USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 827 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 20 HIS : no HE2:sc= -9.7! C(o=-8.5!,f=-13!) USER MOD Set 1.2: A 83 TYR OH : rot 7:sc= 1.25 USER MOD Set 2.1: A 58 ASN : amide:sc= -0.0989 X(o=-0.099,f=0) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 THR OG1 : rot -123:sc= -0.129 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc=-0.00108 K(o=-0.0011,f=-1.1) USER MOD Single : A 14 TYR OH : rot 150:sc= -0.202 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -110:sc= 0.0189 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -3.93! C(o=-3.9!,f=-3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0188 K(o=-0.019,f=-0.61) USER MOD Single : A 48 SER OG : rot -48:sc= 0.977 USER MOD Single : A 54 GLN : amide:sc=-0.00121 K(o=-0.0012,f=-0.9) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.848 K(o=-0.85,f=-3.7!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.675 USER MOD Single : A 67 THR OG1 : rot 19:sc= 0.341 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.014 K(o=-0.014,f=-1.1) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.709 26.771 19.220 1.00 0.00 N ATOM 2 CA GLY A 1 11.783 26.426 18.158 1.00 0.00 C ATOM 3 C GLY A 1 11.574 24.930 18.033 1.00 0.00 C ATOM 4 O GLY A 1 11.155 24.274 18.986 1.00 0.00 O ATOM 0 H1 GLY A 1 12.817 27.804 19.264 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.341 26.422 20.128 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.633 26.334 19.030 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.824 26.909 18.345 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.158 26.817 17.212 1.00 0.00 H new ATOM 8 N SER A 2 11.866 24.390 16.854 1.00 0.00 N ATOM 9 CA SER A 2 11.703 22.962 16.606 1.00 0.00 C ATOM 10 C SER A 2 12.894 22.406 15.832 1.00 0.00 C ATOM 11 O SER A 2 13.756 23.156 15.373 1.00 0.00 O ATOM 12 CB SER A 2 10.410 22.702 15.832 1.00 0.00 C ATOM 13 OG SER A 2 9.281 22.775 16.685 1.00 0.00 O ATOM 0 H SER A 2 12.217 24.919 16.056 1.00 0.00 H new ATOM 0 HA SER A 2 11.649 22.454 17.569 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.310 23.432 15.029 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.454 21.718 15.365 1.00 0.00 H new ATOM 0 HG SER A 2 8.467 22.607 16.166 1.00 0.00 H new ATOM 19 N SER A 3 12.935 21.085 15.689 1.00 0.00 N ATOM 20 CA SER A 3 14.021 20.426 14.974 1.00 0.00 C ATOM 21 C SER A 3 13.666 20.236 13.502 1.00 0.00 C ATOM 22 O SER A 3 14.490 20.463 12.618 1.00 0.00 O ATOM 23 CB SER A 3 14.335 19.072 15.614 1.00 0.00 C ATOM 24 OG SER A 3 15.316 18.371 14.869 1.00 0.00 O ATOM 0 H SER A 3 12.228 20.450 16.059 1.00 0.00 H new ATOM 0 HA SER A 3 14.903 21.063 15.038 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.687 19.222 16.635 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.425 18.475 15.675 1.00 0.00 H new ATOM 0 HG SER A 3 15.500 17.510 15.299 1.00 0.00 H new ATOM 30 N GLY A 4 12.430 19.816 13.248 1.00 0.00 N ATOM 31 CA GLY A 4 11.985 19.602 11.883 1.00 0.00 C ATOM 32 C GLY A 4 11.735 18.138 11.579 1.00 0.00 C ATOM 33 O GLY A 4 12.652 17.319 11.640 1.00 0.00 O ATOM 0 H GLY A 4 11.729 19.620 13.963 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.070 20.168 11.709 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.735 19.990 11.194 1.00 0.00 H new ATOM 37 N SER A 5 10.491 17.808 11.250 1.00 0.00 N ATOM 38 CA SER A 5 10.121 16.431 10.940 1.00 0.00 C ATOM 39 C SER A 5 10.527 16.068 9.514 1.00 0.00 C ATOM 40 O SER A 5 10.550 16.921 8.627 1.00 0.00 O ATOM 41 CB SER A 5 8.615 16.232 11.120 1.00 0.00 C ATOM 42 OG SER A 5 8.267 16.189 12.493 1.00 0.00 O ATOM 0 H SER A 5 9.721 18.475 11.191 1.00 0.00 H new ATOM 0 HA SER A 5 10.652 15.774 11.629 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.077 17.044 10.630 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.307 15.306 10.634 1.00 0.00 H new ATOM 0 HG SER A 5 7.299 16.063 12.581 1.00 0.00 H new ATOM 48 N SER A 6 10.847 14.796 9.303 1.00 0.00 N ATOM 49 CA SER A 6 11.255 14.319 7.987 1.00 0.00 C ATOM 50 C SER A 6 10.165 13.456 7.359 1.00 0.00 C ATOM 51 O SER A 6 9.410 12.782 8.059 1.00 0.00 O ATOM 52 CB SER A 6 12.556 13.521 8.091 1.00 0.00 C ATOM 53 OG SER A 6 13.246 13.506 6.854 1.00 0.00 O ATOM 0 H SER A 6 10.832 14.077 10.026 1.00 0.00 H new ATOM 0 HA SER A 6 11.419 15.187 7.349 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.193 13.957 8.861 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.336 12.499 8.400 1.00 0.00 H new ATOM 0 HG SER A 6 14.075 12.991 6.948 1.00 0.00 H new ATOM 59 N GLY A 7 10.089 13.481 6.032 1.00 0.00 N ATOM 60 CA GLY A 7 9.089 12.698 5.331 1.00 0.00 C ATOM 61 C GLY A 7 9.649 11.402 4.779 1.00 0.00 C ATOM 62 O GLY A 7 9.909 11.289 3.581 1.00 0.00 O ATOM 0 H GLY A 7 10.703 14.030 5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.266 12.475 6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.677 13.289 4.513 1.00 0.00 H new ATOM 66 N THR A 8 9.838 10.420 5.655 1.00 0.00 N ATOM 67 CA THR A 8 10.374 9.127 5.250 1.00 0.00 C ATOM 68 C THR A 8 9.263 8.092 5.106 1.00 0.00 C ATOM 69 O THR A 8 8.155 8.284 5.607 1.00 0.00 O ATOM 70 CB THR A 8 11.414 8.608 6.261 1.00 0.00 C ATOM 71 OG1 THR A 8 10.893 8.699 7.591 1.00 0.00 O ATOM 72 CG2 THR A 8 12.707 9.404 6.162 1.00 0.00 C ATOM 0 H THR A 8 9.628 10.496 6.650 1.00 0.00 H new ATOM 0 HA THR A 8 10.858 9.274 4.285 1.00 0.00 H new ATOM 0 HB THR A 8 11.628 7.565 6.026 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.496 9.239 8.142 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.427 9.020 6.885 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.117 9.309 5.156 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.505 10.454 6.374 1.00 0.00 H new ATOM 80 N ILE A 9 9.568 6.996 4.419 1.00 0.00 N ATOM 81 CA ILE A 9 8.595 5.931 4.211 1.00 0.00 C ATOM 82 C ILE A 9 8.613 4.936 5.366 1.00 0.00 C ATOM 83 O ILE A 9 7.574 4.405 5.758 1.00 0.00 O ATOM 84 CB ILE A 9 8.860 5.176 2.894 1.00 0.00 C ATOM 85 CG1 ILE A 9 8.966 6.162 1.729 1.00 0.00 C ATOM 86 CG2 ILE A 9 7.758 4.159 2.636 1.00 0.00 C ATOM 87 CD1 ILE A 9 7.631 6.712 1.279 1.00 0.00 C ATOM 0 H ILE A 9 10.480 6.823 3.997 1.00 0.00 H new ATOM 0 HA ILE A 9 7.615 6.405 4.158 1.00 0.00 H new ATOM 0 HB ILE A 9 9.807 4.643 2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.611 6.990 2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.448 5.666 0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.959 3.634 1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.725 3.442 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.799 4.672 2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.783 7.404 0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.991 5.892 0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.156 7.237 2.108 1.00 0.00 H new ATOM 99 N SER A 10 9.801 4.691 5.910 1.00 0.00 N ATOM 100 CA SER A 10 9.956 3.758 7.020 1.00 0.00 C ATOM 101 C SER A 10 9.057 4.151 8.189 1.00 0.00 C ATOM 102 O SER A 10 8.207 3.373 8.620 1.00 0.00 O ATOM 103 CB SER A 10 11.415 3.713 7.477 1.00 0.00 C ATOM 104 OG SER A 10 11.557 2.940 8.656 1.00 0.00 O ATOM 0 H SER A 10 10.670 5.126 5.600 1.00 0.00 H new ATOM 0 HA SER A 10 9.661 2.768 6.674 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.034 3.291 6.685 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.774 4.726 7.657 1.00 0.00 H new ATOM 0 HG SER A 10 12.499 2.926 8.926 1.00 0.00 H new ATOM 110 N GLN A 11 9.253 5.365 8.695 1.00 0.00 N ATOM 111 CA GLN A 11 8.461 5.861 9.814 1.00 0.00 C ATOM 112 C GLN A 11 6.990 5.494 9.646 1.00 0.00 C ATOM 113 O GLN A 11 6.295 5.212 10.622 1.00 0.00 O ATOM 114 CB GLN A 11 8.609 7.379 9.938 1.00 0.00 C ATOM 115 CG GLN A 11 9.969 7.817 10.457 1.00 0.00 C ATOM 116 CD GLN A 11 10.045 9.310 10.708 1.00 0.00 C ATOM 117 OE1 GLN A 11 9.031 9.960 10.963 1.00 0.00 O ATOM 118 NE2 GLN A 11 11.251 9.862 10.635 1.00 0.00 N ATOM 0 H GLN A 11 9.952 6.022 8.348 1.00 0.00 H new ATOM 0 HA GLN A 11 8.832 5.391 10.725 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.438 7.833 8.962 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.835 7.758 10.606 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.189 7.285 11.383 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.737 7.534 9.737 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.064 9.285 10.421 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.364 10.863 10.793 1.00 0.00 H new ATOM 127 N ARG A 12 6.523 5.501 8.402 1.00 0.00 N ATOM 128 CA ARG A 12 5.134 5.171 8.106 1.00 0.00 C ATOM 129 C ARG A 12 4.863 3.689 8.352 1.00 0.00 C ATOM 130 O ARG A 12 5.731 2.835 8.167 1.00 0.00 O ATOM 131 CB ARG A 12 4.800 5.527 6.656 1.00 0.00 C ATOM 132 CG ARG A 12 5.040 6.989 6.318 1.00 0.00 C ATOM 133 CD ARG A 12 3.874 7.861 6.758 1.00 0.00 C ATOM 134 NE ARG A 12 3.997 8.276 8.153 1.00 0.00 N ATOM 135 CZ ARG A 12 3.413 9.360 8.652 1.00 0.00 C ATOM 136 NH1 ARG A 12 2.669 10.134 7.873 1.00 0.00 N ATOM 137 NH2 ARG A 12 3.572 9.671 9.932 1.00 0.00 N ATOM 0 H ARG A 12 7.086 5.731 7.583 1.00 0.00 H new ATOM 0 HA ARG A 12 4.499 5.755 8.772 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.400 4.906 5.991 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.755 5.285 6.463 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.954 7.330 6.803 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.190 7.095 5.244 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.821 8.744 6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.941 7.314 6.623 1.00 0.00 H new ATOM 0 HE ARG A 12 4.562 7.702 8.779 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.544 9.897 6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.222 10.966 8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.143 9.078 10.534 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.123 10.503 10.314 1.00 0.00 H new ATOM 151 N PRO A 13 3.631 3.375 8.780 1.00 0.00 N ATOM 152 CA PRO A 13 3.218 1.997 9.060 1.00 0.00 C ATOM 153 C PRO A 13 3.098 1.159 7.792 1.00 0.00 C ATOM 154 O PRO A 13 2.728 1.666 6.733 1.00 0.00 O ATOM 155 CB PRO A 13 1.848 2.166 9.722 1.00 0.00 C ATOM 156 CG PRO A 13 1.338 3.468 9.210 1.00 0.00 C ATOM 157 CD PRO A 13 2.547 4.342 9.022 1.00 0.00 C ATOM 0 HA PRO A 13 3.944 1.471 9.680 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.178 1.347 9.459 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.932 2.173 10.809 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.803 3.335 8.270 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.638 3.917 9.914 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.423 5.025 8.182 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.742 4.953 9.903 1.00 0.00 H new ATOM 165 N TYR A 14 3.412 -0.127 7.907 1.00 0.00 N ATOM 166 CA TYR A 14 3.341 -1.036 6.769 1.00 0.00 C ATOM 167 C TYR A 14 2.073 -0.792 5.956 1.00 0.00 C ATOM 168 O TYR A 14 2.135 -0.394 4.792 1.00 0.00 O ATOM 169 CB TYR A 14 3.383 -2.488 7.246 1.00 0.00 C ATOM 170 CG TYR A 14 3.852 -3.460 6.187 1.00 0.00 C ATOM 171 CD1 TYR A 14 4.973 -3.186 5.412 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.175 -4.652 5.960 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.405 -4.070 4.443 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.601 -5.543 4.994 1.00 0.00 C ATOM 175 CZ TYR A 14 4.716 -5.247 4.238 1.00 0.00 C ATOM 176 OH TYR A 14 5.142 -6.132 3.274 1.00 0.00 O ATOM 0 H TYR A 14 3.718 -0.563 8.777 1.00 0.00 H new ATOM 0 HA TYR A 14 4.203 -0.846 6.130 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.043 -2.559 8.110 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.388 -2.781 7.581 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.516 -2.266 5.570 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.301 -4.886 6.549 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.277 -3.841 3.849 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.064 -6.466 4.832 1.00 0.00 H new ATOM 0 HH TYR A 14 4.908 -7.045 3.542 1.00 0.00 H new ATOM 186 N ARG A 15 0.924 -1.034 6.578 1.00 0.00 N ATOM 187 CA ARG A 15 -0.360 -0.842 5.913 1.00 0.00 C ATOM 188 C ARG A 15 -0.311 0.360 4.973 1.00 0.00 C ATOM 189 O ARG A 15 -0.455 0.217 3.759 1.00 0.00 O ATOM 190 CB ARG A 15 -1.470 -0.648 6.948 1.00 0.00 C ATOM 191 CG ARG A 15 -2.630 0.197 6.446 1.00 0.00 C ATOM 192 CD ARG A 15 -3.857 0.039 7.329 1.00 0.00 C ATOM 193 NE ARG A 15 -3.582 0.397 8.718 1.00 0.00 N ATOM 194 CZ ARG A 15 -4.525 0.518 9.646 1.00 0.00 C ATOM 195 NH1 ARG A 15 -5.797 0.310 9.335 1.00 0.00 N ATOM 196 NH2 ARG A 15 -4.195 0.847 10.889 1.00 0.00 N ATOM 0 H ARG A 15 0.855 -1.363 7.541 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.573 -1.734 5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.847 -1.625 7.251 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.048 -0.179 7.837 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.333 1.245 6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.876 -0.091 5.424 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.662 0.666 6.946 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.206 -0.992 7.283 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.613 0.563 8.990 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.054 0.056 8.381 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.519 0.404 10.050 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.217 1.007 11.132 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.919 0.940 11.601 1.00 0.00 H new ATOM 210 N ASP A 16 -0.107 1.542 5.543 1.00 0.00 N ATOM 211 CA ASP A 16 -0.039 2.768 4.757 1.00 0.00 C ATOM 212 C ASP A 16 0.797 2.560 3.497 1.00 0.00 C ATOM 213 O ASP A 16 0.326 2.789 2.383 1.00 0.00 O ATOM 214 CB ASP A 16 0.552 3.904 5.594 1.00 0.00 C ATOM 215 CG ASP A 16 -0.508 4.666 6.366 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.656 4.742 5.880 1.00 0.00 O ATOM 217 OD2 ASP A 16 -0.189 5.185 7.456 1.00 0.00 O ATOM 0 H ASP A 16 0.014 1.677 6.547 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.053 3.036 4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.282 3.495 6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.087 4.593 4.940 1.00 0.00 H new ATOM 222 N ARG A 17 2.039 2.127 3.683 1.00 0.00 N ATOM 223 CA ARG A 17 2.941 1.891 2.562 1.00 0.00 C ATOM 224 C ARG A 17 2.300 0.962 1.535 1.00 0.00 C ATOM 225 O ARG A 17 2.535 1.092 0.333 1.00 0.00 O ATOM 226 CB ARG A 17 4.258 1.289 3.058 1.00 0.00 C ATOM 227 CG ARG A 17 4.971 2.149 4.088 1.00 0.00 C ATOM 228 CD ARG A 17 5.889 1.317 4.969 1.00 0.00 C ATOM 229 NE ARG A 17 7.234 1.209 4.410 1.00 0.00 N ATOM 230 CZ ARG A 17 8.237 0.591 5.023 1.00 0.00 C ATOM 231 NH1 ARG A 17 8.049 0.028 6.208 1.00 0.00 N ATOM 232 NH2 ARG A 17 9.433 0.535 4.449 1.00 0.00 N ATOM 0 H ARG A 17 2.444 1.932 4.599 1.00 0.00 H new ATOM 0 HA ARG A 17 3.144 2.849 2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.059 0.309 3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.920 1.133 2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.552 2.920 3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.235 2.661 4.708 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.944 1.765 5.961 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.467 0.320 5.093 1.00 0.00 H new ATOM 0 HE ARG A 17 7.413 1.631 3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.132 0.068 6.652 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.822 -0.446 6.676 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.582 0.967 3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.203 0.060 4.920 1.00 0.00 H new ATOM 246 N VAL A 18 1.490 0.025 2.016 1.00 0.00 N ATOM 247 CA VAL A 18 0.814 -0.925 1.140 1.00 0.00 C ATOM 248 C VAL A 18 -0.346 -0.264 0.404 1.00 0.00 C ATOM 249 O VAL A 18 -0.334 -0.156 -0.823 1.00 0.00 O ATOM 250 CB VAL A 18 0.284 -2.136 1.929 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.552 -3.035 1.030 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.435 -2.913 2.550 1.00 0.00 C ATOM 0 H VAL A 18 1.286 -0.097 3.008 1.00 0.00 H new ATOM 0 HA VAL A 18 1.552 -1.268 0.415 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.354 -1.771 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.918 -3.886 1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.398 -2.471 0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.061 -3.393 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.042 -3.765 3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.101 -3.267 1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.988 -2.264 3.228 1.00 0.00 H new ATOM 262 N ILE A 19 -1.346 0.176 1.160 1.00 0.00 N ATOM 263 CA ILE A 19 -2.513 0.828 0.579 1.00 0.00 C ATOM 264 C ILE A 19 -2.101 1.940 -0.379 1.00 0.00 C ATOM 265 O ILE A 19 -2.709 2.121 -1.435 1.00 0.00 O ATOM 266 CB ILE A 19 -3.429 1.417 1.668 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.826 2.706 2.230 1.00 0.00 C ATOM 268 CG2 ILE A 19 -3.651 0.402 2.779 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.642 3.318 3.347 1.00 0.00 C ATOM 0 H ILE A 19 -1.372 0.093 2.176 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.061 0.063 0.029 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.394 1.654 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.821 2.497 2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.726 3.433 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.300 0.833 3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.119 -0.492 2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.693 0.137 3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.155 4.228 3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.640 3.558 2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.720 2.609 4.171 1.00 0.00 H new ATOM 281 N HIS A 20 -1.063 2.681 -0.006 1.00 0.00 N ATOM 282 CA HIS A 20 -0.568 3.775 -0.834 1.00 0.00 C ATOM 283 C HIS A 20 -0.082 3.257 -2.184 1.00 0.00 C ATOM 284 O HIS A 20 -0.056 3.994 -3.171 1.00 0.00 O ATOM 285 CB HIS A 20 0.566 4.511 -0.119 1.00 0.00 C ATOM 286 CG HIS A 20 0.091 5.596 0.798 1.00 0.00 C ATOM 287 ND1 HIS A 20 0.079 5.469 2.171 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.390 6.833 0.532 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.390 6.580 2.710 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.681 7.424 1.737 1.00 0.00 N ATOM 0 H HIS A 20 -0.548 2.544 0.864 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.391 4.469 -1.005 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.150 3.792 0.455 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.234 4.943 -0.864 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.385 4.646 2.690 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.521 7.273 -0.446 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.514 6.766 3.767 1.00 0.00 H new ATOM 298 N LEU A 21 0.304 1.987 -2.221 1.00 0.00 N ATOM 299 CA LEU A 21 0.791 1.370 -3.450 1.00 0.00 C ATOM 300 C LEU A 21 -0.358 0.753 -4.242 1.00 0.00 C ATOM 301 O LEU A 21 -0.440 0.907 -5.461 1.00 0.00 O ATOM 302 CB LEU A 21 1.836 0.300 -3.129 1.00 0.00 C ATOM 303 CG LEU A 21 3.198 0.812 -2.660 1.00 0.00 C ATOM 304 CD1 LEU A 21 4.046 -0.334 -2.130 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.917 1.530 -3.793 1.00 0.00 C ATOM 0 H LEU A 21 0.289 1.364 -1.414 1.00 0.00 H new ATOM 0 HA LEU A 21 1.252 2.148 -4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.431 -0.355 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.987 -0.311 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 21 3.038 1.523 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.012 0.050 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.537 -0.805 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.198 -1.070 -2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.885 1.888 -3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.065 0.841 -4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.317 2.377 -4.126 1.00 0.00 H new ATOM 317 N LEU A 22 -1.245 0.055 -3.540 1.00 0.00 N ATOM 318 CA LEU A 22 -2.392 -0.583 -4.177 1.00 0.00 C ATOM 319 C LEU A 22 -3.343 0.458 -4.757 1.00 0.00 C ATOM 320 O LEU A 22 -4.019 0.208 -5.755 1.00 0.00 O ATOM 321 CB LEU A 22 -3.135 -1.463 -3.169 1.00 0.00 C ATOM 322 CG LEU A 22 -2.414 -2.739 -2.732 1.00 0.00 C ATOM 323 CD1 LEU A 22 -2.872 -3.162 -1.345 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.649 -3.856 -3.738 1.00 0.00 C ATOM 0 H LEU A 22 -1.192 -0.083 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.023 -1.205 -4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.345 -0.866 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.096 -1.742 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.344 -2.534 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.348 -4.072 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.651 -2.369 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.946 -3.349 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.128 -4.756 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.717 -4.061 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.270 -3.552 -4.714 1.00 0.00 H new ATOM 336 N ALA A 23 -3.387 1.628 -4.128 1.00 0.00 N ATOM 337 CA ALA A 23 -4.252 2.709 -4.584 1.00 0.00 C ATOM 338 C ALA A 23 -4.079 2.956 -6.079 1.00 0.00 C ATOM 339 O ALA A 23 -5.025 2.818 -6.855 1.00 0.00 O ATOM 340 CB ALA A 23 -3.964 3.981 -3.801 1.00 0.00 C ATOM 0 H ALA A 23 -2.833 1.851 -3.301 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.286 2.413 -4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.617 4.780 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.144 3.804 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.924 4.271 -3.949 1.00 0.00 H new ATOM 346 N LEU A 24 -2.865 3.321 -6.477 1.00 0.00 N ATOM 347 CA LEU A 24 -2.568 3.588 -7.880 1.00 0.00 C ATOM 348 C LEU A 24 -3.130 2.488 -8.775 1.00 0.00 C ATOM 349 O LEU A 24 -3.776 2.764 -9.786 1.00 0.00 O ATOM 350 CB LEU A 24 -1.057 3.708 -8.088 1.00 0.00 C ATOM 351 CG LEU A 24 -0.427 5.039 -7.675 1.00 0.00 C ATOM 352 CD1 LEU A 24 1.022 5.107 -8.132 1.00 0.00 C ATOM 353 CD2 LEU A 24 -1.223 6.205 -8.243 1.00 0.00 C ATOM 0 H LEU A 24 -2.071 3.439 -5.848 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.042 4.531 -8.153 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.569 2.909 -7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.841 3.538 -9.143 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.447 5.107 -6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.454 6.061 -7.830 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.586 4.292 -7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.066 5.017 -9.217 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.760 7.144 -7.939 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.235 6.142 -9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.245 6.166 -7.866 1.00 0.00 H new ATOM 365 N LYS A 25 -2.882 1.239 -8.394 1.00 0.00 N ATOM 366 CA LYS A 25 -3.366 0.096 -9.159 1.00 0.00 C ATOM 367 C LYS A 25 -3.306 -1.181 -8.325 1.00 0.00 C ATOM 368 O LYS A 25 -2.723 -1.199 -7.242 1.00 0.00 O ATOM 369 CB LYS A 25 -2.539 -0.077 -10.435 1.00 0.00 C ATOM 370 CG LYS A 25 -1.181 -0.715 -10.199 1.00 0.00 C ATOM 371 CD LYS A 25 -0.578 -1.239 -11.491 1.00 0.00 C ATOM 372 CE LYS A 25 0.585 -2.181 -11.222 1.00 0.00 C ATOM 373 NZ LYS A 25 0.842 -3.088 -12.375 1.00 0.00 N ATOM 0 H LYS A 25 -2.349 0.993 -7.560 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.405 0.285 -9.429 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.100 -0.689 -11.141 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.397 0.898 -10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.507 0.016 -9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.282 -1.533 -9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.344 -1.760 -12.066 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.236 -0.402 -12.100 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.482 -1.599 -11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.373 -2.775 -10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.642 -3.714 -12.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.005 -3.661 -12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.069 -2.522 -13.218 1.00 0.00 H new ATOM 387 N ALA A 26 -3.912 -2.246 -8.839 1.00 0.00 N ATOM 388 CA ALA A 26 -3.925 -3.527 -8.144 1.00 0.00 C ATOM 389 C ALA A 26 -2.544 -4.174 -8.160 1.00 0.00 C ATOM 390 O ALA A 26 -1.848 -4.149 -9.176 1.00 0.00 O ATOM 391 CB ALA A 26 -4.953 -4.457 -8.769 1.00 0.00 C ATOM 0 H ALA A 26 -4.400 -2.247 -9.734 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.201 -3.346 -7.105 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.951 -5.410 -8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.942 -4.005 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.703 -4.624 -9.817 1.00 0.00 H new ATOM 397 N TYR A 27 -2.154 -4.752 -7.030 1.00 0.00 N ATOM 398 CA TYR A 27 -0.854 -5.403 -6.914 1.00 0.00 C ATOM 399 C TYR A 27 -1.002 -6.824 -6.378 1.00 0.00 C ATOM 400 O TYR A 27 -1.982 -7.148 -5.705 1.00 0.00 O ATOM 401 CB TYR A 27 0.065 -4.594 -5.998 1.00 0.00 C ATOM 402 CG TYR A 27 0.883 -3.552 -6.727 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.312 -2.354 -7.137 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.227 -3.766 -7.006 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.055 -1.400 -7.805 1.00 0.00 C ATOM 406 CE2 TYR A 27 2.979 -2.817 -7.672 1.00 0.00 C ATOM 407 CZ TYR A 27 2.388 -1.636 -8.070 1.00 0.00 C ATOM 408 OH TYR A 27 3.132 -0.688 -8.733 1.00 0.00 O ATOM 0 H TYR A 27 -2.719 -4.783 -6.181 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.412 -5.453 -7.909 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.538 -4.102 -5.235 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.739 -5.276 -5.480 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.731 -2.165 -6.930 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.692 -4.690 -6.697 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.595 -0.474 -8.118 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.023 -2.999 -7.880 1.00 0.00 H new ATOM 0 HH TYR A 27 2.780 0.204 -8.532 1.00 0.00 H new ATOM 418 N LYS A 28 -0.022 -7.669 -6.680 1.00 0.00 N ATOM 419 CA LYS A 28 -0.040 -9.055 -6.229 1.00 0.00 C ATOM 420 C LYS A 28 0.808 -9.229 -4.973 1.00 0.00 C ATOM 421 O LYS A 28 1.793 -8.518 -4.773 1.00 0.00 O ATOM 422 CB LYS A 28 0.472 -9.980 -7.335 1.00 0.00 C ATOM 423 CG LYS A 28 -0.309 -9.866 -8.633 1.00 0.00 C ATOM 424 CD LYS A 28 0.265 -8.787 -9.536 1.00 0.00 C ATOM 425 CE LYS A 28 -0.560 -8.626 -10.804 1.00 0.00 C ATOM 426 NZ LYS A 28 -0.151 -9.593 -11.859 1.00 0.00 N ATOM 0 H LYS A 28 0.795 -7.418 -7.236 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.070 -9.320 -5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.520 -9.754 -7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.429 -11.011 -6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.293 -10.824 -9.153 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.352 -9.640 -8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.297 -7.839 -8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.292 -9.039 -9.798 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.615 -8.768 -10.571 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.451 -7.609 -11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.324 -9.084 -12.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.502 -10.293 -11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.993 -10.078 -12.230 1.00 0.00 H new ATOM 440 N LYS A 29 0.420 -10.179 -4.129 1.00 0.00 N ATOM 441 CA LYS A 29 1.146 -10.450 -2.894 1.00 0.00 C ATOM 442 C LYS A 29 2.650 -10.306 -3.104 1.00 0.00 C ATOM 443 O LYS A 29 3.332 -9.568 -2.393 1.00 0.00 O ATOM 444 CB LYS A 29 0.823 -11.857 -2.386 1.00 0.00 C ATOM 445 CG LYS A 29 1.845 -12.397 -1.401 1.00 0.00 C ATOM 446 CD LYS A 29 1.518 -11.984 0.025 1.00 0.00 C ATOM 447 CE LYS A 29 2.779 -11.805 0.856 1.00 0.00 C ATOM 448 NZ LYS A 29 3.494 -13.095 1.064 1.00 0.00 N ATOM 0 H LYS A 29 -0.394 -10.775 -4.278 1.00 0.00 H new ATOM 0 HA LYS A 29 0.830 -9.720 -2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.158 -11.846 -1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.757 -12.535 -3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.877 -13.485 -1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.837 -12.032 -1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.953 -11.052 0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.881 -12.738 0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.443 -11.097 0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.519 -11.374 1.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.348 -12.931 1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.869 -13.762 1.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.765 -13.494 0.143 1.00 0.00 H new ATOM 462 N PRO A 30 3.180 -11.027 -4.103 1.00 0.00 N ATOM 463 CA PRO A 30 4.608 -10.995 -4.430 1.00 0.00 C ATOM 464 C PRO A 30 5.035 -9.662 -5.035 1.00 0.00 C ATOM 465 O PRO A 30 5.999 -9.046 -4.583 1.00 0.00 O ATOM 466 CB PRO A 30 4.762 -12.121 -5.456 1.00 0.00 C ATOM 467 CG PRO A 30 3.414 -12.257 -6.074 1.00 0.00 C ATOM 468 CD PRO A 30 2.426 -11.929 -4.990 1.00 0.00 C ATOM 0 HA PRO A 30 5.231 -11.118 -3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.517 -11.876 -6.203 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.075 -13.050 -4.980 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.303 -11.580 -6.921 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.258 -13.268 -6.451 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.535 -11.446 -5.391 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.094 -12.824 -4.465 1.00 0.00 H new ATOM 476 N GLU A 31 4.309 -9.222 -6.059 1.00 0.00 N ATOM 477 CA GLU A 31 4.614 -7.962 -6.724 1.00 0.00 C ATOM 478 C GLU A 31 4.642 -6.810 -5.723 1.00 0.00 C ATOM 479 O GLU A 31 5.681 -6.186 -5.506 1.00 0.00 O ATOM 480 CB GLU A 31 3.585 -7.675 -7.819 1.00 0.00 C ATOM 481 CG GLU A 31 3.902 -6.441 -8.646 1.00 0.00 C ATOM 482 CD GLU A 31 2.781 -6.071 -9.597 1.00 0.00 C ATOM 483 OE1 GLU A 31 2.403 -6.922 -10.429 1.00 0.00 O ATOM 484 OE2 GLU A 31 2.281 -4.930 -9.509 1.00 0.00 O ATOM 0 H GLU A 31 3.507 -9.720 -6.445 1.00 0.00 H new ATOM 0 HA GLU A 31 5.601 -8.051 -7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.521 -8.539 -8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.604 -7.552 -7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.099 -5.602 -7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.814 -6.615 -9.216 1.00 0.00 H new ATOM 491 N LEU A 32 3.492 -6.533 -5.118 1.00 0.00 N ATOM 492 CA LEU A 32 3.383 -5.457 -4.139 1.00 0.00 C ATOM 493 C LEU A 32 4.650 -5.356 -3.297 1.00 0.00 C ATOM 494 O LEU A 32 5.161 -4.261 -3.052 1.00 0.00 O ATOM 495 CB LEU A 32 2.172 -5.685 -3.234 1.00 0.00 C ATOM 496 CG LEU A 32 1.498 -4.427 -2.684 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.399 -4.797 -1.700 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.524 -3.519 -2.022 1.00 0.00 C ATOM 0 H LEU A 32 2.622 -7.038 -5.288 1.00 0.00 H new ATOM 0 HA LEU A 32 3.253 -4.519 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.430 -6.256 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.484 -6.303 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 32 1.046 -3.887 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.069 -3.889 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.350 -5.408 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.828 -5.360 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.027 -2.629 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.004 -4.051 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.277 -3.226 -2.754 1.00 0.00 H new ATOM 510 N LEU A 33 5.155 -6.503 -2.857 1.00 0.00 N ATOM 511 CA LEU A 33 6.365 -6.545 -2.043 1.00 0.00 C ATOM 512 C LEU A 33 7.550 -5.951 -2.799 1.00 0.00 C ATOM 513 O LEU A 33 8.195 -5.016 -2.326 1.00 0.00 O ATOM 514 CB LEU A 33 6.677 -7.984 -1.632 1.00 0.00 C ATOM 515 CG LEU A 33 5.921 -8.513 -0.412 1.00 0.00 C ATOM 516 CD1 LEU A 33 5.953 -10.033 -0.381 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.508 -7.939 0.869 1.00 0.00 C ATOM 0 H LEU A 33 4.745 -7.417 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 33 6.192 -5.948 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.463 -8.637 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.746 -8.060 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 33 4.881 -8.194 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.410 -10.391 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.485 -10.425 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.987 -10.374 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.958 -8.326 1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.556 -8.227 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.431 -6.852 0.849 1.00 0.00 H new ATOM 529 N ALA A 34 7.830 -6.501 -3.976 1.00 0.00 N ATOM 530 CA ALA A 34 8.934 -6.024 -4.799 1.00 0.00 C ATOM 531 C ALA A 34 9.061 -4.506 -4.721 1.00 0.00 C ATOM 532 O ALA A 34 10.148 -3.955 -4.896 1.00 0.00 O ATOM 533 CB ALA A 34 8.746 -6.466 -6.243 1.00 0.00 C ATOM 0 H ALA A 34 7.307 -7.278 -4.381 1.00 0.00 H new ATOM 0 HA ALA A 34 9.856 -6.460 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.578 -6.103 -6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.713 -7.555 -6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.812 -6.058 -6.630 1.00 0.00 H new ATOM 539 N ARG A 35 7.944 -3.836 -4.458 1.00 0.00 N ATOM 540 CA ARG A 35 7.930 -2.382 -4.358 1.00 0.00 C ATOM 541 C ARG A 35 8.372 -1.928 -2.971 1.00 0.00 C ATOM 542 O ARG A 35 9.224 -1.048 -2.835 1.00 0.00 O ATOM 543 CB ARG A 35 6.532 -1.842 -4.662 1.00 0.00 C ATOM 544 CG ARG A 35 6.217 -1.765 -6.147 1.00 0.00 C ATOM 545 CD ARG A 35 7.070 -0.716 -6.844 1.00 0.00 C ATOM 546 NE ARG A 35 6.566 -0.399 -8.178 1.00 0.00 N ATOM 547 CZ ARG A 35 6.840 0.732 -8.817 1.00 0.00 C ATOM 548 NH1 ARG A 35 7.609 1.650 -8.247 1.00 0.00 N ATOM 549 NH2 ARG A 35 6.345 0.948 -10.029 1.00 0.00 N ATOM 0 H ARG A 35 7.036 -4.277 -4.310 1.00 0.00 H new ATOM 0 HA ARG A 35 8.632 -1.986 -5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.793 -2.478 -4.175 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.433 -0.848 -4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.387 -2.738 -6.607 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.162 -1.528 -6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.094 0.191 -6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.096 -1.075 -6.920 1.00 0.00 H new ATOM 0 HE ARG A 35 5.971 -1.084 -8.644 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.992 1.488 -7.315 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.818 2.518 -8.740 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.753 0.245 -10.471 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.556 1.817 -10.519 1.00 0.00 H new ATOM 563 N LEU A 36 7.788 -2.533 -1.942 1.00 0.00 N ATOM 564 CA LEU A 36 8.121 -2.190 -0.564 1.00 0.00 C ATOM 565 C LEU A 36 9.496 -2.731 -0.185 1.00 0.00 C ATOM 566 O LEU A 36 10.360 -1.987 0.279 1.00 0.00 O ATOM 567 CB LEU A 36 7.062 -2.745 0.391 1.00 0.00 C ATOM 568 CG LEU A 36 5.651 -2.177 0.230 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.613 -3.191 0.686 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.508 -0.878 1.009 1.00 0.00 C ATOM 0 H LEU A 36 7.082 -3.263 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 36 8.143 -1.103 -0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.014 -3.826 0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.392 -2.562 1.414 1.00 0.00 H new ATOM 0 HG LEU A 36 5.483 -1.965 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.615 -2.770 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.700 -4.096 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.779 -3.434 1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.498 -0.488 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.696 -1.065 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.228 -0.149 0.636 1.00 0.00 H new ATOM 582 N GLN A 37 9.692 -4.030 -0.388 1.00 0.00 N ATOM 583 CA GLN A 37 10.963 -4.670 -0.070 1.00 0.00 C ATOM 584 C GLN A 37 12.134 -3.759 -0.423 1.00 0.00 C ATOM 585 O GLN A 37 13.202 -3.838 0.186 1.00 0.00 O ATOM 586 CB GLN A 37 11.091 -5.999 -0.817 1.00 0.00 C ATOM 587 CG GLN A 37 10.284 -7.127 -0.195 1.00 0.00 C ATOM 588 CD GLN A 37 11.087 -7.938 0.802 1.00 0.00 C ATOM 589 OE1 GLN A 37 10.870 -9.140 0.959 1.00 0.00 O ATOM 590 NE2 GLN A 37 12.022 -7.285 1.481 1.00 0.00 N ATOM 0 H GLN A 37 8.987 -4.660 -0.771 1.00 0.00 H new ATOM 0 HA GLN A 37 10.986 -4.862 1.003 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.768 -5.859 -1.849 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.141 -6.289 -0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.408 -6.710 0.303 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.919 -7.785 -0.983 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.168 -6.289 1.319 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.595 -7.780 2.165 1.00 0.00 H new ATOM 599 N LYS A 38 11.928 -2.895 -1.411 1.00 0.00 N ATOM 600 CA LYS A 38 12.966 -1.968 -1.846 1.00 0.00 C ATOM 601 C LYS A 38 13.301 -0.970 -0.742 1.00 0.00 C ATOM 602 O LYS A 38 14.464 -0.808 -0.371 1.00 0.00 O ATOM 603 CB LYS A 38 12.517 -1.222 -3.104 1.00 0.00 C ATOM 604 CG LYS A 38 12.422 -2.107 -4.335 1.00 0.00 C ATOM 605 CD LYS A 38 11.596 -1.453 -5.429 1.00 0.00 C ATOM 606 CE LYS A 38 12.244 -0.169 -5.925 1.00 0.00 C ATOM 607 NZ LYS A 38 13.085 -0.403 -7.132 1.00 0.00 N ATOM 0 H LYS A 38 11.051 -2.817 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 38 13.862 -2.545 -2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.544 -0.767 -2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.216 -0.410 -3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.423 -2.318 -4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.975 -3.063 -4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.478 -2.147 -6.261 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.597 -1.235 -5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.470 0.562 -6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.858 0.258 -5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.509 0.496 -7.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.839 -1.081 -6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.495 -0.787 -7.897 1.00 0.00 H new ATOM 621 N ASP A 39 12.276 -0.304 -0.222 1.00 0.00 N ATOM 622 CA ASP A 39 12.462 0.677 0.842 1.00 0.00 C ATOM 623 C ASP A 39 12.875 -0.004 2.143 1.00 0.00 C ATOM 624 O ASP A 39 13.361 0.645 3.068 1.00 0.00 O ATOM 625 CB ASP A 39 11.177 1.477 1.056 1.00 0.00 C ATOM 626 CG ASP A 39 11.447 2.882 1.560 1.00 0.00 C ATOM 627 OD1 ASP A 39 11.641 3.046 2.782 1.00 0.00 O ATOM 628 OD2 ASP A 39 11.464 3.816 0.731 1.00 0.00 O ATOM 0 H ASP A 39 11.308 -0.425 -0.519 1.00 0.00 H new ATOM 0 HA ASP A 39 13.259 1.357 0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.625 1.530 0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.541 0.954 1.770 1.00 0.00 H new ATOM 633 N GLY A 40 12.677 -1.318 2.207 1.00 0.00 N ATOM 634 CA GLY A 40 13.033 -2.064 3.399 1.00 0.00 C ATOM 635 C GLY A 40 11.830 -2.702 4.065 1.00 0.00 C ATOM 636 O GLY A 40 11.064 -2.029 4.755 1.00 0.00 O ATOM 0 H GLY A 40 12.277 -1.878 1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.753 -2.839 3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.526 -1.398 4.107 1.00 0.00 H new ATOM 640 N VAL A 41 11.661 -4.004 3.857 1.00 0.00 N ATOM 641 CA VAL A 41 10.541 -4.732 4.442 1.00 0.00 C ATOM 642 C VAL A 41 11.005 -5.625 5.587 1.00 0.00 C ATOM 643 O VAL A 41 12.133 -6.116 5.587 1.00 0.00 O ATOM 644 CB VAL A 41 9.823 -5.597 3.389 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.976 -6.666 4.063 1.00 0.00 C ATOM 646 CG2 VAL A 41 8.972 -4.728 2.477 1.00 0.00 C ATOM 0 H VAL A 41 12.285 -4.576 3.288 1.00 0.00 H new ATOM 0 HA VAL A 41 9.844 -3.987 4.826 1.00 0.00 H new ATOM 0 HB VAL A 41 10.576 -6.096 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.476 -7.267 3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.615 -7.307 4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.229 -6.191 4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.472 -5.355 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.225 -4.200 3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.608 -4.004 1.967 1.00 0.00 H new ATOM 656 N ASN A 42 10.126 -5.833 6.562 1.00 0.00 N ATOM 657 CA ASN A 42 10.445 -6.668 7.714 1.00 0.00 C ATOM 658 C ASN A 42 9.915 -8.085 7.523 1.00 0.00 C ATOM 659 O ASN A 42 8.749 -8.280 7.180 1.00 0.00 O ATOM 660 CB ASN A 42 9.858 -6.059 8.990 1.00 0.00 C ATOM 661 CG ASN A 42 10.816 -5.097 9.665 1.00 0.00 C ATOM 662 OD1 ASN A 42 11.879 -5.494 10.142 1.00 0.00 O ATOM 663 ND2 ASN A 42 10.442 -3.823 9.709 1.00 0.00 N ATOM 0 H ASN A 42 9.187 -5.435 6.577 1.00 0.00 H new ATOM 0 HA ASN A 42 11.530 -6.715 7.807 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.933 -5.536 8.747 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.600 -6.858 9.685 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.045 -3.129 10.151 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.552 -3.538 9.301 1.00 0.00 H new ATOM 670 N GLN A 43 10.778 -9.070 7.748 1.00 0.00 N ATOM 671 CA GLN A 43 10.396 -10.469 7.600 1.00 0.00 C ATOM 672 C GLN A 43 9.133 -10.776 8.398 1.00 0.00 C ATOM 673 O GLN A 43 8.265 -11.522 7.944 1.00 0.00 O ATOM 674 CB GLN A 43 11.536 -11.382 8.056 1.00 0.00 C ATOM 675 CG GLN A 43 12.043 -11.069 9.455 1.00 0.00 C ATOM 676 CD GLN A 43 13.322 -11.811 9.792 1.00 0.00 C ATOM 677 OE1 GLN A 43 14.326 -11.692 9.089 1.00 0.00 O ATOM 678 NE2 GLN A 43 13.291 -12.583 10.872 1.00 0.00 N ATOM 0 H GLN A 43 11.746 -8.925 8.033 1.00 0.00 H new ATOM 0 HA GLN A 43 10.191 -10.654 6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.196 -12.417 8.025 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.363 -11.297 7.351 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.216 -9.996 9.543 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.274 -11.329 10.183 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.437 -12.652 11.425 1.00 0.00 H new ATOM 0 HE22 GLN A 43 14.121 -13.107 11.148 1.00 0.00 H new ATOM 687 N LYS A 44 9.036 -10.195 9.589 1.00 0.00 N ATOM 688 CA LYS A 44 7.879 -10.405 10.451 1.00 0.00 C ATOM 689 C LYS A 44 6.612 -9.854 9.805 1.00 0.00 C ATOM 690 O LYS A 44 5.518 -10.377 10.016 1.00 0.00 O ATOM 691 CB LYS A 44 8.102 -9.738 11.810 1.00 0.00 C ATOM 692 CG LYS A 44 8.690 -8.341 11.713 1.00 0.00 C ATOM 693 CD LYS A 44 8.466 -7.552 12.992 1.00 0.00 C ATOM 694 CE LYS A 44 8.389 -6.058 12.719 1.00 0.00 C ATOM 695 NZ LYS A 44 8.090 -5.282 13.954 1.00 0.00 N ATOM 0 H LYS A 44 9.745 -9.575 9.979 1.00 0.00 H new ATOM 0 HA LYS A 44 7.755 -11.478 10.595 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.151 -9.687 12.341 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.767 -10.362 12.407 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.758 -8.408 11.508 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.237 -7.812 10.874 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.544 -7.884 13.469 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.277 -7.754 13.692 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.334 -5.717 12.296 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.618 -5.865 11.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.046 -4.268 13.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.176 -5.589 14.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.839 -5.446 14.657 1.00 0.00 H new ATOM 709 N ASP A 45 6.768 -8.796 9.017 1.00 0.00 N ATOM 710 CA ASP A 45 5.637 -8.175 8.337 1.00 0.00 C ATOM 711 C ASP A 45 5.322 -8.901 7.033 1.00 0.00 C ATOM 712 O ASP A 45 4.164 -8.989 6.623 1.00 0.00 O ATOM 713 CB ASP A 45 5.929 -6.700 8.057 1.00 0.00 C ATOM 714 CG ASP A 45 5.515 -5.800 9.204 1.00 0.00 C ATOM 715 OD1 ASP A 45 4.865 -6.300 10.145 1.00 0.00 O ATOM 716 OD2 ASP A 45 5.839 -4.594 9.159 1.00 0.00 O ATOM 0 H ASP A 45 7.667 -8.350 8.833 1.00 0.00 H new ATOM 0 HA ASP A 45 4.768 -8.247 8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.995 -6.573 7.866 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.405 -6.394 7.152 1.00 0.00 H new ATOM 721 N LYS A 46 6.359 -9.419 6.385 1.00 0.00 N ATOM 722 CA LYS A 46 6.194 -10.138 5.127 1.00 0.00 C ATOM 723 C LYS A 46 5.004 -11.089 5.195 1.00 0.00 C ATOM 724 O LYS A 46 4.244 -11.218 4.236 1.00 0.00 O ATOM 725 CB LYS A 46 7.467 -10.919 4.791 1.00 0.00 C ATOM 726 CG LYS A 46 8.512 -10.095 4.060 1.00 0.00 C ATOM 727 CD LYS A 46 9.480 -10.977 3.291 1.00 0.00 C ATOM 728 CE LYS A 46 10.342 -11.809 4.228 1.00 0.00 C ATOM 729 NZ LYS A 46 11.173 -12.798 3.487 1.00 0.00 N ATOM 0 H LYS A 46 7.324 -9.355 6.710 1.00 0.00 H new ATOM 0 HA LYS A 46 6.006 -9.406 4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.901 -11.304 5.714 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.203 -11.781 4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.019 -9.408 3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.064 -9.487 4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.923 -11.637 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.119 -10.356 2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.991 -11.150 4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.704 -12.332 4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.746 -13.345 4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.554 -13.443 2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.801 -12.298 2.826 1.00 0.00 H new ATOM 743 N ASN A 47 4.848 -11.753 6.336 1.00 0.00 N ATOM 744 CA ASN A 47 3.749 -12.692 6.530 1.00 0.00 C ATOM 745 C ASN A 47 2.443 -11.953 6.799 1.00 0.00 C ATOM 746 O ASN A 47 1.385 -12.337 6.300 1.00 0.00 O ATOM 747 CB ASN A 47 4.060 -13.641 7.689 1.00 0.00 C ATOM 748 CG ASN A 47 5.458 -14.222 7.603 1.00 0.00 C ATOM 749 OD1 ASN A 47 6.009 -14.384 6.513 1.00 0.00 O ATOM 750 ND2 ASN A 47 6.039 -14.539 8.754 1.00 0.00 N ATOM 0 H ASN A 47 5.469 -11.658 7.140 1.00 0.00 H new ATOM 0 HA ASN A 47 3.635 -13.273 5.615 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.949 -13.106 8.632 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.332 -14.452 7.696 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.979 -14.934 8.759 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.545 -14.387 9.633 1.00 0.00 H new ATOM 757 N SER A 48 2.524 -10.888 7.591 1.00 0.00 N ATOM 758 CA SER A 48 1.347 -10.096 7.930 1.00 0.00 C ATOM 759 C SER A 48 0.773 -9.419 6.689 1.00 0.00 C ATOM 760 O SER A 48 -0.429 -9.162 6.608 1.00 0.00 O ATOM 761 CB SER A 48 1.701 -9.043 8.981 1.00 0.00 C ATOM 762 OG SER A 48 2.253 -7.885 8.378 1.00 0.00 O ATOM 0 H SER A 48 3.392 -10.554 8.010 1.00 0.00 H new ATOM 0 HA SER A 48 0.592 -10.768 8.339 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.808 -8.773 9.544 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.413 -9.460 9.693 1.00 0.00 H new ATOM 0 HG SER A 48 2.945 -8.149 7.736 1.00 0.00 H new ATOM 768 N LEU A 49 1.640 -9.134 5.724 1.00 0.00 N ATOM 769 CA LEU A 49 1.220 -8.486 4.485 1.00 0.00 C ATOM 770 C LEU A 49 -0.053 -9.127 3.941 1.00 0.00 C ATOM 771 O LEU A 49 -1.081 -8.466 3.801 1.00 0.00 O ATOM 772 CB LEU A 49 2.334 -8.570 3.440 1.00 0.00 C ATOM 773 CG LEU A 49 2.365 -7.448 2.402 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.210 -7.853 1.204 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.953 -7.088 1.963 1.00 0.00 C ATOM 0 H LEU A 49 2.638 -9.341 5.775 1.00 0.00 H new ATOM 0 HA LEU A 49 1.013 -7.438 4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.292 -8.584 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.242 -9.521 2.915 1.00 0.00 H new ATOM 0 HG LEU A 49 2.817 -6.568 2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.221 -7.042 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.229 -8.061 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.787 -8.747 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.995 -6.288 1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.474 -7.963 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.377 -6.755 2.827 1.00 0.00 H new ATOM 787 N GLY A 50 0.024 -10.419 3.636 1.00 0.00 N ATOM 788 CA GLY A 50 -1.129 -11.127 3.112 1.00 0.00 C ATOM 789 C GLY A 50 -2.404 -10.793 3.860 1.00 0.00 C ATOM 790 O GLY A 50 -3.462 -10.628 3.254 1.00 0.00 O ATOM 0 H GLY A 50 0.864 -10.988 3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.255 -10.880 2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.949 -12.201 3.169 1.00 0.00 H new ATOM 794 N ALA A 51 -2.304 -10.693 5.182 1.00 0.00 N ATOM 795 CA ALA A 51 -3.459 -10.376 6.013 1.00 0.00 C ATOM 796 C ALA A 51 -3.952 -8.958 5.749 1.00 0.00 C ATOM 797 O ALA A 51 -5.151 -8.727 5.593 1.00 0.00 O ATOM 798 CB ALA A 51 -3.113 -10.552 7.485 1.00 0.00 C ATOM 0 H ALA A 51 -1.435 -10.827 5.700 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.263 -11.065 5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.984 -10.312 8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.815 -11.584 7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.291 -9.886 7.748 1.00 0.00 H new ATOM 804 N ILE A 52 -3.020 -8.011 5.702 1.00 0.00 N ATOM 805 CA ILE A 52 -3.362 -6.616 5.456 1.00 0.00 C ATOM 806 C ILE A 52 -4.041 -6.446 4.102 1.00 0.00 C ATOM 807 O ILE A 52 -5.093 -5.813 3.997 1.00 0.00 O ATOM 808 CB ILE A 52 -2.115 -5.713 5.510 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.442 -5.817 6.880 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.491 -4.271 5.206 1.00 0.00 C ATOM 811 CD1 ILE A 52 -0.038 -5.255 6.907 1.00 0.00 C ATOM 0 H ILE A 52 -2.023 -8.185 5.831 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.052 -6.317 6.245 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.408 -6.050 4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.050 -5.290 7.615 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.412 -6.864 7.183 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.599 -3.646 5.248 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.929 -4.212 4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.215 -3.921 5.942 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.378 -5.362 7.909 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.585 -5.798 6.196 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.063 -4.200 6.636 1.00 0.00 H new ATOM 823 N LEU A 53 -3.434 -7.016 3.066 1.00 0.00 N ATOM 824 CA LEU A 53 -3.981 -6.929 1.717 1.00 0.00 C ATOM 825 C LEU A 53 -5.488 -7.167 1.723 1.00 0.00 C ATOM 826 O LEU A 53 -6.220 -6.587 0.921 1.00 0.00 O ATOM 827 CB LEU A 53 -3.297 -7.947 0.802 1.00 0.00 C ATOM 828 CG LEU A 53 -1.886 -7.588 0.335 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.162 -8.823 -0.177 1.00 0.00 C ATOM 830 CD2 LEU A 53 -1.938 -6.514 -0.742 1.00 0.00 C ATOM 0 H LEU A 53 -2.563 -7.543 3.135 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.792 -5.924 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.253 -8.903 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.923 -8.093 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.332 -7.194 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.160 -8.547 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.092 -9.561 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.714 -9.247 -1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.925 -6.271 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.510 -6.881 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.416 -5.620 -0.342 1.00 0.00 H new ATOM 842 N GLN A 54 -5.943 -8.020 2.635 1.00 0.00 N ATOM 843 CA GLN A 54 -7.363 -8.332 2.746 1.00 0.00 C ATOM 844 C GLN A 54 -8.062 -7.358 3.688 1.00 0.00 C ATOM 845 O GLN A 54 -9.273 -7.156 3.600 1.00 0.00 O ATOM 846 CB GLN A 54 -7.554 -9.766 3.243 1.00 0.00 C ATOM 847 CG GLN A 54 -7.615 -10.794 2.125 1.00 0.00 C ATOM 848 CD GLN A 54 -7.611 -12.220 2.642 1.00 0.00 C ATOM 849 OE1 GLN A 54 -7.004 -12.517 3.671 1.00 0.00 O ATOM 850 NE2 GLN A 54 -8.291 -13.110 1.929 1.00 0.00 N ATOM 0 H GLN A 54 -5.350 -8.507 3.307 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.809 -8.235 1.756 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.735 -10.021 3.915 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.473 -9.820 3.826 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.515 -10.629 1.533 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.765 -10.651 1.458 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.780 -12.819 1.082 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.325 -14.085 2.228 1.00 0.00 H new ATOM 859 N GLN A 55 -7.291 -6.757 4.589 1.00 0.00 N ATOM 860 CA GLN A 55 -7.838 -5.804 5.548 1.00 0.00 C ATOM 861 C GLN A 55 -8.035 -4.436 4.904 1.00 0.00 C ATOM 862 O GLN A 55 -8.852 -3.636 5.360 1.00 0.00 O ATOM 863 CB GLN A 55 -6.913 -5.682 6.761 1.00 0.00 C ATOM 864 CG GLN A 55 -6.918 -6.910 7.656 1.00 0.00 C ATOM 865 CD GLN A 55 -6.621 -6.577 9.105 1.00 0.00 C ATOM 866 OE1 GLN A 55 -5.485 -6.268 9.462 1.00 0.00 O ATOM 867 NE2 GLN A 55 -7.645 -6.640 9.948 1.00 0.00 N ATOM 0 H GLN A 55 -6.287 -6.913 4.675 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.809 -6.174 5.876 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.896 -5.499 6.415 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.211 -4.813 7.348 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.890 -7.398 7.591 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.178 -7.623 7.292 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.570 -6.901 9.608 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.506 -6.427 10.936 1.00 0.00 H new ATOM 876 N VAL A 56 -7.282 -4.173 3.841 1.00 0.00 N ATOM 877 CA VAL A 56 -7.375 -2.902 3.133 1.00 0.00 C ATOM 878 C VAL A 56 -7.673 -3.117 1.654 1.00 0.00 C ATOM 879 O VAL A 56 -8.194 -2.229 0.980 1.00 0.00 O ATOM 880 CB VAL A 56 -6.075 -2.087 3.271 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.816 -1.736 4.728 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.901 -2.855 2.682 1.00 0.00 C ATOM 0 H VAL A 56 -6.600 -4.824 3.451 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.194 -2.345 3.588 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.189 -1.157 2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.894 -1.160 4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.646 -1.144 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.722 -2.652 5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.991 -2.265 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.784 -3.801 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.087 -3.050 1.626 1.00 0.00 H new ATOM 892 N ALA A 57 -7.338 -4.302 1.154 1.00 0.00 N ATOM 893 CA ALA A 57 -7.572 -4.635 -0.245 1.00 0.00 C ATOM 894 C ALA A 57 -8.390 -5.916 -0.375 1.00 0.00 C ATOM 895 O ALA A 57 -8.725 -6.553 0.622 1.00 0.00 O ATOM 896 CB ALA A 57 -6.248 -4.775 -0.983 1.00 0.00 C ATOM 0 H ALA A 57 -6.903 -5.048 1.698 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.143 -3.823 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.438 -5.024 -2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.700 -3.835 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.657 -5.567 -0.523 1.00 0.00 H new ATOM 902 N ASN A 58 -8.709 -6.285 -1.612 1.00 0.00 N ATOM 903 CA ASN A 58 -9.490 -7.489 -1.872 1.00 0.00 C ATOM 904 C ASN A 58 -8.813 -8.360 -2.926 1.00 0.00 C ATOM 905 O ASN A 58 -8.433 -7.878 -3.994 1.00 0.00 O ATOM 906 CB ASN A 58 -10.901 -7.118 -2.331 1.00 0.00 C ATOM 907 CG ASN A 58 -11.710 -6.454 -1.234 1.00 0.00 C ATOM 908 OD1 ASN A 58 -12.000 -7.064 -0.204 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.079 -5.196 -1.449 1.00 0.00 N ATOM 0 H ASN A 58 -8.439 -5.768 -2.449 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.555 -8.057 -0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.837 -6.447 -3.188 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.419 -8.016 -2.667 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.624 -4.697 -0.746 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.817 -4.729 -2.317 1.00 0.00 H new ATOM 916 N LEU A 59 -8.665 -9.644 -2.619 1.00 0.00 N ATOM 917 CA LEU A 59 -8.034 -10.583 -3.540 1.00 0.00 C ATOM 918 C LEU A 59 -9.006 -11.005 -4.638 1.00 0.00 C ATOM 919 O LEU A 59 -10.177 -11.274 -4.373 1.00 0.00 O ATOM 920 CB LEU A 59 -7.536 -11.814 -2.782 1.00 0.00 C ATOM 921 CG LEU A 59 -6.311 -12.515 -3.371 1.00 0.00 C ATOM 922 CD1 LEU A 59 -5.926 -13.719 -2.525 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.576 -12.935 -4.809 1.00 0.00 C ATOM 0 H LEU A 59 -8.973 -10.059 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.185 -10.083 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.303 -11.517 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.351 -12.536 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.478 -11.812 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.052 -14.205 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.693 -13.392 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.757 -14.424 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.693 -13.432 -5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.423 -13.620 -4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.802 -12.054 -5.410 1.00 0.00 H new ATOM 935 N ASN A 60 -8.510 -11.064 -5.870 1.00 0.00 N ATOM 936 CA ASN A 60 -9.334 -11.455 -7.007 1.00 0.00 C ATOM 937 C ASN A 60 -8.806 -12.736 -7.646 1.00 0.00 C ATOM 938 O ASN A 60 -7.902 -12.699 -8.481 1.00 0.00 O ATOM 939 CB ASN A 60 -9.373 -10.333 -8.046 1.00 0.00 C ATOM 940 CG ASN A 60 -10.659 -10.333 -8.849 1.00 0.00 C ATOM 941 OD1 ASN A 60 -10.655 -10.608 -10.049 1.00 0.00 O ATOM 942 ND2 ASN A 60 -11.769 -10.022 -8.189 1.00 0.00 N ATOM 0 H ASN A 60 -7.542 -10.846 -6.106 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.345 -11.640 -6.644 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.262 -9.372 -7.543 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.525 -10.439 -8.723 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.665 -10.004 -8.677 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.726 -9.801 -7.194 1.00 0.00 H new ATOM 949 N SER A 61 -9.377 -13.869 -7.248 1.00 0.00 N ATOM 950 CA SER A 61 -8.962 -15.162 -7.779 1.00 0.00 C ATOM 951 C SER A 61 -8.670 -15.067 -9.273 1.00 0.00 C ATOM 952 O SER A 61 -7.768 -15.731 -9.785 1.00 0.00 O ATOM 953 CB SER A 61 -10.046 -16.212 -7.525 1.00 0.00 C ATOM 954 OG SER A 61 -10.149 -16.515 -6.145 1.00 0.00 O ATOM 0 H SER A 61 -10.128 -13.917 -6.560 1.00 0.00 H new ATOM 0 HA SER A 61 -8.048 -15.462 -7.267 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.005 -15.846 -7.893 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.816 -17.119 -8.084 1.00 0.00 H new ATOM 0 HG SER A 61 -10.849 -17.187 -6.009 1.00 0.00 H new ATOM 960 N LYS A 62 -9.439 -14.236 -9.969 1.00 0.00 N ATOM 961 CA LYS A 62 -9.263 -14.051 -11.404 1.00 0.00 C ATOM 962 C LYS A 62 -7.783 -13.991 -11.768 1.00 0.00 C ATOM 963 O LYS A 62 -7.257 -14.895 -12.417 1.00 0.00 O ATOM 964 CB LYS A 62 -9.965 -12.771 -11.864 1.00 0.00 C ATOM 965 CG LYS A 62 -10.408 -12.809 -13.316 1.00 0.00 C ATOM 966 CD LYS A 62 -11.576 -11.870 -13.567 1.00 0.00 C ATOM 967 CE LYS A 62 -12.470 -12.379 -14.688 1.00 0.00 C ATOM 968 NZ LYS A 62 -11.975 -11.957 -16.027 1.00 0.00 N ATOM 0 H LYS A 62 -10.191 -13.680 -9.562 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.709 -14.906 -11.912 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.836 -12.597 -11.232 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.292 -11.926 -11.720 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.573 -12.533 -13.960 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.694 -13.826 -13.584 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.161 -11.763 -12.654 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.199 -10.879 -13.822 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.521 -13.467 -14.646 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.484 -12.006 -14.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.611 -12.324 -16.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.950 -10.918 -16.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.017 -12.334 -16.178 1.00 0.00 H new ATOM 982 N ASP A 63 -7.118 -12.922 -11.346 1.00 0.00 N ATOM 983 CA ASP A 63 -5.697 -12.746 -11.625 1.00 0.00 C ATOM 984 C ASP A 63 -4.889 -12.713 -10.332 1.00 0.00 C ATOM 985 O ASP A 63 -3.822 -12.100 -10.269 1.00 0.00 O ATOM 986 CB ASP A 63 -5.468 -11.458 -12.418 1.00 0.00 C ATOM 987 CG ASP A 63 -4.096 -11.411 -13.062 1.00 0.00 C ATOM 988 OD1 ASP A 63 -3.904 -12.083 -14.096 1.00 0.00 O ATOM 989 OD2 ASP A 63 -3.215 -10.703 -12.531 1.00 0.00 O ATOM 0 H ASP A 63 -7.540 -12.164 -10.809 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.360 -13.595 -12.220 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.232 -11.370 -13.190 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.585 -10.601 -11.755 1.00 0.00 H new ATOM 994 N LEU A 64 -5.405 -13.374 -9.301 1.00 0.00 N ATOM 995 CA LEU A 64 -4.731 -13.419 -8.008 1.00 0.00 C ATOM 996 C LEU A 64 -4.109 -12.069 -7.670 1.00 0.00 C ATOM 997 O LEU A 64 -3.000 -12.000 -7.141 1.00 0.00 O ATOM 998 CB LEU A 64 -3.653 -14.504 -8.010 1.00 0.00 C ATOM 999 CG LEU A 64 -4.140 -15.935 -7.777 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -3.085 -16.937 -8.220 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.495 -16.145 -6.312 1.00 0.00 C ATOM 0 H LEU A 64 -6.287 -13.885 -9.335 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.475 -13.656 -7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.133 -14.470 -8.968 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.920 -14.261 -7.241 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.037 -16.095 -8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.449 -17.950 -8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.879 -16.803 -9.282 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.170 -16.778 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.840 -17.168 -6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.614 -15.966 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.286 -15.451 -6.026 1.00 0.00 H new ATOM 1013 N SER A 65 -4.832 -10.996 -7.976 1.00 0.00 N ATOM 1014 CA SER A 65 -4.350 -9.647 -7.707 1.00 0.00 C ATOM 1015 C SER A 65 -5.155 -8.997 -6.585 1.00 0.00 C ATOM 1016 O SER A 65 -6.358 -9.227 -6.455 1.00 0.00 O ATOM 1017 CB SER A 65 -4.433 -8.790 -8.972 1.00 0.00 C ATOM 1018 OG SER A 65 -5.780 -8.551 -9.339 1.00 0.00 O ATOM 0 H SER A 65 -5.754 -11.035 -8.411 1.00 0.00 H new ATOM 0 HA SER A 65 -3.309 -9.716 -7.392 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.924 -7.840 -8.806 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.914 -9.291 -9.789 1.00 0.00 H new ATOM 0 HG SER A 65 -5.806 -8.000 -10.149 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.483 -8.184 -5.778 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.133 -7.502 -4.665 1.00 0.00 C ATOM 1026 C TYR A 66 -5.554 -6.090 -5.063 1.00 0.00 C ATOM 1027 O TYR A 66 -4.728 -5.277 -5.481 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.198 -7.446 -3.457 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.106 -8.752 -2.701 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -5.123 -9.155 -1.844 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -3.003 -9.585 -2.845 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -5.043 -10.347 -1.152 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -2.915 -10.780 -2.157 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.937 -11.156 -1.312 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.854 -12.346 -0.624 1.00 0.00 O ATOM 0 H TYR A 66 -3.488 -7.981 -5.874 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.026 -8.067 -4.398 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.201 -7.159 -3.793 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.542 -6.666 -2.778 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.991 -8.525 -1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.201 -9.293 -3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.842 -10.645 -0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.051 -11.416 -2.281 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.013 -12.796 -0.849 1.00 0.00 H new ATOM 1045 N THR A 67 -6.845 -5.804 -4.930 1.00 0.00 N ATOM 1046 CA THR A 67 -7.377 -4.492 -5.275 1.00 0.00 C ATOM 1047 C THR A 67 -7.680 -3.675 -4.024 1.00 0.00 C ATOM 1048 O THR A 67 -8.424 -4.116 -3.147 1.00 0.00 O ATOM 1049 CB THR A 67 -8.660 -4.611 -6.120 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.716 -5.169 -5.331 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.422 -5.479 -7.346 1.00 0.00 C ATOM 0 H THR A 67 -7.542 -6.464 -4.585 1.00 0.00 H new ATOM 0 HA THR A 67 -6.611 -3.984 -5.860 1.00 0.00 H new ATOM 0 HB THR A 67 -8.944 -3.612 -6.452 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.498 -5.076 -4.380 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.342 -5.548 -7.927 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.638 -5.035 -7.959 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.115 -6.477 -7.032 1.00 0.00 H new ATOM 1059 N LEU A 68 -7.100 -2.483 -3.947 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.308 -1.603 -2.803 1.00 0.00 C ATOM 1061 C LEU A 68 -8.790 -1.290 -2.619 1.00 0.00 C ATOM 1062 O LEU A 68 -9.469 -0.872 -3.557 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.520 -0.304 -2.982 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.036 0.371 -1.698 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -5.922 1.874 -1.896 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -6.974 0.052 -0.543 1.00 0.00 C ATOM 0 H LEU A 68 -6.481 -2.103 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.950 -2.118 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.652 -0.512 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.144 0.404 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.047 -0.018 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.576 2.338 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.211 2.083 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.897 2.281 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.615 0.540 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.975 0.413 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.005 -1.026 -0.386 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.286 -1.494 -1.403 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.686 -1.231 -1.093 1.00 0.00 C ATOM 1080 C LYS A 69 -11.089 0.170 -1.543 1.00 0.00 C ATOM 1081 O LYS A 69 -10.281 0.907 -2.108 1.00 0.00 O ATOM 1082 CB LYS A 69 -10.936 -1.388 0.408 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.042 -2.834 0.860 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.870 -2.962 2.364 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.645 -4.409 2.778 1.00 0.00 C ATOM 1086 NZ LYS A 69 -11.928 -5.117 3.038 1.00 0.00 N ATOM 0 H LYS A 69 -8.738 -1.841 -0.616 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.294 -1.956 -1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.127 -0.904 0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.856 -0.866 0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.012 -3.237 0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.283 -3.431 0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.025 -2.354 2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.755 -2.572 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.095 -4.930 1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.026 -4.438 3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.732 -6.099 3.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.441 -4.635 3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.508 -5.112 2.175 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.342 0.531 -1.288 1.00 0.00 N ATOM 1101 CA ASP A 70 -12.851 1.844 -1.664 1.00 0.00 C ATOM 1102 C ASP A 70 -12.798 2.807 -0.482 1.00 0.00 C ATOM 1103 O ASP A 70 -12.475 3.984 -0.641 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.286 1.730 -2.181 1.00 0.00 C ATOM 1105 CG ASP A 70 -14.922 3.083 -2.428 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -14.876 3.936 -1.517 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -15.467 3.291 -3.533 1.00 0.00 O ATOM 0 H ASP A 70 -13.024 -0.068 -0.822 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.217 2.238 -2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.291 1.155 -3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.886 1.176 -1.459 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.119 2.298 0.703 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.112 3.114 1.912 1.00 0.00 C ATOM 1114 C TYR A 71 -11.692 3.539 2.273 1.00 0.00 C ATOM 1115 O TYR A 71 -11.453 4.686 2.652 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.737 2.343 3.076 1.00 0.00 C ATOM 1117 CG TYR A 71 -12.725 1.624 3.939 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.219 0.385 3.565 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.275 2.183 5.128 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.295 -0.276 4.350 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.350 1.530 5.919 1.00 0.00 C ATOM 1122 CZ TYR A 71 -10.863 0.301 5.526 1.00 0.00 C ATOM 1123 OH TYR A 71 -9.942 -0.354 6.313 1.00 0.00 O ATOM 0 H TYR A 71 -13.387 1.325 0.852 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.703 4.010 1.719 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.304 3.036 3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.446 1.616 2.680 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.554 -0.069 2.644 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.655 3.145 5.439 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.913 -1.239 4.045 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.010 1.979 6.840 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.743 0.189 7.105 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.753 2.607 2.152 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.355 2.884 2.463 1.00 0.00 C ATOM 1135 C VAL A 72 -8.865 4.127 1.730 1.00 0.00 C ATOM 1136 O VAL A 72 -8.025 4.870 2.239 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.451 1.693 2.093 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -6.985 2.075 2.226 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -8.777 0.488 2.961 1.00 0.00 C ATOM 0 H VAL A 72 -10.934 1.653 1.841 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.298 3.054 3.538 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.639 1.425 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.361 1.222 1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.764 2.908 1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.778 2.370 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.129 -0.344 2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.618 0.741 4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.818 0.202 2.811 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.395 4.349 0.532 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.012 5.503 -0.273 1.00 0.00 C ATOM 1151 C PHE A 73 -9.051 6.782 0.558 1.00 0.00 C ATOM 1152 O PHE A 73 -8.261 7.702 0.341 1.00 0.00 O ATOM 1153 CB PHE A 73 -9.938 5.639 -1.483 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.674 4.623 -2.557 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.380 4.360 -2.977 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -10.720 3.932 -3.148 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.133 3.425 -3.965 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.479 2.996 -4.136 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.184 2.743 -4.546 1.00 0.00 C ATOM 0 H PHE A 73 -10.092 3.744 0.097 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.991 5.348 -0.622 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.972 5.545 -1.151 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.828 6.638 -1.904 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.555 4.892 -2.527 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.734 4.127 -2.833 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.120 3.228 -4.282 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.303 2.463 -4.587 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.994 2.013 -5.319 1.00 0.00 H new ATOM 1169 N LYS A 74 -9.976 6.834 1.510 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.120 7.999 2.376 1.00 0.00 C ATOM 1171 C LYS A 74 -8.991 8.059 3.399 1.00 0.00 C ATOM 1172 O LYS A 74 -8.583 9.140 3.823 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.471 7.964 3.093 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.444 7.197 4.404 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.819 7.146 5.048 1.00 0.00 C ATOM 1176 CE LYS A 74 -13.782 6.289 4.241 1.00 0.00 C ATOM 1177 NZ LYS A 74 -15.079 6.096 4.946 1.00 0.00 N ATOM 0 H LYS A 74 -10.638 6.082 1.702 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.070 8.892 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.797 8.986 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.212 7.513 2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.087 6.183 4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.738 7.668 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.734 6.746 6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.217 8.157 5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.961 6.758 3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.327 5.318 4.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.707 5.507 4.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.912 5.626 5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.526 7.021 5.110 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.490 6.892 3.791 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.407 6.813 4.764 1.00 0.00 C ATOM 1193 C GLU A 75 -6.080 7.228 4.136 1.00 0.00 C ATOM 1194 O GLU A 75 -5.162 7.670 4.829 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.297 5.394 5.325 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.565 4.910 6.009 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.297 3.831 7.040 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -7.536 4.097 7.994 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -8.848 2.720 6.892 1.00 0.00 O ATOM 0 H GLU A 75 -8.817 5.988 3.450 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.634 7.501 5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.048 4.710 4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.473 5.357 6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.058 5.754 6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.255 4.526 5.257 1.00 0.00 H new ATOM 1206 N LEU A 76 -5.984 7.081 2.819 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.769 7.439 2.096 1.00 0.00 C ATOM 1208 C LEU A 76 -4.308 8.845 2.467 1.00 0.00 C ATOM 1209 O LEU A 76 -4.960 9.534 3.251 1.00 0.00 O ATOM 1210 CB LEU A 76 -5.004 7.349 0.587 1.00 0.00 C ATOM 1211 CG LEU A 76 -5.097 5.938 0.005 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.581 5.986 -1.436 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -3.751 5.234 0.095 1.00 0.00 C ATOM 0 H LEU A 76 -6.733 6.716 2.230 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.987 6.734 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.927 7.879 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.195 7.876 0.081 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.820 5.371 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.641 4.973 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.567 6.449 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.882 6.570 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.836 4.231 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.006 5.799 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.445 5.166 1.139 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.183 9.263 1.897 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.637 10.588 2.167 1.00 0.00 C ATOM 1227 C GLN A 77 -2.171 11.258 0.879 1.00 0.00 C ATOM 1228 O GLN A 77 -1.302 10.740 0.177 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.473 10.491 3.155 1.00 0.00 C ATOM 1230 CG GLN A 77 -1.749 9.569 4.332 1.00 0.00 C ATOM 1231 CD GLN A 77 -2.381 10.293 5.504 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -2.914 11.393 5.355 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -2.324 9.679 6.680 1.00 0.00 N ATOM 0 H GLN A 77 -2.632 8.704 1.246 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.428 11.197 2.606 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.588 10.137 2.627 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.243 11.488 3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.408 8.762 4.010 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.815 9.109 4.655 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.873 8.768 6.758 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.732 10.119 7.505 1.00 0.00 H new ATOM 1242 N ARG A 78 -2.755 12.412 0.574 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.401 13.153 -0.632 1.00 0.00 C ATOM 1244 C ARG A 78 -0.946 13.608 -0.582 1.00 0.00 C ATOM 1245 O ARG A 78 -0.301 13.774 -1.617 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.321 14.363 -0.800 1.00 0.00 C ATOM 1247 CG ARG A 78 -4.587 14.062 -1.585 1.00 0.00 C ATOM 1248 CD ARG A 78 -5.121 15.305 -2.280 1.00 0.00 C ATOM 1249 NE ARG A 78 -5.412 16.378 -1.333 1.00 0.00 N ATOM 1250 CZ ARG A 78 -5.641 17.636 -1.695 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -5.612 17.976 -2.977 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -5.899 18.556 -0.775 1.00 0.00 N ATOM 0 H ARG A 78 -3.475 12.855 1.145 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.526 12.489 -1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.596 14.739 0.185 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.772 15.159 -1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.382 13.289 -2.326 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.347 13.665 -0.913 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.391 15.654 -3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.027 15.052 -2.831 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.441 16.149 -0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.414 17.271 -3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.788 18.942 -3.252 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.922 18.298 0.212 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.075 19.521 -1.054 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.436 13.810 0.628 1.00 0.00 N ATOM 1267 CA ASP A 79 0.943 14.246 0.813 1.00 0.00 C ATOM 1268 C ASP A 79 1.877 13.049 0.959 1.00 0.00 C ATOM 1269 O ASP A 79 2.927 13.142 1.595 1.00 0.00 O ATOM 1270 CB ASP A 79 1.055 15.148 2.044 1.00 0.00 C ATOM 1271 CG ASP A 79 2.332 15.964 2.050 1.00 0.00 C ATOM 1272 OD1 ASP A 79 2.814 16.320 0.954 1.00 0.00 O ATOM 1273 OD2 ASP A 79 2.851 16.247 3.150 1.00 0.00 O ATOM 0 H ASP A 79 -0.957 13.679 1.495 1.00 0.00 H new ATOM 0 HA ASP A 79 1.240 14.811 -0.071 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.198 15.820 2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.015 14.535 2.945 1.00 0.00 H new ATOM 1278 N TRP A 80 1.488 11.926 0.366 1.00 0.00 N ATOM 1279 CA TRP A 80 2.290 10.710 0.430 1.00 0.00 C ATOM 1280 C TRP A 80 3.561 10.851 -0.400 1.00 0.00 C ATOM 1281 O TRP A 80 3.519 11.088 -1.607 1.00 0.00 O ATOM 1282 CB TRP A 80 1.476 9.511 -0.060 1.00 0.00 C ATOM 1283 CG TRP A 80 2.197 8.205 0.083 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.690 7.426 -0.924 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.505 7.526 1.305 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.285 6.303 -0.402 1.00 0.00 N ATOM 1287 CE2 TRP A 80 3.185 6.341 0.963 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.273 7.804 2.655 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.634 5.437 1.923 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.719 6.906 3.606 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.394 5.735 3.237 1.00 0.00 C ATOM 0 H TRP A 80 0.622 11.832 -0.165 1.00 0.00 H new ATOM 0 HA TRP A 80 2.574 10.547 1.470 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.540 9.464 0.497 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.216 9.661 -1.108 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.622 7.658 -1.977 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.729 5.561 -0.943 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.755 8.704 2.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.153 4.533 1.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.544 7.110 4.652 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.732 5.054 4.004 1.00 0.00 H new ATOM 1302 N PRO A 81 4.719 10.704 0.260 1.00 0.00 N ATOM 1303 CA PRO A 81 6.025 10.811 -0.399 1.00 0.00 C ATOM 1304 C PRO A 81 6.297 9.641 -1.337 1.00 0.00 C ATOM 1305 O PRO A 81 7.339 9.586 -1.991 1.00 0.00 O ATOM 1306 CB PRO A 81 7.013 10.801 0.770 1.00 0.00 C ATOM 1307 CG PRO A 81 6.300 10.083 1.863 1.00 0.00 C ATOM 1308 CD PRO A 81 4.844 10.421 1.700 1.00 0.00 C ATOM 0 HA PRO A 81 6.095 11.700 -1.026 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.939 10.293 0.501 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.281 11.814 1.071 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.461 9.007 1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.666 10.397 2.840 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.203 9.594 2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.561 11.282 2.305 1.00 0.00 H new ATOM 1316 N GLY A 82 5.354 8.706 -1.400 1.00 0.00 N ATOM 1317 CA GLY A 82 5.512 7.549 -2.263 1.00 0.00 C ATOM 1318 C GLY A 82 5.001 7.799 -3.668 1.00 0.00 C ATOM 1319 O GLY A 82 5.197 6.977 -4.563 1.00 0.00 O ATOM 0 H GLY A 82 4.483 8.729 -0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.566 7.274 -2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.979 6.702 -1.831 1.00 0.00 H new ATOM 1323 N TYR A 83 4.343 8.937 -3.862 1.00 0.00 N ATOM 1324 CA TYR A 83 3.799 9.291 -5.168 1.00 0.00 C ATOM 1325 C TYR A 83 4.693 10.306 -5.874 1.00 0.00 C ATOM 1326 O TYR A 83 4.844 11.440 -5.419 1.00 0.00 O ATOM 1327 CB TYR A 83 2.386 9.857 -5.018 1.00 0.00 C ATOM 1328 CG TYR A 83 1.394 8.867 -4.452 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.355 7.555 -4.908 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.494 9.243 -3.462 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.450 6.646 -4.394 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.414 8.341 -2.942 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.432 7.044 -3.411 1.00 0.00 C ATOM 1334 OH TYR A 83 -1.336 6.143 -2.896 1.00 0.00 O ATOM 0 H TYR A 83 4.174 9.629 -3.132 1.00 0.00 H new ATOM 0 HA TYR A 83 3.759 8.386 -5.774 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.422 10.733 -4.371 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.034 10.195 -5.993 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.044 7.240 -5.678 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.505 10.258 -3.093 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.433 5.630 -4.760 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.106 8.650 -2.172 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.147 5.250 -3.252 1.00 0.00 H new ATOM 1344 N SER A 84 5.283 9.889 -6.989 1.00 0.00 N ATOM 1345 CA SER A 84 6.165 10.759 -7.758 1.00 0.00 C ATOM 1346 C SER A 84 5.382 11.906 -8.389 1.00 0.00 C ATOM 1347 O SER A 84 4.161 11.981 -8.262 1.00 0.00 O ATOM 1348 CB SER A 84 6.885 9.959 -8.846 1.00 0.00 C ATOM 1349 OG SER A 84 7.492 8.798 -8.306 1.00 0.00 O ATOM 0 H SER A 84 5.166 8.954 -7.380 1.00 0.00 H new ATOM 0 HA SER A 84 6.905 11.179 -7.076 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.175 9.675 -9.623 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.643 10.583 -9.320 1.00 0.00 H new ATOM 0 HG SER A 84 7.944 8.303 -9.021 1.00 0.00 H new ATOM 1355 N GLU A 85 6.096 12.798 -9.070 1.00 0.00 N ATOM 1356 CA GLU A 85 5.468 13.942 -9.720 1.00 0.00 C ATOM 1357 C GLU A 85 4.249 13.507 -10.530 1.00 0.00 C ATOM 1358 O GLU A 85 3.309 14.278 -10.719 1.00 0.00 O ATOM 1359 CB GLU A 85 6.470 14.653 -10.631 1.00 0.00 C ATOM 1360 CG GLU A 85 5.819 15.541 -11.678 1.00 0.00 C ATOM 1361 CD GLU A 85 6.821 16.118 -12.659 1.00 0.00 C ATOM 1362 OE1 GLU A 85 7.964 16.400 -12.244 1.00 0.00 O ATOM 1363 OE2 GLU A 85 6.461 16.287 -13.843 1.00 0.00 O ATOM 0 H GLU A 85 7.108 12.750 -9.185 1.00 0.00 H new ATOM 0 HA GLU A 85 5.140 14.633 -8.943 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.139 15.258 -10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.086 13.906 -11.132 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.072 14.965 -12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.292 16.356 -11.181 1.00 0.00 H new ATOM 1370 N ILE A 86 4.275 12.266 -11.004 1.00 0.00 N ATOM 1371 CA ILE A 86 3.173 11.727 -11.792 1.00 0.00 C ATOM 1372 C ILE A 86 2.136 11.054 -10.900 1.00 0.00 C ATOM 1373 O ILE A 86 0.959 11.415 -10.918 1.00 0.00 O ATOM 1374 CB ILE A 86 3.672 10.711 -12.837 1.00 0.00 C ATOM 1375 CG1 ILE A 86 4.804 11.317 -13.669 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.526 10.268 -13.734 1.00 0.00 C ATOM 1377 CD1 ILE A 86 6.151 11.270 -12.982 1.00 0.00 C ATOM 0 H ILE A 86 5.046 11.615 -10.856 1.00 0.00 H new ATOM 0 HA ILE A 86 2.713 12.570 -12.307 1.00 0.00 H new ATOM 0 HB ILE A 86 4.059 9.835 -12.316 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.871 10.786 -14.618 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.559 12.354 -13.900 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.894 9.550 -14.467 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.749 9.802 -13.128 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.112 11.134 -14.250 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.906 11.717 -13.630 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.101 11.826 -12.046 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.418 10.234 -12.775 1.00 0.00 H new ATOM 1389 N ASP A 87 2.581 10.077 -10.119 1.00 0.00 N ATOM 1390 CA ASP A 87 1.692 9.354 -9.216 1.00 0.00 C ATOM 1391 C ASP A 87 0.688 10.303 -8.568 1.00 0.00 C ATOM 1392 O ASP A 87 -0.522 10.108 -8.674 1.00 0.00 O ATOM 1393 CB ASP A 87 2.502 8.634 -8.137 1.00 0.00 C ATOM 1394 CG ASP A 87 3.488 7.640 -8.719 1.00 0.00 C ATOM 1395 OD1 ASP A 87 4.541 8.078 -9.228 1.00 0.00 O ATOM 1396 OD2 ASP A 87 3.206 6.425 -8.667 1.00 0.00 O ATOM 0 H ASP A 87 3.552 9.767 -10.092 1.00 0.00 H new ATOM 0 HA ASP A 87 1.143 8.615 -9.800 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.042 9.370 -7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.822 8.114 -7.463 1.00 0.00 H new ATOM 1401 N ARG A 88 1.200 11.329 -7.895 1.00 0.00 N ATOM 1402 CA ARG A 88 0.348 12.306 -7.228 1.00 0.00 C ATOM 1403 C ARG A 88 -0.829 12.696 -8.116 1.00 0.00 C ATOM 1404 O ARG A 88 -1.980 12.683 -7.679 1.00 0.00 O ATOM 1405 CB ARG A 88 1.157 13.551 -6.858 1.00 0.00 C ATOM 1406 CG ARG A 88 2.357 13.256 -5.973 1.00 0.00 C ATOM 1407 CD ARG A 88 3.254 14.475 -5.828 1.00 0.00 C ATOM 1408 NE ARG A 88 3.559 15.088 -7.118 1.00 0.00 N ATOM 1409 CZ ARG A 88 4.139 16.276 -7.250 1.00 0.00 C ATOM 1410 NH1 ARG A 88 4.476 16.975 -6.175 1.00 0.00 N ATOM 1411 NH2 ARG A 88 4.384 16.766 -8.458 1.00 0.00 N ATOM 0 H ARG A 88 2.200 11.505 -7.797 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.042 11.851 -6.318 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.500 14.036 -7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.505 14.259 -6.347 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.015 12.935 -4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.929 12.430 -6.396 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.768 15.208 -5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.182 14.185 -5.336 1.00 0.00 H new ATOM 0 HE ARG A 88 3.313 14.575 -7.965 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.290 16.601 -5.244 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.921 17.887 -6.279 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.127 16.231 -9.287 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.829 17.678 -8.558 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.533 13.044 -9.364 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.567 13.440 -10.313 1.00 0.00 C ATOM 1427 C ARG A 89 -2.323 12.222 -10.834 1.00 0.00 C ATOM 1428 O ARG A 89 -3.414 12.346 -11.389 1.00 0.00 O ATOM 1429 CB ARG A 89 -0.949 14.209 -11.482 1.00 0.00 C ATOM 1430 CG ARG A 89 -0.189 13.325 -12.458 1.00 0.00 C ATOM 1431 CD ARG A 89 -0.225 13.893 -13.868 1.00 0.00 C ATOM 1432 NE ARG A 89 -1.510 13.659 -14.520 1.00 0.00 N ATOM 1433 CZ ARG A 89 -1.916 12.465 -14.938 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -1.141 11.403 -14.772 1.00 0.00 N ATOM 1435 NH2 ARG A 89 -3.100 12.333 -15.523 1.00 0.00 N ATOM 0 H ARG A 89 0.414 13.060 -9.742 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.272 14.088 -9.793 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.739 14.733 -12.019 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.272 14.968 -11.090 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.846 13.226 -12.131 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.621 12.324 -12.457 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.026 14.964 -13.832 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.570 13.441 -14.461 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.130 14.456 -14.663 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.231 11.501 -14.322 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.455 10.487 -15.094 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.699 13.149 -15.652 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.411 11.416 -15.844 1.00 0.00 H new ATOM 1449 N SER A 90 -1.734 11.044 -10.651 1.00 0.00 N ATOM 1450 CA SER A 90 -2.349 9.803 -11.106 1.00 0.00 C ATOM 1451 C SER A 90 -3.276 9.232 -10.037 1.00 0.00 C ATOM 1452 O SER A 90 -4.141 8.404 -10.326 1.00 0.00 O ATOM 1453 CB SER A 90 -1.273 8.777 -11.465 1.00 0.00 C ATOM 1454 OG SER A 90 -1.750 7.853 -12.428 1.00 0.00 O ATOM 0 H SER A 90 -0.832 10.923 -10.191 1.00 0.00 H new ATOM 0 HA SER A 90 -2.940 10.024 -11.994 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.393 9.289 -11.853 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.961 8.243 -10.567 1.00 0.00 H new ATOM 0 HG SER A 90 -1.043 7.209 -12.642 1.00 0.00 H new ATOM 1460 N LEU A 91 -3.088 9.679 -8.800 1.00 0.00 N ATOM 1461 CA LEU A 91 -3.907 9.213 -7.686 1.00 0.00 C ATOM 1462 C LEU A 91 -5.114 10.123 -7.479 1.00 0.00 C ATOM 1463 O LEU A 91 -6.183 9.668 -7.076 1.00 0.00 O ATOM 1464 CB LEU A 91 -3.073 9.155 -6.405 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.831 9.394 -5.099 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.177 8.635 -3.955 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.898 10.881 -4.785 1.00 0.00 C ATOM 0 H LEU A 91 -2.376 10.363 -8.543 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.267 8.212 -7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.595 8.177 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.276 9.895 -6.480 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.849 9.022 -5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.730 8.817 -3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.183 7.568 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.149 8.975 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.441 11.032 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.888 11.278 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.413 11.401 -5.593 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.934 11.409 -7.761 1.00 0.00 N ATOM 1480 CA GLU A 92 -6.009 12.382 -7.607 1.00 0.00 C ATOM 1481 C GLU A 92 -7.218 11.995 -8.454 1.00 0.00 C ATOM 1482 O GLU A 92 -8.308 12.541 -8.286 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.524 13.779 -8.000 1.00 0.00 C ATOM 1484 CG GLU A 92 -5.065 13.880 -9.445 1.00 0.00 C ATOM 1485 CD GLU A 92 -4.811 15.311 -9.878 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -4.265 16.087 -9.066 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -5.158 15.654 -11.027 1.00 0.00 O ATOM 0 H GLU A 92 -4.055 11.801 -8.097 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.308 12.391 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.329 14.494 -7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.701 14.066 -7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.152 13.298 -9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.820 13.437 -10.094 1.00 0.00 H new ATOM 1494 N SER A 93 -7.016 11.049 -9.366 1.00 0.00 N ATOM 1495 CA SER A 93 -8.087 10.591 -10.243 1.00 0.00 C ATOM 1496 C SER A 93 -8.955 9.549 -9.543 1.00 0.00 C ATOM 1497 O SER A 93 -10.151 9.756 -9.340 1.00 0.00 O ATOM 1498 CB SER A 93 -7.505 10.004 -11.530 1.00 0.00 C ATOM 1499 OG SER A 93 -8.524 9.757 -12.484 1.00 0.00 O ATOM 0 H SER A 93 -6.120 10.585 -9.517 1.00 0.00 H new ATOM 0 HA SER A 93 -8.710 11.450 -10.493 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.770 10.692 -11.948 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.980 9.076 -11.305 1.00 0.00 H new ATOM 0 HG SER A 93 -8.126 9.384 -13.298 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.342 8.428 -9.175 1.00 0.00 N ATOM 1506 CA VAL A 94 -9.057 7.354 -8.497 1.00 0.00 C ATOM 1507 C VAL A 94 -9.983 7.905 -7.418 1.00 0.00 C ATOM 1508 O VAL A 94 -11.201 7.735 -7.485 1.00 0.00 O ATOM 1509 CB VAL A 94 -8.082 6.349 -7.856 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -8.839 5.326 -7.022 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -7.245 5.662 -8.925 1.00 0.00 C ATOM 0 H VAL A 94 -7.352 8.241 -9.335 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.651 6.842 -9.254 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.409 6.895 -7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.133 4.625 -6.577 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.390 5.836 -6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.538 4.783 -7.658 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.562 4.955 -8.454 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.901 5.129 -9.614 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.672 6.409 -9.475 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.398 8.566 -6.426 1.00 0.00 N ATOM 1522 CA LEU A 95 -10.171 9.144 -5.332 1.00 0.00 C ATOM 1523 C LEU A 95 -11.429 9.829 -5.856 1.00 0.00 C ATOM 1524 O LEU A 95 -12.514 9.669 -5.296 1.00 0.00 O ATOM 1525 CB LEU A 95 -9.318 10.146 -4.552 1.00 0.00 C ATOM 1526 CG LEU A 95 -8.016 9.604 -3.962 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -7.115 10.745 -3.518 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -8.307 8.667 -2.799 1.00 0.00 C ATOM 0 H LEU A 95 -8.391 8.715 -6.356 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.471 8.335 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.075 10.978 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.921 10.551 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.496 9.039 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.193 10.340 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.879 11.376 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.626 11.338 -2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.369 8.291 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.849 9.208 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.912 7.830 -3.148 1.00 0.00 H new ATOM 1540 N SER A 96 -11.276 10.590 -6.934 1.00 0.00 N ATOM 1541 CA SER A 96 -12.400 11.301 -7.534 1.00 0.00 C ATOM 1542 C SER A 96 -13.421 10.321 -8.104 1.00 0.00 C ATOM 1543 O SER A 96 -14.623 10.583 -8.092 1.00 0.00 O ATOM 1544 CB SER A 96 -11.907 12.240 -8.636 1.00 0.00 C ATOM 1545 OG SER A 96 -12.964 13.043 -9.132 1.00 0.00 O ATOM 0 H SER A 96 -10.385 10.731 -7.410 1.00 0.00 H new ATOM 0 HA SER A 96 -12.883 11.890 -6.754 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.113 12.878 -8.247 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.477 11.656 -9.450 1.00 0.00 H new ATOM 0 HG SER A 96 -12.623 13.636 -9.834 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.931 9.190 -8.602 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.800 8.170 -9.178 1.00 0.00 C ATOM 1553 C ARG A 97 -14.578 7.440 -8.088 1.00 0.00 C ATOM 1554 O ARG A 97 -15.745 7.092 -8.270 1.00 0.00 O ATOM 1555 CB ARG A 97 -12.977 7.169 -9.991 1.00 0.00 C ATOM 1556 CG ARG A 97 -12.035 7.822 -10.989 1.00 0.00 C ATOM 1557 CD ARG A 97 -12.723 8.078 -12.320 1.00 0.00 C ATOM 1558 NE ARG A 97 -13.098 6.835 -12.990 1.00 0.00 N ATOM 1559 CZ ARG A 97 -13.469 6.770 -14.264 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -13.515 7.871 -15.001 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -13.796 5.602 -14.802 1.00 0.00 N ATOM 0 H ARG A 97 -11.938 8.957 -8.618 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.512 8.665 -9.838 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.396 6.550 -9.308 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.655 6.504 -10.526 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -11.667 8.764 -10.581 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.167 7.181 -11.144 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -13.614 8.685 -12.157 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -12.060 8.653 -12.966 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.074 5.970 -12.450 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -13.265 8.771 -14.590 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -13.800 7.819 -15.979 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -13.763 4.753 -14.237 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -14.081 5.553 -15.780 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.924 7.210 -6.955 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.553 6.521 -5.834 1.00 0.00 C ATOM 1577 C LYS A 98 -15.305 7.505 -4.943 1.00 0.00 C ATOM 1578 O LYS A 98 -16.534 7.475 -4.867 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.500 5.775 -5.011 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.751 4.715 -5.801 1.00 0.00 C ATOM 1581 CD LYS A 98 -13.525 3.409 -5.856 1.00 0.00 C ATOM 1582 CE LYS A 98 -12.915 2.441 -6.858 1.00 0.00 C ATOM 1583 NZ LYS A 98 -13.454 1.063 -6.697 1.00 0.00 N ATOM 0 H LYS A 98 -12.958 7.491 -6.788 1.00 0.00 H new ATOM 0 HA LYS A 98 -15.267 5.803 -6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.784 6.495 -4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.985 5.304 -4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.571 5.075 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.776 4.542 -5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.538 2.951 -4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.561 3.610 -6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.114 2.793 -7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.832 2.424 -6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.013 0.434 -7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.242 0.717 -5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.484 1.074 -6.841 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.560 8.377 -4.273 1.00 0.00 N ATOM 1598 CA LEU A 99 -15.157 9.372 -3.389 1.00 0.00 C ATOM 1599 C LEU A 99 -16.078 10.308 -4.165 1.00 0.00 C ATOM 1600 O LEU A 99 -15.628 11.294 -4.749 1.00 0.00 O ATOM 1601 CB LEU A 99 -14.064 10.180 -2.687 1.00 0.00 C ATOM 1602 CG LEU A 99 -13.070 9.377 -1.847 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -11.845 10.217 -1.521 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.731 8.877 -0.571 1.00 0.00 C ATOM 0 H LEU A 99 -13.542 8.415 -4.325 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.750 8.847 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.507 10.733 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.543 10.917 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.748 8.513 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.149 9.629 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.358 10.525 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.149 11.101 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.009 8.308 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.082 9.727 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.576 8.238 -0.826 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.369 9.994 -4.165 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.354 10.808 -4.868 1.00 0.00 C ATOM 1618 C ASN A 100 -18.718 12.046 -4.054 1.00 0.00 C ATOM 1619 O ASN A 100 -18.390 13.169 -4.435 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.612 9.986 -5.158 1.00 0.00 C ATOM 1621 CG ASN A 100 -20.479 9.803 -3.927 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -20.108 9.090 -2.995 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -21.640 10.447 -3.920 1.00 0.00 N ATOM 0 H ASN A 100 -17.758 9.182 -3.686 1.00 0.00 H new ATOM 0 HA ASN A 100 -17.914 11.132 -5.811 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -20.193 10.478 -5.938 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -19.323 9.009 -5.544 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -22.266 10.361 -3.119 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -21.906 11.027 -4.715 1.00 0.00 H new TER 1630 ASN A 100