0.00 H new ATOM 0 HG SER A 117 25.178 7.651 -7.669 1.00 0.00 H new ATOM 1871 N GLY A 118 23.299 9.684 -4.328 1.00 0.00 N ATOM 1872 CA GLY A 118 23.557 10.938 -3.645 1.00 0.00 C ATOM 1873 C GLY A 118 22.498 11.262 -2.610 1.00 0.00 C ATOM 1874 O GLY A 118 21.903 12.340 -2.637 1.00 0.00 O ATOM 0 H GLY A 118 23.708 8.862 -3.884 1.00 0.00 H new ATOM 0 HA2 GLY A 118 24.532 10.890 -3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 118 23.604 11.744 -4.377 1.00 0.00 H new TER 1878 GLY A 118