USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 530 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 45 THR OG1 : rot 180:sc= 0.553 USER MOD Set 1.2: A 64 SER OG : rot 147:sc= 0.609 USER MOD Set 2.1: A 36 HIS : no HE2:sc= -0.994! C(o=-2.6!,f=-14!) USER MOD Set 2.2: A 60 TYR OH : rot 173:sc= -1.59 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 6:sc= 0.098 USER MOD Single : A 18 SER OG : rot 180:sc= 0.111 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 23 MET CE :methyl -100:sc= -0.298 (180deg=-2.17!) USER MOD Single : A 28 MET CE :methyl -168:sc= -0.298 (180deg=-0.598) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0129 K(o=-0.013,f=-1.7!) USER MOD Single : A 42 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.17) USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 1.16 (180deg=0.859) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 156:sc= -0.182 (180deg=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 166:sc= 0.109 (180deg=0.0632) USER MOD Single : A 63 MET CE :methyl -179:sc= 0 (180deg=-0.000792) USER MOD Single : A 65 MET CE :methyl -176:sc= -2.99 (180deg=-3.07!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 68 LYS NZ :NH3+ 150:sc= -0.18 (180deg=-1.01) USER MOD Single : A 72 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -2.35 F(o=-3.1!,f=-2.3) USER MOD Single : A 80 SER OG : rot -49:sc= 0.652 USER MOD Single : A 81 THR OG1 : rot -175:sc= -0.377 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 13 8.532 0.765 -11.141 1.00 0.00 N ATOM 2 CA LYS A 13 8.304 1.131 -9.713 1.00 0.00 C ATOM 3 C LYS A 13 6.997 0.482 -9.247 1.00 0.00 C ATOM 4 O LYS A 13 5.973 1.128 -9.145 1.00 0.00 O ATOM 5 CB LYS A 13 8.204 2.669 -9.594 1.00 0.00 C ATOM 6 CG LYS A 13 9.579 3.290 -9.277 1.00 0.00 C ATOM 7 CD LYS A 13 10.518 3.183 -10.492 1.00 0.00 C ATOM 8 CE LYS A 13 10.245 4.317 -11.489 1.00 0.00 C ATOM 9 NZ LYS A 13 11.277 4.283 -12.564 1.00 0.00 N ATOM 0 HA LYS A 13 9.128 0.780 -9.092 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.819 3.085 -10.525 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.493 2.931 -8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.455 4.336 -8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.024 2.782 -8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.556 3.225 -10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.378 2.219 -10.982 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.250 4.207 -11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.266 5.280 -10.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.097 5.050 -13.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.220 4.407 -12.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.235 3.368 -13.056 1.00 0.00 H new ATOM 23 N SER A 14 7.019 -0.793 -8.971 1.00 0.00 N ATOM 24 CA SER A 14 5.775 -1.477 -8.519 1.00 0.00 C ATOM 25 C SER A 14 5.542 -1.188 -7.036 1.00 0.00 C ATOM 26 O SER A 14 6.449 -0.822 -6.319 1.00 0.00 O ATOM 27 CB SER A 14 5.912 -2.982 -8.727 1.00 0.00 C ATOM 28 OG SER A 14 6.488 -3.225 -10.002 1.00 0.00 O ATOM 0 H SER A 14 7.843 -1.390 -9.039 1.00 0.00 H new ATOM 0 HA SER A 14 4.930 -1.107 -9.099 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.535 -3.414 -7.944 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.936 -3.461 -8.658 1.00 0.00 H new ATOM 0 HG SER A 14 6.580 -4.191 -10.141 1.00 0.00 H new ATOM 34 N ILE A 15 4.325 -1.350 -6.575 1.00 0.00 N ATOM 35 CA ILE A 15 4.000 -1.085 -5.137 1.00 0.00 C ATOM 36 C ILE A 15 3.428 -2.352 -4.499 1.00 0.00 C ATOM 37 O ILE A 15 2.541 -2.985 -5.040 1.00 0.00 O ATOM 38 CB ILE A 15 2.949 0.023 -5.056 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.459 1.287 -5.769 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.639 0.334 -3.588 1.00 0.00 C ATOM 41 CD1 ILE A 15 4.774 1.787 -5.150 1.00 0.00 C ATOM 0 H ILE A 15 3.534 -1.658 -7.140 1.00 0.00 H new ATOM 0 HA ILE A 15 4.906 -0.784 -4.611 1.00 0.00 H new ATOM 0 HB ILE A 15 2.037 -0.312 -5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.611 1.074 -6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.704 2.071 -5.707 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.890 1.124 -3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.257 -0.562 -3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.549 0.662 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.107 2.681 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.614 2.024 -4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.535 1.011 -5.236 1.00 0.00 H new ATOM 53 N TRP A 16 3.920 -2.723 -3.346 1.00 0.00 N ATOM 54 CA TRP A 16 3.404 -3.943 -2.656 1.00 0.00 C ATOM 55 C TRP A 16 3.379 -3.668 -1.149 1.00 0.00 C ATOM 56 O TRP A 16 4.343 -3.191 -0.585 1.00 0.00 O ATOM 57 CB TRP A 16 4.331 -5.122 -2.957 1.00 0.00 C ATOM 58 CG TRP A 16 4.324 -5.403 -4.429 1.00 0.00 C ATOM 59 CD1 TRP A 16 5.169 -4.850 -5.332 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.452 -6.298 -5.180 1.00 0.00 C ATOM 61 NE1 TRP A 16 4.869 -5.349 -6.589 1.00 0.00 N ATOM 62 CE2 TRP A 16 3.820 -6.246 -6.548 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.389 -7.145 -4.814 1.00 0.00 C ATOM 64 CZ2 TRP A 16 3.156 -7.004 -7.515 1.00 0.00 C ATOM 65 CZ3 TRP A 16 1.721 -7.908 -5.784 1.00 0.00 C ATOM 66 CH2 TRP A 16 2.103 -7.840 -7.132 1.00 0.00 C ATOM 0 H TRP A 16 4.662 -2.230 -2.849 1.00 0.00 H new ATOM 0 HA TRP A 16 2.400 -4.185 -3.005 1.00 0.00 H new ATOM 0 HB2 TRP A 16 5.344 -4.895 -2.624 1.00 0.00 H new ATOM 0 HB3 TRP A 16 4.005 -6.004 -2.406 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.949 -4.137 -5.109 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.363 -5.086 -7.442 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.085 -7.208 -3.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 3.454 -6.945 -8.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 0.906 -8.553 -5.490 1.00 0.00 H new ATOM 0 HH2 TRP A 16 1.585 -8.432 -7.872 1.00 0.00 H new ATOM 77 N CYS A 17 2.272 -3.940 -0.492 1.00 0.00 N ATOM 78 CA CYS A 17 2.178 -3.670 0.980 1.00 0.00 C ATOM 79 C CYS A 17 1.507 -4.842 1.711 1.00 0.00 C ATOM 80 O CYS A 17 0.642 -5.509 1.179 1.00 0.00 O ATOM 81 CB CYS A 17 1.348 -2.405 1.197 1.00 0.00 C ATOM 82 SG CYS A 17 2.304 -0.969 0.657 1.00 0.00 S ATOM 0 H CYS A 17 1.432 -4.337 -0.912 1.00 0.00 H new ATOM 0 HA CYS A 17 3.184 -3.543 1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.415 -2.467 0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.083 -2.306 2.249 1.00 0.00 H new ATOM 0 HG CYS A 17 3.409 -1.368 0.100 1.00 0.00 H new ATOM 88 N SER A 18 1.898 -5.074 2.939 1.00 0.00 N ATOM 89 CA SER A 18 1.287 -6.177 3.746 1.00 0.00 C ATOM 90 C SER A 18 -0.109 -5.733 4.210 1.00 0.00 C ATOM 91 O SER A 18 -0.402 -4.552 4.255 1.00 0.00 O ATOM 92 CB SER A 18 2.192 -6.455 4.963 1.00 0.00 C ATOM 93 OG SER A 18 2.915 -5.273 5.278 1.00 0.00 O ATOM 0 H SER A 18 2.621 -4.542 3.422 1.00 0.00 H new ATOM 0 HA SER A 18 1.194 -7.086 3.152 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.590 -6.768 5.817 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.881 -7.271 4.742 1.00 0.00 H new ATOM 0 HG SER A 18 3.492 -5.439 6.052 1.00 0.00 H new ATOM 99 N PRO A 19 -0.972 -6.662 4.556 1.00 0.00 N ATOM 100 CA PRO A 19 -2.355 -6.335 5.024 1.00 0.00 C ATOM 101 C PRO A 19 -2.334 -5.414 6.248 1.00 0.00 C ATOM 102 O PRO A 19 -3.272 -4.684 6.506 1.00 0.00 O ATOM 103 CB PRO A 19 -2.969 -7.708 5.373 1.00 0.00 C ATOM 104 CG PRO A 19 -1.800 -8.631 5.520 1.00 0.00 C ATOM 105 CD PRO A 19 -0.742 -8.116 4.546 1.00 0.00 C ATOM 0 HA PRO A 19 -2.928 -5.798 4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.550 -7.658 6.294 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.644 -8.049 4.588 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.425 -8.628 6.543 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.080 -9.658 5.287 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.267 -8.368 4.873 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.869 -8.539 3.550 1.00 0.00 H new ATOM 113 N GLN A 20 -1.270 -5.439 6.999 1.00 0.00 N ATOM 114 CA GLN A 20 -1.190 -4.564 8.200 1.00 0.00 C ATOM 115 C GLN A 20 -1.306 -3.112 7.744 1.00 0.00 C ATOM 116 O GLN A 20 -2.033 -2.321 8.318 1.00 0.00 O ATOM 117 CB GLN A 20 0.156 -4.782 8.890 1.00 0.00 C ATOM 118 CG GLN A 20 0.247 -3.893 10.132 1.00 0.00 C ATOM 119 CD GLN A 20 1.557 -4.177 10.862 1.00 0.00 C ATOM 120 OE1 GLN A 20 2.592 -4.333 10.243 1.00 0.00 O ATOM 121 NE2 GLN A 20 1.558 -4.253 12.165 1.00 0.00 N ATOM 0 H GLN A 20 -0.453 -6.027 6.833 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.992 -4.800 8.899 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.266 -5.829 9.171 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.970 -4.549 8.203 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.198 -2.842 9.846 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.599 -4.084 10.792 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.690 -4.122 12.684 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.427 -4.443 12.664 1.00 0.00 H new ATOM 130 N GLU A 21 -0.606 -2.761 6.698 1.00 0.00 N ATOM 131 CA GLU A 21 -0.681 -1.371 6.184 1.00 0.00 C ATOM 132 C GLU A 21 -2.117 -1.102 5.741 1.00 0.00 C ATOM 133 O GLU A 21 -2.675 -0.056 6.008 1.00 0.00 O ATOM 134 CB GLU A 21 0.262 -1.229 4.993 1.00 0.00 C ATOM 135 CG GLU A 21 1.712 -1.344 5.476 1.00 0.00 C ATOM 136 CD GLU A 21 2.073 -0.113 6.311 1.00 0.00 C ATOM 137 OE1 GLU A 21 1.874 0.987 5.825 1.00 0.00 O ATOM 138 OE2 GLU A 21 2.540 -0.292 7.424 1.00 0.00 O ATOM 0 H GLU A 21 0.015 -3.382 6.179 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.391 -0.659 6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.051 -2.002 4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.105 -0.268 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.837 -2.249 6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.385 -1.427 4.623 1.00 0.00 H new ATOM 145 N ILE A 22 -2.727 -2.052 5.083 1.00 0.00 N ATOM 146 CA ILE A 22 -4.135 -1.856 4.651 1.00 0.00 C ATOM 147 C ILE A 22 -5.006 -1.781 5.906 1.00 0.00 C ATOM 148 O ILE A 22 -5.853 -0.919 6.032 1.00 0.00 O ATOM 149 CB ILE A 22 -4.580 -3.020 3.755 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.800 -2.957 2.435 1.00 0.00 C ATOM 151 CG2 ILE A 22 -6.081 -2.906 3.468 1.00 0.00 C ATOM 152 CD1 ILE A 22 -4.075 -4.213 1.605 1.00 0.00 C ATOM 0 H ILE A 22 -2.312 -2.948 4.829 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.231 -0.936 4.074 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.384 -3.967 4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.090 -2.069 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.732 -2.871 2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.394 -3.734 2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.635 -2.940 4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.284 -1.962 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.518 -4.160 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.762 -5.095 2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.141 -4.280 1.389 1.00 0.00 H new ATOM 164 N MET A 23 -4.803 -2.677 6.840 1.00 0.00 N ATOM 165 CA MET A 23 -5.611 -2.668 8.094 1.00 0.00 C ATOM 166 C MET A 23 -5.603 -1.277 8.733 1.00 0.00 C ATOM 167 O MET A 23 -6.457 -0.957 9.538 1.00 0.00 O ATOM 168 CB MET A 23 -4.986 -3.662 9.081 1.00 0.00 C ATOM 169 CG MET A 23 -5.300 -5.103 8.653 1.00 0.00 C ATOM 170 SD MET A 23 -6.877 -5.608 9.385 1.00 0.00 S ATOM 171 CE MET A 23 -6.253 -6.062 11.031 1.00 0.00 C ATOM 0 H MET A 23 -4.106 -3.419 6.785 1.00 0.00 H new ATOM 0 HA MET A 23 -6.639 -2.942 7.857 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.907 -3.514 9.123 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.372 -3.481 10.084 1.00 0.00 H new ATOM 0 HG2 MET A 23 -5.351 -5.170 7.566 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.504 -5.773 8.976 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.139 -7.144 11.091 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.287 -5.585 11.198 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.959 -5.729 11.792 1.00 0.00 H new ATOM 181 N ALA A 24 -4.646 -0.447 8.405 1.00 0.00 N ATOM 182 CA ALA A 24 -4.608 0.908 9.028 1.00 0.00 C ATOM 183 C ALA A 24 -5.612 1.823 8.328 1.00 0.00 C ATOM 184 O ALA A 24 -5.898 2.910 8.789 1.00 0.00 O ATOM 185 CB ALA A 24 -3.203 1.504 8.886 1.00 0.00 C ATOM 0 H ALA A 24 -3.898 -0.646 7.741 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.863 0.821 10.084 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.180 2.494 9.342 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.481 0.857 9.385 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.947 1.586 7.830 1.00 0.00 H new ATOM 191 N ALA A 25 -6.162 1.388 7.224 1.00 0.00 N ATOM 192 CA ALA A 25 -7.163 2.231 6.504 1.00 0.00 C ATOM 193 C ALA A 25 -8.552 1.962 7.082 1.00 0.00 C ATOM 194 O ALA A 25 -9.026 0.844 7.087 1.00 0.00 O ATOM 195 CB ALA A 25 -7.160 1.886 5.011 1.00 0.00 C ATOM 0 H ALA A 25 -5.962 0.487 6.790 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.905 3.283 6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.893 2.505 4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.169 2.073 4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.416 0.835 4.880 1.00 0.00 H new ATOM 201 N ASP A 26 -9.213 2.978 7.561 1.00 0.00 N ATOM 202 CA ASP A 26 -10.575 2.786 8.130 1.00 0.00 C ATOM 203 C ASP A 26 -11.506 2.224 7.048 1.00 0.00 C ATOM 204 O ASP A 26 -12.337 1.378 7.308 1.00 0.00 O ATOM 205 CB ASP A 26 -11.107 4.131 8.638 1.00 0.00 C ATOM 206 CG ASP A 26 -10.322 4.545 9.884 1.00 0.00 C ATOM 207 OD1 ASP A 26 -9.877 3.662 10.599 1.00 0.00 O ATOM 208 OD2 ASP A 26 -10.181 5.737 10.104 1.00 0.00 O ATOM 0 H ASP A 26 -8.867 3.937 7.583 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.532 2.082 8.961 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.009 4.891 7.863 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.168 4.051 8.872 1.00 0.00 H new ATOM 213 N GLY A 27 -11.373 2.701 5.840 1.00 0.00 N ATOM 214 CA GLY A 27 -12.246 2.219 4.727 1.00 0.00 C ATOM 215 C GLY A 27 -12.265 0.686 4.667 1.00 0.00 C ATOM 216 O GLY A 27 -13.172 0.102 4.108 1.00 0.00 O ATOM 0 H GLY A 27 -10.691 3.411 5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.260 2.594 4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.887 2.619 3.779 1.00 0.00 H new ATOM 220 N MET A 28 -11.275 0.026 5.226 1.00 0.00 N ATOM 221 CA MET A 28 -11.245 -1.475 5.186 1.00 0.00 C ATOM 222 C MET A 28 -11.223 -2.020 6.621 1.00 0.00 C ATOM 223 O MET A 28 -10.186 -2.392 7.132 1.00 0.00 O ATOM 224 CB MET A 28 -9.988 -1.937 4.438 1.00 0.00 C ATOM 225 CG MET A 28 -9.804 -1.098 3.168 1.00 0.00 C ATOM 226 SD MET A 28 -8.731 -1.985 2.011 1.00 0.00 S ATOM 227 CE MET A 28 -9.063 -0.960 0.557 1.00 0.00 C ATOM 0 H MET A 28 -10.488 0.461 5.707 1.00 0.00 H new ATOM 0 HA MET A 28 -12.130 -1.848 4.671 1.00 0.00 H new ATOM 0 HB2 MET A 28 -9.113 -1.837 5.081 1.00 0.00 H new ATOM 0 HB3 MET A 28 -10.075 -2.992 4.179 1.00 0.00 H new ATOM 0 HG2 MET A 28 -10.771 -0.901 2.706 1.00 0.00 H new ATOM 0 HG3 MET A 28 -9.367 -0.131 3.418 1.00 0.00 H new ATOM 0 HE1 MET A 28 -8.668 -1.451 -0.332 1.00 0.00 H new ATOM 0 HE2 MET A 28 -10.139 -0.821 0.448 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.582 0.011 0.679 1.00 0.00 H new ATOM 237 N PRO A 29 -12.365 -2.054 7.277 1.00 0.00 N ATOM 238 CA PRO A 29 -12.478 -2.544 8.689 1.00 0.00 C ATOM 239 C PRO A 29 -12.485 -4.072 8.796 1.00 0.00 C ATOM 240 O PRO A 29 -12.627 -4.777 7.815 1.00 0.00 O ATOM 241 CB PRO A 29 -13.827 -1.982 9.132 1.00 0.00 C ATOM 242 CG PRO A 29 -14.643 -2.009 7.887 1.00 0.00 C ATOM 243 CD PRO A 29 -13.684 -1.629 6.757 1.00 0.00 C ATOM 0 HA PRO A 29 -11.630 -2.228 9.297 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -14.275 -2.589 9.919 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.730 -0.970 9.526 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.072 -2.997 7.721 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.474 -1.307 7.948 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.934 -2.140 5.827 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.710 -0.559 6.550 1.00 0.00 H new ATOM 251 N GLY A 30 -12.321 -4.580 9.990 1.00 0.00 N ATOM 252 CA GLY A 30 -12.300 -6.055 10.203 1.00 0.00 C ATOM 253 C GLY A 30 -10.857 -6.475 10.457 1.00 0.00 C ATOM 254 O GLY A 30 -9.929 -5.761 10.126 1.00 0.00 O ATOM 0 H GLY A 30 -12.199 -4.026 10.838 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.930 -6.327 11.050 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.699 -6.572 9.330 1.00 0.00 H new ATOM 258 N SER A 31 -10.642 -7.617 11.044 1.00 0.00 N ATOM 259 CA SER A 31 -9.245 -8.046 11.309 1.00 0.00 C ATOM 260 C SER A 31 -8.586 -8.402 9.977 1.00 0.00 C ATOM 261 O SER A 31 -9.076 -8.045 8.923 1.00 0.00 O ATOM 262 CB SER A 31 -9.242 -9.264 12.242 1.00 0.00 C ATOM 263 OG SER A 31 -9.608 -10.427 11.510 1.00 0.00 O ATOM 0 H SER A 31 -11.367 -8.266 11.349 1.00 0.00 H new ATOM 0 HA SER A 31 -8.691 -7.241 11.791 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.253 -9.395 12.682 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.939 -9.106 13.065 1.00 0.00 H new ATOM 0 HG SER A 31 -9.604 -11.204 12.107 1.00 0.00 H new ATOM 269 N VAL A 32 -7.472 -9.069 10.005 1.00 0.00 N ATOM 270 CA VAL A 32 -6.794 -9.399 8.726 1.00 0.00 C ATOM 271 C VAL A 32 -7.743 -10.219 7.842 1.00 0.00 C ATOM 272 O VAL A 32 -7.911 -9.926 6.675 1.00 0.00 O ATOM 273 CB VAL A 32 -5.518 -10.194 9.020 1.00 0.00 C ATOM 274 CG1 VAL A 32 -4.786 -10.520 7.718 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.599 -9.363 9.924 1.00 0.00 C ATOM 0 H VAL A 32 -7.004 -9.398 10.850 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.527 -8.483 8.200 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.787 -11.125 9.519 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.881 -11.085 7.941 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.435 -11.114 7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.519 -9.594 7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.690 -9.926 10.135 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.340 -8.431 9.421 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.113 -9.140 10.859 1.00 0.00 H new ATOM 285 N ALA A 33 -8.361 -11.242 8.371 1.00 0.00 N ATOM 286 CA ALA A 33 -9.287 -12.067 7.535 1.00 0.00 C ATOM 287 C ALA A 33 -10.438 -11.201 7.000 1.00 0.00 C ATOM 288 O ALA A 33 -10.849 -11.343 5.868 1.00 0.00 O ATOM 289 CB ALA A 33 -9.861 -13.210 8.379 1.00 0.00 C ATOM 0 H ALA A 33 -8.266 -11.542 9.341 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.729 -12.476 6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.536 -13.810 7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.047 -13.837 8.744 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.409 -12.797 9.226 1.00 0.00 H new ATOM 295 N GLY A 34 -10.971 -10.313 7.798 1.00 0.00 N ATOM 296 CA GLY A 34 -12.099 -9.463 7.307 1.00 0.00 C ATOM 297 C GLY A 34 -11.655 -8.713 6.047 1.00 0.00 C ATOM 298 O GLY A 34 -12.382 -8.617 5.070 1.00 0.00 O ATOM 0 H GLY A 34 -10.679 -10.139 8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.968 -10.083 7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.399 -8.755 8.079 1.00 0.00 H new ATOM 302 N VAL A 35 -10.455 -8.206 6.049 1.00 0.00 N ATOM 303 CA VAL A 35 -9.949 -7.492 4.849 1.00 0.00 C ATOM 304 C VAL A 35 -9.954 -8.480 3.682 1.00 0.00 C ATOM 305 O VAL A 35 -10.289 -8.145 2.564 1.00 0.00 O ATOM 306 CB VAL A 35 -8.516 -7.013 5.116 1.00 0.00 C ATOM 307 CG1 VAL A 35 -7.870 -6.542 3.812 1.00 0.00 C ATOM 308 CG2 VAL A 35 -8.552 -5.851 6.110 1.00 0.00 C ATOM 0 H VAL A 35 -9.803 -8.256 6.832 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.574 -6.629 4.617 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.932 -7.837 5.527 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.853 -6.204 4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.845 -7.367 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.451 -5.719 3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.536 -5.506 6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.139 -5.033 5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.006 -6.184 7.043 1.00 0.00 H new ATOM 318 N HIS A 36 -9.585 -9.704 3.950 1.00 0.00 N ATOM 319 CA HIS A 36 -9.557 -10.740 2.883 1.00 0.00 C ATOM 320 C HIS A 36 -10.988 -11.093 2.462 1.00 0.00 C ATOM 321 O HIS A 36 -11.218 -11.560 1.362 1.00 0.00 O ATOM 322 CB HIS A 36 -8.867 -12.001 3.423 1.00 0.00 C ATOM 323 CG HIS A 36 -7.377 -11.791 3.507 1.00 0.00 C ATOM 324 ND1 HIS A 36 -6.803 -10.820 4.314 1.00 0.00 N ATOM 325 CD2 HIS A 36 -6.330 -12.453 2.921 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.466 -10.931 4.193 1.00 0.00 C ATOM 327 NE2 HIS A 36 -5.125 -11.913 3.357 1.00 0.00 N ATOM 0 H HIS A 36 -9.299 -10.031 4.873 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.011 -10.355 2.021 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.262 -12.245 4.409 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.085 -12.849 2.773 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.302 -10.145 4.893 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.426 -13.272 2.224 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.757 -10.302 4.710 1.00 0.00 H new ATOM 335 N TYR A 37 -11.953 -10.892 3.324 1.00 0.00 N ATOM 336 CA TYR A 37 -13.353 -11.245 2.947 1.00 0.00 C ATOM 337 C TYR A 37 -13.778 -10.447 1.715 1.00 0.00 C ATOM 338 O TYR A 37 -14.242 -11.001 0.738 1.00 0.00 O ATOM 339 CB TYR A 37 -14.306 -10.913 4.099 1.00 0.00 C ATOM 340 CG TYR A 37 -15.706 -11.358 3.736 1.00 0.00 C ATOM 341 CD1 TYR A 37 -16.571 -10.486 3.064 1.00 0.00 C ATOM 342 CD2 TYR A 37 -16.133 -12.651 4.063 1.00 0.00 C ATOM 343 CE1 TYR A 37 -17.863 -10.906 2.723 1.00 0.00 C ATOM 344 CE2 TYR A 37 -17.425 -13.071 3.722 1.00 0.00 C ATOM 345 CZ TYR A 37 -18.291 -12.199 3.051 1.00 0.00 C ATOM 346 OH TYR A 37 -19.565 -12.611 2.716 1.00 0.00 O ATOM 0 H TYR A 37 -11.834 -10.504 4.260 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.394 -12.312 2.730 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.979 -11.412 5.011 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.293 -9.842 4.299 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.242 -9.490 2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.465 -13.325 4.579 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.530 -10.232 2.206 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.753 -14.068 3.977 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.699 -13.534 3.015 1.00 0.00 H new ATOM 356 N ARG A 38 -13.632 -9.152 1.750 1.00 0.00 N ATOM 357 CA ARG A 38 -14.042 -8.338 0.569 1.00 0.00 C ATOM 358 C ARG A 38 -13.090 -8.584 -0.607 1.00 0.00 C ATOM 359 O ARG A 38 -13.492 -8.569 -1.753 1.00 0.00 O ATOM 360 CB ARG A 38 -14.060 -6.855 0.938 1.00 0.00 C ATOM 361 CG ARG A 38 -12.714 -6.432 1.529 1.00 0.00 C ATOM 362 CD ARG A 38 -12.693 -4.910 1.658 1.00 0.00 C ATOM 363 NE ARG A 38 -13.940 -4.459 2.348 1.00 0.00 N ATOM 364 CZ ARG A 38 -14.048 -3.231 2.775 1.00 0.00 C ATOM 365 NH1 ARG A 38 -13.081 -2.383 2.569 1.00 0.00 N ATOM 366 NH2 ARG A 38 -15.129 -2.848 3.400 1.00 0.00 N ATOM 0 H ARG A 38 -13.251 -8.625 2.536 1.00 0.00 H new ATOM 0 HA ARG A 38 -15.046 -8.638 0.267 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -14.279 -6.257 0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -14.856 -6.663 1.658 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.567 -6.896 2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.898 -6.768 0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.816 -4.593 2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.622 -4.450 0.672 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.710 -5.114 2.486 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.240 -2.679 2.074 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.165 -1.423 2.903 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.890 -3.509 3.555 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.212 -1.888 3.733 1.00 0.00 H new ATOM 380 N ALA A 39 -11.830 -8.794 -0.338 1.00 0.00 N ATOM 381 CA ALA A 39 -10.854 -9.024 -1.446 1.00 0.00 C ATOM 382 C ALA A 39 -11.032 -10.433 -2.024 1.00 0.00 C ATOM 383 O ALA A 39 -10.457 -10.771 -3.039 1.00 0.00 O ATOM 384 CB ALA A 39 -9.424 -8.866 -0.909 1.00 0.00 C ATOM 0 H ALA A 39 -11.432 -8.817 0.601 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.033 -8.293 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.711 -9.034 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.293 -7.859 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.251 -9.593 -0.116 1.00 0.00 H new ATOM 390 N ASN A 40 -11.834 -11.250 -1.399 1.00 0.00 N ATOM 391 CA ASN A 40 -12.053 -12.628 -1.931 1.00 0.00 C ATOM 392 C ASN A 40 -12.919 -12.562 -3.189 1.00 0.00 C ATOM 393 O ASN A 40 -12.656 -13.222 -4.173 1.00 0.00 O ATOM 394 CB ASN A 40 -12.763 -13.482 -0.882 1.00 0.00 C ATOM 395 CG ASN A 40 -12.849 -14.925 -1.384 1.00 0.00 C ATOM 396 OD1 ASN A 40 -12.072 -15.334 -2.225 1.00 0.00 O ATOM 397 ND2 ASN A 40 -13.770 -15.719 -0.909 1.00 0.00 N ATOM 0 H ASN A 40 -12.346 -11.026 -0.546 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.087 -13.072 -2.171 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.221 -13.444 0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -13.762 -13.090 -0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -13.837 -16.680 -1.243 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -14.423 -15.378 -0.203 1.00 0.00 H new ATOM 404 N VAL A 41 -13.960 -11.778 -3.154 1.00 0.00 N ATOM 405 CA VAL A 41 -14.860 -11.677 -4.337 1.00 0.00 C ATOM 406 C VAL A 41 -14.122 -10.986 -5.487 1.00 0.00 C ATOM 407 O VAL A 41 -14.193 -11.414 -6.621 1.00 0.00 O ATOM 408 CB VAL A 41 -16.103 -10.866 -3.959 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.952 -10.611 -5.207 1.00 0.00 C ATOM 410 CG2 VAL A 41 -16.923 -11.644 -2.926 1.00 0.00 C ATOM 0 H VAL A 41 -14.227 -11.202 -2.356 1.00 0.00 H new ATOM 0 HA VAL A 41 -15.160 -12.676 -4.654 1.00 0.00 H new ATOM 0 HB VAL A 41 -15.797 -9.910 -3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.836 -10.034 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -16.366 -10.054 -5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.260 -11.563 -5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -17.808 -11.068 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.228 -12.601 -3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -16.317 -11.817 -2.036 1.00 0.00 H new ATOM 420 N GLN A 42 -13.415 -9.925 -5.207 1.00 0.00 N ATOM 421 CA GLN A 42 -12.675 -9.214 -6.292 1.00 0.00 C ATOM 422 C GLN A 42 -11.345 -9.923 -6.556 1.00 0.00 C ATOM 423 O GLN A 42 -10.769 -10.538 -5.679 1.00 0.00 O ATOM 424 CB GLN A 42 -12.394 -7.769 -5.872 1.00 0.00 C ATOM 425 CG GLN A 42 -13.710 -7.002 -5.731 1.00 0.00 C ATOM 426 CD GLN A 42 -14.367 -6.842 -7.106 1.00 0.00 C ATOM 427 OE1 GLN A 42 -15.533 -7.135 -7.273 1.00 0.00 O ATOM 428 NE2 GLN A 42 -13.661 -6.389 -8.105 1.00 0.00 N ATOM 0 H GLN A 42 -13.317 -9.519 -4.276 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.283 -9.219 -7.196 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.852 -7.755 -4.927 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.758 -7.283 -6.612 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.381 -7.534 -5.057 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.525 -6.023 -5.290 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.681 -6.142 -7.967 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.089 -6.281 -9.025 1.00 0.00 H new ATOM 437 N GLY A 43 -10.846 -9.834 -7.758 1.00 0.00 N ATOM 438 CA GLY A 43 -9.546 -10.490 -8.087 1.00 0.00 C ATOM 439 C GLY A 43 -8.401 -9.513 -7.809 1.00 0.00 C ATOM 440 O GLY A 43 -7.663 -9.138 -8.699 1.00 0.00 O ATOM 0 H GLY A 43 -11.284 -9.333 -8.531 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.421 -11.394 -7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.534 -10.794 -9.134 1.00 0.00 H new ATOM 444 N TRP A 44 -8.244 -9.101 -6.582 1.00 0.00 N ATOM 445 CA TRP A 44 -7.146 -8.150 -6.245 1.00 0.00 C ATOM 446 C TRP A 44 -5.804 -8.772 -6.639 1.00 0.00 C ATOM 447 O TRP A 44 -5.662 -9.977 -6.692 1.00 0.00 O ATOM 448 CB TRP A 44 -7.127 -7.903 -4.726 1.00 0.00 C ATOM 449 CG TRP A 44 -8.150 -6.887 -4.323 1.00 0.00 C ATOM 450 CD1 TRP A 44 -9.249 -6.543 -5.030 1.00 0.00 C ATOM 451 CD2 TRP A 44 -8.172 -6.083 -3.112 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.944 -5.570 -4.327 1.00 0.00 N ATOM 453 CE2 TRP A 44 -9.316 -5.255 -3.134 1.00 0.00 C ATOM 454 CE3 TRP A 44 -7.309 -5.997 -2.006 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.594 -4.368 -2.089 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.579 -5.112 -0.957 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.720 -4.295 -0.996 1.00 0.00 C ATOM 0 H TRP A 44 -8.830 -9.382 -5.796 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.308 -7.213 -6.779 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.316 -8.840 -4.202 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -6.136 -7.563 -4.424 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.538 -6.957 -5.985 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.811 -5.140 -4.649 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.428 -6.621 -1.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -10.475 -3.744 -2.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.907 -5.057 -0.113 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.924 -3.611 -0.185 1.00 0.00 H new ATOM 468 N THR A 45 -4.807 -7.963 -6.870 1.00 0.00 N ATOM 469 CA THR A 45 -3.470 -8.518 -7.200 1.00 0.00 C ATOM 470 C THR A 45 -2.847 -8.974 -5.878 1.00 0.00 C ATOM 471 O THR A 45 -2.593 -8.173 -4.999 1.00 0.00 O ATOM 472 CB THR A 45 -2.611 -7.430 -7.865 1.00 0.00 C ATOM 473 OG1 THR A 45 -2.982 -7.318 -9.230 1.00 0.00 O ATOM 474 CG2 THR A 45 -1.126 -7.791 -7.771 1.00 0.00 C ATOM 0 H THR A 45 -4.863 -6.945 -6.844 1.00 0.00 H new ATOM 0 HA THR A 45 -3.539 -9.354 -7.897 1.00 0.00 H new ATOM 0 HB THR A 45 -2.775 -6.482 -7.352 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.440 -6.625 -9.661 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.531 -7.011 -8.246 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.839 -7.879 -6.723 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.950 -8.740 -8.276 1.00 0.00 H new ATOM 482 N LYS A 46 -2.637 -10.255 -5.712 1.00 0.00 N ATOM 483 CA LYS A 46 -2.076 -10.765 -4.421 1.00 0.00 C ATOM 484 C LYS A 46 -0.929 -11.735 -4.700 1.00 0.00 C ATOM 485 O LYS A 46 -0.850 -12.334 -5.752 1.00 0.00 O ATOM 486 CB LYS A 46 -3.176 -11.533 -3.674 1.00 0.00 C ATOM 487 CG LYS A 46 -4.465 -10.696 -3.604 1.00 0.00 C ATOM 488 CD LYS A 46 -5.620 -11.543 -3.026 1.00 0.00 C ATOM 489 CE LYS A 46 -6.285 -12.377 -4.127 1.00 0.00 C ATOM 490 NZ LYS A 46 -7.214 -11.513 -4.903 1.00 0.00 N ATOM 0 H LYS A 46 -2.829 -10.971 -6.413 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.715 -9.923 -3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.376 -12.478 -4.180 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.838 -11.776 -2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.303 -9.816 -2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.729 -10.338 -4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.239 -12.201 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.359 -10.890 -2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.527 -12.801 -4.786 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.829 -13.213 -3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.790 -12.104 -5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.836 -10.997 -4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.666 -10.833 -5.468 1.00 0.00 H new ATOM 504 N ARG A 47 -0.052 -11.914 -3.748 1.00 0.00 N ATOM 505 CA ARG A 47 1.077 -12.872 -3.938 1.00 0.00 C ATOM 506 C ARG A 47 1.380 -13.550 -2.599 1.00 0.00 C ATOM 507 O ARG A 47 1.616 -12.902 -1.595 1.00 0.00 O ATOM 508 CB ARG A 47 2.312 -12.124 -4.463 1.00 0.00 C ATOM 509 CG ARG A 47 2.730 -11.025 -3.481 1.00 0.00 C ATOM 510 CD ARG A 47 3.789 -10.133 -4.137 1.00 0.00 C ATOM 511 NE ARG A 47 5.022 -10.935 -4.382 1.00 0.00 N ATOM 512 CZ ARG A 47 5.965 -10.474 -5.160 1.00 0.00 C ATOM 513 NH1 ARG A 47 5.848 -9.292 -5.700 1.00 0.00 N ATOM 514 NH2 ARG A 47 7.026 -11.195 -5.401 1.00 0.00 N ATOM 0 H ARG A 47 -0.069 -11.438 -2.846 1.00 0.00 H new ATOM 0 HA ARG A 47 0.805 -13.632 -4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.135 -12.824 -4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.093 -11.686 -5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.863 -10.429 -3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.127 -11.469 -2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.411 -9.729 -5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.015 -9.283 -3.493 1.00 0.00 H new ATOM 0 HE ARG A 47 5.130 -11.848 -3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.020 -8.727 -5.515 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.585 -8.933 -6.307 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.120 -12.120 -4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.761 -10.833 -6.009 1.00 0.00 H new ATOM 528 N LYS A 48 1.347 -14.857 -2.568 1.00 0.00 N ATOM 529 CA LYS A 48 1.610 -15.587 -1.291 1.00 0.00 C ATOM 530 C LYS A 48 3.102 -15.886 -1.161 1.00 0.00 C ATOM 531 O LYS A 48 3.601 -16.831 -1.741 1.00 0.00 O ATOM 532 CB LYS A 48 0.840 -16.914 -1.278 1.00 0.00 C ATOM 533 CG LYS A 48 -0.668 -16.646 -1.299 1.00 0.00 C ATOM 534 CD LYS A 48 -1.424 -17.980 -1.284 1.00 0.00 C ATOM 535 CE LYS A 48 -2.933 -17.716 -1.303 1.00 0.00 C ATOM 536 NZ LYS A 48 -3.668 -19.004 -1.470 1.00 0.00 N ATOM 0 H LYS A 48 1.149 -15.452 -3.373 1.00 0.00 H new ATOM 0 HA LYS A 48 1.283 -14.962 -0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.123 -17.516 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.103 -17.488 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.953 -16.044 -0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.934 -16.075 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.139 -18.581 -2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.156 -18.552 -0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.238 -17.230 -0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.183 -17.036 -2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.692 -18.820 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.386 -19.451 -2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.440 -19.639 -0.679 1.00 0.00 H new ATOM 550 N LYS A 49 3.823 -15.111 -0.394 1.00 0.00 N ATOM 551 CA LYS A 49 5.282 -15.384 -0.224 1.00 0.00 C ATOM 552 C LYS A 49 5.484 -16.351 0.948 1.00 0.00 C ATOM 553 O LYS A 49 4.884 -16.205 1.999 1.00 0.00 O ATOM 554 CB LYS A 49 6.035 -14.072 0.023 1.00 0.00 C ATOM 555 CG LYS A 49 6.172 -13.308 -1.303 1.00 0.00 C ATOM 556 CD LYS A 49 6.505 -11.833 -1.044 1.00 0.00 C ATOM 557 CE LYS A 49 7.933 -11.705 -0.512 1.00 0.00 C ATOM 558 NZ LYS A 49 8.881 -12.341 -1.470 1.00 0.00 N ATOM 0 H LYS A 49 3.468 -14.305 0.120 1.00 0.00 H new ATOM 0 HA LYS A 49 5.677 -15.840 -1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.500 -13.464 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.020 -14.278 0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.954 -13.762 -1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.244 -13.383 -1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.399 -11.260 -1.965 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.801 -11.414 -0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.188 -10.654 -0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.012 -12.182 0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.827 -11.926 -1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.925 -13.364 -1.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.553 -12.177 -2.443 1.00 0.00 H new ATOM 572 N GLU A 50 6.323 -17.343 0.753 1.00 0.00 N ATOM 573 CA GLU A 50 6.598 -18.364 1.812 1.00 0.00 C ATOM 574 C GLU A 50 5.327 -19.177 2.090 1.00 0.00 C ATOM 575 O GLU A 50 5.036 -19.533 3.214 1.00 0.00 O ATOM 576 CB GLU A 50 7.085 -17.683 3.100 1.00 0.00 C ATOM 577 CG GLU A 50 8.326 -16.841 2.782 1.00 0.00 C ATOM 578 CD GLU A 50 8.812 -16.136 4.051 1.00 0.00 C ATOM 579 OE1 GLU A 50 8.144 -16.255 5.065 1.00 0.00 O ATOM 580 OE2 GLU A 50 9.846 -15.491 3.988 1.00 0.00 O ATOM 0 H GLU A 50 6.838 -17.489 -0.115 1.00 0.00 H new ATOM 0 HA GLU A 50 7.381 -19.035 1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.298 -17.052 3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.322 -18.432 3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.116 -17.477 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.090 -16.105 2.013 1.00 0.00 H new ATOM 587 N GLY A 51 4.584 -19.493 1.057 1.00 0.00 N ATOM 588 CA GLY A 51 3.341 -20.311 1.228 1.00 0.00 C ATOM 589 C GLY A 51 2.545 -19.846 2.450 1.00 0.00 C ATOM 590 O GLY A 51 2.592 -20.456 3.496 1.00 0.00 O ATOM 0 H GLY A 51 4.786 -19.218 0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.722 -20.231 0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.605 -21.363 1.340 1.00 0.00 H new ATOM 594 N VAL A 52 1.815 -18.768 2.326 1.00 0.00 N ATOM 595 CA VAL A 52 1.026 -18.259 3.482 1.00 0.00 C ATOM 596 C VAL A 52 -0.312 -19.005 3.609 1.00 0.00 C ATOM 597 O VAL A 52 -1.052 -19.137 2.654 1.00 0.00 O ATOM 598 CB VAL A 52 0.757 -16.762 3.273 1.00 0.00 C ATOM 599 CG1 VAL A 52 2.008 -16.086 2.711 1.00 0.00 C ATOM 600 CG2 VAL A 52 -0.410 -16.559 2.293 1.00 0.00 C ATOM 0 H VAL A 52 1.733 -18.218 1.471 1.00 0.00 H new ATOM 0 HA VAL A 52 1.595 -18.422 4.397 1.00 0.00 H new ATOM 0 HB VAL A 52 0.498 -16.318 4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.813 -15.024 2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.834 -16.210 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.270 -16.542 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.588 -15.493 2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.162 -17.012 1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.308 -17.028 2.695 1.00 0.00 H new ATOM 610 N LYS A 53 -0.634 -19.458 4.796 1.00 0.00 N ATOM 611 CA LYS A 53 -1.938 -20.163 5.025 1.00 0.00 C ATOM 612 C LYS A 53 -2.830 -19.256 5.871 1.00 0.00 C ATOM 613 O LYS A 53 -3.954 -19.590 6.198 1.00 0.00 O ATOM 614 CB LYS A 53 -1.702 -21.468 5.786 1.00 0.00 C ATOM 615 CG LYS A 53 -0.955 -22.464 4.892 1.00 0.00 C ATOM 616 CD LYS A 53 -0.726 -23.786 5.649 1.00 0.00 C ATOM 617 CE LYS A 53 -1.953 -24.696 5.511 1.00 0.00 C ATOM 618 NZ LYS A 53 -1.938 -25.717 6.597 1.00 0.00 N ATOM 0 H LYS A 53 -0.045 -19.370 5.624 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.407 -20.387 4.067 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.125 -21.273 6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.655 -21.893 6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.528 -22.650 3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.002 -22.042 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.156 -24.291 5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.533 -23.582 6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.866 -24.104 5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.949 -25.185 4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.770 -26.335 6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.072 -26.289 6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.962 -25.241 7.521 1.00 0.00 H new ATOM 632 N GLY A 54 -2.318 -18.116 6.238 1.00 0.00 N ATOM 633 CA GLY A 54 -3.094 -17.166 7.080 1.00 0.00 C ATOM 634 C GLY A 54 -2.111 -16.242 7.796 1.00 0.00 C ATOM 635 O GLY A 54 -2.439 -15.605 8.781 1.00 0.00 O ATOM 0 H GLY A 54 -1.382 -17.798 5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.780 -16.585 6.463 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.700 -17.710 7.805 1.00 0.00 H new ATOM 639 N GLY A 55 -0.898 -16.172 7.307 1.00 0.00 N ATOM 640 CA GLY A 55 0.124 -15.295 7.952 1.00 0.00 C ATOM 641 C GLY A 55 1.410 -15.293 7.117 1.00 0.00 C ATOM 642 O GLY A 55 1.392 -15.025 5.934 1.00 0.00 O ATOM 0 H GLY A 55 -0.572 -16.685 6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.262 -14.280 8.045 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.335 -15.649 8.961 1.00 0.00 H new ATOM 646 N LYS A 56 2.527 -15.580 7.728 1.00 0.00 N ATOM 647 CA LYS A 56 3.822 -15.593 6.979 1.00 0.00 C ATOM 648 C LYS A 56 3.967 -14.302 6.162 1.00 0.00 C ATOM 649 O LYS A 56 3.641 -13.231 6.633 1.00 0.00 O ATOM 650 CB LYS A 56 3.883 -16.821 6.069 1.00 0.00 C ATOM 651 CG LYS A 56 3.964 -18.088 6.923 1.00 0.00 C ATOM 652 CD LYS A 56 4.303 -19.275 6.020 1.00 0.00 C ATOM 653 CE LYS A 56 4.115 -20.595 6.776 1.00 0.00 C ATOM 654 NZ LYS A 56 2.700 -21.035 6.647 1.00 0.00 N ATOM 0 H LYS A 56 2.601 -15.808 8.719 1.00 0.00 H new ATOM 0 HA LYS A 56 4.649 -15.646 7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.001 -16.857 5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.750 -16.757 5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.724 -17.973 7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.016 -18.261 7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.665 -19.261 5.136 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.332 -19.192 5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.783 -21.357 6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.374 -20.466 7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.617 -22.028 6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.095 -20.440 7.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.397 -20.945 5.656 1.00 0.00 H new ATOM 668 N ALA A 57 4.477 -14.379 4.951 1.00 0.00 N ATOM 669 CA ALA A 57 4.668 -13.136 4.130 1.00 0.00 C ATOM 670 C ALA A 57 3.578 -13.015 3.061 1.00 0.00 C ATOM 671 O ALA A 57 3.602 -13.697 2.059 1.00 0.00 O ATOM 672 CB ALA A 57 6.034 -13.204 3.444 1.00 0.00 C ATOM 0 H ALA A 57 4.768 -15.245 4.498 1.00 0.00 H new ATOM 0 HA ALA A 57 4.609 -12.268 4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.185 -12.306 2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.817 -13.272 4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.074 -14.082 2.799 1.00 0.00 H new ATOM 678 N VAL A 58 2.643 -12.122 3.259 1.00 0.00 N ATOM 679 CA VAL A 58 1.548 -11.904 2.257 1.00 0.00 C ATOM 680 C VAL A 58 1.547 -10.418 1.887 1.00 0.00 C ATOM 681 O VAL A 58 1.628 -9.566 2.751 1.00 0.00 O ATOM 682 CB VAL A 58 0.198 -12.306 2.877 1.00 0.00 C ATOM 683 CG1 VAL A 58 0.105 -11.767 4.305 1.00 0.00 C ATOM 684 CG2 VAL A 58 -0.956 -11.733 2.041 1.00 0.00 C ATOM 0 H VAL A 58 2.588 -11.524 4.084 1.00 0.00 H new ATOM 0 HA VAL A 58 1.707 -12.510 1.365 1.00 0.00 H new ATOM 0 HB VAL A 58 0.126 -13.394 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.852 -12.054 4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.915 -12.182 4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.186 -10.680 4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.907 -12.023 2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.883 -10.646 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.898 -12.123 1.025 1.00 0.00 H new ATOM 694 N GLU A 59 1.491 -10.099 0.611 1.00 0.00 N ATOM 695 CA GLU A 59 1.525 -8.653 0.191 1.00 0.00 C ATOM 696 C GLU A 59 0.383 -8.323 -0.772 1.00 0.00 C ATOM 697 O GLU A 59 -0.088 -9.159 -1.526 1.00 0.00 O ATOM 698 CB GLU A 59 2.859 -8.370 -0.503 1.00 0.00 C ATOM 699 CG GLU A 59 3.996 -8.469 0.516 1.00 0.00 C ATOM 700 CD GLU A 59 5.334 -8.191 -0.177 1.00 0.00 C ATOM 701 OE1 GLU A 59 5.872 -9.110 -0.776 1.00 0.00 O ATOM 702 OE2 GLU A 59 5.799 -7.067 -0.093 1.00 0.00 O ATOM 0 H GLU A 59 1.424 -10.771 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 59 1.411 -8.034 1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.019 -9.083 -1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.844 -7.377 -0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.838 -7.754 1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.008 -9.461 0.967 1.00 0.00 H new ATOM 709 N TYR A 60 -0.056 -7.085 -0.736 1.00 0.00 N ATOM 710 CA TYR A 60 -1.166 -6.612 -1.618 1.00 0.00 C ATOM 711 C TYR A 60 -0.677 -5.401 -2.425 1.00 0.00 C ATOM 712 O TYR A 60 -0.020 -4.523 -1.899 1.00 0.00 O ATOM 713 CB TYR A 60 -2.327 -6.173 -0.729 1.00 0.00 C ATOM 714 CG TYR A 60 -3.030 -7.386 -0.178 1.00 0.00 C ATOM 715 CD1 TYR A 60 -4.060 -7.967 -0.915 1.00 0.00 C ATOM 716 CD2 TYR A 60 -2.660 -7.926 1.061 1.00 0.00 C ATOM 717 CE1 TYR A 60 -4.726 -9.087 -0.420 1.00 0.00 C ATOM 718 CE2 TYR A 60 -3.330 -9.052 1.557 1.00 0.00 C ATOM 719 CZ TYR A 60 -4.365 -9.631 0.813 1.00 0.00 C ATOM 720 OH TYR A 60 -5.031 -10.737 1.290 1.00 0.00 O ATOM 0 H TYR A 60 0.320 -6.368 -0.116 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.481 -7.407 -2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.958 -5.552 0.087 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.026 -5.564 -1.302 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.342 -7.549 -1.870 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.861 -7.476 1.632 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.524 -9.535 -0.993 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.049 -9.472 2.511 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.589 -11.059 2.103 1.00 0.00 H new ATOM 730 N ASP A 61 -0.997 -5.333 -3.692 1.00 0.00 N ATOM 731 CA ASP A 61 -0.553 -4.163 -4.518 1.00 0.00 C ATOM 732 C ASP A 61 -1.649 -3.096 -4.504 1.00 0.00 C ATOM 733 O ASP A 61 -2.701 -3.282 -5.079 1.00 0.00 O ATOM 734 CB ASP A 61 -0.314 -4.612 -5.961 1.00 0.00 C ATOM 735 CG ASP A 61 0.266 -3.446 -6.765 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.147 -2.320 -6.308 1.00 0.00 O ATOM 737 OD2 ASP A 61 0.817 -3.697 -7.822 1.00 0.00 O ATOM 0 H ASP A 61 -1.545 -6.033 -4.192 1.00 0.00 H new ATOM 0 HA ASP A 61 0.370 -3.757 -4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.372 -5.459 -5.981 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.249 -4.948 -6.409 1.00 0.00 H new ATOM 742 N VAL A 62 -1.420 -1.984 -3.853 1.00 0.00 N ATOM 743 CA VAL A 62 -2.460 -0.913 -3.799 1.00 0.00 C ATOM 744 C VAL A 62 -2.727 -0.346 -5.202 1.00 0.00 C ATOM 745 O VAL A 62 -3.832 0.053 -5.514 1.00 0.00 O ATOM 746 CB VAL A 62 -1.980 0.211 -2.868 1.00 0.00 C ATOM 747 CG1 VAL A 62 -2.972 1.381 -2.893 1.00 0.00 C ATOM 748 CG2 VAL A 62 -1.869 -0.327 -1.436 1.00 0.00 C ATOM 0 H VAL A 62 -0.555 -1.771 -3.355 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.388 -1.339 -3.418 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.006 0.562 -3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.620 2.171 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.051 1.769 -3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.950 1.036 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.529 0.469 -0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.844 -0.683 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.155 -1.150 -1.411 1.00 0.00 H new ATOM 758 N MET A 63 -1.729 -0.275 -6.041 1.00 0.00 N ATOM 759 CA MET A 63 -1.950 0.304 -7.400 1.00 0.00 C ATOM 760 C MET A 63 -2.820 -0.636 -8.241 1.00 0.00 C ATOM 761 O MET A 63 -2.921 -0.483 -9.441 1.00 0.00 O ATOM 762 CB MET A 63 -0.602 0.513 -8.101 1.00 0.00 C ATOM 763 CG MET A 63 0.263 1.469 -7.275 1.00 0.00 C ATOM 764 SD MET A 63 -0.452 3.136 -7.318 1.00 0.00 S ATOM 765 CE MET A 63 0.312 3.691 -8.863 1.00 0.00 C ATOM 0 H MET A 63 -0.778 -0.589 -5.848 1.00 0.00 H new ATOM 0 HA MET A 63 -2.459 1.262 -7.294 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.092 -0.442 -8.222 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.759 0.920 -9.100 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.328 1.118 -6.245 1.00 0.00 H new ATOM 0 HG3 MET A 63 1.279 1.489 -7.670 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.012 4.718 -9.069 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.397 3.642 -8.771 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.012 3.048 -9.681 1.00 0.00 H new ATOM 775 N SER A 64 -3.457 -1.601 -7.617 1.00 0.00 N ATOM 776 CA SER A 64 -4.338 -2.557 -8.372 1.00 0.00 C ATOM 777 C SER A 64 -5.801 -2.349 -7.961 1.00 0.00 C ATOM 778 O SER A 64 -6.711 -2.646 -8.709 1.00 0.00 O ATOM 779 CB SER A 64 -3.929 -3.996 -8.051 1.00 0.00 C ATOM 780 OG SER A 64 -4.602 -4.886 -8.934 1.00 0.00 O ATOM 0 H SER A 64 -3.405 -1.769 -6.612 1.00 0.00 H new ATOM 0 HA SER A 64 -4.228 -2.373 -9.441 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.850 -4.111 -8.154 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.178 -4.235 -7.017 1.00 0.00 H new ATOM 0 HG SER A 64 -4.029 -5.659 -9.119 1.00 0.00 H new ATOM 786 N MET A 65 -6.038 -1.829 -6.785 1.00 0.00 N ATOM 787 CA MET A 65 -7.445 -1.594 -6.338 1.00 0.00 C ATOM 788 C MET A 65 -7.966 -0.302 -6.978 1.00 0.00 C ATOM 789 O MET A 65 -7.195 0.594 -7.255 1.00 0.00 O ATOM 790 CB MET A 65 -7.480 -1.454 -4.815 1.00 0.00 C ATOM 791 CG MET A 65 -7.042 -2.770 -4.171 1.00 0.00 C ATOM 792 SD MET A 65 -5.260 -2.967 -4.397 1.00 0.00 S ATOM 793 CE MET A 65 -5.033 -4.395 -3.310 1.00 0.00 C ATOM 0 H MET A 65 -5.319 -1.557 -6.114 1.00 0.00 H new ATOM 0 HA MET A 65 -8.070 -2.434 -6.640 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.821 -0.645 -4.498 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.486 -1.193 -4.486 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.290 -2.771 -3.110 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.574 -3.607 -4.624 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.973 -4.641 -3.249 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.408 -4.158 -2.315 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.581 -5.248 -3.711 1.00 0.00 H new ATOM 803 N PRO A 66 -9.259 -0.182 -7.205 1.00 0.00 N ATOM 804 CA PRO A 66 -9.838 1.053 -7.805 1.00 0.00 C ATOM 805 C PRO A 66 -9.185 2.316 -7.238 1.00 0.00 C ATOM 806 O PRO A 66 -8.483 2.273 -6.249 1.00 0.00 O ATOM 807 CB PRO A 66 -11.315 0.975 -7.417 1.00 0.00 C ATOM 808 CG PRO A 66 -11.613 -0.491 -7.360 1.00 0.00 C ATOM 809 CD PRO A 66 -10.309 -1.189 -6.928 1.00 0.00 C ATOM 0 HA PRO A 66 -9.680 1.110 -8.882 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.498 1.455 -6.455 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.945 1.479 -8.150 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.415 -0.696 -6.651 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.945 -0.857 -8.332 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.332 -1.462 -5.873 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.141 -2.107 -7.491 1.00 0.00 H new ATOM 817 N THR A 67 -9.403 3.437 -7.858 1.00 0.00 N ATOM 818 CA THR A 67 -8.784 4.690 -7.361 1.00 0.00 C ATOM 819 C THR A 67 -9.410 5.099 -6.021 1.00 0.00 C ATOM 820 O THR A 67 -8.761 5.688 -5.184 1.00 0.00 O ATOM 821 CB THR A 67 -8.987 5.794 -8.400 1.00 0.00 C ATOM 822 OG1 THR A 67 -10.349 5.817 -8.810 1.00 0.00 O ATOM 823 CG2 THR A 67 -8.087 5.528 -9.611 1.00 0.00 C ATOM 0 H THR A 67 -9.985 3.539 -8.690 1.00 0.00 H new ATOM 0 HA THR A 67 -7.717 4.530 -7.204 1.00 0.00 H new ATOM 0 HB THR A 67 -8.727 6.758 -7.962 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.479 6.526 -9.474 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.232 6.315 -10.352 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.044 5.516 -9.294 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.344 4.564 -10.051 1.00 0.00 H new ATOM 831 N LYS A 68 -10.665 4.806 -5.803 1.00 0.00 N ATOM 832 CA LYS A 68 -11.300 5.206 -4.511 1.00 0.00 C ATOM 833 C LYS A 68 -10.550 4.588 -3.323 1.00 0.00 C ATOM 834 O LYS A 68 -10.179 5.277 -2.395 1.00 0.00 O ATOM 835 CB LYS A 68 -12.753 4.724 -4.489 1.00 0.00 C ATOM 836 CG LYS A 68 -13.585 5.537 -5.491 1.00 0.00 C ATOM 837 CD LYS A 68 -14.947 4.861 -5.730 1.00 0.00 C ATOM 838 CE LYS A 68 -15.892 5.139 -4.556 1.00 0.00 C ATOM 839 NZ LYS A 68 -16.104 6.608 -4.425 1.00 0.00 N ATOM 0 H LYS A 68 -11.273 4.312 -6.456 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.261 6.292 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.798 3.664 -4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.167 4.832 -3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.735 6.548 -5.113 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.045 5.626 -6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.387 5.232 -6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.811 3.786 -5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.846 4.636 -4.716 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.471 4.738 -3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.050 6.789 -4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.384 7.007 -3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.025 7.055 -5.361 1.00 0.00 H new ATOM 853 N GLU A 69 -10.309 3.304 -3.336 1.00 0.00 N ATOM 854 CA GLU A 69 -9.573 2.685 -2.191 1.00 0.00 C ATOM 855 C GLU A 69 -8.121 3.171 -2.178 1.00 0.00 C ATOM 856 O GLU A 69 -7.554 3.432 -1.135 1.00 0.00 O ATOM 857 CB GLU A 69 -9.593 1.158 -2.301 1.00 0.00 C ATOM 858 CG GLU A 69 -10.985 0.627 -1.954 1.00 0.00 C ATOM 859 CD GLU A 69 -11.018 -0.887 -2.174 1.00 0.00 C ATOM 860 OE1 GLU A 69 -9.969 -1.450 -2.442 1.00 0.00 O ATOM 861 OE2 GLU A 69 -12.092 -1.460 -2.072 1.00 0.00 O ATOM 0 H GLU A 69 -10.585 2.662 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.067 2.982 -1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.320 0.854 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.852 0.727 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.228 0.861 -0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.737 1.113 -2.575 1.00 0.00 H new ATOM 868 N ARG A 70 -7.512 3.287 -3.327 1.00 0.00 N ATOM 869 CA ARG A 70 -6.092 3.744 -3.380 1.00 0.00 C ATOM 870 C ARG A 70 -5.976 5.141 -2.761 1.00 0.00 C ATOM 871 O ARG A 70 -5.088 5.410 -1.976 1.00 0.00 O ATOM 872 CB ARG A 70 -5.631 3.789 -4.845 1.00 0.00 C ATOM 873 CG ARG A 70 -4.157 4.295 -4.945 1.00 0.00 C ATOM 874 CD ARG A 70 -4.089 5.729 -5.514 1.00 0.00 C ATOM 875 NE ARG A 70 -2.791 5.931 -6.235 1.00 0.00 N ATOM 876 CZ ARG A 70 -1.643 5.675 -5.666 1.00 0.00 C ATOM 877 NH1 ARG A 70 -1.582 5.372 -4.398 1.00 0.00 N ATOM 878 NH2 ARG A 70 -0.544 5.778 -6.361 1.00 0.00 N ATOM 0 H ARG A 70 -7.936 3.085 -4.232 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.464 3.052 -2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.710 2.796 -5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.286 4.446 -5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.695 4.272 -3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.582 3.622 -5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.923 5.899 -6.194 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.183 6.455 -4.706 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.804 6.277 -7.194 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.436 5.333 -3.841 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.681 5.174 -3.964 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.585 6.057 -7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.356 5.580 -5.924 1.00 0.00 H new ATOM 892 N GLU A 71 -6.870 6.024 -3.102 1.00 0.00 N ATOM 893 CA GLU A 71 -6.823 7.397 -2.524 1.00 0.00 C ATOM 894 C GLU A 71 -6.970 7.322 -1.001 1.00 0.00 C ATOM 895 O GLU A 71 -6.325 8.046 -0.268 1.00 0.00 O ATOM 896 CB GLU A 71 -7.958 8.237 -3.120 1.00 0.00 C ATOM 897 CG GLU A 71 -7.646 8.547 -4.587 1.00 0.00 C ATOM 898 CD GLU A 71 -8.789 9.361 -5.199 1.00 0.00 C ATOM 899 OE1 GLU A 71 -9.816 9.490 -4.551 1.00 0.00 O ATOM 900 OE2 GLU A 71 -8.615 9.843 -6.305 1.00 0.00 O ATOM 0 H GLU A 71 -7.633 5.855 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.867 7.862 -2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.902 7.698 -3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.073 9.164 -2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.711 9.103 -4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.509 7.620 -5.143 1.00 0.00 H new ATOM 907 N GLN A 72 -7.823 6.462 -0.517 1.00 0.00 N ATOM 908 CA GLN A 72 -8.023 6.353 0.957 1.00 0.00 C ATOM 909 C GLN A 72 -6.727 5.907 1.637 1.00 0.00 C ATOM 910 O GLN A 72 -6.414 6.338 2.727 1.00 0.00 O ATOM 911 CB GLN A 72 -9.120 5.328 1.244 1.00 0.00 C ATOM 912 CG GLN A 72 -10.474 5.888 0.810 1.00 0.00 C ATOM 913 CD GLN A 72 -11.551 4.826 1.037 1.00 0.00 C ATOM 914 OE1 GLN A 72 -11.190 3.605 1.325 1.00 0.00 O flip ATOM 915 NE2 GLN A 72 -12.730 5.107 0.946 1.00 0.00 N flip ATOM 0 H GLN A 72 -8.392 5.829 -1.079 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.312 7.329 1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.912 4.400 0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.138 5.089 2.307 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.708 6.788 1.378 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.443 6.174 -0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.011 6.061 0.721 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.438 4.388 1.095 1.00 0.00 H new ATOM 924 N VAL A 73 -5.976 5.038 1.019 1.00 0.00 N ATOM 925 CA VAL A 73 -4.712 4.569 1.658 1.00 0.00 C ATOM 926 C VAL A 73 -3.725 5.740 1.745 1.00 0.00 C ATOM 927 O VAL A 73 -3.140 5.992 2.780 1.00 0.00 O ATOM 928 CB VAL A 73 -4.108 3.437 0.815 1.00 0.00 C ATOM 929 CG1 VAL A 73 -2.695 3.109 1.309 1.00 0.00 C ATOM 930 CG2 VAL A 73 -4.985 2.190 0.940 1.00 0.00 C ATOM 0 H VAL A 73 -6.180 4.634 0.105 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.919 4.198 2.662 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.059 3.756 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.276 2.305 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.065 3.994 1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.738 2.794 2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.559 1.384 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.032 1.882 1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.990 2.415 0.582 1.00 0.00 H new ATOM 940 N ILE A 74 -3.531 6.455 0.674 1.00 0.00 N ATOM 941 CA ILE A 74 -2.579 7.599 0.714 1.00 0.00 C ATOM 942 C ILE A 74 -3.083 8.641 1.721 1.00 0.00 C ATOM 943 O ILE A 74 -2.318 9.211 2.472 1.00 0.00 O ATOM 944 CB ILE A 74 -2.482 8.233 -0.676 1.00 0.00 C ATOM 945 CG1 ILE A 74 -1.999 7.181 -1.694 1.00 0.00 C ATOM 946 CG2 ILE A 74 -1.495 9.407 -0.639 1.00 0.00 C ATOM 947 CD1 ILE A 74 -0.646 6.580 -1.282 1.00 0.00 C ATOM 0 H ILE A 74 -3.988 6.298 -0.224 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.594 7.245 1.017 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.465 8.598 -0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.741 6.387 -1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.910 7.640 -2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.427 9.857 -1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.843 10.153 0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.512 9.046 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.335 5.842 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.101 7.372 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.743 6.099 -0.309 1.00 0.00 H new ATOM 959 N ALA A 75 -4.368 8.892 1.745 1.00 0.00 N ATOM 960 CA ALA A 75 -4.916 9.902 2.703 1.00 0.00 C ATOM 961 C ALA A 75 -4.586 9.478 4.138 1.00 0.00 C ATOM 962 O ALA A 75 -4.260 10.297 4.977 1.00 0.00 O ATOM 963 CB ALA A 75 -6.437 10.003 2.533 1.00 0.00 C ATOM 0 H ALA A 75 -5.060 8.443 1.145 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.466 10.874 2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.833 10.739 3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.670 10.309 1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.891 9.032 2.733 1.00 0.00 H new ATOM 969 N HIS A 76 -4.657 8.207 4.428 1.00 0.00 N ATOM 970 CA HIS A 76 -4.335 7.740 5.808 1.00 0.00 C ATOM 971 C HIS A 76 -2.887 8.117 6.126 1.00 0.00 C ATOM 972 O HIS A 76 -2.562 8.496 7.231 1.00 0.00 O ATOM 973 CB HIS A 76 -4.500 6.225 5.906 1.00 0.00 C ATOM 974 CG HIS A 76 -4.213 5.787 7.318 1.00 0.00 C ATOM 975 ND1 HIS A 76 -3.036 5.603 8.002 1.00 0.00 N flip ATOM 976 CD2 HIS A 76 -5.223 5.488 8.219 1.00 0.00 C flip ATOM 977 CE1 HIS A 76 -3.309 5.199 9.305 1.00 0.00 C flip ATOM 978 NE2 HIS A 76 -4.641 5.145 9.383 1.00 0.00 N flip ATOM 0 H HIS A 76 -4.923 7.473 3.771 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.013 8.211 6.519 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.513 5.938 5.622 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.822 5.727 5.213 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.284 5.524 8.023 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -2.597 4.977 10.086 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.155 4.877 10.222 1.00 0.00 H new ATOM 986 N LEU A 77 -2.011 8.009 5.169 1.00 0.00 N ATOM 987 CA LEU A 77 -0.589 8.373 5.419 1.00 0.00 C ATOM 988 C LEU A 77 -0.416 9.880 5.206 1.00 0.00 C ATOM 989 O LEU A 77 0.581 10.454 5.594 1.00 0.00 O ATOM 990 CB LEU A 77 0.308 7.625 4.430 1.00 0.00 C ATOM 991 CG LEU A 77 0.140 6.110 4.605 1.00 0.00 C ATOM 992 CD1 LEU A 77 0.781 5.392 3.412 1.00 0.00 C ATOM 993 CD2 LEU A 77 0.820 5.640 5.900 1.00 0.00 C ATOM 0 H LEU A 77 -2.217 7.685 4.224 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.315 8.105 6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.054 7.911 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.350 7.904 4.590 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.923 5.876 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.665 4.315 3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.293 5.710 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.841 5.640 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.691 4.563 6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.883 5.876 5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.369 6.147 6.753 1.00 0.00 H new ATOM 1005 N GLY A 78 -1.375 10.521 4.574 1.00 0.00 N ATOM 1006 CA GLY A 78 -1.272 11.993 4.310 1.00 0.00 C ATOM 1007 C GLY A 78 -2.559 12.708 4.740 1.00 0.00 C ATOM 1008 O GLY A 78 -3.058 13.572 4.045 1.00 0.00 O ATOM 0 H GLY A 78 -2.229 10.083 4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.421 12.407 4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.090 12.166 3.249 1.00 0.00 H new ATOM 1012 N LEU A 79 -3.094 12.366 5.882 1.00 0.00 N ATOM 1013 CA LEU A 79 -4.342 13.037 6.361 1.00 0.00 C ATOM 1014 C LEU A 79 -3.967 14.287 7.166 1.00 0.00 C ATOM 1015 O LEU A 79 -4.819 15.045 7.585 1.00 0.00 O ATOM 1016 CB LEU A 79 -5.142 12.070 7.256 1.00 0.00 C ATOM 1017 CG LEU A 79 -4.197 11.126 8.006 1.00 0.00 C ATOM 1018 CD1 LEU A 79 -3.160 11.931 8.805 1.00 0.00 C ATOM 1019 CD2 LEU A 79 -5.019 10.262 8.967 1.00 0.00 C ATOM 0 H LEU A 79 -2.721 11.650 6.506 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.953 13.321 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.741 12.637 7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.836 11.491 6.646 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.673 10.496 7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.496 11.246 9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.576 12.550 8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.671 12.568 9.526 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.356 9.586 9.506 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.540 10.903 9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.747 9.681 8.401 1.00 0.00 H new ATOM 1031 N SER A 80 -2.700 14.502 7.388 1.00 0.00 N ATOM 1032 CA SER A 80 -2.267 15.696 8.169 1.00 0.00 C ATOM 1033 C SER A 80 -0.748 15.803 8.112 1.00 0.00 C ATOM 1034 O SER A 80 -0.139 16.558 8.842 1.00 0.00 O ATOM 1035 CB SER A 80 -2.712 15.546 9.625 1.00 0.00 C ATOM 1036 OG SER A 80 -2.431 16.750 10.326 1.00 0.00 O ATOM 0 H SER A 80 -1.943 13.901 7.062 1.00 0.00 H new ATOM 0 HA SER A 80 -2.717 16.594 7.746 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.778 15.325 9.671 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.193 14.709 10.092 1.00 0.00 H new ATOM 0 HG SER A 80 -1.505 17.020 10.154 1.00 0.00 H new ATOM 1042 N THR A 81 -0.133 15.053 7.248 1.00 0.00 N ATOM 1043 CA THR A 81 1.346 15.108 7.135 1.00 0.00 C ATOM 1044 C THR A 81 1.788 16.568 6.971 1.00 0.00 C ATOM 1045 O THR A 81 2.455 17.120 7.821 1.00 0.00 O ATOM 1046 CB THR A 81 1.778 14.285 5.915 1.00 0.00 C ATOM 1047 OG1 THR A 81 0.805 14.422 4.888 1.00 0.00 O ATOM 1048 CG2 THR A 81 1.908 12.810 6.299 1.00 0.00 C ATOM 0 H THR A 81 -0.593 14.401 6.612 1.00 0.00 H new ATOM 0 HA THR A 81 1.809 14.698 8.032 1.00 0.00 H new ATOM 0 HB THR A 81 2.743 14.648 5.560 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.037 13.837 4.137 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.215 12.233 5.427 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.655 12.703 7.086 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.947 12.441 6.658 1.00 0.00 H new TER 1056 THR A 81