USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1003 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 75 THR OG1 : rot -83:sc= 0.0822 USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= 0.0199 USER MOD Set 2.1: A 32 GLN : amide:sc=-0.00555 X(o=-0.0055,f=0) USER MOD Set 2.2: A 35 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.279 K(o=-0.28,f=-2.2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.778 K(o=-0.78,f=-1.7!) USER MOD Single : A 16 ASN : amide:sc=-0.000428 X(o=-0.00043,f=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.58 K(o=-1.6,f=-11!) USER MOD Single : A 46 ASN : amide:sc=-0.00187 X(o=-0.0019,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -3.93! X(o=-3.9!,f=-3.7) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0661 USER MOD Single : A 55 THR OG1 : rot 162:sc= 0.138 USER MOD Single : A 58 SER OG : rot 180:sc= 0.236 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 63 ASN : amide:sc= -2 K(o=-2,f=-2.7!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= -0.146 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -179:sc= 0.221 (180deg=0.173) USER MOD Single : A 83 THR OG1 : rot -126:sc= 0.965 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= -3.19! C(o=-3.2!,f=-11!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.169 K(o=-0.17,f=-0.95) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -31:sc= 1.09 USER MOD Single : A 104 THR OG1 : rot 90:sc= 0.0811 USER MOD Single : A 107 ASN : amide:sc= -0.244 K(o=-0.24,f=-2.4!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.245 K(o=-0.24,f=-2!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N SER A 6 -13.361 -6.882 -6.052 1.00 0.00 N ATOM 68 CA SER A 6 -14.397 -5.886 -5.840 1.00 0.00 C ATOM 69 C SER A 6 -14.629 -5.682 -4.342 1.00 0.00 C ATOM 70 O SER A 6 -15.700 -5.998 -3.827 1.00 0.00 O ATOM 71 CB SER A 6 -15.701 -6.294 -6.528 1.00 0.00 C ATOM 72 OG SER A 6 -15.905 -5.587 -7.749 1.00 0.00 O ATOM 0 HA SER A 6 -14.063 -4.946 -6.280 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.686 -7.365 -6.728 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.539 -6.107 -5.857 1.00 0.00 H new ATOM 0 HG SER A 6 -16.747 -5.877 -8.158 1.00 0.00 H new ATOM 78 N GLY A 7 -13.606 -5.157 -3.683 1.00 0.00 N ATOM 79 CA GLY A 7 -13.685 -4.907 -2.254 1.00 0.00 C ATOM 80 C GLY A 7 -13.086 -3.544 -1.902 1.00 0.00 C ATOM 81 O GLY A 7 -12.056 -3.154 -2.450 1.00 0.00 O ATOM 0 H GLY A 7 -12.718 -4.898 -4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.725 -4.945 -1.931 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.155 -5.692 -1.714 1.00 0.00 H new ATOM 85 N LYS A 8 -13.756 -2.857 -0.989 1.00 0.00 N ATOM 86 CA LYS A 8 -13.303 -1.545 -0.557 1.00 0.00 C ATOM 87 C LYS A 8 -12.987 -1.588 0.940 1.00 0.00 C ATOM 88 O LYS A 8 -13.793 -2.067 1.735 1.00 0.00 O ATOM 89 CB LYS A 8 -14.324 -0.472 -0.940 1.00 0.00 C ATOM 90 CG LYS A 8 -14.440 -0.344 -2.459 1.00 0.00 C ATOM 91 CD LYS A 8 -14.975 1.035 -2.853 1.00 0.00 C ATOM 92 CE LYS A 8 -15.695 0.979 -4.202 1.00 0.00 C ATOM 93 NZ LYS A 8 -16.991 1.689 -4.129 1.00 0.00 N ATOM 0 H LYS A 8 -14.609 -3.184 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.381 -1.271 -1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.297 -0.723 -0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.028 0.486 -0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.464 -0.504 -2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.103 -1.119 -2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.660 1.396 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.151 1.747 -2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.070 1.429 -4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.858 -0.059 -4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.466 1.641 -5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.592 1.242 -3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.828 2.684 -3.875 1.00 0.00 H new ATOM 106 N TYR A 9 -11.810 -1.079 1.278 1.00 0.00 N ATOM 107 CA TYR A 9 -11.378 -1.052 2.665 1.00 0.00 C ATOM 108 C TYR A 9 -11.382 0.376 3.213 1.00 0.00 C ATOM 109 O TYR A 9 -10.971 1.310 2.525 1.00 0.00 O ATOM 110 CB TYR A 9 -9.943 -1.584 2.669 1.00 0.00 C ATOM 111 CG TYR A 9 -9.843 -3.106 2.550 1.00 0.00 C ATOM 112 CD1 TYR A 9 -10.118 -3.902 3.644 1.00 0.00 C ATOM 113 CD2 TYR A 9 -9.477 -3.682 1.352 1.00 0.00 C ATOM 114 CE1 TYR A 9 -10.023 -5.335 3.534 1.00 0.00 C ATOM 115 CE2 TYR A 9 -9.383 -5.115 1.241 1.00 0.00 C ATOM 116 CZ TYR A 9 -9.661 -5.871 2.338 1.00 0.00 C ATOM 117 OH TYR A 9 -9.572 -7.224 2.233 1.00 0.00 O ATOM 0 H TYR A 9 -11.143 -0.683 0.615 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.047 -1.647 3.287 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.395 -1.129 1.844 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.452 -1.269 3.590 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -10.404 -3.450 4.582 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.261 -3.059 0.497 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.234 -5.969 4.382 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -9.098 -5.579 0.308 1.00 0.00 H new ATOM 0 HH TYR A 9 -9.305 -7.464 1.321 1.00 0.00 H new ATOM 127 N GLN A 10 -11.850 0.501 4.446 1.00 0.00 N ATOM 128 CA GLN A 10 -11.912 1.800 5.094 1.00 0.00 C ATOM 129 C GLN A 10 -10.837 1.905 6.178 1.00 0.00 C ATOM 130 O GLN A 10 -10.702 1.010 7.012 1.00 0.00 O ATOM 131 CB GLN A 10 -13.304 2.056 5.676 1.00 0.00 C ATOM 132 CG GLN A 10 -13.282 3.233 6.654 1.00 0.00 C ATOM 133 CD GLN A 10 -14.695 3.583 7.122 1.00 0.00 C ATOM 134 OE1 GLN A 10 -15.354 2.824 7.812 1.00 0.00 O ATOM 135 NE2 GLN A 10 -15.123 4.773 6.709 1.00 0.00 N ATOM 0 H GLN A 10 -12.190 -0.276 5.013 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.720 2.568 4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.007 2.262 4.869 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.659 1.161 6.187 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.661 2.984 7.515 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.829 4.100 6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.520 5.360 6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -16.054 5.098 6.969 1.00 0.00 H new ATOM 144 N LEU A 11 -10.099 3.005 6.130 1.00 0.00 N ATOM 145 CA LEU A 11 -9.040 3.237 7.098 1.00 0.00 C ATOM 146 C LEU A 11 -9.539 2.860 8.494 1.00 0.00 C ATOM 147 O LEU A 11 -10.272 3.623 9.122 1.00 0.00 O ATOM 148 CB LEU A 11 -8.527 4.675 6.994 1.00 0.00 C ATOM 149 CG LEU A 11 -7.417 4.920 5.971 1.00 0.00 C ATOM 150 CD1 LEU A 11 -6.052 4.523 6.538 1.00 0.00 C ATOM 151 CD2 LEU A 11 -7.718 4.204 4.653 1.00 0.00 C ATOM 0 H LEU A 11 -10.213 3.744 5.437 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.181 2.600 6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.369 5.323 6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.164 4.982 7.975 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.380 5.988 5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.280 4.707 5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.842 5.114 7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.060 3.465 6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.913 4.395 3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.798 3.132 4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.658 4.575 4.244 1.00 0.00 H new ATOM 163 N GLN A 12 -9.122 1.685 8.940 1.00 0.00 N ATOM 164 CA GLN A 12 -9.517 1.198 10.250 1.00 0.00 C ATOM 165 C GLN A 12 -8.835 2.016 11.349 1.00 0.00 C ATOM 166 O GLN A 12 -9.481 2.817 12.023 1.00 0.00 O ATOM 167 CB GLN A 12 -9.201 -0.292 10.400 1.00 0.00 C ATOM 168 CG GLN A 12 -10.190 -0.969 11.351 1.00 0.00 C ATOM 169 CD GLN A 12 -9.558 -1.200 12.725 1.00 0.00 C ATOM 170 OE1 GLN A 12 -8.354 -1.329 12.870 1.00 0.00 O ATOM 171 NE2 GLN A 12 -10.437 -1.245 13.724 1.00 0.00 N ATOM 0 H GLN A 12 -8.514 1.055 8.417 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.596 1.319 10.350 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.240 -0.776 9.424 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.186 -0.416 10.777 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.081 -0.350 11.456 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.511 -1.922 10.930 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.432 -1.129 13.533 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.115 -1.395 14.680 1.00 0.00 H new ATOM 180 N SER A 13 -7.538 1.787 11.494 1.00 0.00 N ATOM 181 CA SER A 13 -6.761 2.492 12.499 1.00 0.00 C ATOM 182 C SER A 13 -5.361 2.795 11.962 1.00 0.00 C ATOM 183 O SER A 13 -4.960 2.259 10.929 1.00 0.00 O ATOM 184 CB SER A 13 -6.670 1.682 13.793 1.00 0.00 C ATOM 185 OG SER A 13 -7.041 2.453 14.934 1.00 0.00 O ATOM 0 H SER A 13 -7.006 1.123 10.932 1.00 0.00 H new ATOM 0 HA SER A 13 -7.267 3.431 12.725 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.318 0.808 13.720 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.652 1.314 13.920 1.00 0.00 H new ATOM 0 HG SER A 13 -6.971 1.899 15.740 1.00 0.00 H new ATOM 191 N GLN A 14 -4.657 3.653 12.685 1.00 0.00 N ATOM 192 CA GLN A 14 -3.310 4.033 12.293 1.00 0.00 C ATOM 193 C GLN A 14 -2.434 4.233 13.531 1.00 0.00 C ATOM 194 O GLN A 14 -2.939 4.546 14.609 1.00 0.00 O ATOM 195 CB GLN A 14 -3.327 5.292 11.424 1.00 0.00 C ATOM 196 CG GLN A 14 -3.821 6.501 12.219 1.00 0.00 C ATOM 197 CD GLN A 14 -3.166 7.791 11.721 1.00 0.00 C ATOM 198 OE1 GLN A 14 -2.149 8.236 12.228 1.00 0.00 O ATOM 199 NE2 GLN A 14 -3.802 8.363 10.702 1.00 0.00 N ATOM 0 H GLN A 14 -4.994 4.096 13.540 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.884 3.226 11.697 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.325 5.488 11.042 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.972 5.133 10.560 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.904 6.581 12.130 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.598 6.361 13.277 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.649 7.937 10.326 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.443 9.228 10.297 1.00 0.00 H new ATOM 208 N GLU A 15 -1.137 4.046 13.336 1.00 0.00 N ATOM 209 CA GLU A 15 -0.186 4.202 14.423 1.00 0.00 C ATOM 210 C GLU A 15 1.059 4.947 13.937 1.00 0.00 C ATOM 211 O GLU A 15 1.778 4.458 13.065 1.00 0.00 O ATOM 212 CB GLU A 15 0.186 2.846 15.025 1.00 0.00 C ATOM 213 CG GLU A 15 -0.112 2.811 16.525 1.00 0.00 C ATOM 214 CD GLU A 15 0.075 1.401 17.089 1.00 0.00 C ATOM 215 OE1 GLU A 15 -0.916 0.703 17.354 1.00 0.00 O ATOM 216 OE2 GLU A 15 1.301 1.035 17.248 1.00 0.00 O ATOM 0 H GLU A 15 -0.722 3.788 12.441 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.656 4.794 15.208 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.371 2.056 14.522 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.244 2.647 14.856 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.547 3.505 17.046 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.134 3.146 16.704 1.00 0.00 H new ATOM 224 N ASN A 16 1.275 6.116 14.520 1.00 0.00 N ATOM 225 CA ASN A 16 2.421 6.933 14.156 1.00 0.00 C ATOM 226 C ASN A 16 2.603 6.902 12.638 1.00 0.00 C ATOM 227 O ASN A 16 3.561 6.317 12.136 1.00 0.00 O ATOM 228 CB ASN A 16 3.704 6.398 14.798 1.00 0.00 C ATOM 229 CG ASN A 16 3.552 6.283 16.316 1.00 0.00 C ATOM 230 OD1 ASN A 16 3.155 7.213 16.998 1.00 0.00 O ATOM 231 ND2 ASN A 16 3.889 5.093 16.804 1.00 0.00 N ATOM 0 H ASN A 16 0.677 6.518 15.242 1.00 0.00 H new ATOM 0 HA ASN A 16 2.237 7.948 14.508 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.945 5.421 14.378 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.537 7.061 14.562 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.823 4.915 17.806 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.214 4.358 16.176 1.00 0.00 H new ATOM 238 N PHE A 17 1.668 7.539 11.949 1.00 0.00 N ATOM 239 CA PHE A 17 1.713 7.592 10.498 1.00 0.00 C ATOM 240 C PHE A 17 2.830 8.522 10.017 1.00 0.00 C ATOM 241 O PHE A 17 3.555 8.194 9.080 1.00 0.00 O ATOM 242 CB PHE A 17 0.366 8.147 10.028 1.00 0.00 C ATOM 243 CG PHE A 17 -0.214 7.424 8.811 1.00 0.00 C ATOM 244 CD1 PHE A 17 -0.642 6.138 8.924 1.00 0.00 C ATOM 245 CD2 PHE A 17 -0.302 8.069 7.616 1.00 0.00 C ATOM 246 CE1 PHE A 17 -1.181 5.468 7.795 1.00 0.00 C ATOM 247 CE2 PHE A 17 -0.841 7.397 6.487 1.00 0.00 C ATOM 248 CZ PHE A 17 -1.269 6.112 6.600 1.00 0.00 C ATOM 0 H PHE A 17 0.874 8.023 12.369 1.00 0.00 H new ATOM 0 HA PHE A 17 1.906 6.598 10.096 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.348 8.084 10.849 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.484 9.204 9.788 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.572 5.627 9.873 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.038 9.090 7.526 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.521 4.447 7.885 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.911 7.907 5.538 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.679 5.602 5.741 1.00 0.00 H new ATOM 258 N GLU A 18 2.932 9.664 10.682 1.00 0.00 N ATOM 259 CA GLU A 18 3.947 10.643 10.334 1.00 0.00 C ATOM 260 C GLU A 18 5.340 10.011 10.405 1.00 0.00 C ATOM 261 O GLU A 18 6.278 10.498 9.775 1.00 0.00 O ATOM 262 CB GLU A 18 3.856 11.873 11.239 1.00 0.00 C ATOM 263 CG GLU A 18 4.471 11.590 12.613 1.00 0.00 C ATOM 264 CD GLU A 18 3.843 12.479 13.688 1.00 0.00 C ATOM 265 OE1 GLU A 18 4.512 13.379 14.216 1.00 0.00 O ATOM 266 OE2 GLU A 18 2.612 12.209 13.969 1.00 0.00 O ATOM 0 H GLU A 18 2.329 9.933 11.459 1.00 0.00 H new ATOM 0 HA GLU A 18 3.770 10.973 9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.372 12.712 10.772 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.813 12.166 11.357 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.325 10.541 12.872 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.547 11.762 12.576 1.00 0.00 H new ATOM 274 N ALA A 19 5.430 8.939 11.177 1.00 0.00 N ATOM 275 CA ALA A 19 6.691 8.237 11.339 1.00 0.00 C ATOM 276 C ALA A 19 7.342 8.046 9.967 1.00 0.00 C ATOM 277 O ALA A 19 8.539 8.282 9.806 1.00 0.00 O ATOM 278 CB ALA A 19 6.448 6.909 12.058 1.00 0.00 C ATOM 0 H ALA A 19 4.649 8.539 11.698 1.00 0.00 H new ATOM 0 HA ALA A 19 7.378 8.819 11.953 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.395 6.382 12.179 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.011 7.100 13.038 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.765 6.296 11.470 1.00 0.00 H new ATOM 284 N PHE A 20 6.526 7.621 9.014 1.00 0.00 N ATOM 285 CA PHE A 20 7.008 7.395 7.661 1.00 0.00 C ATOM 286 C PHE A 20 7.477 8.704 7.022 1.00 0.00 C ATOM 287 O PHE A 20 8.392 8.704 6.200 1.00 0.00 O ATOM 288 CB PHE A 20 5.833 6.839 6.855 1.00 0.00 C ATOM 289 CG PHE A 20 6.251 6.016 5.634 1.00 0.00 C ATOM 290 CD1 PHE A 20 6.874 4.820 5.802 1.00 0.00 C ATOM 291 CD2 PHE A 20 5.998 6.482 4.382 1.00 0.00 C ATOM 292 CE1 PHE A 20 7.262 4.056 4.670 1.00 0.00 C ATOM 293 CE2 PHE A 20 6.385 5.719 3.249 1.00 0.00 C ATOM 294 CZ PHE A 20 7.009 4.522 3.417 1.00 0.00 C ATOM 0 H PHE A 20 5.534 7.427 9.151 1.00 0.00 H new ATOM 0 HA PHE A 20 7.852 6.706 7.676 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.220 6.217 7.507 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.207 7.668 6.525 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.074 4.451 6.797 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.503 7.433 4.249 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.758 3.106 4.803 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.184 6.089 2.254 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.304 3.941 2.555 1.00 0.00 H new ATOM 304 N MET A 21 6.828 9.788 7.423 1.00 0.00 N ATOM 305 CA MET A 21 7.167 11.099 6.898 1.00 0.00 C ATOM 306 C MET A 21 8.463 11.621 7.523 1.00 0.00 C ATOM 307 O MET A 21 9.326 12.145 6.821 1.00 0.00 O ATOM 308 CB MET A 21 6.028 12.077 7.194 1.00 0.00 C ATOM 309 CG MET A 21 4.942 11.995 6.119 1.00 0.00 C ATOM 310 SD MET A 21 3.328 12.102 6.873 1.00 0.00 S ATOM 311 CE MET A 21 2.343 11.316 5.608 1.00 0.00 C ATOM 0 H MET A 21 6.070 9.784 8.105 1.00 0.00 H new ATOM 0 HA MET A 21 7.313 11.012 5.821 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.597 11.854 8.170 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.420 13.093 7.244 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.070 12.803 5.398 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.034 11.059 5.568 1.00 0.00 H new ATOM 0 HE1 MET A 21 1.298 11.298 5.919 1.00 0.00 H new ATOM 0 HE2 MET A 21 2.435 11.874 4.676 1.00 0.00 H new ATOM 0 HE3 MET A 21 2.694 10.295 5.455 1.00 0.00 H new ATOM 321 N LYS A 22 8.557 11.459 8.834 1.00 0.00 N ATOM 322 CA LYS A 22 9.734 11.907 9.561 1.00 0.00 C ATOM 323 C LYS A 22 10.951 11.107 9.095 1.00 0.00 C ATOM 324 O LYS A 22 12.084 11.573 9.205 1.00 0.00 O ATOM 325 CB LYS A 22 9.490 11.836 11.069 1.00 0.00 C ATOM 326 CG LYS A 22 8.424 12.845 11.501 1.00 0.00 C ATOM 327 CD LYS A 22 9.064 14.089 12.118 1.00 0.00 C ATOM 328 CE LYS A 22 8.025 15.194 12.326 1.00 0.00 C ATOM 329 NZ LYS A 22 8.473 16.135 13.378 1.00 0.00 N ATOM 0 H LYS A 22 7.838 11.024 9.412 1.00 0.00 H new ATOM 0 HA LYS A 22 9.941 12.955 9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.175 10.829 11.343 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.420 12.034 11.601 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.820 13.132 10.640 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.751 12.382 12.223 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.522 13.831 13.073 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.861 14.452 11.469 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.866 15.732 11.392 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.068 14.754 12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.757 16.878 13.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.602 15.620 14.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.375 16.568 13.095 1.00 0.00 H new ATOM 342 N ALA A 23 10.676 9.914 8.587 1.00 0.00 N ATOM 343 CA ALA A 23 11.735 9.043 8.105 1.00 0.00 C ATOM 344 C ALA A 23 12.450 9.718 6.933 1.00 0.00 C ATOM 345 O ALA A 23 13.672 9.856 6.943 1.00 0.00 O ATOM 346 CB ALA A 23 11.144 7.685 7.723 1.00 0.00 C ATOM 0 H ALA A 23 9.735 9.530 8.499 1.00 0.00 H new ATOM 0 HA ALA A 23 12.475 8.869 8.886 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.938 7.031 7.361 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.673 7.235 8.597 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.400 7.820 6.938 1.00 0.00 H new ATOM 352 N ILE A 24 11.658 10.121 5.950 1.00 0.00 N ATOM 353 CA ILE A 24 12.199 10.778 4.772 1.00 0.00 C ATOM 354 C ILE A 24 12.448 12.255 5.087 1.00 0.00 C ATOM 355 O ILE A 24 13.280 12.898 4.449 1.00 0.00 O ATOM 356 CB ILE A 24 11.288 10.551 3.565 1.00 0.00 C ATOM 357 CG1 ILE A 24 9.950 11.272 3.745 1.00 0.00 C ATOM 358 CG2 ILE A 24 11.102 9.058 3.292 1.00 0.00 C ATOM 359 CD1 ILE A 24 8.913 10.759 2.744 1.00 0.00 C ATOM 0 H ILE A 24 10.645 10.005 5.945 1.00 0.00 H new ATOM 0 HA ILE A 24 13.161 10.343 4.501 1.00 0.00 H new ATOM 0 HB ILE A 24 11.770 10.981 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.585 11.122 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.090 12.345 3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.450 8.924 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 24 12.071 8.602 3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.652 8.582 4.163 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.971 11.287 2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.270 10.933 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.758 9.691 2.896 1.00 0.00 H new ATOM 371 N GLY A 25 11.710 12.749 6.071 1.00 0.00 N ATOM 372 CA GLY A 25 11.840 14.138 6.476 1.00 0.00 C ATOM 373 C GLY A 25 10.863 15.029 5.706 1.00 0.00 C ATOM 374 O GLY A 25 11.278 15.961 5.018 1.00 0.00 O ATOM 0 H GLY A 25 11.021 12.213 6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.653 14.227 7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.861 14.477 6.302 1.00 0.00 H new ATOM 378 N LEU A 26 9.585 14.711 5.846 1.00 0.00 N ATOM 379 CA LEU A 26 8.546 15.470 5.170 1.00 0.00 C ATOM 380 C LEU A 26 8.172 16.684 6.024 1.00 0.00 C ATOM 381 O LEU A 26 8.370 16.678 7.238 1.00 0.00 O ATOM 382 CB LEU A 26 7.358 14.568 4.829 1.00 0.00 C ATOM 383 CG LEU A 26 7.386 13.919 3.444 1.00 0.00 C ATOM 384 CD1 LEU A 26 6.316 12.832 3.328 1.00 0.00 C ATOM 385 CD2 LEU A 26 7.254 14.973 2.342 1.00 0.00 C ATOM 0 H LEU A 26 9.245 13.938 6.418 1.00 0.00 H new ATOM 0 HA LEU A 26 8.911 15.850 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.300 13.778 5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.444 15.156 4.915 1.00 0.00 H new ATOM 0 HG LEU A 26 8.354 13.435 3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.357 12.386 2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.496 12.062 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.332 13.272 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.277 14.485 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.310 15.506 2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.081 15.680 2.413 1.00 0.00 H new ATOM 397 N PRO A 27 7.623 17.721 5.338 1.00 0.00 N ATOM 398 CA PRO A 27 7.218 18.939 6.020 1.00 0.00 C ATOM 399 C PRO A 27 5.921 18.725 6.802 1.00 0.00 C ATOM 400 O PRO A 27 5.253 17.705 6.637 1.00 0.00 O ATOM 401 CB PRO A 27 7.083 19.979 4.920 1.00 0.00 C ATOM 402 CG PRO A 27 6.963 19.200 3.620 1.00 0.00 C ATOM 403 CD PRO A 27 7.372 17.763 3.900 1.00 0.00 C ATOM 0 HA PRO A 27 7.941 19.262 6.769 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.206 20.606 5.081 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.949 20.641 4.900 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.941 19.240 3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.602 19.637 2.853 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.585 17.065 3.615 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.262 17.488 3.335 1.00 0.00 H new ATOM 411 N GLU A 28 5.603 19.703 7.637 1.00 0.00 N ATOM 412 CA GLU A 28 4.398 19.633 8.446 1.00 0.00 C ATOM 413 C GLU A 28 3.156 19.777 7.563 1.00 0.00 C ATOM 414 O GLU A 28 2.110 19.202 7.857 1.00 0.00 O ATOM 415 CB GLU A 28 4.413 20.696 9.546 1.00 0.00 C ATOM 416 CG GLU A 28 4.316 22.102 8.951 1.00 0.00 C ATOM 417 CD GLU A 28 4.473 23.169 10.038 1.00 0.00 C ATOM 418 OE1 GLU A 28 4.110 22.929 11.199 1.00 0.00 O ATOM 419 OE2 GLU A 28 4.994 24.281 9.639 1.00 0.00 O ATOM 0 H GLU A 28 6.159 20.548 7.771 1.00 0.00 H new ATOM 0 HA GLU A 28 4.366 18.657 8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.581 20.528 10.230 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.329 20.607 10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.088 22.234 8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.355 22.224 8.452 1.00 0.00 H new ATOM 427 N GLU A 29 3.315 20.549 6.497 1.00 0.00 N ATOM 428 CA GLU A 29 2.221 20.776 5.569 1.00 0.00 C ATOM 429 C GLU A 29 1.778 19.454 4.936 1.00 0.00 C ATOM 430 O GLU A 29 0.586 19.153 4.889 1.00 0.00 O ATOM 431 CB GLU A 29 2.614 21.792 4.495 1.00 0.00 C ATOM 432 CG GLU A 29 1.721 21.659 3.260 1.00 0.00 C ATOM 433 CD GLU A 29 1.389 23.032 2.673 1.00 0.00 C ATOM 434 OE1 GLU A 29 0.560 23.763 3.236 1.00 0.00 O ATOM 435 OE2 GLU A 29 2.026 23.333 1.593 1.00 0.00 O ATOM 0 H GLU A 29 4.185 21.025 6.256 1.00 0.00 H new ATOM 0 HA GLU A 29 1.380 21.191 6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.535 22.802 4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.656 21.643 4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.223 21.050 2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.800 21.141 3.527 1.00 0.00 H new ATOM 443 N LEU A 30 2.762 18.701 4.466 1.00 0.00 N ATOM 444 CA LEU A 30 2.488 17.420 3.839 1.00 0.00 C ATOM 445 C LEU A 30 2.064 16.413 4.910 1.00 0.00 C ATOM 446 O LEU A 30 1.202 15.570 4.667 1.00 0.00 O ATOM 447 CB LEU A 30 3.689 16.963 3.008 1.00 0.00 C ATOM 448 CG LEU A 30 3.902 17.693 1.680 1.00 0.00 C ATOM 449 CD1 LEU A 30 5.164 17.192 0.975 1.00 0.00 C ATOM 450 CD2 LEU A 30 2.664 17.581 0.787 1.00 0.00 C ATOM 0 H LEU A 30 3.749 18.954 4.507 1.00 0.00 H new ATOM 0 HA LEU A 30 1.658 17.509 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.589 17.079 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.579 15.898 2.801 1.00 0.00 H new ATOM 0 HG LEU A 30 4.051 18.752 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.292 17.727 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.031 17.367 1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.070 16.125 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.842 18.108 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.459 16.531 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.807 18.024 1.295 1.00 0.00 H new ATOM 462 N ILE A 31 2.689 16.533 6.072 1.00 0.00 N ATOM 463 CA ILE A 31 2.387 15.644 7.181 1.00 0.00 C ATOM 464 C ILE A 31 0.964 15.916 7.673 1.00 0.00 C ATOM 465 O ILE A 31 0.215 14.984 7.962 1.00 0.00 O ATOM 466 CB ILE A 31 3.450 15.771 8.273 1.00 0.00 C ATOM 467 CG1 ILE A 31 4.696 14.954 7.923 1.00 0.00 C ATOM 468 CG2 ILE A 31 2.880 15.387 9.640 1.00 0.00 C ATOM 469 CD1 ILE A 31 5.945 15.554 8.571 1.00 0.00 C ATOM 0 H ILE A 31 3.404 17.233 6.270 1.00 0.00 H new ATOM 0 HA ILE A 31 2.419 14.604 6.856 1.00 0.00 H new ATOM 0 HB ILE A 31 3.755 16.816 8.332 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.567 13.925 8.258 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.823 14.923 6.841 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.656 15.486 10.399 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.047 16.046 9.885 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.530 14.355 9.611 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.816 14.954 8.306 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.085 16.575 8.215 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.825 15.561 9.654 1.00 0.00 H new ATOM 481 N GLN A 32 0.634 17.197 7.752 1.00 0.00 N ATOM 482 CA GLN A 32 -0.686 17.603 8.205 1.00 0.00 C ATOM 483 C GLN A 32 -1.736 17.270 7.144 1.00 0.00 C ATOM 484 O GLN A 32 -2.904 17.059 7.465 1.00 0.00 O ATOM 485 CB GLN A 32 -0.712 19.092 8.554 1.00 0.00 C ATOM 486 CG GLN A 32 -0.104 19.342 9.936 1.00 0.00 C ATOM 487 CD GLN A 32 -1.196 19.585 10.979 1.00 0.00 C ATOM 488 OE1 GLN A 32 -1.799 20.643 11.050 1.00 0.00 O ATOM 489 NE2 GLN A 32 -1.417 18.548 11.783 1.00 0.00 N ATOM 0 H GLN A 32 1.258 17.967 7.510 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.925 17.047 9.112 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.159 19.655 7.802 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.739 19.456 8.533 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.502 18.485 10.231 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.562 20.204 9.894 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.876 17.690 11.670 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.127 18.611 12.513 1.00 0.00 H new ATOM 498 N LYS A 33 -1.283 17.234 5.899 1.00 0.00 N ATOM 499 CA LYS A 33 -2.169 16.931 4.788 1.00 0.00 C ATOM 500 C LYS A 33 -2.493 15.436 4.792 1.00 0.00 C ATOM 501 O LYS A 33 -3.660 15.049 4.817 1.00 0.00 O ATOM 502 CB LYS A 33 -1.567 17.427 3.471 1.00 0.00 C ATOM 503 CG LYS A 33 -2.379 18.590 2.900 1.00 0.00 C ATOM 504 CD LYS A 33 -1.608 19.303 1.787 1.00 0.00 C ATOM 505 CE LYS A 33 -2.374 19.244 0.465 1.00 0.00 C ATOM 506 NZ LYS A 33 -2.368 20.568 -0.197 1.00 0.00 N ATOM 0 H LYS A 33 -0.313 17.410 5.635 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.114 17.462 4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.537 17.744 3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.538 16.610 2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.327 18.219 2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.615 19.298 3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.437 20.343 2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.628 18.841 1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.922 18.501 -0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.401 18.926 0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.892 20.510 -1.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.820 21.269 0.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.387 20.856 -0.388 1.00 0.00 H new ATOM 519 N GLY A 34 -1.437 14.635 4.769 1.00 0.00 N ATOM 520 CA GLY A 34 -1.594 13.190 4.771 1.00 0.00 C ATOM 521 C GLY A 34 -2.547 12.743 5.881 1.00 0.00 C ATOM 522 O GLY A 34 -3.413 11.899 5.659 1.00 0.00 O ATOM 0 H GLY A 34 -0.470 14.959 4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.976 12.861 3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.622 12.715 4.908 1.00 0.00 H new ATOM 526 N LYS A 35 -2.353 13.329 7.054 1.00 0.00 N ATOM 527 CA LYS A 35 -3.184 13.001 8.200 1.00 0.00 C ATOM 528 C LYS A 35 -4.611 13.492 7.947 1.00 0.00 C ATOM 529 O LYS A 35 -5.557 12.999 8.559 1.00 0.00 O ATOM 530 CB LYS A 35 -2.563 13.551 9.487 1.00 0.00 C ATOM 531 CG LYS A 35 -3.626 13.740 10.571 1.00 0.00 C ATOM 532 CD LYS A 35 -2.979 13.954 11.940 1.00 0.00 C ATOM 533 CE LYS A 35 -3.861 14.833 12.831 1.00 0.00 C ATOM 534 NZ LYS A 35 -3.124 16.046 13.253 1.00 0.00 N ATOM 0 H LYS A 35 -1.633 14.028 7.235 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.238 11.921 8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.792 12.868 9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.075 14.504 9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.255 14.595 10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.276 12.866 10.604 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.813 12.991 12.423 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.002 14.421 11.816 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.764 15.118 12.291 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.179 14.269 13.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.642 16.517 14.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.176 15.778 13.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.035 16.696 12.446 1.00 0.00 H new ATOM 547 N ASP A 36 -4.719 14.455 7.045 1.00 0.00 N ATOM 548 CA ASP A 36 -6.015 15.017 6.703 1.00 0.00 C ATOM 549 C ASP A 36 -6.689 14.134 5.652 1.00 0.00 C ATOM 550 O ASP A 36 -7.856 14.335 5.321 1.00 0.00 O ATOM 551 CB ASP A 36 -5.869 16.423 6.116 1.00 0.00 C ATOM 552 CG ASP A 36 -6.715 17.499 6.797 1.00 0.00 C ATOM 553 OD1 ASP A 36 -6.198 18.338 7.549 1.00 0.00 O ATOM 554 OD2 ASP A 36 -7.975 17.456 6.523 1.00 0.00 O ATOM 0 H ASP A 36 -3.931 14.861 6.540 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.611 15.067 7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.821 16.717 6.172 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.134 16.388 5.059 1.00 0.00 H new ATOM 560 N ILE A 37 -5.924 13.171 5.155 1.00 0.00 N ATOM 561 CA ILE A 37 -6.433 12.256 4.148 1.00 0.00 C ATOM 562 C ILE A 37 -6.787 10.922 4.810 1.00 0.00 C ATOM 563 O ILE A 37 -5.948 10.309 5.467 1.00 0.00 O ATOM 564 CB ILE A 37 -5.439 12.123 2.994 1.00 0.00 C ATOM 565 CG1 ILE A 37 -5.230 13.468 2.293 1.00 0.00 C ATOM 566 CG2 ILE A 37 -5.875 11.030 2.016 1.00 0.00 C ATOM 567 CD1 ILE A 37 -4.310 13.317 1.079 1.00 0.00 C ATOM 0 H ILE A 37 -4.956 13.006 5.432 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.349 12.647 3.706 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.477 11.820 3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.192 13.871 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.800 14.184 2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.150 10.957 1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.932 10.075 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.854 11.278 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.178 14.287 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.341 12.937 1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.755 12.619 0.370 1.00 0.00 H new ATOM 579 N LYS A 38 -8.032 10.513 4.614 1.00 0.00 N ATOM 580 CA LYS A 38 -8.508 9.265 5.183 1.00 0.00 C ATOM 581 C LYS A 38 -9.930 8.993 4.688 1.00 0.00 C ATOM 582 O LYS A 38 -10.889 9.582 5.184 1.00 0.00 O ATOM 583 CB LYS A 38 -8.383 9.288 6.708 1.00 0.00 C ATOM 584 CG LYS A 38 -9.153 10.469 7.303 1.00 0.00 C ATOM 585 CD LYS A 38 -8.834 10.637 8.790 1.00 0.00 C ATOM 586 CE LYS A 38 -10.067 11.107 9.565 1.00 0.00 C ATOM 587 NZ LYS A 38 -9.665 11.854 10.777 1.00 0.00 N ATOM 0 H LYS A 38 -8.726 11.025 4.069 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.888 8.434 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.765 8.355 7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.332 9.355 6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.896 11.383 6.767 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.224 10.313 7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.482 9.690 9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.026 11.358 8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.684 11.741 8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.676 10.248 9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.514 12.165 11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.095 11.238 11.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.103 12.685 10.502 1.00 0.00 H new ATOM 600 N GLY A 39 -10.021 8.098 3.714 1.00 0.00 N ATOM 601 CA GLY A 39 -11.311 7.740 3.146 1.00 0.00 C ATOM 602 C GLY A 39 -11.410 6.229 2.922 1.00 0.00 C ATOM 603 O GLY A 39 -11.328 5.451 3.871 1.00 0.00 O ATOM 0 H GLY A 39 -9.224 7.611 3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.109 8.066 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.453 8.262 2.200 1.00 0.00 H new ATOM 607 N VAL A 40 -11.587 5.861 1.662 1.00 0.00 N ATOM 608 CA VAL A 40 -11.700 4.458 1.301 1.00 0.00 C ATOM 609 C VAL A 40 -10.887 4.195 0.032 1.00 0.00 C ATOM 610 O VAL A 40 -11.000 4.934 -0.945 1.00 0.00 O ATOM 611 CB VAL A 40 -13.173 4.070 1.159 1.00 0.00 C ATOM 612 CG1 VAL A 40 -13.319 2.592 0.794 1.00 0.00 C ATOM 613 CG2 VAL A 40 -13.952 4.399 2.434 1.00 0.00 C ATOM 0 H VAL A 40 -11.655 6.510 0.878 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.287 3.827 2.088 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.597 4.659 0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -14.376 2.343 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.815 2.400 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.870 1.978 1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -14.996 4.113 2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -13.525 3.849 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -13.890 5.469 2.632 1.00 0.00 H new ATOM 623 N SER A 41 -10.087 3.141 0.088 1.00 0.00 N ATOM 624 CA SER A 41 -9.255 2.771 -1.045 1.00 0.00 C ATOM 625 C SER A 41 -10.059 1.916 -2.026 1.00 0.00 C ATOM 626 O SER A 41 -10.963 1.186 -1.624 1.00 0.00 O ATOM 627 CB SER A 41 -8.003 2.020 -0.589 1.00 0.00 C ATOM 628 OG SER A 41 -7.006 1.978 -1.605 1.00 0.00 O ATOM 0 H SER A 41 -9.997 2.531 0.900 1.00 0.00 H new ATOM 0 HA SER A 41 -8.934 3.684 -1.546 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.595 2.502 0.300 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.274 1.003 -0.305 1.00 0.00 H new ATOM 0 HG SER A 41 -6.222 1.492 -1.274 1.00 0.00 H new ATOM 634 N GLU A 42 -9.700 2.034 -3.297 1.00 0.00 N ATOM 635 CA GLU A 42 -10.377 1.280 -4.339 1.00 0.00 C ATOM 636 C GLU A 42 -9.525 0.084 -4.767 1.00 0.00 C ATOM 637 O GLU A 42 -8.298 0.176 -4.815 1.00 0.00 O ATOM 638 CB GLU A 42 -10.707 2.174 -5.535 1.00 0.00 C ATOM 639 CG GLU A 42 -11.828 1.567 -6.381 1.00 0.00 C ATOM 640 CD GLU A 42 -12.129 2.439 -7.601 1.00 0.00 C ATOM 641 OE1 GLU A 42 -13.101 3.210 -7.588 1.00 0.00 O ATOM 642 OE2 GLU A 42 -11.311 2.297 -8.589 1.00 0.00 O ATOM 0 H GLU A 42 -8.949 2.640 -3.628 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.318 0.905 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.006 3.162 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.816 2.310 -6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.542 0.567 -6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.728 1.460 -5.775 1.00 0.00 H new ATOM 650 N ILE A 43 -10.207 -1.011 -5.068 1.00 0.00 N ATOM 651 CA ILE A 43 -9.528 -2.223 -5.490 1.00 0.00 C ATOM 652 C ILE A 43 -9.905 -2.536 -6.940 1.00 0.00 C ATOM 653 O ILE A 43 -11.086 -2.598 -7.278 1.00 0.00 O ATOM 654 CB ILE A 43 -9.821 -3.369 -4.519 1.00 0.00 C ATOM 655 CG1 ILE A 43 -9.123 -3.141 -3.176 1.00 0.00 C ATOM 656 CG2 ILE A 43 -9.451 -4.719 -5.135 1.00 0.00 C ATOM 657 CD1 ILE A 43 -9.589 -4.161 -2.136 1.00 0.00 C ATOM 0 H ILE A 43 -11.224 -1.084 -5.028 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.448 -2.081 -5.463 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.894 -3.387 -4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.043 -3.216 -3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.332 -2.132 -2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.669 -5.516 -4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.031 -4.875 -6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.388 -4.730 -5.377 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.078 -3.977 -1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.665 -4.067 -1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.357 -5.167 -2.484 1.00 0.00 H new ATOM 669 N VAL A 44 -8.879 -2.723 -7.758 1.00 0.00 N ATOM 670 CA VAL A 44 -9.088 -3.027 -9.163 1.00 0.00 C ATOM 671 C VAL A 44 -8.634 -4.461 -9.444 1.00 0.00 C ATOM 672 O VAL A 44 -7.500 -4.827 -9.142 1.00 0.00 O ATOM 673 CB VAL A 44 -8.373 -1.992 -10.035 1.00 0.00 C ATOM 674 CG1 VAL A 44 -8.721 -2.185 -11.512 1.00 0.00 C ATOM 675 CG2 VAL A 44 -8.698 -0.570 -9.575 1.00 0.00 C ATOM 0 H VAL A 44 -7.901 -2.670 -7.474 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.147 -2.967 -9.413 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.299 -2.143 -9.922 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.200 -1.437 -12.109 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.415 -3.181 -11.831 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.797 -2.074 -11.650 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.178 0.146 -10.211 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.773 -0.402 -9.644 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.376 -0.439 -8.542 1.00 0.00 H new ATOM 685 N GLN A 45 -9.545 -5.234 -10.017 1.00 0.00 N ATOM 686 CA GLN A 45 -9.252 -6.619 -10.342 1.00 0.00 C ATOM 687 C GLN A 45 -9.649 -6.921 -11.789 1.00 0.00 C ATOM 688 O GLN A 45 -10.664 -6.424 -12.274 1.00 0.00 O ATOM 689 CB GLN A 45 -9.956 -7.571 -9.371 1.00 0.00 C ATOM 690 CG GLN A 45 -9.690 -9.030 -9.743 1.00 0.00 C ATOM 691 CD GLN A 45 -10.835 -9.599 -10.584 1.00 0.00 C ATOM 692 OE1 GLN A 45 -10.946 -9.356 -11.774 1.00 0.00 O ATOM 693 NE2 GLN A 45 -11.679 -10.366 -9.900 1.00 0.00 N ATOM 0 H GLN A 45 -10.486 -4.927 -10.264 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.178 -6.776 -10.240 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.609 -7.382 -8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.029 -7.379 -9.382 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.755 -9.103 -10.299 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.569 -9.624 -8.837 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.528 -10.529 -8.905 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.478 -10.791 -10.371 1.00 0.00 H new ATOM 702 N ASN A 46 -8.827 -7.733 -12.437 1.00 0.00 N ATOM 703 CA ASN A 46 -9.080 -8.108 -13.818 1.00 0.00 C ATOM 704 C ASN A 46 -8.297 -9.381 -14.148 1.00 0.00 C ATOM 705 O ASN A 46 -7.262 -9.323 -14.810 1.00 0.00 O ATOM 706 CB ASN A 46 -8.621 -7.008 -14.778 1.00 0.00 C ATOM 707 CG ASN A 46 -9.809 -6.181 -15.271 1.00 0.00 C ATOM 708 OD1 ASN A 46 -10.649 -6.641 -16.028 1.00 0.00 O ATOM 709 ND2 ASN A 46 -9.835 -4.937 -14.801 1.00 0.00 N ATOM 0 H ASN A 46 -7.985 -8.142 -12.031 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.152 -8.266 -13.935 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.904 -6.358 -14.276 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.106 -7.454 -15.629 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.589 -4.305 -15.071 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.101 -4.615 -14.171 1.00 0.00 H new ATOM 716 N GLY A 47 -8.823 -10.500 -13.673 1.00 0.00 N ATOM 717 CA GLY A 47 -8.187 -11.785 -13.909 1.00 0.00 C ATOM 718 C GLY A 47 -7.076 -12.043 -12.888 1.00 0.00 C ATOM 719 O GLY A 47 -7.353 -12.327 -11.724 1.00 0.00 O ATOM 0 H GLY A 47 -9.683 -10.544 -13.126 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.931 -12.579 -13.850 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.773 -11.810 -14.917 1.00 0.00 H new ATOM 723 N LYS A 48 -5.844 -11.935 -13.363 1.00 0.00 N ATOM 724 CA LYS A 48 -4.691 -12.154 -12.505 1.00 0.00 C ATOM 725 C LYS A 48 -3.997 -10.817 -12.240 1.00 0.00 C ATOM 726 O LYS A 48 -3.253 -10.680 -11.269 1.00 0.00 O ATOM 727 CB LYS A 48 -3.769 -13.216 -13.108 1.00 0.00 C ATOM 728 CG LYS A 48 -4.490 -14.559 -13.236 1.00 0.00 C ATOM 729 CD LYS A 48 -4.075 -15.514 -12.114 1.00 0.00 C ATOM 730 CE LYS A 48 -4.729 -16.885 -12.289 1.00 0.00 C ATOM 731 NZ LYS A 48 -4.618 -17.676 -11.044 1.00 0.00 N ATOM 0 H LYS A 48 -5.619 -11.699 -14.329 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.005 -12.548 -11.538 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.425 -12.889 -14.089 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.884 -13.332 -12.482 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.568 -14.401 -13.204 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.262 -15.007 -14.203 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.990 -15.623 -12.107 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.359 -15.092 -11.150 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.779 -16.762 -12.556 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.252 -17.420 -13.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.067 -18.604 -11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.614 -17.809 -10.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.094 -17.172 -10.269 1.00 0.00 H new ATOM 744 N HIS A 49 -4.265 -9.863 -13.120 1.00 0.00 N ATOM 745 CA HIS A 49 -3.675 -8.541 -12.993 1.00 0.00 C ATOM 746 C HIS A 49 -4.658 -7.607 -12.286 1.00 0.00 C ATOM 747 O HIS A 49 -5.828 -7.532 -12.659 1.00 0.00 O ATOM 748 CB HIS A 49 -3.230 -8.011 -14.357 1.00 0.00 C ATOM 749 CG HIS A 49 -4.371 -7.612 -15.263 1.00 0.00 C ATOM 750 ND1 HIS A 49 -5.043 -6.409 -15.136 1.00 0.00 N ATOM 751 CD2 HIS A 49 -4.949 -8.267 -16.310 1.00 0.00 C ATOM 752 CE1 HIS A 49 -5.982 -6.354 -16.068 1.00 0.00 C ATOM 753 NE2 HIS A 49 -5.923 -7.507 -16.795 1.00 0.00 N ATOM 0 H HIS A 49 -4.883 -9.979 -13.923 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.776 -8.597 -12.380 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.581 -7.149 -14.206 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.634 -8.775 -14.856 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -4.663 -9.240 -16.682 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.673 -5.539 -16.225 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -6.527 -7.745 -17.581 1.00 0.00 H new ATOM 761 N PHE A 50 -4.149 -6.916 -11.276 1.00 0.00 N ATOM 762 CA PHE A 50 -4.967 -5.989 -10.514 1.00 0.00 C ATOM 763 C PHE A 50 -4.419 -4.564 -10.612 1.00 0.00 C ATOM 764 O PHE A 50 -3.232 -4.369 -10.867 1.00 0.00 O ATOM 765 CB PHE A 50 -4.915 -6.443 -9.053 1.00 0.00 C ATOM 766 CG PHE A 50 -4.996 -7.960 -8.871 1.00 0.00 C ATOM 767 CD1 PHE A 50 -5.978 -8.668 -9.491 1.00 0.00 C ATOM 768 CD2 PHE A 50 -4.087 -8.600 -8.087 1.00 0.00 C ATOM 769 CE1 PHE A 50 -6.054 -10.076 -9.322 1.00 0.00 C ATOM 770 CE2 PHE A 50 -4.164 -10.008 -7.917 1.00 0.00 C ATOM 771 CZ PHE A 50 -5.144 -10.716 -8.538 1.00 0.00 C ATOM 0 H PHE A 50 -3.179 -6.980 -10.968 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.985 -5.985 -10.904 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.990 -6.082 -8.604 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.737 -5.977 -8.509 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.700 -8.159 -10.112 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.307 -8.038 -7.594 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.833 -10.638 -9.815 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.443 -10.516 -7.294 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.201 -11.787 -8.409 1.00 0.00 H new ATOM 781 N LYS A 51 -5.310 -3.606 -10.404 1.00 0.00 N ATOM 782 CA LYS A 51 -4.930 -2.205 -10.465 1.00 0.00 C ATOM 783 C LYS A 51 -5.093 -1.575 -9.081 1.00 0.00 C ATOM 784 O LYS A 51 -5.872 -2.060 -8.262 1.00 0.00 O ATOM 785 CB LYS A 51 -5.714 -1.485 -11.565 1.00 0.00 C ATOM 786 CG LYS A 51 -4.773 -0.741 -12.513 1.00 0.00 C ATOM 787 CD LYS A 51 -5.342 -0.702 -13.933 1.00 0.00 C ATOM 788 CE LYS A 51 -6.305 0.475 -14.105 1.00 0.00 C ATOM 789 NZ LYS A 51 -5.897 1.314 -15.254 1.00 0.00 N ATOM 0 H LYS A 51 -6.294 -3.772 -10.193 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.879 -2.107 -10.738 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.305 -2.208 -12.127 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.414 -0.781 -11.116 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.617 0.276 -12.152 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.799 -1.230 -12.521 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.528 -0.619 -14.653 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.862 -1.636 -14.146 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.318 0.104 -14.259 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.321 1.076 -13.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.561 2.108 -15.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.938 1.683 -15.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.905 0.741 -16.122 1.00 0.00 H new ATOM 802 N PHE A 52 -4.344 -0.505 -8.861 1.00 0.00 N ATOM 803 CA PHE A 52 -4.396 0.197 -7.589 1.00 0.00 C ATOM 804 C PHE A 52 -4.764 1.669 -7.789 1.00 0.00 C ATOM 805 O PHE A 52 -4.373 2.281 -8.782 1.00 0.00 O ATOM 806 CB PHE A 52 -2.998 0.112 -6.975 1.00 0.00 C ATOM 807 CG PHE A 52 -2.649 -1.267 -6.411 1.00 0.00 C ATOM 808 CD1 PHE A 52 -3.116 -1.640 -5.189 1.00 0.00 C ATOM 809 CD2 PHE A 52 -1.872 -2.119 -7.131 1.00 0.00 C ATOM 810 CE1 PHE A 52 -2.792 -2.919 -4.666 1.00 0.00 C ATOM 811 CE2 PHE A 52 -1.548 -3.399 -6.608 1.00 0.00 C ATOM 812 CZ PHE A 52 -2.015 -3.772 -5.386 1.00 0.00 C ATOM 0 H PHE A 52 -3.697 -0.106 -9.542 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.152 -0.254 -6.946 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.262 0.380 -7.733 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.917 0.851 -6.177 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.733 -0.963 -4.617 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.501 -1.822 -8.101 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.163 -3.215 -3.696 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.931 -4.076 -7.180 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.769 -4.745 -4.988 1.00 0.00 H new ATOM 822 N THR A 53 -5.511 2.194 -6.830 1.00 0.00 N ATOM 823 CA THR A 53 -5.937 3.583 -6.888 1.00 0.00 C ATOM 824 C THR A 53 -5.789 4.244 -5.516 1.00 0.00 C ATOM 825 O THR A 53 -6.050 3.617 -4.490 1.00 0.00 O ATOM 826 CB THR A 53 -7.368 3.617 -7.428 1.00 0.00 C ATOM 827 OG1 THR A 53 -7.263 3.035 -8.725 1.00 0.00 O ATOM 828 CG2 THR A 53 -7.857 5.041 -7.698 1.00 0.00 C ATOM 0 H THR A 53 -5.833 1.683 -6.008 1.00 0.00 H new ATOM 0 HA THR A 53 -5.306 4.162 -7.563 1.00 0.00 H new ATOM 0 HB THR A 53 -8.036 3.132 -6.717 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.147 3.016 -9.147 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.877 5.009 -8.080 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.834 5.615 -6.772 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.209 5.515 -8.435 1.00 0.00 H new ATOM 836 N ILE A 54 -5.369 5.500 -5.542 1.00 0.00 N ATOM 837 CA ILE A 54 -5.183 6.253 -4.314 1.00 0.00 C ATOM 838 C ILE A 54 -6.288 7.304 -4.193 1.00 0.00 C ATOM 839 O ILE A 54 -6.386 8.205 -5.024 1.00 0.00 O ATOM 840 CB ILE A 54 -3.771 6.835 -4.250 1.00 0.00 C ATOM 841 CG1 ILE A 54 -3.311 7.003 -2.800 1.00 0.00 C ATOM 842 CG2 ILE A 54 -3.682 8.146 -5.034 1.00 0.00 C ATOM 843 CD1 ILE A 54 -2.935 5.653 -2.185 1.00 0.00 C ATOM 0 H ILE A 54 -5.152 6.015 -6.395 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.271 5.597 -3.448 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.090 6.129 -4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.454 7.675 -2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.105 7.465 -2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.667 8.539 -4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.938 7.964 -6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.378 8.871 -4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.612 5.800 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.801 4.991 -2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.124 5.205 -2.759 1.00 0.00 H new ATOM 855 N THR A 55 -7.093 7.155 -3.149 1.00 0.00 N ATOM 856 CA THR A 55 -8.186 8.080 -2.909 1.00 0.00 C ATOM 857 C THR A 55 -7.722 9.234 -2.018 1.00 0.00 C ATOM 858 O THR A 55 -8.351 9.532 -1.004 1.00 0.00 O ATOM 859 CB THR A 55 -9.354 7.288 -2.319 1.00 0.00 C ATOM 860 OG1 THR A 55 -9.597 6.260 -3.275 1.00 0.00 O ATOM 861 CG2 THR A 55 -10.656 8.092 -2.298 1.00 0.00 C ATOM 0 H THR A 55 -7.009 6.407 -2.461 1.00 0.00 H new ATOM 0 HA THR A 55 -8.524 8.543 -3.836 1.00 0.00 H new ATOM 0 HB THR A 55 -9.104 6.975 -1.305 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.116 5.541 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 55 -11.453 7.483 -1.870 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.520 8.989 -1.694 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.924 8.377 -3.315 1.00 0.00 H new ATOM 869 N ALA A 56 -6.626 9.853 -2.431 1.00 0.00 N ATOM 870 CA ALA A 56 -6.071 10.968 -1.682 1.00 0.00 C ATOM 871 C ALA A 56 -6.701 12.273 -2.175 1.00 0.00 C ATOM 872 O ALA A 56 -6.923 12.445 -3.373 1.00 0.00 O ATOM 873 CB ALA A 56 -4.547 10.969 -1.822 1.00 0.00 C ATOM 0 H ALA A 56 -6.108 9.604 -3.274 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.302 10.870 -0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.131 11.805 -1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.145 10.034 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.278 11.069 -2.874 1.00 0.00 H new ATOM 879 N GLY A 57 -6.973 13.156 -1.227 1.00 0.00 N ATOM 880 CA GLY A 57 -7.575 14.439 -1.549 1.00 0.00 C ATOM 881 C GLY A 57 -6.785 15.155 -2.647 1.00 0.00 C ATOM 882 O GLY A 57 -7.354 15.902 -3.440 1.00 0.00 O ATOM 0 H GLY A 57 -6.788 13.009 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.604 14.290 -1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.610 15.063 -0.656 1.00 0.00 H new ATOM 886 N SER A 58 -5.483 14.901 -2.655 1.00 0.00 N ATOM 887 CA SER A 58 -4.609 15.511 -3.643 1.00 0.00 C ATOM 888 C SER A 58 -5.070 15.138 -5.053 1.00 0.00 C ATOM 889 O SER A 58 -5.640 15.965 -5.763 1.00 0.00 O ATOM 890 CB SER A 58 -3.155 15.085 -3.429 1.00 0.00 C ATOM 891 OG SER A 58 -3.028 13.672 -3.295 1.00 0.00 O ATOM 0 H SER A 58 -5.014 14.282 -1.994 1.00 0.00 H new ATOM 0 HA SER A 58 -4.664 16.593 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.550 15.426 -4.269 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.762 15.571 -2.536 1.00 0.00 H new ATOM 0 HG SER A 58 -2.085 13.439 -3.162 1.00 0.00 H new ATOM 897 N LYS A 59 -4.806 13.891 -5.416 1.00 0.00 N ATOM 898 CA LYS A 59 -5.186 13.398 -6.729 1.00 0.00 C ATOM 899 C LYS A 59 -5.302 11.873 -6.682 1.00 0.00 C ATOM 900 O LYS A 59 -5.415 11.289 -5.606 1.00 0.00 O ATOM 901 CB LYS A 59 -4.215 13.908 -7.795 1.00 0.00 C ATOM 902 CG LYS A 59 -2.860 13.205 -7.684 1.00 0.00 C ATOM 903 CD LYS A 59 -1.824 14.111 -7.015 1.00 0.00 C ATOM 904 CE LYS A 59 -0.844 14.675 -8.044 1.00 0.00 C ATOM 905 NZ LYS A 59 -1.355 15.946 -8.605 1.00 0.00 N ATOM 0 H LYS A 59 -4.334 13.208 -4.824 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.165 13.784 -7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.636 13.739 -8.786 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.081 14.984 -7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.970 12.286 -7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.512 12.920 -8.677 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.329 14.929 -6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.278 13.548 -6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.127 14.841 -7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.693 13.952 -8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.677 16.315 -9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.271 15.778 -9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.476 16.639 -7.839 1.00 0.00 H new ATOM 918 N VAL A 60 -5.272 11.273 -7.863 1.00 0.00 N ATOM 919 CA VAL A 60 -5.373 9.827 -7.970 1.00 0.00 C ATOM 920 C VAL A 60 -4.230 9.304 -8.841 1.00 0.00 C ATOM 921 O VAL A 60 -3.717 10.023 -9.697 1.00 0.00 O ATOM 922 CB VAL A 60 -6.755 9.437 -8.500 1.00 0.00 C ATOM 923 CG1 VAL A 60 -7.396 8.362 -7.620 1.00 0.00 C ATOM 924 CG2 VAL A 60 -7.663 10.663 -8.618 1.00 0.00 C ATOM 0 H VAL A 60 -5.179 11.761 -8.754 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.273 9.363 -6.989 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.626 9.019 -9.498 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.377 8.103 -8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.763 7.475 -7.610 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.506 8.741 -6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.639 10.358 -8.997 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.782 11.123 -7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.216 11.382 -9.304 1.00 0.00 H new ATOM 934 N ILE A 61 -3.863 8.054 -8.592 1.00 0.00 N ATOM 935 CA ILE A 61 -2.789 7.427 -9.343 1.00 0.00 C ATOM 936 C ILE A 61 -3.260 6.064 -9.854 1.00 0.00 C ATOM 937 O ILE A 61 -3.877 5.298 -9.116 1.00 0.00 O ATOM 938 CB ILE A 61 -1.515 7.359 -8.500 1.00 0.00 C ATOM 939 CG1 ILE A 61 -0.969 8.761 -8.219 1.00 0.00 C ATOM 940 CG2 ILE A 61 -0.468 6.458 -9.158 1.00 0.00 C ATOM 941 CD1 ILE A 61 0.282 8.697 -7.340 1.00 0.00 C ATOM 0 H ILE A 61 -4.290 7.460 -7.881 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.534 8.027 -10.217 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.766 6.911 -7.538 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.732 9.258 -9.160 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.734 9.361 -7.726 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.428 6.428 -8.537 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.870 5.450 -9.264 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.215 6.853 -10.142 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.649 9.707 -7.156 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.036 8.222 -6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.053 8.117 -7.847 1.00 0.00 H new ATOM 953 N GLN A 62 -2.952 5.802 -11.116 1.00 0.00 N ATOM 954 CA GLN A 62 -3.336 4.545 -11.736 1.00 0.00 C ATOM 955 C GLN A 62 -2.104 3.664 -11.957 1.00 0.00 C ATOM 956 O GLN A 62 -1.157 4.073 -12.626 1.00 0.00 O ATOM 957 CB GLN A 62 -4.081 4.786 -13.050 1.00 0.00 C ATOM 958 CG GLN A 62 -5.574 5.008 -12.802 1.00 0.00 C ATOM 959 CD GLN A 62 -6.221 5.746 -13.975 1.00 0.00 C ATOM 960 OE1 GLN A 62 -6.112 5.355 -15.125 1.00 0.00 O ATOM 961 NE2 GLN A 62 -6.900 6.834 -13.621 1.00 0.00 N ATOM 0 H GLN A 62 -2.441 6.439 -11.726 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.016 4.023 -11.062 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.660 5.654 -13.557 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.942 3.932 -13.713 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.068 4.048 -12.655 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.713 5.582 -11.886 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.952 7.106 -12.639 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.369 7.396 -14.331 1.00 0.00 H new ATOM 970 N ASN A 63 -2.158 2.472 -11.381 1.00 0.00 N ATOM 971 CA ASN A 63 -1.058 1.530 -11.507 1.00 0.00 C ATOM 972 C ASN A 63 -1.617 0.108 -11.592 1.00 0.00 C ATOM 973 O ASN A 63 -2.598 -0.217 -10.925 1.00 0.00 O ATOM 974 CB ASN A 63 -0.130 1.602 -10.292 1.00 0.00 C ATOM 975 CG ASN A 63 0.554 2.967 -10.205 1.00 0.00 C ATOM 976 OD1 ASN A 63 0.722 3.670 -11.187 1.00 0.00 O ATOM 977 ND2 ASN A 63 0.936 3.302 -8.976 1.00 0.00 N ATOM 0 H ASN A 63 -2.946 2.137 -10.826 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.496 1.785 -12.406 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.702 1.419 -9.382 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.624 0.817 -10.358 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.401 4.195 -8.812 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.764 2.666 -8.197 1.00 0.00 H new ATOM 984 N GLU A 64 -0.969 -0.699 -12.418 1.00 0.00 N ATOM 985 CA GLU A 64 -1.391 -2.078 -12.600 1.00 0.00 C ATOM 986 C GLU A 64 -0.231 -3.031 -12.299 1.00 0.00 C ATOM 987 O GLU A 64 0.931 -2.687 -12.516 1.00 0.00 O ATOM 988 CB GLU A 64 -1.935 -2.305 -14.011 1.00 0.00 C ATOM 989 CG GLU A 64 -0.849 -2.066 -15.062 1.00 0.00 C ATOM 990 CD GLU A 64 -1.403 -2.261 -16.476 1.00 0.00 C ATOM 991 OE1 GLU A 64 -2.588 -1.993 -16.720 1.00 0.00 O ATOM 992 OE2 GLU A 64 -0.552 -2.708 -17.337 1.00 0.00 O ATOM 0 H GLU A 64 -0.155 -0.425 -12.969 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.199 -2.286 -11.899 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.314 -3.323 -14.099 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.776 -1.635 -14.193 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.454 -1.056 -14.958 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.019 -2.752 -14.895 1.00 0.00 H new ATOM 1000 N PHE A 65 -0.585 -4.208 -11.808 1.00 0.00 N ATOM 1001 CA PHE A 65 0.411 -5.212 -11.476 1.00 0.00 C ATOM 1002 C PHE A 65 -0.136 -6.623 -11.701 1.00 0.00 C ATOM 1003 O PHE A 65 -1.344 -6.844 -11.624 1.00 0.00 O ATOM 1004 CB PHE A 65 0.745 -5.038 -9.993 1.00 0.00 C ATOM 1005 CG PHE A 65 2.229 -5.218 -9.664 1.00 0.00 C ATOM 1006 CD1 PHE A 65 3.086 -4.170 -9.792 1.00 0.00 C ATOM 1007 CD2 PHE A 65 2.690 -6.427 -9.245 1.00 0.00 C ATOM 1008 CE1 PHE A 65 4.462 -4.338 -9.488 1.00 0.00 C ATOM 1009 CE2 PHE A 65 4.067 -6.594 -8.939 1.00 0.00 C ATOM 1010 CZ PHE A 65 4.924 -5.546 -9.067 1.00 0.00 C ATOM 0 H PHE A 65 -1.549 -4.490 -11.632 1.00 0.00 H new ATOM 0 HA PHE A 65 1.290 -5.087 -12.108 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.431 -4.044 -9.674 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.165 -5.757 -9.414 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.720 -3.210 -10.125 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.009 -7.260 -9.145 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.143 -3.506 -9.591 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.433 -7.553 -8.605 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.971 -5.673 -8.834 1.00 0.00 H new ATOM 1020 N THR A 66 0.779 -7.542 -11.973 1.00 0.00 N ATOM 1021 CA THR A 66 0.403 -8.925 -12.210 1.00 0.00 C ATOM 1022 C THR A 66 1.100 -9.846 -11.207 1.00 0.00 C ATOM 1023 O THR A 66 2.243 -9.601 -10.823 1.00 0.00 O ATOM 1024 CB THR A 66 0.726 -9.260 -13.667 1.00 0.00 C ATOM 1025 OG1 THR A 66 -0.105 -8.378 -14.418 1.00 0.00 O ATOM 1026 CG2 THR A 66 0.243 -10.656 -14.068 1.00 0.00 C ATOM 0 H THR A 66 1.780 -7.356 -12.034 1.00 0.00 H new ATOM 0 HA THR A 66 -0.665 -9.076 -12.056 1.00 0.00 H new ATOM 0 HB THR A 66 1.802 -9.188 -13.826 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.042 -8.526 -15.376 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.497 -10.843 -15.111 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.725 -11.403 -13.437 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.838 -10.717 -13.941 1.00 0.00 H new ATOM 1034 N VAL A 67 0.383 -10.887 -10.809 1.00 0.00 N ATOM 1035 CA VAL A 67 0.918 -11.846 -9.858 1.00 0.00 C ATOM 1036 C VAL A 67 2.165 -12.506 -10.452 1.00 0.00 C ATOM 1037 O VAL A 67 2.362 -12.488 -11.666 1.00 0.00 O ATOM 1038 CB VAL A 67 -0.163 -12.855 -9.468 1.00 0.00 C ATOM 1039 CG1 VAL A 67 -1.012 -13.246 -10.679 1.00 0.00 C ATOM 1040 CG2 VAL A 67 0.453 -14.091 -8.808 1.00 0.00 C ATOM 0 H VAL A 67 -0.565 -11.087 -11.128 1.00 0.00 H new ATOM 0 HA VAL A 67 1.222 -11.344 -8.940 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.819 -12.378 -8.740 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.773 -13.964 -10.373 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.495 -12.358 -11.087 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.374 -13.695 -11.441 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.337 -14.793 -8.540 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.143 -14.569 -9.504 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.993 -13.793 -7.909 1.00 0.00 H new ATOM 1050 N GLY A 68 2.975 -13.071 -9.568 1.00 0.00 N ATOM 1051 CA GLY A 68 4.196 -13.734 -9.990 1.00 0.00 C ATOM 1052 C GLY A 68 4.861 -12.979 -11.142 1.00 0.00 C ATOM 1053 O GLY A 68 5.542 -13.579 -11.973 1.00 0.00 O ATOM 0 H GLY A 68 2.809 -13.083 -8.562 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.886 -13.802 -9.149 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.971 -14.754 -10.301 1.00 0.00 H new ATOM 1057 N GLU A 69 4.640 -11.672 -11.157 1.00 0.00 N ATOM 1058 CA GLU A 69 5.209 -10.829 -12.194 1.00 0.00 C ATOM 1059 C GLU A 69 6.011 -9.685 -11.567 1.00 0.00 C ATOM 1060 O GLU A 69 5.937 -9.459 -10.361 1.00 0.00 O ATOM 1061 CB GLU A 69 4.119 -10.290 -13.122 1.00 0.00 C ATOM 1062 CG GLU A 69 4.130 -11.023 -14.465 1.00 0.00 C ATOM 1063 CD GLU A 69 5.210 -10.458 -15.389 1.00 0.00 C ATOM 1064 OE1 GLU A 69 6.216 -11.134 -15.654 1.00 0.00 O ATOM 1065 OE2 GLU A 69 4.977 -9.272 -15.839 1.00 0.00 O ATOM 0 H GLU A 69 4.075 -11.177 -10.467 1.00 0.00 H new ATOM 0 HA GLU A 69 5.886 -11.434 -12.797 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.144 -10.405 -12.649 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.270 -9.223 -13.285 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.306 -12.086 -14.302 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.154 -10.931 -14.942 1.00 0.00 H new ATOM 1073 N GLU A 70 6.758 -8.995 -12.416 1.00 0.00 N ATOM 1074 CA GLU A 70 7.572 -7.881 -11.961 1.00 0.00 C ATOM 1075 C GLU A 70 7.278 -6.633 -12.796 1.00 0.00 C ATOM 1076 O GLU A 70 7.357 -6.669 -14.023 1.00 0.00 O ATOM 1077 CB GLU A 70 9.059 -8.233 -12.009 1.00 0.00 C ATOM 1078 CG GLU A 70 9.634 -8.003 -13.409 1.00 0.00 C ATOM 1079 CD GLU A 70 11.059 -8.548 -13.513 1.00 0.00 C ATOM 1080 OE1 GLU A 70 11.418 -9.489 -12.789 1.00 0.00 O ATOM 1081 OE2 GLU A 70 11.806 -7.959 -14.385 1.00 0.00 O ATOM 0 H GLU A 70 6.817 -9.186 -13.416 1.00 0.00 H new ATOM 0 HA GLU A 70 7.315 -7.670 -10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.603 -7.627 -11.285 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.199 -9.275 -11.722 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.000 -8.489 -14.151 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.631 -6.937 -13.637 1.00 0.00 H new ATOM 1089 N CYS A 71 6.943 -5.558 -12.097 1.00 0.00 N ATOM 1090 CA CYS A 71 6.637 -4.301 -12.758 1.00 0.00 C ATOM 1091 C CYS A 71 7.386 -3.181 -12.032 1.00 0.00 C ATOM 1092 O CYS A 71 7.772 -3.337 -10.875 1.00 0.00 O ATOM 1093 CB CYS A 71 5.130 -4.040 -12.807 1.00 0.00 C ATOM 1094 SG CYS A 71 4.299 -5.358 -13.768 1.00 0.00 S ATOM 0 H CYS A 71 6.877 -5.532 -11.079 1.00 0.00 H new ATOM 0 HA CYS A 71 6.967 -4.344 -13.796 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.725 -4.005 -11.796 1.00 0.00 H new ATOM 0 HB3 CYS A 71 4.935 -3.069 -13.262 1.00 0.00 H new ATOM 0 HG CYS A 71 3.020 -5.129 -13.802 1.00 0.00 H new ATOM 1100 N GLU A 72 7.566 -2.077 -12.741 1.00 0.00 N ATOM 1101 CA GLU A 72 8.262 -0.931 -12.179 1.00 0.00 C ATOM 1102 C GLU A 72 7.346 0.293 -12.170 1.00 0.00 C ATOM 1103 O GLU A 72 6.841 0.704 -13.213 1.00 0.00 O ATOM 1104 CB GLU A 72 9.554 -0.644 -12.945 1.00 0.00 C ATOM 1105 CG GLU A 72 9.258 0.044 -14.280 1.00 0.00 C ATOM 1106 CD GLU A 72 10.300 -0.334 -15.334 1.00 0.00 C ATOM 1107 OE1 GLU A 72 10.040 -1.204 -16.178 1.00 0.00 O ATOM 1108 OE2 GLU A 72 11.413 0.314 -15.258 1.00 0.00 O ATOM 0 H GLU A 72 7.242 -1.951 -13.700 1.00 0.00 H new ATOM 0 HA GLU A 72 8.534 -1.165 -11.150 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.206 -0.011 -12.342 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.090 -1.576 -13.123 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.265 -0.240 -14.627 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.250 1.125 -14.142 1.00 0.00 H new ATOM 1116 N LEU A 73 7.158 0.843 -10.978 1.00 0.00 N ATOM 1117 CA LEU A 73 6.311 2.013 -10.819 1.00 0.00 C ATOM 1118 C LEU A 73 7.147 3.174 -10.276 1.00 0.00 C ATOM 1119 O LEU A 73 8.058 2.964 -9.476 1.00 0.00 O ATOM 1120 CB LEU A 73 5.091 1.678 -9.959 1.00 0.00 C ATOM 1121 CG LEU A 73 4.212 0.530 -10.458 1.00 0.00 C ATOM 1122 CD1 LEU A 73 3.337 -0.022 -9.331 1.00 0.00 C ATOM 1123 CD2 LEU A 73 3.382 0.962 -11.669 1.00 0.00 C ATOM 0 H LEU A 73 7.578 0.500 -10.114 1.00 0.00 H new ATOM 0 HA LEU A 73 5.915 2.330 -11.784 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.436 1.435 -8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.473 2.572 -9.876 1.00 0.00 H new ATOM 0 HG LEU A 73 4.863 -0.281 -10.786 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.722 -0.837 -9.713 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.972 -0.393 -8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.693 0.770 -8.949 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.766 0.128 -12.004 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.740 1.798 -11.391 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.048 1.268 -12.476 1.00 0.00 H new ATOM 1135 N GLU A 74 6.808 4.370 -10.730 1.00 0.00 N ATOM 1136 CA GLU A 74 7.516 5.563 -10.300 1.00 0.00 C ATOM 1137 C GLU A 74 7.083 5.956 -8.886 1.00 0.00 C ATOM 1138 O GLU A 74 5.929 6.319 -8.665 1.00 0.00 O ATOM 1139 CB GLU A 74 7.296 6.716 -11.281 1.00 0.00 C ATOM 1140 CG GLU A 74 8.290 6.646 -12.441 1.00 0.00 C ATOM 1141 CD GLU A 74 7.563 6.654 -13.788 1.00 0.00 C ATOM 1142 OE1 GLU A 74 6.382 7.025 -13.852 1.00 0.00 O ATOM 1143 OE2 GLU A 74 8.270 6.258 -14.792 1.00 0.00 O ATOM 0 H GLU A 74 6.051 4.539 -11.392 1.00 0.00 H new ATOM 0 HA GLU A 74 8.583 5.342 -10.285 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.277 6.680 -11.668 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.406 7.667 -10.760 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.975 7.492 -12.389 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.892 5.742 -12.354 1.00 0.00 H new ATOM 1151 N THR A 75 8.031 5.870 -7.965 1.00 0.00 N ATOM 1152 CA THR A 75 7.763 6.213 -6.579 1.00 0.00 C ATOM 1153 C THR A 75 7.170 7.620 -6.483 1.00 0.00 C ATOM 1154 O THR A 75 6.923 8.264 -7.500 1.00 0.00 O ATOM 1155 CB THR A 75 9.062 6.045 -5.789 1.00 0.00 C ATOM 1156 OG1 THR A 75 10.018 6.796 -6.532 1.00 0.00 O ATOM 1157 CG2 THR A 75 9.596 4.612 -5.838 1.00 0.00 C ATOM 0 H THR A 75 8.987 5.567 -8.152 1.00 0.00 H new ATOM 0 HA THR A 75 7.015 5.549 -6.145 1.00 0.00 H new ATOM 0 HB THR A 75 8.896 6.336 -4.752 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.364 6.249 -7.268 1.00 0.00 H new ATOM 0 HG21 THR A 75 10.519 4.548 -5.262 1.00 0.00 H new ATOM 0 HG22 THR A 75 8.856 3.933 -5.415 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.794 4.333 -6.873 1.00 0.00 H new ATOM 1165 N MET A 76 6.960 8.054 -5.249 1.00 0.00 N ATOM 1166 CA MET A 76 6.401 9.374 -5.006 1.00 0.00 C ATOM 1167 C MET A 76 7.498 10.441 -4.994 1.00 0.00 C ATOM 1168 O MET A 76 7.207 11.636 -4.974 1.00 0.00 O ATOM 1169 CB MET A 76 5.669 9.379 -3.662 1.00 0.00 C ATOM 1170 CG MET A 76 4.176 9.106 -3.851 1.00 0.00 C ATOM 1171 SD MET A 76 3.749 7.528 -3.134 1.00 0.00 S ATOM 1172 CE MET A 76 2.698 8.069 -1.797 1.00 0.00 C ATOM 0 H MET A 76 7.166 7.516 -4.407 1.00 0.00 H new ATOM 0 HA MET A 76 5.704 9.606 -5.811 1.00 0.00 H new ATOM 0 HB2 MET A 76 6.100 8.623 -3.006 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.807 10.343 -3.172 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.591 9.898 -3.383 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.928 9.112 -4.912 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.341 7.202 -1.241 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.264 8.720 -1.130 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.847 8.616 -2.202 1.00 0.00 H new ATOM 1182 N THR A 77 8.737 9.970 -5.004 1.00 0.00 N ATOM 1183 CA THR A 77 9.878 10.868 -4.995 1.00 0.00 C ATOM 1184 C THR A 77 10.426 11.050 -6.412 1.00 0.00 C ATOM 1185 O THR A 77 11.531 11.560 -6.594 1.00 0.00 O ATOM 1186 CB THR A 77 10.910 10.310 -4.012 1.00 0.00 C ATOM 1187 OG1 THR A 77 11.200 9.009 -4.514 1.00 0.00 O ATOM 1188 CG2 THR A 77 10.318 10.053 -2.625 1.00 0.00 C ATOM 0 H THR A 77 8.975 8.978 -5.018 1.00 0.00 H new ATOM 0 HA THR A 77 9.593 11.865 -4.660 1.00 0.00 H new ATOM 0 HB THR A 77 11.744 11.007 -3.926 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.863 8.576 -3.936 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.092 9.658 -1.967 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.934 10.987 -2.214 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.506 9.331 -2.704 1.00 0.00 H new ATOM 1196 N GLY A 78 9.628 10.624 -7.380 1.00 0.00 N ATOM 1197 CA GLY A 78 10.019 10.733 -8.775 1.00 0.00 C ATOM 1198 C GLY A 78 11.182 9.791 -9.094 1.00 0.00 C ATOM 1199 O GLY A 78 12.181 10.210 -9.678 1.00 0.00 O ATOM 0 H GLY A 78 8.712 10.203 -7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.169 10.496 -9.414 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.307 11.761 -8.996 1.00 0.00 H new ATOM 1203 N GLU A 79 11.014 8.539 -8.697 1.00 0.00 N ATOM 1204 CA GLU A 79 12.038 7.535 -8.932 1.00 0.00 C ATOM 1205 C GLU A 79 11.403 6.237 -9.437 1.00 0.00 C ATOM 1206 O GLU A 79 10.278 5.909 -9.064 1.00 0.00 O ATOM 1207 CB GLU A 79 12.865 7.288 -7.669 1.00 0.00 C ATOM 1208 CG GLU A 79 14.115 8.168 -7.651 1.00 0.00 C ATOM 1209 CD GLU A 79 15.159 7.659 -8.648 1.00 0.00 C ATOM 1210 OE1 GLU A 79 16.076 6.918 -8.263 1.00 0.00 O ATOM 1211 OE2 GLU A 79 14.993 8.060 -9.862 1.00 0.00 O ATOM 0 H GLU A 79 10.184 8.196 -8.214 1.00 0.00 H new ATOM 0 HA GLU A 79 12.715 7.908 -9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.258 7.494 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.154 6.238 -7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.844 9.195 -7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.541 8.180 -6.648 1.00 0.00 H new ATOM 1219 N LYS A 80 12.152 5.536 -10.274 1.00 0.00 N ATOM 1220 CA LYS A 80 11.677 4.281 -10.832 1.00 0.00 C ATOM 1221 C LYS A 80 12.240 3.118 -10.014 1.00 0.00 C ATOM 1222 O LYS A 80 13.456 2.967 -9.898 1.00 0.00 O ATOM 1223 CB LYS A 80 12.005 4.201 -12.324 1.00 0.00 C ATOM 1224 CG LYS A 80 13.494 3.926 -12.543 1.00 0.00 C ATOM 1225 CD LYS A 80 13.921 4.319 -13.959 1.00 0.00 C ATOM 1226 CE LYS A 80 15.442 4.266 -14.108 1.00 0.00 C ATOM 1227 NZ LYS A 80 15.843 4.639 -15.482 1.00 0.00 N ATOM 0 H LYS A 80 13.085 5.813 -10.580 1.00 0.00 H new ATOM 0 HA LYS A 80 10.591 4.220 -10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.413 3.412 -12.788 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.728 5.136 -12.812 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.082 4.484 -11.814 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.701 2.869 -12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.458 3.647 -14.682 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.565 5.324 -14.184 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.907 4.943 -13.391 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.801 3.263 -13.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.879 4.597 -15.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.415 3.977 -16.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.518 5.605 -15.688 1.00 0.00 H new ATOM 1240 N VAL A 81 11.331 2.325 -9.467 1.00 0.00 N ATOM 1241 CA VAL A 81 11.722 1.179 -8.663 1.00 0.00 C ATOM 1242 C VAL A 81 11.148 -0.094 -9.284 1.00 0.00 C ATOM 1243 O VAL A 81 10.115 -0.053 -9.952 1.00 0.00 O ATOM 1244 CB VAL A 81 11.286 1.387 -7.211 1.00 0.00 C ATOM 1245 CG1 VAL A 81 12.269 2.294 -6.467 1.00 0.00 C ATOM 1246 CG2 VAL A 81 9.863 1.943 -7.139 1.00 0.00 C ATOM 0 H VAL A 81 10.324 2.453 -9.565 1.00 0.00 H new ATOM 0 HA VAL A 81 12.807 1.072 -8.651 1.00 0.00 H new ATOM 0 HB VAL A 81 11.290 0.415 -6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.935 2.425 -5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.259 1.839 -6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.313 3.265 -6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.579 2.081 -6.096 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.820 2.901 -7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.175 1.243 -7.613 1.00 0.00 H new ATOM 1256 N LYS A 82 11.841 -1.197 -9.043 1.00 0.00 N ATOM 1257 CA LYS A 82 11.412 -2.482 -9.571 1.00 0.00 C ATOM 1258 C LYS A 82 10.700 -3.269 -8.467 1.00 0.00 C ATOM 1259 O LYS A 82 11.318 -3.648 -7.474 1.00 0.00 O ATOM 1260 CB LYS A 82 12.593 -3.227 -10.193 1.00 0.00 C ATOM 1261 CG LYS A 82 12.537 -3.164 -11.721 1.00 0.00 C ATOM 1262 CD LYS A 82 13.413 -2.029 -12.256 1.00 0.00 C ATOM 1263 CE LYS A 82 13.821 -2.289 -13.707 1.00 0.00 C ATOM 1264 NZ LYS A 82 12.755 -1.848 -14.633 1.00 0.00 N ATOM 0 H LYS A 82 12.697 -1.228 -8.489 1.00 0.00 H new ATOM 0 HA LYS A 82 10.693 -2.342 -10.378 1.00 0.00 H new ATOM 0 HB2 LYS A 82 13.528 -2.791 -9.841 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.584 -4.267 -9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.870 -4.114 -12.140 1.00 0.00 H new ATOM 0 HG3 LYS A 82 11.507 -3.017 -12.045 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.872 -1.085 -12.190 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.304 -1.929 -11.636 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.747 -1.759 -13.931 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.019 -3.351 -13.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.042 -2.048 -15.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.875 -2.360 -14.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.598 -0.826 -14.520 1.00 0.00 H new ATOM 1277 N THR A 83 9.412 -3.493 -8.681 1.00 0.00 N ATOM 1278 CA THR A 83 8.611 -4.228 -7.719 1.00 0.00 C ATOM 1279 C THR A 83 8.320 -5.639 -8.233 1.00 0.00 C ATOM 1280 O THR A 83 8.256 -5.862 -9.442 1.00 0.00 O ATOM 1281 CB THR A 83 7.347 -3.413 -7.434 1.00 0.00 C ATOM 1282 OG1 THR A 83 7.803 -2.063 -7.411 1.00 0.00 O ATOM 1283 CG2 THR A 83 6.805 -3.648 -6.023 1.00 0.00 C ATOM 0 H THR A 83 8.904 -3.178 -9.507 1.00 0.00 H new ATOM 0 HA THR A 83 9.148 -4.362 -6.780 1.00 0.00 H new ATOM 0 HB THR A 83 6.579 -3.667 -8.164 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.536 -1.642 -6.567 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.909 -3.046 -5.873 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.559 -4.703 -5.899 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.560 -3.363 -5.291 1.00 0.00 H new ATOM 1291 N VAL A 84 8.150 -6.554 -7.291 1.00 0.00 N ATOM 1292 CA VAL A 84 7.867 -7.938 -7.635 1.00 0.00 C ATOM 1293 C VAL A 84 6.848 -8.507 -6.646 1.00 0.00 C ATOM 1294 O VAL A 84 7.001 -8.353 -5.435 1.00 0.00 O ATOM 1295 CB VAL A 84 9.168 -8.742 -7.681 1.00 0.00 C ATOM 1296 CG1 VAL A 84 8.885 -10.245 -7.663 1.00 0.00 C ATOM 1297 CG2 VAL A 84 10.007 -8.357 -8.902 1.00 0.00 C ATOM 0 H VAL A 84 8.203 -6.365 -6.290 1.00 0.00 H new ATOM 0 HA VAL A 84 7.425 -8.002 -8.629 1.00 0.00 H new ATOM 0 HB VAL A 84 9.744 -8.499 -6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.827 -10.793 -7.696 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.347 -10.503 -6.751 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.279 -10.512 -8.529 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.926 -8.943 -8.911 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.440 -8.557 -9.811 1.00 0.00 H new ATOM 0 HG23 VAL A 84 10.253 -7.296 -8.854 1.00 0.00 H new ATOM 1307 N VAL A 85 5.832 -9.153 -7.198 1.00 0.00 N ATOM 1308 CA VAL A 85 4.787 -9.745 -6.379 1.00 0.00 C ATOM 1309 C VAL A 85 4.878 -11.269 -6.469 1.00 0.00 C ATOM 1310 O VAL A 85 4.775 -11.838 -7.556 1.00 0.00 O ATOM 1311 CB VAL A 85 3.420 -9.201 -6.800 1.00 0.00 C ATOM 1312 CG1 VAL A 85 2.291 -10.072 -6.246 1.00 0.00 C ATOM 1313 CG2 VAL A 85 3.253 -7.743 -6.365 1.00 0.00 C ATOM 0 H VAL A 85 5.710 -9.280 -8.203 1.00 0.00 H new ATOM 0 HA VAL A 85 4.921 -9.472 -5.332 1.00 0.00 H new ATOM 0 HB VAL A 85 3.365 -9.234 -7.888 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.330 -9.664 -6.559 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.395 -11.088 -6.626 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.342 -10.085 -5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.273 -7.380 -6.676 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.337 -7.675 -5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.029 -7.134 -6.828 1.00 0.00 H new ATOM 1323 N GLN A 86 5.069 -11.888 -5.314 1.00 0.00 N ATOM 1324 CA GLN A 86 5.175 -13.335 -5.248 1.00 0.00 C ATOM 1325 C GLN A 86 4.035 -13.914 -4.408 1.00 0.00 C ATOM 1326 O GLN A 86 3.516 -13.245 -3.516 1.00 0.00 O ATOM 1327 CB GLN A 86 6.535 -13.762 -4.694 1.00 0.00 C ATOM 1328 CG GLN A 86 7.498 -14.130 -5.824 1.00 0.00 C ATOM 1329 CD GLN A 86 8.214 -15.450 -5.528 1.00 0.00 C ATOM 1330 OE1 GLN A 86 7.693 -16.531 -5.748 1.00 0.00 O ATOM 1331 NE2 GLN A 86 9.433 -15.302 -5.017 1.00 0.00 N ATOM 0 H GLN A 86 5.153 -11.413 -4.415 1.00 0.00 H new ATOM 0 HA GLN A 86 5.092 -13.731 -6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.959 -12.953 -4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.408 -14.615 -4.028 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.949 -14.213 -6.762 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.232 -13.335 -5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.809 -14.367 -4.858 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.992 -16.123 -4.784 1.00 0.00 H new ATOM 1340 N LEU A 87 3.678 -15.151 -4.724 1.00 0.00 N ATOM 1341 CA LEU A 87 2.609 -15.826 -4.008 1.00 0.00 C ATOM 1342 C LEU A 87 3.213 -16.772 -2.970 1.00 0.00 C ATOM 1343 O LEU A 87 4.339 -17.243 -3.134 1.00 0.00 O ATOM 1344 CB LEU A 87 1.661 -16.517 -4.991 1.00 0.00 C ATOM 1345 CG LEU A 87 1.836 -18.030 -5.141 1.00 0.00 C ATOM 1346 CD1 LEU A 87 3.318 -18.409 -5.175 1.00 0.00 C ATOM 1347 CD2 LEU A 87 1.077 -18.781 -4.045 1.00 0.00 C ATOM 0 H LEU A 87 4.110 -15.702 -5.466 1.00 0.00 H new ATOM 0 HA LEU A 87 1.999 -15.104 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.636 -16.319 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.788 -16.058 -5.971 1.00 0.00 H new ATOM 0 HG LEU A 87 1.404 -18.331 -6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.415 -19.489 -5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.800 -17.916 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.796 -18.092 -4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.218 -19.854 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.457 -18.481 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.015 -18.544 -4.110 1.00 0.00 H new ATOM 1359 N GLU A 88 2.440 -17.022 -1.923 1.00 0.00 N ATOM 1360 CA GLU A 88 2.887 -17.903 -0.857 1.00 0.00 C ATOM 1361 C GLU A 88 1.695 -18.641 -0.245 1.00 0.00 C ATOM 1362 O GLU A 88 0.564 -18.158 -0.304 1.00 0.00 O ATOM 1363 CB GLU A 88 3.658 -17.126 0.211 1.00 0.00 C ATOM 1364 CG GLU A 88 5.028 -17.755 0.466 1.00 0.00 C ATOM 1365 CD GLU A 88 5.403 -17.673 1.948 1.00 0.00 C ATOM 1366 OE1 GLU A 88 4.661 -18.178 2.804 1.00 0.00 O ATOM 1367 OE2 GLU A 88 6.510 -17.058 2.197 1.00 0.00 O ATOM 0 H GLU A 88 1.508 -16.630 -1.790 1.00 0.00 H new ATOM 0 HA GLU A 88 3.567 -18.641 -1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.783 -16.091 -0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.084 -17.108 1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.019 -18.797 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.783 -17.245 -0.132 1.00 0.00 H new ATOM 1375 N GLY A 89 1.987 -19.798 0.331 1.00 0.00 N ATOM 1376 CA GLY A 89 0.953 -20.607 0.954 1.00 0.00 C ATOM 1377 C GLY A 89 -0.197 -20.872 -0.020 1.00 0.00 C ATOM 1378 O GLY A 89 -0.192 -21.873 -0.734 1.00 0.00 O ATOM 0 H GLY A 89 2.925 -20.195 0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.378 -21.554 1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.574 -20.099 1.841 1.00 0.00 H new ATOM 1382 N ASP A 90 -1.155 -19.956 -0.017 1.00 0.00 N ATOM 1383 CA ASP A 90 -2.309 -20.077 -0.892 1.00 0.00 C ATOM 1384 C ASP A 90 -3.043 -18.737 -0.949 1.00 0.00 C ATOM 1385 O ASP A 90 -3.455 -18.297 -2.022 1.00 0.00 O ATOM 1386 CB ASP A 90 -3.288 -21.131 -0.368 1.00 0.00 C ATOM 1387 CG ASP A 90 -4.252 -21.694 -1.414 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -3.831 -22.300 -2.411 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -5.502 -21.486 -1.170 1.00 0.00 O ATOM 0 H ASP A 90 -1.156 -19.127 0.577 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.955 -20.372 -1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.717 -21.955 0.059 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.870 -20.693 0.443 1.00 0.00 H new ATOM 1395 N ASN A 91 -3.185 -18.125 0.217 1.00 0.00 N ATOM 1396 CA ASN A 91 -3.863 -16.843 0.312 1.00 0.00 C ATOM 1397 C ASN A 91 -2.895 -15.801 0.876 1.00 0.00 C ATOM 1398 O ASN A 91 -3.311 -14.871 1.564 1.00 0.00 O ATOM 1399 CB ASN A 91 -5.068 -16.927 1.251 1.00 0.00 C ATOM 1400 CG ASN A 91 -6.312 -16.318 0.601 1.00 0.00 C ATOM 1401 OD1 ASN A 91 -6.497 -15.112 0.561 1.00 0.00 O ATOM 1402 ND2 ASN A 91 -7.153 -17.216 0.097 1.00 0.00 N ATOM 0 H ASN A 91 -2.842 -18.493 1.104 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.202 -16.564 -0.686 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.261 -17.968 1.509 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.846 -16.404 2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.014 -16.910 -0.357 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.937 -18.211 0.164 1.00 0.00 H new ATOM 1409 N LYS A 92 -1.622 -15.991 0.563 1.00 0.00 N ATOM 1410 CA LYS A 92 -0.592 -15.079 1.029 1.00 0.00 C ATOM 1411 C LYS A 92 0.183 -14.533 -0.172 1.00 0.00 C ATOM 1412 O LYS A 92 0.484 -15.272 -1.108 1.00 0.00 O ATOM 1413 CB LYS A 92 0.294 -15.760 2.074 1.00 0.00 C ATOM 1414 CG LYS A 92 1.422 -14.830 2.527 1.00 0.00 C ATOM 1415 CD LYS A 92 2.272 -15.489 3.616 1.00 0.00 C ATOM 1416 CE LYS A 92 3.679 -14.889 3.651 1.00 0.00 C ATOM 1417 NZ LYS A 92 3.937 -14.250 4.961 1.00 0.00 N ATOM 0 H LYS A 92 -1.280 -16.764 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.042 -14.224 1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.310 -16.051 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.717 -16.674 1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.051 -14.574 1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.001 -13.898 2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.792 -15.358 4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.335 -16.562 3.434 1.00 0.00 H new ATOM 0 HE2 LYS A 92 4.418 -15.669 3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.787 -14.154 2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.896 -13.848 4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.243 -13.492 5.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.854 -14.960 5.716 1.00 0.00 H new ATOM 1430 N LEU A 93 0.482 -13.245 -0.107 1.00 0.00 N ATOM 1431 CA LEU A 93 1.215 -12.591 -1.178 1.00 0.00 C ATOM 1432 C LEU A 93 2.462 -11.919 -0.600 1.00 0.00 C ATOM 1433 O LEU A 93 2.396 -11.271 0.442 1.00 0.00 O ATOM 1434 CB LEU A 93 0.302 -11.634 -1.946 1.00 0.00 C ATOM 1435 CG LEU A 93 -0.418 -12.224 -3.161 1.00 0.00 C ATOM 1436 CD1 LEU A 93 -1.889 -12.500 -2.847 1.00 0.00 C ATOM 1437 CD2 LEU A 93 -0.253 -11.321 -4.387 1.00 0.00 C ATOM 0 H LEU A 93 0.230 -12.636 0.671 1.00 0.00 H new ATOM 0 HA LEU A 93 1.556 -13.324 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.448 -11.247 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.897 -10.784 -2.279 1.00 0.00 H new ATOM 0 HG LEU A 93 0.044 -13.182 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.377 -12.919 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.958 -13.209 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.382 -11.569 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.774 -11.762 -5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.674 -10.338 -4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.806 -11.219 -4.624 1.00 0.00 H new ATOM 1449 N VAL A 94 3.571 -12.099 -1.303 1.00 0.00 N ATOM 1450 CA VAL A 94 4.831 -11.520 -0.874 1.00 0.00 C ATOM 1451 C VAL A 94 5.356 -10.584 -1.965 1.00 0.00 C ATOM 1452 O VAL A 94 5.655 -11.023 -3.073 1.00 0.00 O ATOM 1453 CB VAL A 94 5.822 -12.628 -0.511 1.00 0.00 C ATOM 1454 CG1 VAL A 94 7.060 -12.053 0.181 1.00 0.00 C ATOM 1455 CG2 VAL A 94 5.155 -13.697 0.357 1.00 0.00 C ATOM 0 H VAL A 94 3.622 -12.638 -2.167 1.00 0.00 H new ATOM 0 HA VAL A 94 4.688 -10.923 0.027 1.00 0.00 H new ATOM 0 HB VAL A 94 6.147 -13.103 -1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.747 -12.862 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.555 -11.347 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.761 -11.540 1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.881 -14.473 0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.788 -13.242 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.321 -14.139 -0.187 1.00 0.00 H new ATOM 1465 N THR A 95 5.451 -9.310 -1.612 1.00 0.00 N ATOM 1466 CA THR A 95 5.933 -8.309 -2.547 1.00 0.00 C ATOM 1467 C THR A 95 6.950 -7.389 -1.867 1.00 0.00 C ATOM 1468 O THR A 95 6.847 -7.120 -0.671 1.00 0.00 O ATOM 1469 CB THR A 95 4.721 -7.563 -3.109 1.00 0.00 C ATOM 1470 OG1 THR A 95 5.127 -6.197 -3.119 1.00 0.00 O ATOM 1471 CG2 THR A 95 3.524 -7.589 -2.156 1.00 0.00 C ATOM 0 H THR A 95 5.202 -8.949 -0.691 1.00 0.00 H new ATOM 0 HA THR A 95 6.464 -8.770 -3.380 1.00 0.00 H new ATOM 0 HB THR A 95 4.435 -8.004 -4.064 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.400 -5.642 -3.471 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.691 -7.046 -2.603 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.227 -8.622 -1.973 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.800 -7.118 -1.212 1.00 0.00 H new ATOM 1479 N THR A 96 7.909 -6.932 -2.658 1.00 0.00 N ATOM 1480 CA THR A 96 8.943 -6.048 -2.148 1.00 0.00 C ATOM 1481 C THR A 96 9.007 -4.765 -2.978 1.00 0.00 C ATOM 1482 O THR A 96 8.588 -4.749 -4.135 1.00 0.00 O ATOM 1483 CB THR A 96 10.261 -6.826 -2.127 1.00 0.00 C ATOM 1484 OG1 THR A 96 9.872 -8.162 -1.821 1.00 0.00 O ATOM 1485 CG2 THR A 96 11.161 -6.423 -0.958 1.00 0.00 C ATOM 0 H THR A 96 7.992 -7.157 -3.649 1.00 0.00 H new ATOM 0 HA THR A 96 8.722 -5.727 -1.130 1.00 0.00 H new ATOM 0 HB THR A 96 10.791 -6.665 -3.065 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.666 -8.735 -1.789 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.082 -7.005 -0.991 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.399 -5.362 -1.031 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.644 -6.615 -0.018 1.00 0.00 H new ATOM 1493 N PHE A 97 9.534 -3.721 -2.356 1.00 0.00 N ATOM 1494 CA PHE A 97 9.658 -2.437 -3.024 1.00 0.00 C ATOM 1495 C PHE A 97 10.955 -1.732 -2.619 1.00 0.00 C ATOM 1496 O PHE A 97 11.111 -1.324 -1.469 1.00 0.00 O ATOM 1497 CB PHE A 97 8.469 -1.585 -2.578 1.00 0.00 C ATOM 1498 CG PHE A 97 7.497 -1.234 -3.708 1.00 0.00 C ATOM 1499 CD1 PHE A 97 7.902 -0.435 -4.730 1.00 0.00 C ATOM 1500 CD2 PHE A 97 6.227 -1.724 -3.688 1.00 0.00 C ATOM 1501 CE1 PHE A 97 7.000 -0.110 -5.778 1.00 0.00 C ATOM 1502 CE2 PHE A 97 5.325 -1.400 -4.736 1.00 0.00 C ATOM 1503 CZ PHE A 97 5.731 -0.599 -5.759 1.00 0.00 C ATOM 0 H PHE A 97 9.880 -3.738 -1.397 1.00 0.00 H new ATOM 0 HA PHE A 97 9.675 -2.579 -4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 97 7.926 -2.118 -1.797 1.00 0.00 H new ATOM 0 HB3 PHE A 97 8.842 -0.662 -2.134 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.910 -0.047 -4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.906 -2.359 -2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.322 0.525 -6.590 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.318 -1.789 -4.721 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.045 -0.352 -6.556 1.00 0.00 H new ATOM 1513 N LYS A 98 11.851 -1.609 -3.587 1.00 0.00 N ATOM 1514 CA LYS A 98 13.128 -0.960 -3.346 1.00 0.00 C ATOM 1515 C LYS A 98 13.870 -1.701 -2.233 1.00 0.00 C ATOM 1516 O LYS A 98 13.872 -2.931 -2.195 1.00 0.00 O ATOM 1517 CB LYS A 98 12.927 0.531 -3.066 1.00 0.00 C ATOM 1518 CG LYS A 98 14.152 1.339 -3.497 1.00 0.00 C ATOM 1519 CD LYS A 98 14.650 2.231 -2.356 1.00 0.00 C ATOM 1520 CE LYS A 98 14.446 3.710 -2.689 1.00 0.00 C ATOM 1521 NZ LYS A 98 14.746 4.552 -1.510 1.00 0.00 N ATOM 0 H LYS A 98 11.718 -1.948 -4.540 1.00 0.00 H new ATOM 0 HA LYS A 98 13.755 -1.011 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.045 0.889 -3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.742 0.683 -2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.948 0.662 -3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.901 1.954 -4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.117 1.984 -1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 98 15.707 2.038 -2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.091 3.994 -3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 98 13.418 3.878 -3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.603 5.553 -1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 14.113 4.291 -0.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.734 4.404 -1.220 1.00 0.00 H new ATOM 1534 N ASN A 99 14.482 -0.923 -1.354 1.00 0.00 N ATOM 1535 CA ASN A 99 15.227 -1.490 -0.242 1.00 0.00 C ATOM 1536 C ASN A 99 14.279 -1.716 0.938 1.00 0.00 C ATOM 1537 O ASN A 99 14.725 -1.936 2.064 1.00 0.00 O ATOM 1538 CB ASN A 99 16.337 -0.544 0.217 1.00 0.00 C ATOM 1539 CG ASN A 99 17.717 -1.131 -0.085 1.00 0.00 C ATOM 1540 OD1 ASN A 99 17.901 -1.911 -1.005 1.00 0.00 O ATOM 1541 ND2 ASN A 99 18.675 -0.713 0.738 1.00 0.00 N ATOM 0 H ASN A 99 14.478 0.096 -1.389 1.00 0.00 H new ATOM 0 HA ASN A 99 15.669 -2.429 -0.576 1.00 0.00 H new ATOM 0 HB2 ASN A 99 16.230 0.418 -0.284 1.00 0.00 H new ATOM 0 HB3 ASN A 99 16.243 -0.359 1.287 1.00 0.00 H new ATOM 0 HD21 ASN A 99 19.631 -1.047 0.619 1.00 0.00 H new ATOM 0 HD22 ASN A 99 18.453 -0.059 1.488 1.00 0.00 H new ATOM 1548 N ILE A 100 12.989 -1.652 0.641 1.00 0.00 N ATOM 1549 CA ILE A 100 11.975 -1.847 1.663 1.00 0.00 C ATOM 1550 C ILE A 100 11.423 -3.271 1.563 1.00 0.00 C ATOM 1551 O ILE A 100 11.137 -3.753 0.469 1.00 0.00 O ATOM 1552 CB ILE A 100 10.901 -0.762 1.565 1.00 0.00 C ATOM 1553 CG1 ILE A 100 11.532 0.628 1.474 1.00 0.00 C ATOM 1554 CG2 ILE A 100 9.908 -0.867 2.724 1.00 0.00 C ATOM 1555 CD1 ILE A 100 10.906 1.442 0.339 1.00 0.00 C ATOM 0 H ILE A 100 12.623 -1.468 -0.293 1.00 0.00 H new ATOM 0 HA ILE A 100 12.410 -1.743 2.657 1.00 0.00 H new ATOM 0 HB ILE A 100 10.339 -0.920 0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 100 11.399 1.154 2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 100 12.605 0.534 1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.155 -0.084 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.422 -1.842 2.700 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.438 -0.749 3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 100 11.373 2.426 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 100 11.062 0.925 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.837 1.555 0.519 1.00 0.00 H new ATOM 1567 N LYS A 101 11.291 -3.902 2.721 1.00 0.00 N ATOM 1568 CA LYS A 101 10.778 -5.261 2.777 1.00 0.00 C ATOM 1569 C LYS A 101 9.369 -5.245 3.374 1.00 0.00 C ATOM 1570 O LYS A 101 9.178 -4.822 4.513 1.00 0.00 O ATOM 1571 CB LYS A 101 11.753 -6.170 3.527 1.00 0.00 C ATOM 1572 CG LYS A 101 11.800 -5.816 5.016 1.00 0.00 C ATOM 1573 CD LYS A 101 13.239 -5.817 5.534 1.00 0.00 C ATOM 1574 CE LYS A 101 13.500 -7.034 6.423 1.00 0.00 C ATOM 1575 NZ LYS A 101 14.871 -7.550 6.206 1.00 0.00 N ATOM 0 H LYS A 101 11.530 -3.498 3.627 1.00 0.00 H new ATOM 0 HA LYS A 101 10.695 -5.679 1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.451 -7.210 3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.749 -6.075 3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.353 -4.834 5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.205 -6.532 5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.932 -5.821 4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.427 -4.903 6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.369 -6.762 7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.772 -7.815 6.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.032 -8.376 6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.983 -7.829 5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.562 -6.808 6.438 1.00 0.00 H new ATOM 1588 N SER A 102 8.419 -5.711 2.577 1.00 0.00 N ATOM 1589 CA SER A 102 7.034 -5.756 3.012 1.00 0.00 C ATOM 1590 C SER A 102 6.521 -7.197 2.978 1.00 0.00 C ATOM 1591 O SER A 102 7.049 -8.031 2.244 1.00 0.00 O ATOM 1592 CB SER A 102 6.152 -4.859 2.140 1.00 0.00 C ATOM 1593 OG SER A 102 5.859 -5.460 0.881 1.00 0.00 O ATOM 0 H SER A 102 8.581 -6.061 1.633 1.00 0.00 H new ATOM 0 HA SER A 102 6.986 -5.383 4.035 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.221 -4.645 2.665 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.653 -3.905 1.978 1.00 0.00 H new ATOM 0 HG SER A 102 6.607 -6.031 0.609 1.00 0.00 H new ATOM 1599 N VAL A 103 5.497 -7.447 3.782 1.00 0.00 N ATOM 1600 CA VAL A 103 4.907 -8.772 3.852 1.00 0.00 C ATOM 1601 C VAL A 103 3.383 -8.653 3.781 1.00 0.00 C ATOM 1602 O VAL A 103 2.769 -7.989 4.615 1.00 0.00 O ATOM 1603 CB VAL A 103 5.391 -9.493 5.113 1.00 0.00 C ATOM 1604 CG1 VAL A 103 4.574 -10.761 5.366 1.00 0.00 C ATOM 1605 CG2 VAL A 103 6.884 -9.813 5.022 1.00 0.00 C ATOM 0 H VAL A 103 5.062 -6.754 4.390 1.00 0.00 H new ATOM 0 HA VAL A 103 5.225 -9.377 3.003 1.00 0.00 H new ATOM 0 HB VAL A 103 5.243 -8.823 5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.938 -11.254 6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.524 -10.498 5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.677 -11.436 4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.202 -10.325 5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.067 -10.455 4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.448 -8.887 4.910 1.00 0.00 H new ATOM 1615 N THR A 104 2.817 -9.305 2.776 1.00 0.00 N ATOM 1616 CA THR A 104 1.377 -9.280 2.584 1.00 0.00 C ATOM 1617 C THR A 104 0.759 -10.613 3.009 1.00 0.00 C ATOM 1618 O THR A 104 1.315 -11.675 2.733 1.00 0.00 O ATOM 1619 CB THR A 104 1.101 -8.921 1.122 1.00 0.00 C ATOM 1620 OG1 THR A 104 2.332 -8.370 0.662 1.00 0.00 O ATOM 1621 CG2 THR A 104 0.102 -7.772 0.980 1.00 0.00 C ATOM 0 H THR A 104 3.330 -9.854 2.086 1.00 0.00 H new ATOM 0 HA THR A 104 0.907 -8.524 3.214 1.00 0.00 H new ATOM 0 HB THR A 104 0.721 -9.798 0.598 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.896 -9.086 0.301 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.058 -7.558 -0.077 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.845 -8.054 1.441 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.496 -6.884 1.475 1.00 0.00 H new ATOM 1629 N GLU A 105 -0.382 -10.514 3.675 1.00 0.00 N ATOM 1630 CA GLU A 105 -1.082 -11.699 4.142 1.00 0.00 C ATOM 1631 C GLU A 105 -2.595 -11.483 4.075 1.00 0.00 C ATOM 1632 O GLU A 105 -3.087 -10.403 4.400 1.00 0.00 O ATOM 1633 CB GLU A 105 -0.644 -12.071 5.560 1.00 0.00 C ATOM 1634 CG GLU A 105 -0.937 -13.544 5.855 1.00 0.00 C ATOM 1635 CD GLU A 105 -0.412 -13.941 7.237 1.00 0.00 C ATOM 1636 OE1 GLU A 105 -1.162 -13.891 8.222 1.00 0.00 O ATOM 1637 OE2 GLU A 105 0.823 -14.313 7.264 1.00 0.00 O ATOM 0 H GLU A 105 -0.839 -9.631 3.903 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.824 -12.531 3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.422 -11.878 5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -1.164 -11.441 6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.011 -13.722 5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -0.474 -14.170 5.092 1.00 0.00 H new ATOM 1645 N LEU A 106 -3.291 -12.527 3.650 1.00 0.00 N ATOM 1646 CA LEU A 106 -4.739 -12.466 3.535 1.00 0.00 C ATOM 1647 C LEU A 106 -5.371 -13.178 4.733 1.00 0.00 C ATOM 1648 O LEU A 106 -5.154 -14.371 4.936 1.00 0.00 O ATOM 1649 CB LEU A 106 -5.192 -13.016 2.183 1.00 0.00 C ATOM 1650 CG LEU A 106 -6.514 -12.466 1.643 1.00 0.00 C ATOM 1651 CD1 LEU A 106 -7.707 -13.162 2.300 1.00 0.00 C ATOM 1652 CD2 LEU A 106 -6.579 -10.945 1.802 1.00 0.00 C ATOM 0 H LEU A 106 -2.879 -13.421 3.381 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.081 -11.431 3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.411 -12.813 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.279 -14.099 2.265 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.564 -12.682 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.634 -12.752 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.663 -14.231 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.675 -12.999 3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.528 -10.579 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.497 -10.686 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.758 -10.486 1.251 1.00 0.00 H new ATOM 1664 N ASN A 107 -6.140 -12.414 5.495 1.00 0.00 N ATOM 1665 CA ASN A 107 -6.806 -12.957 6.667 1.00 0.00 C ATOM 1666 C ASN A 107 -8.216 -12.370 6.766 1.00 0.00 C ATOM 1667 O ASN A 107 -8.377 -11.174 7.007 1.00 0.00 O ATOM 1668 CB ASN A 107 -6.051 -12.593 7.947 1.00 0.00 C ATOM 1669 CG ASN A 107 -5.214 -13.774 8.443 1.00 0.00 C ATOM 1670 OD1 ASN A 107 -5.139 -14.820 7.822 1.00 0.00 O ATOM 1671 ND2 ASN A 107 -4.590 -13.547 9.596 1.00 0.00 N ATOM 0 H ASN A 107 -6.317 -11.424 5.324 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.839 -14.042 6.564 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.403 -11.736 7.761 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.760 -12.295 8.720 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -4.006 -14.273 10.011 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -4.696 -12.647 10.065 1.00 0.00 H new ATOM 1678 N GLY A 108 -9.199 -13.237 6.575 1.00 0.00 N ATOM 1679 CA GLY A 108 -10.588 -12.818 6.639 1.00 0.00 C ATOM 1680 C GLY A 108 -10.805 -11.515 5.867 1.00 0.00 C ATOM 1681 O GLY A 108 -10.501 -11.435 4.678 1.00 0.00 O ATOM 0 H GLY A 108 -9.061 -14.228 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.226 -13.599 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -10.883 -12.682 7.680 1.00 0.00 H new ATOM 1685 N ASP A 109 -11.329 -10.526 6.576 1.00 0.00 N ATOM 1686 CA ASP A 109 -11.590 -9.229 5.973 1.00 0.00 C ATOM 1687 C ASP A 109 -10.529 -8.231 6.441 1.00 0.00 C ATOM 1688 O ASP A 109 -10.695 -7.023 6.279 1.00 0.00 O ATOM 1689 CB ASP A 109 -12.961 -8.694 6.391 1.00 0.00 C ATOM 1690 CG ASP A 109 -14.131 -9.650 6.149 1.00 0.00 C ATOM 1691 OD1 ASP A 109 -14.847 -9.539 5.143 1.00 0.00 O ATOM 1692 OD2 ASP A 109 -14.295 -10.550 7.057 1.00 0.00 O ATOM 0 H ASP A 109 -11.580 -10.596 7.562 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.565 -9.349 4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.929 -8.445 7.452 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.152 -7.766 5.851 1.00 0.00 H new ATOM 1698 N ILE A 110 -9.464 -8.773 7.011 1.00 0.00 N ATOM 1699 CA ILE A 110 -8.376 -7.945 7.504 1.00 0.00 C ATOM 1700 C ILE A 110 -7.128 -8.191 6.653 1.00 0.00 C ATOM 1701 O ILE A 110 -6.956 -9.273 6.095 1.00 0.00 O ATOM 1702 CB ILE A 110 -8.156 -8.183 9.000 1.00 0.00 C ATOM 1703 CG1 ILE A 110 -9.405 -7.812 9.803 1.00 0.00 C ATOM 1704 CG2 ILE A 110 -6.914 -7.441 9.496 1.00 0.00 C ATOM 1705 CD1 ILE A 110 -10.189 -9.063 10.203 1.00 0.00 C ATOM 0 H ILE A 110 -9.331 -9.776 7.143 1.00 0.00 H new ATOM 0 HA ILE A 110 -8.627 -6.889 7.406 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.978 -9.247 9.155 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.117 -7.258 10.696 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -10.041 -7.154 9.211 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.781 -7.627 10.562 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.038 -7.795 8.953 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -7.038 -6.371 9.327 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -11.072 -8.773 10.773 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.496 -9.602 9.307 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.558 -9.707 10.815 1.00 0.00 H new ATOM 1717 N ILE A 111 -6.291 -7.167 6.579 1.00 0.00 N ATOM 1718 CA ILE A 111 -5.064 -7.257 5.806 1.00 0.00 C ATOM 1719 C ILE A 111 -3.884 -6.820 6.675 1.00 0.00 C ATOM 1720 O ILE A 111 -3.898 -5.731 7.246 1.00 0.00 O ATOM 1721 CB ILE A 111 -5.193 -6.465 4.503 1.00 0.00 C ATOM 1722 CG1 ILE A 111 -6.347 -6.998 3.649 1.00 0.00 C ATOM 1723 CG2 ILE A 111 -3.870 -6.454 3.734 1.00 0.00 C ATOM 1724 CD1 ILE A 111 -5.939 -8.274 2.912 1.00 0.00 C ATOM 0 H ILE A 111 -6.438 -6.270 7.042 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.877 -8.289 5.509 1.00 0.00 H new ATOM 0 HB ILE A 111 -5.428 -5.431 4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.210 -7.200 4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.652 -6.239 2.928 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.990 -5.885 2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.096 -5.993 4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.580 -7.477 3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.776 -8.632 2.313 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.091 -8.063 2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.658 -9.039 3.636 1.00 0.00 H new ATOM 1736 N THR A 112 -2.890 -7.693 6.750 1.00 0.00 N ATOM 1737 CA THR A 112 -1.704 -7.412 7.540 1.00 0.00 C ATOM 1738 C THR A 112 -0.535 -7.028 6.630 1.00 0.00 C ATOM 1739 O THR A 112 -0.038 -7.856 5.869 1.00 0.00 O ATOM 1740 CB THR A 112 -1.418 -8.634 8.415 1.00 0.00 C ATOM 1741 OG1 THR A 112 -2.557 -8.726 9.266 1.00 0.00 O ATOM 1742 CG2 THR A 112 -0.251 -8.405 9.377 1.00 0.00 C ATOM 0 H THR A 112 -2.882 -8.596 6.276 1.00 0.00 H new ATOM 0 HA THR A 112 -1.859 -6.555 8.195 1.00 0.00 H new ATOM 0 HB THR A 112 -1.201 -9.493 7.779 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.456 -9.494 9.866 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.090 -9.303 9.974 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.651 -8.181 8.808 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.481 -7.567 10.036 1.00 0.00 H new ATOM 1750 N ASN A 113 -0.129 -5.772 6.741 1.00 0.00 N ATOM 1751 CA ASN A 113 0.972 -5.268 5.937 1.00 0.00 C ATOM 1752 C ASN A 113 1.982 -4.566 6.847 1.00 0.00 C ATOM 1753 O ASN A 113 1.600 -3.779 7.713 1.00 0.00 O ATOM 1754 CB ASN A 113 0.482 -4.254 4.903 1.00 0.00 C ATOM 1755 CG ASN A 113 1.216 -4.427 3.572 1.00 0.00 C ATOM 1756 OD1 ASN A 113 1.669 -5.503 3.219 1.00 0.00 O ATOM 1757 ND2 ASN A 113 1.310 -3.311 2.856 1.00 0.00 N ATOM 0 H ASN A 113 -0.542 -5.088 7.375 1.00 0.00 H new ATOM 0 HA ASN A 113 1.428 -6.114 5.422 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -0.590 -4.376 4.749 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.637 -3.243 5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.784 -3.323 1.953 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.908 -2.443 3.210 1.00 0.00 H new ATOM 1764 N THR A 114 3.250 -4.873 6.620 1.00 0.00 N ATOM 1765 CA THR A 114 4.316 -4.280 7.408 1.00 0.00 C ATOM 1766 C THR A 114 5.238 -3.445 6.517 1.00 0.00 C ATOM 1767 O THR A 114 5.350 -3.704 5.320 1.00 0.00 O ATOM 1768 CB THR A 114 5.043 -5.409 8.144 1.00 0.00 C ATOM 1769 OG1 THR A 114 4.029 -6.383 8.374 1.00 0.00 O ATOM 1770 CG2 THR A 114 5.490 -4.998 9.549 1.00 0.00 C ATOM 0 H THR A 114 3.563 -5.525 5.901 1.00 0.00 H new ATOM 0 HA THR A 114 3.920 -3.588 8.151 1.00 0.00 H new ATOM 0 HB THR A 114 5.911 -5.722 7.563 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.414 -7.151 8.846 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.000 -5.834 10.028 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.170 -4.149 9.481 1.00 0.00 H new ATOM 0 HG23 THR A 114 4.618 -4.718 10.141 1.00 0.00 H new ATOM 1778 N MET A 115 5.872 -2.460 7.135 1.00 0.00 N ATOM 1779 CA MET A 115 6.779 -1.584 6.413 1.00 0.00 C ATOM 1780 C MET A 115 7.951 -1.158 7.299 1.00 0.00 C ATOM 1781 O MET A 115 7.750 -0.705 8.425 1.00 0.00 O ATOM 1782 CB MET A 115 6.021 -0.343 5.937 1.00 0.00 C ATOM 1783 CG MET A 115 6.067 -0.223 4.413 1.00 0.00 C ATOM 1784 SD MET A 115 4.570 -0.889 3.702 1.00 0.00 S ATOM 1785 CE MET A 115 4.190 0.395 2.522 1.00 0.00 C ATOM 0 H MET A 115 5.776 -2.249 8.128 1.00 0.00 H new ATOM 0 HA MET A 115 7.175 -2.129 5.556 1.00 0.00 H new ATOM 0 HB2 MET A 115 4.984 -0.396 6.270 1.00 0.00 H new ATOM 0 HB3 MET A 115 6.456 0.549 6.389 1.00 0.00 H new ATOM 0 HG2 MET A 115 6.182 0.822 4.126 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.933 -0.758 4.024 1.00 0.00 H new ATOM 0 HE1 MET A 115 3.277 0.138 1.986 1.00 0.00 H new ATOM 0 HE2 MET A 115 4.049 1.340 3.046 1.00 0.00 H new ATOM 0 HE3 MET A 115 5.012 0.492 1.813 1.00 0.00 H new ATOM 1795 N THR A 116 9.150 -1.318 6.757 1.00 0.00 N ATOM 1796 CA THR A 116 10.354 -0.956 7.484 1.00 0.00 C ATOM 1797 C THR A 116 11.324 -0.206 6.569 1.00 0.00 C ATOM 1798 O THR A 116 11.693 -0.705 5.507 1.00 0.00 O ATOM 1799 CB THR A 116 10.948 -2.232 8.082 1.00 0.00 C ATOM 1800 OG1 THR A 116 12.261 -1.851 8.483 1.00 0.00 O ATOM 1801 CG2 THR A 116 11.180 -3.320 7.031 1.00 0.00 C ATOM 0 H THR A 116 9.313 -1.694 5.823 1.00 0.00 H new ATOM 0 HA THR A 116 10.131 -0.270 8.301 1.00 0.00 H new ATOM 0 HB THR A 116 10.282 -2.612 8.857 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.717 -2.621 8.883 1.00 0.00 H new ATOM 0 HG21 THR A 116 11.603 -4.204 7.509 1.00 0.00 H new ATOM 0 HG22 THR A 116 10.231 -3.580 6.561 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.871 -2.952 6.273 1.00 0.00 H new ATOM 1809 N LEU A 117 11.710 0.980 7.014 1.00 0.00 N ATOM 1810 CA LEU A 117 12.631 1.804 6.249 1.00 0.00 C ATOM 1811 C LEU A 117 13.772 2.266 7.157 1.00 0.00 C ATOM 1812 O LEU A 117 13.552 3.026 8.098 1.00 0.00 O ATOM 1813 CB LEU A 117 11.882 2.953 5.569 1.00 0.00 C ATOM 1814 CG LEU A 117 12.745 4.121 5.085 1.00 0.00 C ATOM 1815 CD1 LEU A 117 12.749 4.203 3.557 1.00 0.00 C ATOM 1816 CD2 LEU A 117 12.297 5.436 5.728 1.00 0.00 C ATOM 0 H LEU A 117 11.402 1.391 7.895 1.00 0.00 H new ATOM 0 HA LEU A 117 13.081 1.225 5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.337 2.551 4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.139 3.340 6.267 1.00 0.00 H new ATOM 0 HG LEU A 117 13.773 3.941 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 117 13.369 5.041 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 117 13.150 3.277 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.730 4.349 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.926 6.250 5.368 1.00 0.00 H new ATOM 0 HD22 LEU A 117 11.259 5.635 5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 117 12.387 5.360 6.812 1.00 0.00 H new ATOM 1828 N GLY A 118 14.966 1.787 6.842 1.00 0.00 N ATOM 1829 CA GLY A 118 16.142 2.141 7.618 1.00 0.00 C ATOM 1830 C GLY A 118 15.957 1.775 9.092 1.00 0.00 C ATOM 1831 O GLY A 118 16.349 0.690 9.520 1.00 0.00 O ATOM 0 H GLY A 118 15.144 1.157 6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 118 17.015 1.625 7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 118 16.334 3.210 7.526 1.00 0.00 H new ATOM 1835 N ASP A 119 15.361 2.702 9.829 1.00 0.00 N ATOM 1836 CA ASP A 119 15.119 2.489 11.246 1.00 0.00 C ATOM 1837 C ASP A 119 13.705 2.960 11.593 1.00 0.00 C ATOM 1838 O ASP A 119 13.445 3.375 12.722 1.00 0.00 O ATOM 1839 CB ASP A 119 16.106 3.289 12.099 1.00 0.00 C ATOM 1840 CG ASP A 119 16.000 3.050 13.606 1.00 0.00 C ATOM 1841 OD1 ASP A 119 15.425 2.047 14.055 1.00 0.00 O ATOM 1842 OD2 ASP A 119 16.546 3.957 14.341 1.00 0.00 O ATOM 0 H ASP A 119 15.039 3.601 9.471 1.00 0.00 H new ATOM 0 HA ASP A 119 15.241 1.426 11.454 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.119 3.047 11.778 1.00 0.00 H new ATOM 0 HB3 ASP A 119 15.955 4.351 11.903 1.00 0.00 H new ATOM 1848 N ILE A 120 12.829 2.882 10.603 1.00 0.00 N ATOM 1849 CA ILE A 120 11.449 3.294 10.790 1.00 0.00 C ATOM 1850 C ILE A 120 10.519 2.156 10.364 1.00 0.00 C ATOM 1851 O ILE A 120 10.541 1.731 9.210 1.00 0.00 O ATOM 1852 CB ILE A 120 11.180 4.613 10.062 1.00 0.00 C ATOM 1853 CG1 ILE A 120 11.787 5.793 10.822 1.00 0.00 C ATOM 1854 CG2 ILE A 120 9.684 4.804 9.807 1.00 0.00 C ATOM 1855 CD1 ILE A 120 10.938 6.154 12.042 1.00 0.00 C ATOM 0 H ILE A 120 13.048 2.539 9.668 1.00 0.00 H new ATOM 0 HA ILE A 120 11.250 3.491 11.843 1.00 0.00 H new ATOM 0 HB ILE A 120 11.669 4.571 9.089 1.00 0.00 H new ATOM 0 HG12 ILE A 120 12.799 5.543 11.140 1.00 0.00 H new ATOM 0 HG13 ILE A 120 11.864 6.656 10.160 1.00 0.00 H new ATOM 0 HG21 ILE A 120 9.521 5.749 9.289 1.00 0.00 H new ATOM 0 HG22 ILE A 120 9.312 3.984 9.193 1.00 0.00 H new ATOM 0 HG23 ILE A 120 9.151 4.815 10.758 1.00 0.00 H new ATOM 0 HD11 ILE A 120 11.392 6.996 12.565 1.00 0.00 H new ATOM 0 HD12 ILE A 120 9.933 6.426 11.718 1.00 0.00 H new ATOM 0 HD13 ILE A 120 10.883 5.297 12.713 1.00 0.00 H new ATOM 1867 N VAL A 121 9.724 1.696 11.319 1.00 0.00 N ATOM 1868 CA VAL A 121 8.787 0.616 11.057 1.00 0.00 C ATOM 1869 C VAL A 121 7.359 1.120 11.276 1.00 0.00 C ATOM 1870 O VAL A 121 7.069 1.750 12.292 1.00 0.00 O ATOM 1871 CB VAL A 121 9.132 -0.597 11.924 1.00 0.00 C ATOM 1872 CG1 VAL A 121 8.798 -0.334 13.394 1.00 0.00 C ATOM 1873 CG2 VAL A 121 8.423 -1.853 11.417 1.00 0.00 C ATOM 0 H VAL A 121 9.709 2.051 12.275 1.00 0.00 H new ATOM 0 HA VAL A 121 8.861 0.290 10.020 1.00 0.00 H new ATOM 0 HB VAL A 121 10.206 -0.766 11.850 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.053 -1.212 13.988 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.370 0.523 13.749 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.733 -0.126 13.493 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.686 -2.700 12.051 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.344 -1.699 11.446 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.733 -2.057 10.392 1.00 0.00 H new ATOM 1883 N PHE A 122 6.507 0.823 10.306 1.00 0.00 N ATOM 1884 CA PHE A 122 5.117 1.239 10.380 1.00 0.00 C ATOM 1885 C PHE A 122 4.177 0.043 10.213 1.00 0.00 C ATOM 1886 O PHE A 122 4.545 -0.959 9.602 1.00 0.00 O ATOM 1887 CB PHE A 122 4.881 2.222 9.231 1.00 0.00 C ATOM 1888 CG PHE A 122 3.414 2.354 8.815 1.00 0.00 C ATOM 1889 CD1 PHE A 122 2.556 3.084 9.578 1.00 0.00 C ATOM 1890 CD2 PHE A 122 2.970 1.744 7.685 1.00 0.00 C ATOM 1891 CE1 PHE A 122 1.195 3.208 9.193 1.00 0.00 C ATOM 1892 CE2 PHE A 122 1.609 1.867 7.300 1.00 0.00 C ATOM 1893 CZ PHE A 122 0.750 2.596 8.062 1.00 0.00 C ATOM 0 H PHE A 122 6.752 0.300 9.465 1.00 0.00 H new ATOM 0 HA PHE A 122 4.916 1.693 11.351 1.00 0.00 H new ATOM 0 HB2 PHE A 122 5.255 3.203 9.524 1.00 0.00 H new ATOM 0 HB3 PHE A 122 5.465 1.903 8.368 1.00 0.00 H new ATOM 0 HD1 PHE A 122 2.910 3.569 10.476 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.652 1.166 7.080 1.00 0.00 H new ATOM 0 HE1 PHE A 122 0.513 3.788 9.798 1.00 0.00 H new ATOM 0 HE2 PHE A 122 1.256 1.382 6.402 1.00 0.00 H new ATOM 0 HZ PHE A 122 -0.285 2.689 7.769 1.00 0.00 H new ATOM 1903 N LYS A 123 2.982 0.188 10.766 1.00 0.00 N ATOM 1904 CA LYS A 123 1.987 -0.868 10.687 1.00 0.00 C ATOM 1905 C LYS A 123 0.651 -0.271 10.239 1.00 0.00 C ATOM 1906 O LYS A 123 0.402 0.917 10.433 1.00 0.00 O ATOM 1907 CB LYS A 123 1.908 -1.630 12.010 1.00 0.00 C ATOM 1908 CG LYS A 123 3.020 -2.677 12.109 1.00 0.00 C ATOM 1909 CD LYS A 123 2.463 -4.027 12.567 1.00 0.00 C ATOM 1910 CE LYS A 123 2.703 -4.238 14.063 1.00 0.00 C ATOM 1911 NZ LYS A 123 1.773 -5.259 14.598 1.00 0.00 N ATOM 0 H LYS A 123 2.680 1.021 11.271 1.00 0.00 H new ATOM 0 HA LYS A 123 2.273 -1.606 9.938 1.00 0.00 H new ATOM 0 HB2 LYS A 123 1.988 -0.930 12.842 1.00 0.00 H new ATOM 0 HB3 LYS A 123 0.937 -2.117 12.095 1.00 0.00 H new ATOM 0 HG2 LYS A 123 3.505 -2.790 11.140 1.00 0.00 H new ATOM 0 HG3 LYS A 123 3.783 -2.338 12.810 1.00 0.00 H new ATOM 0 HD2 LYS A 123 1.395 -4.075 12.356 1.00 0.00 H new ATOM 0 HD3 LYS A 123 2.936 -4.830 12.002 1.00 0.00 H new ATOM 0 HE2 LYS A 123 3.733 -4.552 14.231 1.00 0.00 H new ATOM 0 HE3 LYS A 123 2.565 -3.297 14.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 1.949 -5.390 15.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 0.792 -4.944 14.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 1.924 -6.160 14.101 1.00 0.00 H new ATOM 1924 N ARG A 124 -0.173 -1.125 9.649 1.00 0.00 N ATOM 1925 CA ARG A 124 -1.477 -0.697 9.173 1.00 0.00 C ATOM 1926 C ARG A 124 -2.485 -1.843 9.283 1.00 0.00 C ATOM 1927 O ARG A 124 -2.134 -3.005 9.084 1.00 0.00 O ATOM 1928 CB ARG A 124 -1.406 -0.229 7.717 1.00 0.00 C ATOM 1929 CG ARG A 124 -2.579 0.693 7.379 1.00 0.00 C ATOM 1930 CD ARG A 124 -2.388 1.345 6.008 1.00 0.00 C ATOM 1931 NE ARG A 124 -3.703 1.574 5.369 1.00 0.00 N ATOM 1932 CZ ARG A 124 -3.873 2.235 4.205 1.00 0.00 C ATOM 1933 NH1 ARG A 124 -2.811 2.737 3.541 1.00 0.00 N ATOM 1934 NH2 ARG A 124 -5.094 2.381 3.725 1.00 0.00 N ATOM 0 H ARG A 124 0.037 -2.110 9.490 1.00 0.00 H new ATOM 0 HA ARG A 124 -1.799 0.137 9.796 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -0.466 0.295 7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -1.415 -1.093 7.053 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.508 0.123 7.388 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -2.671 1.465 8.143 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -1.858 2.291 6.117 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -1.773 0.706 5.375 1.00 0.00 H new ATOM 0 HE ARG A 124 -4.532 1.210 5.838 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -1.871 2.618 3.918 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -2.948 3.235 2.662 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -5.891 1.997 4.233 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.241 2.878 2.846 1.00 0.00 H new ATOM 1947 N ILE A 125 -3.718 -1.475 9.600 1.00 0.00 N ATOM 1948 CA ILE A 125 -4.779 -2.458 9.740 1.00 0.00 C ATOM 1949 C ILE A 125 -6.023 -1.969 8.995 1.00 0.00 C ATOM 1950 O ILE A 125 -6.426 -0.816 9.143 1.00 0.00 O ATOM 1951 CB ILE A 125 -5.030 -2.769 11.217 1.00 0.00 C ATOM 1952 CG1 ILE A 125 -3.738 -3.200 11.913 1.00 0.00 C ATOM 1953 CG2 ILE A 125 -6.142 -3.809 11.377 1.00 0.00 C ATOM 1954 CD1 ILE A 125 -3.242 -2.112 12.869 1.00 0.00 C ATOM 0 H ILE A 125 -4.006 -0.510 9.764 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.485 -3.403 9.284 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.370 -1.856 11.706 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.909 -4.124 12.465 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -2.972 -3.411 11.167 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.301 -4.012 12.436 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -7.064 -3.426 10.939 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -5.854 -4.730 10.870 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.322 -2.443 13.351 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.049 -1.196 12.310 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.001 -1.921 13.628 1.00 0.00 H new ATOM 1966 N SER A 126 -6.595 -2.869 8.209 1.00 0.00 N ATOM 1967 CA SER A 126 -7.785 -2.544 7.440 1.00 0.00 C ATOM 1968 C SER A 126 -8.871 -3.593 7.687 1.00 0.00 C ATOM 1969 O SER A 126 -8.585 -4.682 8.184 1.00 0.00 O ATOM 1970 CB SER A 126 -7.466 -2.449 5.948 1.00 0.00 C ATOM 1971 OG SER A 126 -7.012 -1.150 5.578 1.00 0.00 O ATOM 0 H SER A 126 -6.257 -3.824 8.088 1.00 0.00 H new ATOM 0 HA SER A 126 -8.150 -1.571 7.768 1.00 0.00 H new ATOM 0 HB2 SER A 126 -6.703 -3.185 5.693 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.356 -2.699 5.371 1.00 0.00 H new ATOM 0 HG SER A 126 -6.818 -1.133 4.618 1.00 0.00 H new ATOM 1977 N LYS A 127 -10.092 -3.229 7.328 1.00 0.00 N ATOM 1978 CA LYS A 127 -11.222 -4.126 7.504 1.00 0.00 C ATOM 1979 C LYS A 127 -12.230 -3.898 6.375 1.00 0.00 C ATOM 1980 O LYS A 127 -12.523 -2.756 6.021 1.00 0.00 O ATOM 1981 CB LYS A 127 -11.820 -3.966 8.904 1.00 0.00 C ATOM 1982 CG LYS A 127 -12.815 -5.088 9.206 1.00 0.00 C ATOM 1983 CD LYS A 127 -14.180 -4.519 9.600 1.00 0.00 C ATOM 1984 CE LYS A 127 -15.204 -5.639 9.798 1.00 0.00 C ATOM 1985 NZ LYS A 127 -16.342 -5.161 10.615 1.00 0.00 N ATOM 0 H LYS A 127 -10.325 -2.325 6.916 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.898 -5.165 7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -11.022 -3.972 9.647 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.320 -3.001 8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -12.923 -5.729 8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.431 -5.712 10.013 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -14.086 -3.941 10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -14.529 -3.834 8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -15.564 -5.986 8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -14.731 -6.491 10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -17.028 -5.933 10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -15.996 -4.851 11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -16.803 -4.362 10.134 1.00 0.00 H new ATOM 1998 N ARG A 128 -12.732 -5.001 5.842 1.00 0.00 N ATOM 1999 CA ARG A 128 -13.700 -4.936 4.759 1.00 0.00 C ATOM 2000 C ARG A 128 -15.057 -4.469 5.290 1.00 0.00 C ATOM 2001 O ARG A 128 -15.545 -4.982 6.296 1.00 0.00 O ATOM 2002 CB ARG A 128 -13.865 -6.299 4.086 1.00 0.00 C ATOM 2003 CG ARG A 128 -14.382 -6.144 2.654 1.00 0.00 C ATOM 2004 CD ARG A 128 -15.887 -6.408 2.581 1.00 0.00 C ATOM 2005 NE ARG A 128 -16.156 -7.564 1.697 1.00 0.00 N ATOM 2006 CZ ARG A 128 -17.383 -8.081 1.480 1.00 0.00 C ATOM 2007 NH1 ARG A 128 -18.468 -7.546 2.080 1.00 0.00 N ATOM 2008 NH2 ARG A 128 -17.508 -9.116 0.670 1.00 0.00 N ATOM 0 H ARG A 128 -12.487 -5.946 6.139 1.00 0.00 H new ATOM 0 HA ARG A 128 -13.328 -4.223 4.023 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -12.909 -6.822 4.077 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -14.558 -6.912 4.662 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -14.168 -5.138 2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -13.856 -6.836 1.997 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -16.279 -6.604 3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -16.402 -5.524 2.204 1.00 0.00 H new ATOM 0 HE ARG A 128 -15.364 -7.997 1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -18.363 -6.745 2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -19.392 -7.943 1.911 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -16.684 -9.513 0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -18.429 -9.519 0.495 1.00 0.00 H new ATOM 2021 N ILE A 129 -15.628 -3.500 4.589 1.00 0.00 N ATOM 2022 CA ILE A 129 -16.920 -2.958 4.978 1.00 0.00 C ATOM 2023 C ILE A 129 -18.001 -4.017 4.752 1.00 0.00 C ATOM 2024 O ILE A 129 -18.907 -4.168 5.571 1.00 0.00 O ATOM 2025 CB ILE A 129 -17.189 -1.640 4.248 1.00 0.00 C ATOM 2026 CG1 ILE A 129 -16.035 -0.656 4.450 1.00 0.00 C ATOM 2027 CG2 ILE A 129 -18.532 -1.043 4.672 1.00 0.00 C ATOM 2028 CD1 ILE A 129 -15.827 -0.352 5.934 1.00 0.00 C ATOM 0 H ILE A 129 -15.221 -3.077 3.755 1.00 0.00 H new ATOM 0 HA ILE A 129 -16.927 -2.715 6.041 1.00 0.00 H new ATOM 0 HB ILE A 129 -17.252 -1.848 3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -15.120 -1.072 4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -16.242 0.269 3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -18.699 -0.107 4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -19.333 -1.743 4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -18.523 -0.852 5.745 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -15.001 0.350 6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -16.736 0.086 6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -15.596 -1.275 6.466 1.00 0.00 H new