USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 580 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 6 ASN : amide:sc= -0.959! C(o=0.12!,f=-15!) USER MOD Set 1.2: A 8 LYS NZ :NH3+ 162:sc= 1.08 (180deg=1.23) USER MOD Set 2.1: A 2 ASN : amide:sc= 0.905 K(o=2,f=-0.84) USER MOD Set 2.2: A 11 THR OG1 : rot -71:sc= 1.07 USER MOD Single : A 1 MET CE :methyl -132:sc= -0.73 (180deg=-4.83!) USER MOD Single : A 1 MET N :NH3+ -117:sc= 1.96 (180deg=-1.03!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0328 USER MOD Single : A 17 SER OG : rot 43:sc= 0.738 USER MOD Single : A 19 ASN :FLIP amide:sc= -3.41 F(o=-4.2!,f=-3.4) USER MOD Single : A 21 THR OG1 : rot -160:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.625 K(o=0.62,f=-0.89) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -1.36 F(o=-3.9!,f=-1.4) USER MOD Single : A 52 THR OG1 : rot 75:sc= 0.506 USER MOD Single : A 53 THR OG1 : rot 36:sc= 0.555 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -162:sc= -0.166 (180deg=-0.666) USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= -0.0489 (180deg=-0.27) USER MOD Single : A 73 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=-0.49) USER MOD Single : A 78 HIS : no HE2:sc= -0.434 K(o=-0.43,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.586 -11.258 -2.676 1.00 33.05 N ATOM 2 CA MET A 1 -2.948 -10.997 -1.356 1.00 1.44 C ATOM 3 C MET A 1 -3.337 -9.617 -0.805 1.00 53.42 C ATOM 4 O MET A 1 -3.868 -8.775 -1.534 1.00 44.23 O ATOM 5 CB MET A 1 -1.420 -11.101 -1.473 1.00 52.41 C ATOM 6 CG MET A 1 -0.790 -10.059 -2.392 1.00 2.31 C ATOM 7 SD MET A 1 0.970 -10.353 -2.653 1.00 21.24 S ATOM 8 CE MET A 1 1.385 -9.040 -3.801 1.00 74.04 C ATOM 0 H1 MET A 1 -4.227 -12.073 -2.597 1.00 33.05 H new ATOM 0 H2 MET A 1 -4.126 -10.420 -2.972 1.00 33.05 H new ATOM 0 H3 MET A 1 -2.851 -11.463 -3.382 1.00 33.05 H new ATOM 0 HA MET A 1 -3.309 -11.753 -0.659 1.00 1.44 H new ATOM 0 HB2 MET A 1 -0.983 -11.004 -0.479 1.00 52.41 H new ATOM 0 HB3 MET A 1 -1.162 -12.095 -1.839 1.00 52.41 H new ATOM 0 HG2 MET A 1 -1.304 -10.067 -3.353 1.00 2.31 H new ATOM 0 HG3 MET A 1 -0.931 -9.067 -1.963 1.00 2.31 H new ATOM 0 HE1 MET A 1 1.958 -9.451 -4.632 1.00 74.04 H new ATOM 0 HE2 MET A 1 0.470 -8.586 -4.180 1.00 74.04 H new ATOM 0 HE3 MET A 1 1.980 -8.284 -3.289 1.00 74.04 H new ATOM 20 N ASN A 2 -3.064 -9.391 0.479 1.00 74.14 N ATOM 21 CA ASN A 2 -3.349 -8.101 1.125 1.00 43.43 C ATOM 22 C ASN A 2 -2.159 -7.140 0.988 1.00 33.52 C ATOM 23 O ASN A 2 -1.021 -7.513 1.252 1.00 54.44 O ATOM 24 CB ASN A 2 -3.658 -8.312 2.612 1.00 73.22 C ATOM 25 CG ASN A 2 -4.803 -9.278 2.837 1.00 61.15 C ATOM 26 OD1 ASN A 2 -5.716 -9.381 2.028 1.00 34.52 O ATOM 27 ND2 ASN A 2 -4.759 -9.992 3.939 1.00 2.43 N ATOM 0 H ASN A 2 -2.644 -10.084 1.098 1.00 74.14 H new ATOM 0 HA ASN A 2 -4.214 -7.662 0.627 1.00 43.43 H new ATOM 0 HB2 ASN A 2 -2.767 -8.687 3.115 1.00 73.22 H new ATOM 0 HB3 ASN A 2 -3.902 -7.353 3.068 1.00 73.22 H new ATOM 0 HD21 ASN A 2 -5.502 -10.660 4.144 1.00 2.43 H new ATOM 0 HD22 ASN A 2 -3.982 -9.878 4.590 1.00 2.43 H new ATOM 34 N LEU A 3 -2.427 -5.905 0.580 1.00 2.12 N ATOM 35 CA LEU A 3 -1.373 -4.891 0.434 1.00 24.11 C ATOM 36 C LEU A 3 -1.816 -3.539 1.003 1.00 14.22 C ATOM 37 O LEU A 3 -2.911 -3.057 0.712 1.00 21.53 O ATOM 38 CB LEU A 3 -0.995 -4.719 -1.045 1.00 52.11 C ATOM 39 CG LEU A 3 -0.330 -5.931 -1.713 1.00 11.04 C ATOM 40 CD1 LEU A 3 -0.127 -5.675 -3.204 1.00 64.33 C ATOM 41 CD2 LEU A 3 0.997 -6.261 -1.030 1.00 31.44 C ATOM 0 H LEU A 3 -3.363 -5.575 0.343 1.00 2.12 H new ATOM 0 HA LEU A 3 -0.506 -5.238 0.995 1.00 24.11 H new ATOM 0 HB2 LEU A 3 -1.897 -4.470 -1.604 1.00 52.11 H new ATOM 0 HB3 LEU A 3 -0.321 -3.866 -1.131 1.00 52.11 H new ATOM 0 HG LEU A 3 -0.990 -6.792 -1.603 1.00 11.04 H new ATOM 0 HD11 LEU A 3 0.345 -6.544 -3.661 1.00 64.33 H new ATOM 0 HD12 LEU A 3 -1.092 -5.496 -3.677 1.00 64.33 H new ATOM 0 HD13 LEU A 3 0.511 -4.802 -3.340 1.00 64.33 H new ATOM 0 HD21 LEU A 3 1.453 -7.123 -1.518 1.00 31.44 H new ATOM 0 HD22 LEU A 3 1.668 -5.405 -1.105 1.00 31.44 H new ATOM 0 HD23 LEU A 3 0.818 -6.491 0.020 1.00 31.44 H new ATOM 53 N THR A 4 -0.968 -2.933 1.824 1.00 4.54 N ATOM 54 CA THR A 4 -1.203 -1.569 2.299 1.00 53.12 C ATOM 55 C THR A 4 -0.743 -0.556 1.241 1.00 61.22 C ATOM 56 O THR A 4 0.417 -0.141 1.214 1.00 52.01 O ATOM 57 CB THR A 4 -0.480 -1.298 3.644 1.00 2.45 C ATOM 58 OG1 THR A 4 -0.912 -2.248 4.632 1.00 72.02 O ATOM 59 CG2 THR A 4 -0.756 0.113 4.158 1.00 0.02 C ATOM 0 H THR A 4 -0.112 -3.361 2.176 1.00 4.54 H new ATOM 0 HA THR A 4 -2.274 -1.456 2.468 1.00 53.12 H new ATOM 0 HB THR A 4 0.591 -1.398 3.467 1.00 2.45 H new ATOM 0 HG1 THR A 4 -0.450 -2.072 5.478 1.00 72.02 H new ATOM 0 HG21 THR A 4 -0.233 0.265 5.102 1.00 0.02 H new ATOM 0 HG22 THR A 4 -0.405 0.842 3.427 1.00 0.02 H new ATOM 0 HG23 THR A 4 -1.827 0.241 4.313 1.00 0.02 H new ATOM 67 N VAL A 5 -1.653 -0.197 0.344 1.00 11.51 N ATOM 68 CA VAL A 5 -1.343 0.707 -0.764 1.00 54.33 C ATOM 69 C VAL A 5 -1.478 2.179 -0.346 1.00 23.42 C ATOM 70 O VAL A 5 -2.547 2.618 0.078 1.00 74.42 O ATOM 71 CB VAL A 5 -2.277 0.439 -1.969 1.00 41.25 C ATOM 72 CG1 VAL A 5 -1.899 1.315 -3.162 1.00 21.41 C ATOM 73 CG2 VAL A 5 -2.258 -1.042 -2.348 1.00 55.23 C ATOM 0 H VAL A 5 -2.620 -0.520 0.360 1.00 11.51 H new ATOM 0 HA VAL A 5 -0.309 0.515 -1.051 1.00 54.33 H new ATOM 0 HB VAL A 5 -3.293 0.700 -1.674 1.00 41.25 H new ATOM 0 HG11 VAL A 5 -2.571 1.106 -3.994 1.00 21.41 H new ATOM 0 HG12 VAL A 5 -1.982 2.365 -2.883 1.00 21.41 H new ATOM 0 HG13 VAL A 5 -0.873 1.099 -3.461 1.00 21.41 H new ATOM 0 HG21 VAL A 5 -2.921 -1.209 -3.197 1.00 55.23 H new ATOM 0 HG22 VAL A 5 -1.243 -1.336 -2.617 1.00 55.23 H new ATOM 0 HG23 VAL A 5 -2.596 -1.639 -1.501 1.00 55.23 H new ATOM 83 N ASN A 6 -0.381 2.933 -0.449 1.00 13.33 N ATOM 84 CA ASN A 6 -0.392 4.379 -0.164 1.00 72.53 C ATOM 85 C ASN A 6 -0.767 4.668 1.308 1.00 51.05 C ATOM 86 O ASN A 6 -1.220 5.761 1.646 1.00 33.35 O ATOM 87 CB ASN A 6 -1.380 5.084 -1.108 1.00 11.22 C ATOM 88 CG ASN A 6 -1.085 6.564 -1.264 1.00 4.33 C ATOM 89 OD1 ASN A 6 -1.571 7.394 -0.505 1.00 33.40 O ATOM 90 ND2 ASN A 6 -0.287 6.904 -2.252 1.00 55.12 N ATOM 0 H ASN A 6 0.530 2.570 -0.728 1.00 13.33 H new ATOM 0 HA ASN A 6 0.614 4.764 -0.330 1.00 72.53 H new ATOM 0 HB2 ASN A 6 -1.345 4.606 -2.087 1.00 11.22 H new ATOM 0 HB3 ASN A 6 -2.393 4.958 -0.727 1.00 11.22 H new ATOM 0 HD21 ASN A 6 -0.055 7.885 -2.405 1.00 55.12 H new ATOM 0 HD22 ASN A 6 0.100 6.186 -2.865 1.00 55.12 H new ATOM 97 N GLY A 7 -0.567 3.683 2.180 1.00 35.43 N ATOM 98 CA GLY A 7 -0.956 3.820 3.582 1.00 30.10 C ATOM 99 C GLY A 7 -2.317 3.199 3.893 1.00 15.45 C ATOM 100 O GLY A 7 -2.718 3.112 5.055 1.00 41.20 O ATOM 0 H GLY A 7 -0.141 2.787 1.943 1.00 35.43 H new ATOM 0 HA2 GLY A 7 -0.198 3.351 4.210 1.00 30.10 H new ATOM 0 HA3 GLY A 7 -0.978 4.878 3.844 1.00 30.10 H new ATOM 104 N LYS A 8 -3.023 2.757 2.854 1.00 24.24 N ATOM 105 CA LYS A 8 -4.356 2.155 3.004 1.00 15.00 C ATOM 106 C LYS A 8 -4.347 0.662 2.616 1.00 64.31 C ATOM 107 O LYS A 8 -3.914 0.302 1.522 1.00 10.24 O ATOM 108 CB LYS A 8 -5.389 2.914 2.147 1.00 55.34 C ATOM 109 CG LYS A 8 -5.792 4.281 2.707 1.00 4.21 C ATOM 110 CD LYS A 8 -4.718 5.352 2.525 1.00 14.41 C ATOM 111 CE LYS A 8 -4.526 5.734 1.063 1.00 32.40 C ATOM 112 NZ LYS A 8 -3.617 6.902 0.915 1.00 22.21 N ATOM 0 H LYS A 8 -2.695 2.803 1.889 1.00 24.24 H new ATOM 0 HA LYS A 8 -4.636 2.231 4.055 1.00 15.00 H new ATOM 0 HB2 LYS A 8 -4.982 3.051 1.145 1.00 55.34 H new ATOM 0 HB3 LYS A 8 -6.283 2.298 2.046 1.00 55.34 H new ATOM 0 HG2 LYS A 8 -6.709 4.610 2.218 1.00 4.21 H new ATOM 0 HG3 LYS A 8 -6.016 4.179 3.769 1.00 4.21 H new ATOM 0 HD2 LYS A 8 -4.991 6.239 3.097 1.00 14.41 H new ATOM 0 HD3 LYS A 8 -3.774 4.989 2.931 1.00 14.41 H new ATOM 0 HE2 LYS A 8 -4.119 4.884 0.515 1.00 32.40 H new ATOM 0 HE3 LYS A 8 -5.493 5.967 0.617 1.00 32.40 H new ATOM 0 HZ1 LYS A 8 -3.267 6.948 -0.063 1.00 22.21 H new ATOM 0 HZ2 LYS A 8 -4.135 7.776 1.139 1.00 22.21 H new ATOM 0 HZ3 LYS A 8 -2.812 6.800 1.566 1.00 22.21 H new ATOM 126 N PRO A 9 -4.837 -0.230 3.501 1.00 63.52 N ATOM 127 CA PRO A 9 -4.832 -1.685 3.251 1.00 21.02 C ATOM 128 C PRO A 9 -5.971 -2.155 2.318 1.00 75.32 C ATOM 129 O PRO A 9 -7.107 -1.687 2.418 1.00 32.41 O ATOM 130 CB PRO A 9 -5.002 -2.264 4.659 1.00 54.41 C ATOM 131 CG PRO A 9 -5.819 -1.247 5.386 1.00 51.32 C ATOM 132 CD PRO A 9 -5.438 0.099 4.813 1.00 62.24 C ATOM 0 HA PRO A 9 -3.927 -2.008 2.736 1.00 21.02 H new ATOM 0 HB2 PRO A 9 -5.504 -3.231 4.632 1.00 54.41 H new ATOM 0 HB3 PRO A 9 -4.038 -2.419 5.144 1.00 54.41 H new ATOM 0 HG2 PRO A 9 -6.884 -1.438 5.253 1.00 51.32 H new ATOM 0 HG3 PRO A 9 -5.620 -1.283 6.457 1.00 51.32 H new ATOM 0 HD2 PRO A 9 -6.308 0.747 4.703 1.00 62.24 H new ATOM 0 HD3 PRO A 9 -4.731 0.622 5.457 1.00 62.24 H new ATOM 140 N SER A 10 -5.656 -3.080 1.407 1.00 74.03 N ATOM 141 CA SER A 10 -6.655 -3.626 0.469 1.00 1.51 C ATOM 142 C SER A 10 -6.327 -5.077 0.083 1.00 13.21 C ATOM 143 O SER A 10 -5.185 -5.521 0.214 1.00 0.44 O ATOM 144 CB SER A 10 -6.732 -2.760 -0.798 1.00 44.12 C ATOM 145 OG SER A 10 -7.686 -3.276 -1.716 1.00 72.14 O ATOM 0 H SER A 10 -4.720 -3.469 1.295 1.00 74.03 H new ATOM 0 HA SER A 10 -7.621 -3.614 0.974 1.00 1.51 H new ATOM 0 HB2 SER A 10 -6.999 -1.738 -0.528 1.00 44.12 H new ATOM 0 HB3 SER A 10 -5.752 -2.718 -1.273 1.00 44.12 H new ATOM 0 HG SER A 10 -7.716 -2.705 -2.512 1.00 72.14 H new ATOM 151 N THR A 11 -7.332 -5.811 -0.395 1.00 74.41 N ATOM 152 CA THR A 11 -7.154 -7.211 -0.809 1.00 25.02 C ATOM 153 C THR A 11 -7.257 -7.361 -2.336 1.00 11.22 C ATOM 154 O THR A 11 -8.326 -7.175 -2.920 1.00 11.31 O ATOM 155 CB THR A 11 -8.207 -8.132 -0.140 1.00 5.32 C ATOM 156 OG1 THR A 11 -8.086 -8.066 1.290 1.00 64.21 O ATOM 157 CG2 THR A 11 -8.053 -9.580 -0.595 1.00 42.15 C ATOM 0 H THR A 11 -8.284 -5.461 -0.507 1.00 74.41 H new ATOM 0 HA THR A 11 -6.157 -7.511 -0.487 1.00 25.02 H new ATOM 0 HB THR A 11 -9.193 -7.779 -0.443 1.00 5.32 H new ATOM 0 HG1 THR A 11 -7.265 -8.521 1.570 1.00 64.21 H new ATOM 0 HG21 THR A 11 -8.807 -10.197 -0.106 1.00 42.15 H new ATOM 0 HG22 THR A 11 -8.182 -9.637 -1.676 1.00 42.15 H new ATOM 0 HG23 THR A 11 -7.060 -9.942 -0.328 1.00 42.15 H new ATOM 165 N VAL A 12 -6.142 -7.701 -2.980 1.00 31.43 N ATOM 166 CA VAL A 12 -6.110 -7.889 -4.436 1.00 3.25 C ATOM 167 C VAL A 12 -5.874 -9.366 -4.809 1.00 15.41 C ATOM 168 O VAL A 12 -4.854 -9.959 -4.442 1.00 53.32 O ATOM 169 CB VAL A 12 -5.020 -6.998 -5.097 1.00 72.22 C ATOM 170 CG1 VAL A 12 -5.365 -5.518 -4.936 1.00 15.31 C ATOM 171 CG2 VAL A 12 -3.637 -7.288 -4.511 1.00 4.44 C ATOM 0 H VAL A 12 -5.245 -7.853 -2.519 1.00 31.43 H new ATOM 0 HA VAL A 12 -7.086 -7.587 -4.817 1.00 3.25 H new ATOM 0 HB VAL A 12 -4.994 -7.238 -6.160 1.00 72.22 H new ATOM 0 HG11 VAL A 12 -4.591 -4.911 -5.405 1.00 15.31 H new ATOM 0 HG12 VAL A 12 -6.324 -5.314 -5.412 1.00 15.31 H new ATOM 0 HG13 VAL A 12 -5.427 -5.272 -3.876 1.00 15.31 H new ATOM 0 HG21 VAL A 12 -2.896 -6.650 -4.993 1.00 4.44 H new ATOM 0 HG22 VAL A 12 -3.646 -7.088 -3.440 1.00 4.44 H new ATOM 0 HG23 VAL A 12 -3.381 -8.334 -4.682 1.00 4.44 H new ATOM 181 N ASP A 13 -6.829 -9.966 -5.526 1.00 65.35 N ATOM 182 CA ASP A 13 -6.702 -11.360 -5.967 1.00 70.12 C ATOM 183 C ASP A 13 -5.824 -11.449 -7.228 1.00 53.41 C ATOM 184 O ASP A 13 -5.537 -10.436 -7.868 1.00 64.22 O ATOM 185 CB ASP A 13 -8.090 -11.966 -6.227 1.00 55.35 C ATOM 186 CG ASP A 13 -8.056 -13.487 -6.279 1.00 34.25 C ATOM 187 OD1 ASP A 13 -7.811 -14.049 -7.365 1.00 72.32 O ATOM 188 OD2 ASP A 13 -8.256 -14.128 -5.226 1.00 14.34 O ATOM 0 H ASP A 13 -7.696 -9.511 -5.813 1.00 65.35 H new ATOM 0 HA ASP A 13 -6.219 -11.933 -5.175 1.00 70.12 H new ATOM 0 HB2 ASP A 13 -8.776 -11.647 -5.442 1.00 55.35 H new ATOM 0 HB3 ASP A 13 -8.481 -11.581 -7.169 1.00 55.35 H new ATOM 193 N GLY A 14 -5.393 -12.657 -7.578 1.00 43.44 N ATOM 194 CA GLY A 14 -4.465 -12.829 -8.691 1.00 73.43 C ATOM 195 C GLY A 14 -3.038 -12.422 -8.331 1.00 51.12 C ATOM 196 O GLY A 14 -2.139 -12.443 -9.175 1.00 72.03 O ATOM 0 H GLY A 14 -5.667 -13.522 -7.113 1.00 43.44 H new ATOM 0 HA2 GLY A 14 -4.473 -13.872 -9.008 1.00 73.43 H new ATOM 0 HA3 GLY A 14 -4.806 -12.235 -9.539 1.00 73.43 H new ATOM 200 N ALA A 15 -2.833 -12.060 -7.067 1.00 13.42 N ATOM 201 CA ALA A 15 -1.524 -11.629 -6.575 1.00 10.54 C ATOM 202 C ALA A 15 -1.093 -12.460 -5.359 1.00 65.32 C ATOM 203 O ALA A 15 -1.663 -12.335 -4.274 1.00 21.21 O ATOM 204 CB ALA A 15 -1.565 -10.144 -6.224 1.00 64.41 C ATOM 0 H ALA A 15 -3.565 -12.056 -6.357 1.00 13.42 H new ATOM 0 HA ALA A 15 -0.788 -11.786 -7.363 1.00 10.54 H new ATOM 0 HB1 ALA A 15 -0.588 -9.829 -5.858 1.00 64.41 H new ATOM 0 HB2 ALA A 15 -1.823 -9.567 -7.112 1.00 64.41 H new ATOM 0 HB3 ALA A 15 -2.314 -9.974 -5.450 1.00 64.41 H new ATOM 210 N GLU A 16 -0.107 -13.325 -5.560 1.00 75.13 N ATOM 211 CA GLU A 16 0.460 -14.140 -4.477 1.00 62.15 C ATOM 212 C GLU A 16 1.800 -13.548 -4.003 1.00 70.10 C ATOM 213 O GLU A 16 1.963 -13.181 -2.839 1.00 53.15 O ATOM 214 CB GLU A 16 0.661 -15.576 -4.979 1.00 64.12 C ATOM 215 CG GLU A 16 1.278 -16.525 -3.956 1.00 64.01 C ATOM 216 CD GLU A 16 1.739 -17.830 -4.586 1.00 65.13 C ATOM 217 OE1 GLU A 16 2.750 -17.807 -5.321 1.00 4.23 O ATOM 218 OE2 GLU A 16 1.102 -18.880 -4.360 1.00 13.23 O ATOM 0 H GLU A 16 0.325 -13.486 -6.470 1.00 75.13 H new ATOM 0 HA GLU A 16 -0.228 -14.144 -3.631 1.00 62.15 H new ATOM 0 HB2 GLU A 16 -0.304 -15.976 -5.291 1.00 64.12 H new ATOM 0 HB3 GLU A 16 1.298 -15.552 -5.863 1.00 64.12 H new ATOM 0 HG2 GLU A 16 2.126 -16.037 -3.475 1.00 64.01 H new ATOM 0 HG3 GLU A 16 0.548 -16.739 -3.175 1.00 64.01 H new ATOM 225 N SER A 17 2.758 -13.478 -4.921 1.00 74.04 N ATOM 226 CA SER A 17 4.048 -12.819 -4.676 1.00 44.11 C ATOM 227 C SER A 17 4.588 -12.242 -5.987 1.00 34.50 C ATOM 228 O SER A 17 5.118 -12.970 -6.828 1.00 0.15 O ATOM 229 CB SER A 17 5.066 -13.800 -4.068 1.00 65.01 C ATOM 230 OG SER A 17 5.300 -14.911 -4.925 1.00 31.11 O ATOM 0 H SER A 17 2.668 -13.874 -5.857 1.00 74.04 H new ATOM 0 HA SER A 17 3.893 -12.011 -3.961 1.00 44.11 H new ATOM 0 HB2 SER A 17 6.006 -13.280 -3.881 1.00 65.01 H new ATOM 0 HB3 SER A 17 4.700 -14.154 -3.104 1.00 65.01 H new ATOM 0 HG SER A 17 5.392 -14.598 -5.849 1.00 31.11 H new ATOM 236 N LEU A 18 4.435 -10.937 -6.170 1.00 42.15 N ATOM 237 CA LEU A 18 4.727 -10.298 -7.458 1.00 33.23 C ATOM 238 C LEU A 18 5.729 -9.148 -7.318 1.00 12.51 C ATOM 239 O LEU A 18 5.593 -8.297 -6.441 1.00 13.25 O ATOM 240 CB LEU A 18 3.424 -9.769 -8.076 1.00 13.13 C ATOM 241 CG LEU A 18 2.382 -10.839 -8.450 1.00 32.52 C ATOM 242 CD1 LEU A 18 1.099 -10.189 -8.965 1.00 1.11 C ATOM 243 CD2 LEU A 18 2.950 -11.804 -9.490 1.00 12.13 C ATOM 0 H LEU A 18 4.111 -10.296 -5.446 1.00 42.15 H new ATOM 0 HA LEU A 18 5.176 -11.051 -8.105 1.00 33.23 H new ATOM 0 HB2 LEU A 18 2.967 -9.072 -7.374 1.00 13.13 H new ATOM 0 HB3 LEU A 18 3.673 -9.201 -8.972 1.00 13.13 H new ATOM 0 HG LEU A 18 2.140 -11.406 -7.551 1.00 32.52 H new ATOM 0 HD11 LEU A 18 0.377 -10.964 -9.223 1.00 1.11 H new ATOM 0 HD12 LEU A 18 0.680 -9.546 -8.190 1.00 1.11 H new ATOM 0 HD13 LEU A 18 1.323 -9.592 -9.849 1.00 1.11 H new ATOM 0 HD21 LEU A 18 2.198 -12.552 -9.741 1.00 12.13 H new ATOM 0 HD22 LEU A 18 3.225 -11.251 -10.388 1.00 12.13 H new ATOM 0 HD23 LEU A 18 3.833 -12.298 -9.084 1.00 12.13 H new ATOM 255 N ASN A 19 6.733 -9.123 -8.191 1.00 60.31 N ATOM 256 CA ASN A 19 7.660 -7.992 -8.252 1.00 54.12 C ATOM 257 C ASN A 19 6.917 -6.710 -8.661 1.00 24.12 C ATOM 258 O ASN A 19 5.926 -6.772 -9.394 1.00 4.23 O ATOM 259 CB ASN A 19 8.820 -8.293 -9.214 1.00 53.31 C ATOM 260 CG ASN A 19 8.351 -8.733 -10.586 1.00 41.51 C ATOM 261 OD1 ASN A 19 8.257 -7.802 -11.515 1.00 50.34 O flip ATOM 262 ND2 ASN A 19 8.089 -9.910 -10.816 1.00 51.24 N flip ATOM 0 H ASN A 19 6.926 -9.866 -8.862 1.00 60.31 H new ATOM 0 HA ASN A 19 8.082 -7.835 -7.260 1.00 54.12 H new ATOM 0 HB2 ASN A 19 9.441 -7.403 -9.316 1.00 53.31 H new ATOM 0 HB3 ASN A 19 9.449 -9.072 -8.784 1.00 53.31 H new ATOM 0 HD21 ASN A 19 8.172 -10.605 -10.074 1.00 51.24 H new ATOM 0 HD22 ASN A 19 7.788 -10.193 -11.749 1.00 51.24 H new ATOM 269 N VAL A 20 7.398 -5.558 -8.185 1.00 45.05 N ATOM 270 CA VAL A 20 6.701 -4.271 -8.376 1.00 64.33 C ATOM 271 C VAL A 20 6.189 -4.081 -9.820 1.00 63.42 C ATOM 272 O VAL A 20 5.064 -3.624 -10.027 1.00 34.22 O ATOM 273 CB VAL A 20 7.611 -3.075 -7.986 1.00 70.11 C ATOM 274 CG1 VAL A 20 6.874 -1.743 -8.132 1.00 63.10 C ATOM 275 CG2 VAL A 20 8.154 -3.242 -6.566 1.00 53.40 C ATOM 0 H VAL A 20 8.270 -5.485 -7.662 1.00 45.05 H new ATOM 0 HA VAL A 20 5.835 -4.297 -7.715 1.00 64.33 H new ATOM 0 HB VAL A 20 8.455 -3.065 -8.675 1.00 70.11 H new ATOM 0 HG11 VAL A 20 7.539 -0.926 -7.851 1.00 63.10 H new ATOM 0 HG12 VAL A 20 6.558 -1.614 -9.167 1.00 63.10 H new ATOM 0 HG13 VAL A 20 5.999 -1.738 -7.482 1.00 63.10 H new ATOM 0 HG21 VAL A 20 8.788 -2.391 -6.317 1.00 53.40 H new ATOM 0 HG22 VAL A 20 7.323 -3.293 -5.862 1.00 53.40 H new ATOM 0 HG23 VAL A 20 8.738 -4.160 -6.505 1.00 53.40 H new ATOM 285 N THR A 21 7.005 -4.448 -10.812 1.00 60.12 N ATOM 286 CA THR A 21 6.596 -4.371 -12.227 1.00 22.11 C ATOM 287 C THR A 21 5.238 -5.053 -12.467 1.00 45.14 C ATOM 288 O THR A 21 4.341 -4.475 -13.086 1.00 3.21 O ATOM 289 CB THR A 21 7.645 -5.019 -13.166 1.00 1.11 C ATOM 290 OG1 THR A 21 8.921 -4.389 -12.987 1.00 55.45 O ATOM 291 CG2 THR A 21 7.224 -4.909 -14.631 1.00 51.54 C ATOM 0 H THR A 21 7.951 -4.801 -10.667 1.00 60.12 H new ATOM 0 HA THR A 21 6.513 -3.309 -12.457 1.00 22.11 H new ATOM 0 HB THR A 21 7.716 -6.075 -12.907 1.00 1.11 H new ATOM 0 HG1 THR A 21 9.484 -4.563 -13.770 1.00 55.45 H new ATOM 0 HG21 THR A 21 7.981 -5.373 -15.263 1.00 51.54 H new ATOM 0 HG22 THR A 21 6.270 -5.417 -14.775 1.00 51.54 H new ATOM 0 HG23 THR A 21 7.120 -3.858 -14.902 1.00 51.54 H new ATOM 299 N GLU A 22 5.082 -6.275 -11.957 1.00 4.40 N ATOM 300 CA GLU A 22 3.833 -7.029 -12.136 1.00 43.33 C ATOM 301 C GLU A 22 2.660 -6.339 -11.426 1.00 12.40 C ATOM 302 O GLU A 22 1.518 -6.408 -11.882 1.00 3.53 O ATOM 303 CB GLU A 22 3.968 -8.465 -11.611 1.00 41.14 C ATOM 304 CG GLU A 22 5.202 -9.211 -12.102 1.00 43.45 C ATOM 305 CD GLU A 22 5.462 -9.028 -13.588 1.00 51.22 C ATOM 306 OE1 GLU A 22 4.546 -9.281 -14.397 1.00 61.21 O ATOM 307 OE2 GLU A 22 6.587 -8.628 -13.949 1.00 54.03 O ATOM 0 H GLU A 22 5.798 -6.764 -11.420 1.00 4.40 H new ATOM 0 HA GLU A 22 3.632 -7.060 -13.207 1.00 43.33 H new ATOM 0 HB2 GLU A 22 3.986 -8.438 -10.521 1.00 41.14 H new ATOM 0 HB3 GLU A 22 3.081 -9.028 -11.901 1.00 41.14 H new ATOM 0 HG2 GLU A 22 6.072 -8.868 -11.543 1.00 43.45 H new ATOM 0 HG3 GLU A 22 5.085 -10.273 -11.889 1.00 43.45 H new ATOM 314 N LEU A 23 2.949 -5.683 -10.306 1.00 63.33 N ATOM 315 CA LEU A 23 1.928 -4.939 -9.560 1.00 2.52 C ATOM 316 C LEU A 23 1.354 -3.810 -10.437 1.00 12.31 C ATOM 317 O LEU A 23 0.138 -3.676 -10.581 1.00 34.12 O ATOM 318 CB LEU A 23 2.539 -4.385 -8.257 1.00 3.33 C ATOM 319 CG LEU A 23 1.542 -3.869 -7.193 1.00 14.24 C ATOM 320 CD1 LEU A 23 2.216 -3.799 -5.822 1.00 53.44 C ATOM 321 CD2 LEU A 23 0.974 -2.498 -7.574 1.00 33.05 C ATOM 0 H LEU A 23 3.880 -5.649 -9.892 1.00 63.33 H new ATOM 0 HA LEU A 23 1.108 -5.606 -9.295 1.00 2.52 H new ATOM 0 HB2 LEU A 23 3.146 -5.169 -7.804 1.00 3.33 H new ATOM 0 HB3 LEU A 23 3.214 -3.569 -8.516 1.00 3.33 H new ATOM 0 HG LEU A 23 0.712 -4.574 -7.146 1.00 14.24 H new ATOM 0 HD11 LEU A 23 1.502 -3.434 -5.084 1.00 53.44 H new ATOM 0 HD12 LEU A 23 2.560 -4.793 -5.534 1.00 53.44 H new ATOM 0 HD13 LEU A 23 3.068 -3.120 -5.869 1.00 53.44 H new ATOM 0 HD21 LEU A 23 0.277 -2.166 -6.804 1.00 33.05 H new ATOM 0 HD22 LEU A 23 1.788 -1.778 -7.661 1.00 33.05 H new ATOM 0 HD23 LEU A 23 0.452 -2.573 -8.528 1.00 33.05 H new ATOM 333 N LEU A 24 2.242 -3.014 -11.036 1.00 41.33 N ATOM 334 CA LEU A 24 1.831 -1.967 -11.984 1.00 43.30 C ATOM 335 C LEU A 24 1.155 -2.579 -13.224 1.00 24.12 C ATOM 336 O LEU A 24 0.241 -1.989 -13.801 1.00 12.22 O ATOM 337 CB LEU A 24 3.036 -1.105 -12.409 1.00 34.10 C ATOM 338 CG LEU A 24 3.554 -0.095 -11.361 1.00 0.11 C ATOM 339 CD1 LEU A 24 2.448 0.864 -10.927 1.00 73.33 C ATOM 340 CD2 LEU A 24 4.151 -0.799 -10.147 1.00 5.34 C ATOM 0 H LEU A 24 3.249 -3.071 -10.884 1.00 41.33 H new ATOM 0 HA LEU A 24 1.108 -1.328 -11.476 1.00 43.30 H new ATOM 0 HB2 LEU A 24 3.856 -1.771 -12.678 1.00 34.10 H new ATOM 0 HB3 LEU A 24 2.763 -0.555 -13.310 1.00 34.10 H new ATOM 0 HG LEU A 24 4.346 0.483 -11.837 1.00 0.11 H new ATOM 0 HD11 LEU A 24 2.842 1.563 -10.189 1.00 73.33 H new ATOM 0 HD12 LEU A 24 2.085 1.417 -11.793 1.00 73.33 H new ATOM 0 HD13 LEU A 24 1.627 0.297 -10.488 1.00 73.33 H new ATOM 0 HD21 LEU A 24 4.504 -0.056 -9.433 1.00 5.34 H new ATOM 0 HD22 LEU A 24 3.390 -1.421 -9.677 1.00 5.34 H new ATOM 0 HD23 LEU A 24 4.986 -1.424 -10.463 1.00 5.34 H new ATOM 352 N SER A 25 1.612 -3.764 -13.623 1.00 62.24 N ATOM 353 CA SER A 25 1.008 -4.501 -14.748 1.00 32.20 C ATOM 354 C SER A 25 -0.442 -4.904 -14.439 1.00 33.50 C ATOM 355 O SER A 25 -1.322 -4.816 -15.298 1.00 32.20 O ATOM 356 CB SER A 25 1.834 -5.751 -15.073 1.00 61.13 C ATOM 357 OG SER A 25 1.240 -6.512 -16.116 1.00 71.15 O ATOM 0 H SER A 25 2.401 -4.242 -13.187 1.00 62.24 H new ATOM 0 HA SER A 25 1.003 -3.837 -15.612 1.00 32.20 H new ATOM 0 HB2 SER A 25 2.842 -5.456 -15.365 1.00 61.13 H new ATOM 0 HB3 SER A 25 1.929 -6.368 -14.180 1.00 61.13 H new ATOM 0 HG SER A 25 1.791 -7.301 -16.300 1.00 71.15 H new ATOM 363 N ALA A 26 -0.686 -5.350 -13.208 1.00 74.14 N ATOM 364 CA ALA A 26 -2.042 -5.702 -12.762 1.00 44.35 C ATOM 365 C ALA A 26 -2.913 -4.447 -12.599 1.00 23.13 C ATOM 366 O ALA A 26 -4.125 -4.478 -12.824 1.00 51.44 O ATOM 367 CB ALA A 26 -1.981 -6.480 -11.450 1.00 35.13 C ATOM 0 H ALA A 26 0.035 -5.478 -12.498 1.00 74.14 H new ATOM 0 HA ALA A 26 -2.498 -6.332 -13.526 1.00 44.35 H new ATOM 0 HB1 ALA A 26 -2.992 -6.735 -11.131 1.00 35.13 H new ATOM 0 HB2 ALA A 26 -1.405 -7.394 -11.595 1.00 35.13 H new ATOM 0 HB3 ALA A 26 -1.502 -5.868 -10.686 1.00 35.13 H new ATOM 373 N LEU A 27 -2.282 -3.347 -12.197 1.00 23.12 N ATOM 374 CA LEU A 27 -2.958 -2.051 -12.071 1.00 43.13 C ATOM 375 C LEU A 27 -3.285 -1.479 -13.464 1.00 45.34 C ATOM 376 O LEU A 27 -4.322 -0.848 -13.660 1.00 55.52 O ATOM 377 CB LEU A 27 -2.052 -1.084 -11.276 1.00 51.24 C ATOM 378 CG LEU A 27 -2.731 0.162 -10.658 1.00 60.50 C ATOM 379 CD1 LEU A 27 -1.810 0.813 -9.628 1.00 20.21 C ATOM 380 CD2 LEU A 27 -3.122 1.186 -11.727 1.00 22.30 C ATOM 0 H LEU A 27 -1.293 -3.324 -11.950 1.00 23.12 H new ATOM 0 HA LEU A 27 -3.899 -2.179 -11.535 1.00 43.13 H new ATOM 0 HB2 LEU A 27 -1.579 -1.647 -10.471 1.00 51.24 H new ATOM 0 HB3 LEU A 27 -1.256 -0.743 -11.938 1.00 51.24 H new ATOM 0 HG LEU A 27 -3.644 -0.175 -10.167 1.00 60.50 H new ATOM 0 HD11 LEU A 27 -2.301 1.688 -9.202 1.00 20.21 H new ATOM 0 HD12 LEU A 27 -1.589 0.099 -8.835 1.00 20.21 H new ATOM 0 HD13 LEU A 27 -0.882 1.117 -10.111 1.00 20.21 H new ATOM 0 HD21 LEU A 27 -3.595 2.045 -11.252 1.00 22.30 H new ATOM 0 HD22 LEU A 27 -2.230 1.513 -12.261 1.00 22.30 H new ATOM 0 HD23 LEU A 27 -3.819 0.730 -12.430 1.00 22.30 H new ATOM 392 N LYS A 28 -2.395 -1.730 -14.428 1.00 75.31 N ATOM 393 CA LYS A 28 -2.514 -1.181 -15.789 1.00 33.41 C ATOM 394 C LYS A 28 -2.507 0.356 -15.778 1.00 14.45 C ATOM 395 O LYS A 28 -3.540 1.008 -15.964 1.00 1.40 O ATOM 396 CB LYS A 28 -3.767 -1.718 -16.512 1.00 54.42 C ATOM 397 CG LYS A 28 -3.740 -3.225 -16.759 1.00 73.01 C ATOM 398 CD LYS A 28 -4.912 -3.688 -17.625 1.00 75.32 C ATOM 399 CE LYS A 28 -6.257 -3.490 -16.932 1.00 42.50 C ATOM 400 NZ LYS A 28 -7.391 -3.908 -17.800 1.00 65.24 N ATOM 0 H LYS A 28 -1.572 -2.317 -14.291 1.00 75.31 H new ATOM 0 HA LYS A 28 -1.639 -1.517 -16.346 1.00 33.41 H new ATOM 0 HB2 LYS A 28 -4.649 -1.472 -15.921 1.00 54.42 H new ATOM 0 HB3 LYS A 28 -3.871 -1.205 -17.468 1.00 54.42 H new ATOM 0 HG2 LYS A 28 -2.802 -3.495 -17.245 1.00 73.01 H new ATOM 0 HG3 LYS A 28 -3.767 -3.749 -15.804 1.00 73.01 H new ATOM 0 HD2 LYS A 28 -4.906 -3.137 -18.566 1.00 75.32 H new ATOM 0 HD3 LYS A 28 -4.785 -4.742 -17.872 1.00 75.32 H new ATOM 0 HE2 LYS A 28 -6.277 -4.064 -16.006 1.00 42.50 H new ATOM 0 HE3 LYS A 28 -6.375 -2.441 -16.659 1.00 42.50 H new ATOM 0 HZ1 LYS A 28 -8.288 -3.759 -17.295 1.00 65.24 H new ATOM 0 HZ2 LYS A 28 -7.387 -3.343 -18.673 1.00 65.24 H new ATOM 0 HZ3 LYS A 28 -7.292 -4.915 -18.039 1.00 65.24 H new ATOM 414 N VAL A 29 -1.331 0.930 -15.536 1.00 24.53 N ATOM 415 CA VAL A 29 -1.167 2.387 -15.499 1.00 51.02 C ATOM 416 C VAL A 29 -0.213 2.871 -16.602 1.00 24.43 C ATOM 417 O VAL A 29 0.765 2.198 -16.940 1.00 43.11 O ATOM 418 CB VAL A 29 -0.645 2.858 -14.113 1.00 64.22 C ATOM 419 CG1 VAL A 29 0.734 2.274 -13.820 1.00 21.24 C ATOM 420 CG2 VAL A 29 -0.627 4.386 -14.019 1.00 45.24 C ATOM 0 H VAL A 29 -0.472 0.408 -15.361 1.00 24.53 H new ATOM 0 HA VAL A 29 -2.150 2.824 -15.672 1.00 51.02 H new ATOM 0 HB VAL A 29 -1.334 2.487 -13.354 1.00 64.22 H new ATOM 0 HG11 VAL A 29 1.076 2.620 -12.844 1.00 21.24 H new ATOM 0 HG12 VAL A 29 0.676 1.186 -13.819 1.00 21.24 H new ATOM 0 HG13 VAL A 29 1.437 2.599 -14.587 1.00 21.24 H new ATOM 0 HG21 VAL A 29 -0.257 4.686 -13.038 1.00 45.24 H new ATOM 0 HG22 VAL A 29 0.026 4.790 -14.792 1.00 45.24 H new ATOM 0 HG23 VAL A 29 -1.637 4.771 -14.159 1.00 45.24 H new ATOM 430 N ALA A 30 -0.511 4.037 -17.168 1.00 42.43 N ATOM 431 CA ALA A 30 0.340 4.633 -18.196 1.00 21.31 C ATOM 432 C ALA A 30 1.606 5.251 -17.582 1.00 31.02 C ATOM 433 O ALA A 30 1.565 5.817 -16.487 1.00 25.02 O ATOM 434 CB ALA A 30 -0.436 5.682 -18.984 1.00 4.21 C ATOM 0 H ALA A 30 -1.336 4.589 -16.933 1.00 42.43 H new ATOM 0 HA ALA A 30 0.651 3.840 -18.877 1.00 21.31 H new ATOM 0 HB1 ALA A 30 0.211 6.117 -19.746 1.00 4.21 H new ATOM 0 HB2 ALA A 30 -1.297 5.215 -19.462 1.00 4.21 H new ATOM 0 HB3 ALA A 30 -0.778 6.466 -18.308 1.00 4.21 H new ATOM 440 N GLN A 31 2.725 5.122 -18.301 1.00 11.21 N ATOM 441 CA GLN A 31 4.027 5.657 -17.867 1.00 72.11 C ATOM 442 C GLN A 31 4.615 4.864 -16.680 1.00 74.51 C ATOM 443 O GLN A 31 5.260 5.435 -15.800 1.00 60.24 O ATOM 444 CB GLN A 31 3.936 7.157 -17.515 1.00 52.55 C ATOM 445 CG GLN A 31 3.481 8.048 -18.671 1.00 54.31 C ATOM 446 CD GLN A 31 3.667 9.533 -18.387 1.00 2.13 C ATOM 447 OE1 GLN A 31 4.591 9.938 -17.689 1.00 20.35 O ATOM 448 NE2 GLN A 31 2.791 10.354 -18.927 1.00 42.41 N ATOM 0 H GLN A 31 2.758 4.644 -19.201 1.00 11.21 H new ATOM 0 HA GLN A 31 4.704 5.542 -18.713 1.00 72.11 H new ATOM 0 HB2 GLN A 31 3.244 7.281 -16.682 1.00 52.55 H new ATOM 0 HB3 GLN A 31 4.913 7.498 -17.172 1.00 52.55 H new ATOM 0 HG2 GLN A 31 4.040 7.783 -19.569 1.00 54.31 H new ATOM 0 HG3 GLN A 31 2.429 7.853 -18.881 1.00 54.31 H new ATOM 0 HE21 GLN A 31 2.034 9.985 -19.503 1.00 42.41 H new ATOM 0 HE22 GLN A 31 2.869 11.359 -18.770 1.00 42.41 H new ATOM 457 N ALA A 32 4.429 3.543 -16.684 1.00 74.23 N ATOM 458 CA ALA A 32 4.992 2.675 -15.637 1.00 53.14 C ATOM 459 C ALA A 32 6.528 2.792 -15.556 1.00 44.12 C ATOM 460 O ALA A 32 7.107 2.764 -14.474 1.00 44.43 O ATOM 461 CB ALA A 32 4.582 1.228 -15.878 1.00 34.22 C ATOM 0 H ALA A 32 3.894 3.047 -17.397 1.00 74.23 H new ATOM 0 HA ALA A 32 4.589 3.008 -14.680 1.00 53.14 H new ATOM 0 HB1 ALA A 32 5.004 0.595 -15.097 1.00 34.22 H new ATOM 0 HB2 ALA A 32 3.495 1.150 -15.860 1.00 34.22 H new ATOM 0 HB3 ALA A 32 4.953 0.902 -16.850 1.00 34.22 H new ATOM 467 N GLU A 33 7.173 2.934 -16.711 1.00 72.31 N ATOM 468 CA GLU A 33 8.634 3.114 -16.787 1.00 2.13 C ATOM 469 C GLU A 33 9.056 4.528 -16.331 1.00 15.23 C ATOM 470 O GLU A 33 10.239 4.845 -16.260 1.00 15.10 O ATOM 471 CB GLU A 33 9.096 2.852 -18.236 1.00 74.00 C ATOM 472 CG GLU A 33 10.592 3.062 -18.507 1.00 11.44 C ATOM 473 CD GLU A 33 11.499 2.128 -17.716 1.00 4.54 C ATOM 474 OE1 GLU A 33 11.143 0.941 -17.553 1.00 52.43 O ATOM 475 OE2 GLU A 33 12.577 2.575 -17.266 1.00 43.11 O ATOM 0 H GLU A 33 6.708 2.929 -17.619 1.00 72.31 H new ATOM 0 HA GLU A 33 9.111 2.403 -16.112 1.00 2.13 H new ATOM 0 HB2 GLU A 33 8.838 1.826 -18.500 1.00 74.00 H new ATOM 0 HB3 GLU A 33 8.530 3.504 -18.902 1.00 74.00 H new ATOM 0 HG2 GLU A 33 10.782 2.922 -19.571 1.00 11.44 H new ATOM 0 HG3 GLU A 33 10.853 4.093 -18.270 1.00 11.44 H new ATOM 482 N TYR A 34 8.078 5.374 -16.013 1.00 42.35 N ATOM 483 CA TYR A 34 8.347 6.775 -15.664 1.00 11.52 C ATOM 484 C TYR A 34 7.870 7.118 -14.236 1.00 13.14 C ATOM 485 O TYR A 34 8.224 8.167 -13.694 1.00 13.21 O ATOM 486 CB TYR A 34 7.647 7.702 -16.672 1.00 41.15 C ATOM 487 CG TYR A 34 7.930 7.371 -18.129 1.00 64.31 C ATOM 488 CD1 TYR A 34 7.280 6.312 -18.755 1.00 74.52 C ATOM 489 CD2 TYR A 34 8.835 8.115 -18.877 1.00 11.13 C ATOM 490 CE1 TYR A 34 7.521 6.003 -20.078 1.00 12.44 C ATOM 491 CE2 TYR A 34 9.079 7.813 -20.204 1.00 61.24 C ATOM 492 CZ TYR A 34 8.421 6.755 -20.799 1.00 51.25 C ATOM 493 OH TYR A 34 8.661 6.452 -22.124 1.00 32.45 O ATOM 0 H TYR A 34 7.091 5.118 -15.989 1.00 42.35 H new ATOM 0 HA TYR A 34 9.426 6.922 -15.700 1.00 11.52 H new ATOM 0 HB2 TYR A 34 6.571 7.656 -16.504 1.00 41.15 H new ATOM 0 HB3 TYR A 34 7.956 8.729 -16.478 1.00 41.15 H new ATOM 0 HD1 TYR A 34 6.572 5.720 -18.194 1.00 74.52 H new ATOM 0 HD2 TYR A 34 9.355 8.941 -18.415 1.00 11.13 H new ATOM 0 HE1 TYR A 34 7.007 5.176 -20.545 1.00 12.44 H new ATOM 0 HE2 TYR A 34 9.782 8.403 -20.773 1.00 61.24 H new ATOM 0 HH TYR A 34 9.321 7.078 -22.488 1.00 32.45 H new ATOM 503 N VAL A 35 7.061 6.238 -13.638 1.00 15.00 N ATOM 504 CA VAL A 35 6.484 6.490 -12.308 1.00 3.12 C ATOM 505 C VAL A 35 7.425 6.053 -11.169 1.00 2.53 C ATOM 506 O VAL A 35 7.950 4.940 -11.167 1.00 14.02 O ATOM 507 CB VAL A 35 5.109 5.781 -12.141 1.00 74.50 C ATOM 508 CG1 VAL A 35 5.224 4.275 -12.374 1.00 11.05 C ATOM 509 CG2 VAL A 35 4.512 6.066 -10.763 1.00 74.45 C ATOM 0 H VAL A 35 6.789 5.346 -14.051 1.00 15.00 H new ATOM 0 HA VAL A 35 6.343 7.569 -12.240 1.00 3.12 H new ATOM 0 HB VAL A 35 4.438 6.186 -12.898 1.00 74.50 H new ATOM 0 HG11 VAL A 35 4.245 3.812 -12.249 1.00 11.05 H new ATOM 0 HG12 VAL A 35 5.587 4.090 -13.385 1.00 11.05 H new ATOM 0 HG13 VAL A 35 5.922 3.848 -11.654 1.00 11.05 H new ATOM 0 HG21 VAL A 35 3.551 5.559 -10.671 1.00 74.45 H new ATOM 0 HG22 VAL A 35 5.190 5.702 -9.991 1.00 74.45 H new ATOM 0 HG23 VAL A 35 4.369 7.140 -10.644 1.00 74.45 H new ATOM 519 N THR A 36 7.638 6.945 -10.205 1.00 43.20 N ATOM 520 CA THR A 36 8.438 6.626 -9.017 1.00 70.41 C ATOM 521 C THR A 36 7.545 6.150 -7.862 1.00 33.33 C ATOM 522 O THR A 36 6.692 6.896 -7.379 1.00 1.22 O ATOM 523 CB THR A 36 9.253 7.849 -8.530 1.00 12.04 C ATOM 524 OG1 THR A 36 10.096 8.341 -9.585 1.00 44.32 O ATOM 525 CG2 THR A 36 10.114 7.496 -7.318 1.00 61.30 C ATOM 0 H THR A 36 7.269 7.896 -10.220 1.00 43.20 H new ATOM 0 HA THR A 36 9.123 5.830 -9.310 1.00 70.41 H new ATOM 0 HB THR A 36 8.542 8.622 -8.239 1.00 12.04 H new ATOM 0 HG1 THR A 36 10.604 9.115 -9.264 1.00 44.32 H new ATOM 0 HG21 THR A 36 10.674 8.376 -7.001 1.00 61.30 H new ATOM 0 HG22 THR A 36 9.474 7.159 -6.503 1.00 61.30 H new ATOM 0 HG23 THR A 36 10.810 6.700 -7.585 1.00 61.30 H new ATOM 533 N VAL A 37 7.734 4.904 -7.431 1.00 51.12 N ATOM 534 CA VAL A 37 7.009 4.360 -6.274 1.00 10.21 C ATOM 535 C VAL A 37 7.983 3.946 -5.159 1.00 24.40 C ATOM 536 O VAL A 37 9.168 3.709 -5.411 1.00 0.11 O ATOM 537 CB VAL A 37 6.137 3.138 -6.668 1.00 72.41 C ATOM 538 CG1 VAL A 37 5.078 3.537 -7.693 1.00 23.13 C ATOM 539 CG2 VAL A 37 6.999 1.992 -7.197 1.00 12.14 C ATOM 0 H VAL A 37 8.384 4.247 -7.864 1.00 51.12 H new ATOM 0 HA VAL A 37 6.356 5.153 -5.909 1.00 10.21 H new ATOM 0 HB VAL A 37 5.629 2.787 -5.770 1.00 72.41 H new ATOM 0 HG11 VAL A 37 4.478 2.665 -7.955 1.00 23.13 H new ATOM 0 HG12 VAL A 37 4.433 4.307 -7.269 1.00 23.13 H new ATOM 0 HG13 VAL A 37 5.565 3.924 -8.588 1.00 23.13 H new ATOM 0 HG21 VAL A 37 6.361 1.150 -7.465 1.00 12.14 H new ATOM 0 HG22 VAL A 37 7.548 2.326 -8.078 1.00 12.14 H new ATOM 0 HG23 VAL A 37 7.704 1.682 -6.426 1.00 12.14 H new ATOM 549 N GLU A 38 7.484 3.853 -3.928 1.00 13.35 N ATOM 550 CA GLU A 38 8.326 3.488 -2.785 1.00 14.23 C ATOM 551 C GLU A 38 7.732 2.321 -1.983 1.00 32.42 C ATOM 552 O GLU A 38 6.539 2.291 -1.672 1.00 4.11 O ATOM 553 CB GLU A 38 8.572 4.712 -1.884 1.00 24.41 C ATOM 554 CG GLU A 38 7.306 5.429 -1.429 1.00 45.13 C ATOM 555 CD GLU A 38 7.592 6.724 -0.676 1.00 54.20 C ATOM 556 OE1 GLU A 38 8.427 7.526 -1.150 1.00 11.00 O ATOM 557 OE2 GLU A 38 6.975 6.958 0.385 1.00 41.43 O ATOM 0 H GLU A 38 6.506 4.024 -3.695 1.00 13.35 H new ATOM 0 HA GLU A 38 9.285 3.148 -3.177 1.00 14.23 H new ATOM 0 HB2 GLU A 38 9.129 4.393 -1.003 1.00 24.41 H new ATOM 0 HB3 GLU A 38 9.203 5.421 -2.421 1.00 24.41 H new ATOM 0 HG2 GLU A 38 6.688 5.650 -2.299 1.00 45.13 H new ATOM 0 HG3 GLU A 38 6.728 4.763 -0.788 1.00 45.13 H new ATOM 564 N LEU A 39 8.584 1.352 -1.675 1.00 71.21 N ATOM 565 CA LEU A 39 8.194 0.162 -0.918 1.00 33.10 C ATOM 566 C LEU A 39 8.418 0.407 0.585 1.00 11.34 C ATOM 567 O LEU A 39 9.553 0.394 1.055 1.00 44.13 O ATOM 568 CB LEU A 39 9.022 -1.039 -1.434 1.00 43.04 C ATOM 569 CG LEU A 39 8.546 -2.448 -1.023 1.00 71.43 C ATOM 570 CD1 LEU A 39 8.937 -2.774 0.415 1.00 62.20 C ATOM 571 CD2 LEU A 39 7.040 -2.586 -1.233 1.00 4.12 C ATOM 0 H LEU A 39 9.568 1.366 -1.942 1.00 71.21 H new ATOM 0 HA LEU A 39 7.136 -0.057 -1.058 1.00 33.10 H new ATOM 0 HB2 LEU A 39 9.043 -0.993 -2.523 1.00 43.04 H new ATOM 0 HB3 LEU A 39 10.049 -0.915 -1.090 1.00 43.04 H new ATOM 0 HG LEU A 39 9.048 -3.173 -1.664 1.00 71.43 H new ATOM 0 HD11 LEU A 39 8.585 -3.774 0.670 1.00 62.20 H new ATOM 0 HD12 LEU A 39 10.022 -2.734 0.515 1.00 62.20 H new ATOM 0 HD13 LEU A 39 8.484 -2.047 1.089 1.00 62.20 H new ATOM 0 HD21 LEU A 39 6.722 -3.586 -0.938 1.00 4.12 H new ATOM 0 HD22 LEU A 39 6.519 -1.845 -0.626 1.00 4.12 H new ATOM 0 HD23 LEU A 39 6.803 -2.425 -2.285 1.00 4.12 H new ATOM 583 N ASN A 40 7.334 0.649 1.327 1.00 33.41 N ATOM 584 CA ASN A 40 7.427 1.045 2.745 1.00 21.24 C ATOM 585 C ASN A 40 8.316 2.294 2.924 1.00 61.10 C ATOM 586 O ASN A 40 9.165 2.348 3.814 1.00 63.34 O ATOM 587 CB ASN A 40 7.956 -0.117 3.607 1.00 42.04 C ATOM 588 CG ASN A 40 6.889 -1.152 3.913 1.00 23.30 C ATOM 589 OD1 ASN A 40 6.753 -2.147 3.064 1.00 23.13 O flip ATOM 590 ND2 ASN A 40 6.184 -1.056 4.912 1.00 65.52 N flip ATOM 0 H ASN A 40 6.379 0.579 0.974 1.00 33.41 H new ATOM 0 HA ASN A 40 6.421 1.296 3.081 1.00 21.24 H new ATOM 0 HB2 ASN A 40 8.786 -0.599 3.090 1.00 42.04 H new ATOM 0 HB3 ASN A 40 8.350 0.280 4.542 1.00 42.04 H new ATOM 0 HD21 ASN A 40 6.312 -0.273 5.553 1.00 65.52 H new ATOM 0 HD22 ASN A 40 5.470 -1.759 5.102 1.00 65.52 H new ATOM 597 N GLY A 41 8.096 3.304 2.080 1.00 24.10 N ATOM 598 CA GLY A 41 8.887 4.537 2.139 1.00 41.45 C ATOM 599 C GLY A 41 10.248 4.436 1.445 1.00 60.45 C ATOM 600 O GLY A 41 10.976 5.426 1.347 1.00 24.24 O ATOM 0 H GLY A 41 7.382 3.294 1.352 1.00 24.10 H new ATOM 0 HA2 GLY A 41 8.316 5.345 1.682 1.00 41.45 H new ATOM 0 HA3 GLY A 41 9.042 4.808 3.183 1.00 41.45 H new ATOM 604 N GLU A 42 10.584 3.248 0.949 1.00 45.01 N ATOM 605 CA GLU A 42 11.888 2.997 0.314 1.00 43.12 C ATOM 606 C GLU A 42 11.792 3.120 -1.215 1.00 61.21 C ATOM 607 O GLU A 42 11.161 2.296 -1.874 1.00 61.13 O ATOM 608 CB GLU A 42 12.396 1.601 0.711 1.00 13.45 C ATOM 609 CG GLU A 42 13.728 1.202 0.078 1.00 41.12 C ATOM 610 CD GLU A 42 14.883 2.121 0.456 1.00 1.44 C ATOM 611 OE1 GLU A 42 15.386 2.018 1.595 1.00 24.14 O ATOM 612 OE2 GLU A 42 15.310 2.936 -0.393 1.00 43.12 O ATOM 0 H GLU A 42 9.970 2.434 0.972 1.00 45.01 H new ATOM 0 HA GLU A 42 12.595 3.749 0.663 1.00 43.12 H new ATOM 0 HB2 GLU A 42 12.498 1.562 1.795 1.00 13.45 H new ATOM 0 HB3 GLU A 42 11.643 0.863 0.435 1.00 13.45 H new ATOM 0 HG2 GLU A 42 13.972 0.183 0.378 1.00 41.12 H new ATOM 0 HG3 GLU A 42 13.618 1.197 -1.006 1.00 41.12 H new ATOM 619 N VAL A 43 12.419 4.153 -1.772 1.00 2.12 N ATOM 620 CA VAL A 43 12.340 4.427 -3.216 1.00 24.01 C ATOM 621 C VAL A 43 13.149 3.410 -4.048 1.00 60.35 C ATOM 622 O VAL A 43 14.346 3.213 -3.828 1.00 72.14 O ATOM 623 CB VAL A 43 12.822 5.869 -3.540 1.00 51.21 C ATOM 624 CG1 VAL A 43 14.256 6.095 -3.053 1.00 53.20 C ATOM 625 CG2 VAL A 43 12.699 6.165 -5.038 1.00 0.51 C ATOM 0 H VAL A 43 12.989 4.818 -1.250 1.00 2.12 H new ATOM 0 HA VAL A 43 11.290 4.330 -3.492 1.00 24.01 H new ATOM 0 HB VAL A 43 12.175 6.564 -3.005 1.00 51.21 H new ATOM 0 HG11 VAL A 43 14.566 7.112 -3.293 1.00 53.20 H new ATOM 0 HG12 VAL A 43 14.301 5.947 -1.974 1.00 53.20 H new ATOM 0 HG13 VAL A 43 14.923 5.387 -3.544 1.00 53.20 H new ATOM 0 HG21 VAL A 43 13.043 7.180 -5.238 1.00 0.51 H new ATOM 0 HG22 VAL A 43 13.309 5.458 -5.600 1.00 0.51 H new ATOM 0 HG23 VAL A 43 11.657 6.068 -5.344 1.00 0.51 H new ATOM 635 N LEU A 44 12.488 2.770 -5.015 1.00 21.33 N ATOM 636 CA LEU A 44 13.151 1.781 -5.880 1.00 75.45 C ATOM 637 C LEU A 44 13.577 2.408 -7.216 1.00 73.53 C ATOM 638 O LEU A 44 12.969 3.372 -7.688 1.00 5.32 O ATOM 639 CB LEU A 44 12.224 0.581 -6.172 1.00 15.41 C ATOM 640 CG LEU A 44 11.614 -0.141 -4.954 1.00 24.24 C ATOM 641 CD1 LEU A 44 12.669 -0.422 -3.889 1.00 2.23 C ATOM 642 CD2 LEU A 44 10.439 0.644 -4.377 1.00 44.13 C ATOM 0 H LEU A 44 11.500 2.915 -5.221 1.00 21.33 H new ATOM 0 HA LEU A 44 14.034 1.435 -5.342 1.00 75.45 H new ATOM 0 HB2 LEU A 44 11.407 0.929 -6.804 1.00 15.41 H new ATOM 0 HB3 LEU A 44 12.787 -0.150 -6.753 1.00 15.41 H new ATOM 0 HG LEU A 44 11.232 -1.102 -5.299 1.00 24.24 H new ATOM 0 HD11 LEU A 44 12.206 -0.932 -3.044 1.00 2.23 H new ATOM 0 HD12 LEU A 44 13.451 -1.054 -4.310 1.00 2.23 H new ATOM 0 HD13 LEU A 44 13.105 0.518 -3.551 1.00 2.23 H new ATOM 0 HD21 LEU A 44 10.030 0.109 -3.520 1.00 44.13 H new ATOM 0 HD22 LEU A 44 10.780 1.630 -4.061 1.00 44.13 H new ATOM 0 HD23 LEU A 44 9.666 0.754 -5.138 1.00 44.13 H new ATOM 654 N GLU A 45 14.630 1.859 -7.816 1.00 64.42 N ATOM 655 CA GLU A 45 15.039 2.239 -9.170 1.00 63.42 C ATOM 656 C GLU A 45 14.008 1.686 -10.178 1.00 13.55 C ATOM 657 O GLU A 45 13.404 0.639 -9.935 1.00 62.14 O ATOM 658 CB GLU A 45 16.453 1.688 -9.456 1.00 62.32 C ATOM 659 CG GLU A 45 17.271 2.479 -10.482 1.00 23.30 C ATOM 660 CD GLU A 45 16.698 2.434 -11.889 1.00 52.21 C ATOM 661 OE1 GLU A 45 16.803 1.377 -12.544 1.00 34.11 O ATOM 662 OE2 GLU A 45 16.132 3.448 -12.341 1.00 3.51 O ATOM 0 H GLU A 45 15.219 1.146 -7.386 1.00 64.42 H new ATOM 0 HA GLU A 45 15.074 3.324 -9.266 1.00 63.42 H new ATOM 0 HB2 GLU A 45 17.009 1.657 -8.519 1.00 62.32 H new ATOM 0 HB3 GLU A 45 16.360 0.660 -9.805 1.00 62.32 H new ATOM 0 HG2 GLU A 45 17.335 3.518 -10.159 1.00 23.30 H new ATOM 0 HG3 GLU A 45 18.288 2.088 -10.501 1.00 23.30 H new ATOM 669 N ARG A 46 13.810 2.374 -11.300 1.00 72.33 N ATOM 670 CA ARG A 46 12.774 1.992 -12.277 1.00 20.44 C ATOM 671 C ARG A 46 12.910 0.523 -12.725 1.00 73.03 C ATOM 672 O ARG A 46 11.912 -0.172 -12.914 1.00 20.11 O ATOM 673 CB ARG A 46 12.810 2.918 -13.502 1.00 11.01 C ATOM 674 CG ARG A 46 12.924 4.401 -13.153 1.00 62.14 C ATOM 675 CD ARG A 46 12.589 5.297 -14.341 1.00 43.53 C ATOM 676 NE ARG A 46 13.100 4.767 -15.604 1.00 51.41 N ATOM 677 CZ ARG A 46 13.857 5.424 -16.435 1.00 65.24 C ATOM 678 NH1 ARG A 46 14.298 6.608 -16.144 1.00 44.33 N ATOM 679 NH2 ARG A 46 14.187 4.879 -17.560 1.00 33.11 N ATOM 0 H ARG A 46 14.349 3.199 -11.562 1.00 72.33 H new ATOM 0 HA ARG A 46 11.813 2.099 -11.775 1.00 20.44 H new ATOM 0 HB2 ARG A 46 13.653 2.637 -14.133 1.00 11.01 H new ATOM 0 HB3 ARG A 46 11.906 2.762 -14.090 1.00 11.01 H new ATOM 0 HG2 ARG A 46 12.253 4.631 -12.325 1.00 62.14 H new ATOM 0 HG3 ARG A 46 13.937 4.616 -12.811 1.00 62.14 H new ATOM 0 HD2 ARG A 46 11.507 5.413 -14.411 1.00 43.53 H new ATOM 0 HD3 ARG A 46 13.006 6.290 -14.172 1.00 43.53 H new ATOM 0 HE ARG A 46 12.844 3.811 -15.853 1.00 51.41 H new ATOM 0 HH11 ARG A 46 14.053 7.039 -15.252 1.00 44.33 H new ATOM 0 HH12 ARG A 46 14.890 7.109 -16.807 1.00 44.33 H new ATOM 0 HH21 ARG A 46 13.855 3.942 -17.790 1.00 33.11 H new ATOM 0 HH22 ARG A 46 14.780 5.386 -18.218 1.00 33.11 H new ATOM 693 N GLU A 47 14.148 0.049 -12.892 1.00 71.13 N ATOM 694 CA GLU A 47 14.388 -1.362 -13.231 1.00 22.00 C ATOM 695 C GLU A 47 14.261 -2.262 -11.989 1.00 74.34 C ATOM 696 O GLU A 47 13.859 -3.426 -12.081 1.00 23.44 O ATOM 697 CB GLU A 47 15.771 -1.539 -13.879 1.00 14.32 C ATOM 698 CG GLU A 47 16.099 -2.989 -14.227 1.00 21.15 C ATOM 699 CD GLU A 47 17.404 -3.141 -14.991 1.00 24.02 C ATOM 700 OE1 GLU A 47 18.480 -3.053 -14.368 1.00 64.11 O ATOM 701 OE2 GLU A 47 17.356 -3.362 -16.221 1.00 13.41 O ATOM 0 H GLU A 47 14.993 0.612 -12.800 1.00 71.13 H new ATOM 0 HA GLU A 47 13.626 -1.664 -13.949 1.00 22.00 H new ATOM 0 HB2 GLU A 47 15.818 -0.936 -14.786 1.00 14.32 H new ATOM 0 HB3 GLU A 47 16.533 -1.155 -13.201 1.00 14.32 H new ATOM 0 HG2 GLU A 47 16.153 -3.573 -13.308 1.00 21.15 H new ATOM 0 HG3 GLU A 47 15.286 -3.406 -14.822 1.00 21.15 H new ATOM 708 N ALA A 48 14.579 -1.708 -10.819 1.00 74.32 N ATOM 709 CA ALA A 48 14.487 -2.447 -9.552 1.00 13.10 C ATOM 710 C ALA A 48 13.052 -2.923 -9.270 1.00 53.45 C ATOM 711 O ALA A 48 12.837 -3.805 -8.435 1.00 44.44 O ATOM 712 CB ALA A 48 14.994 -1.594 -8.397 1.00 20.13 C ATOM 0 H ALA A 48 14.904 -0.746 -10.719 1.00 74.32 H new ATOM 0 HA ALA A 48 15.118 -3.331 -9.646 1.00 13.10 H new ATOM 0 HB1 ALA A 48 14.918 -2.158 -7.467 1.00 20.13 H new ATOM 0 HB2 ALA A 48 16.035 -1.324 -8.574 1.00 20.13 H new ATOM 0 HB3 ALA A 48 14.392 -0.688 -8.322 1.00 20.13 H new ATOM 718 N PHE A 49 12.075 -2.336 -9.965 1.00 5.20 N ATOM 719 CA PHE A 49 10.677 -2.778 -9.865 1.00 42.24 C ATOM 720 C PHE A 49 10.538 -4.271 -10.219 1.00 61.05 C ATOM 721 O PHE A 49 9.689 -4.980 -9.674 1.00 73.30 O ATOM 722 CB PHE A 49 9.773 -1.945 -10.795 1.00 71.32 C ATOM 723 CG PHE A 49 9.722 -0.464 -10.488 1.00 61.10 C ATOM 724 CD1 PHE A 49 10.201 0.045 -9.286 1.00 64.42 C ATOM 725 CD2 PHE A 49 9.181 0.422 -11.410 1.00 21.24 C ATOM 726 CE1 PHE A 49 10.147 1.401 -9.019 1.00 41.35 C ATOM 727 CE2 PHE A 49 9.126 1.778 -11.144 1.00 54.00 C ATOM 728 CZ PHE A 49 9.609 2.267 -9.947 1.00 31.21 C ATOM 0 H PHE A 49 12.223 -1.554 -10.603 1.00 5.20 H new ATOM 0 HA PHE A 49 10.362 -2.631 -8.832 1.00 42.24 H new ATOM 0 HB2 PHE A 49 10.117 -2.075 -11.821 1.00 71.32 H new ATOM 0 HB3 PHE A 49 8.760 -2.345 -10.745 1.00 71.32 H new ATOM 0 HD1 PHE A 49 10.620 -0.627 -8.552 1.00 64.42 H new ATOM 0 HD2 PHE A 49 8.798 0.047 -12.348 1.00 21.24 H new ATOM 0 HE1 PHE A 49 10.527 1.782 -8.082 1.00 41.35 H new ATOM 0 HE2 PHE A 49 8.705 2.455 -11.873 1.00 54.00 H new ATOM 0 HZ PHE A 49 9.566 3.326 -9.738 1.00 31.21 H new ATOM 738 N ASP A 50 11.383 -4.736 -11.132 1.00 13.32 N ATOM 739 CA ASP A 50 11.372 -6.133 -11.575 1.00 22.24 C ATOM 740 C ASP A 50 12.139 -7.043 -10.591 1.00 0.22 C ATOM 741 O ASP A 50 11.876 -8.243 -10.498 1.00 23.22 O ATOM 742 CB ASP A 50 11.981 -6.205 -12.979 1.00 14.42 C ATOM 743 CG ASP A 50 11.876 -7.579 -13.614 1.00 43.11 C ATOM 744 OD1 ASP A 50 10.750 -8.107 -13.728 1.00 33.14 O ATOM 745 OD2 ASP A 50 12.917 -8.120 -14.045 1.00 75.41 O ATOM 0 H ASP A 50 12.093 -4.162 -11.586 1.00 13.32 H new ATOM 0 HA ASP A 50 10.344 -6.494 -11.601 1.00 22.24 H new ATOM 0 HB2 ASP A 50 11.483 -5.478 -13.620 1.00 14.42 H new ATOM 0 HB3 ASP A 50 13.031 -5.917 -12.926 1.00 14.42 H new ATOM 750 N ALA A 51 13.077 -6.458 -9.847 1.00 60.21 N ATOM 751 CA ALA A 51 13.887 -7.211 -8.876 1.00 4.31 C ATOM 752 C ALA A 51 13.266 -7.201 -7.465 1.00 55.32 C ATOM 753 O ALA A 51 13.550 -8.077 -6.645 1.00 0.13 O ATOM 754 CB ALA A 51 15.303 -6.644 -8.829 1.00 24.23 C ATOM 0 H ALA A 51 13.299 -5.464 -9.895 1.00 60.21 H new ATOM 0 HA ALA A 51 13.916 -8.248 -9.210 1.00 4.31 H new ATOM 0 HB1 ALA A 51 15.896 -7.206 -8.108 1.00 24.23 H new ATOM 0 HB2 ALA A 51 15.760 -6.723 -9.816 1.00 24.23 H new ATOM 0 HB3 ALA A 51 15.266 -5.597 -8.530 1.00 24.23 H new ATOM 760 N THR A 52 12.430 -6.205 -7.177 1.00 61.35 N ATOM 761 CA THR A 52 11.795 -6.082 -5.852 1.00 10.50 C ATOM 762 C THR A 52 10.470 -6.853 -5.788 1.00 23.03 C ATOM 763 O THR A 52 9.467 -6.425 -6.362 1.00 33.12 O ATOM 764 CB THR A 52 11.533 -4.600 -5.479 1.00 74.22 C ATOM 765 OG1 THR A 52 12.761 -3.857 -5.507 1.00 10.24 O ATOM 766 CG2 THR A 52 10.903 -4.478 -4.092 1.00 61.11 C ATOM 0 H THR A 52 12.173 -5.470 -7.836 1.00 61.35 H new ATOM 0 HA THR A 52 12.495 -6.512 -5.135 1.00 10.50 H new ATOM 0 HB THR A 52 10.838 -4.193 -6.214 1.00 74.22 H new ATOM 0 HG1 THR A 52 13.025 -3.697 -6.437 1.00 10.24 H new ATOM 0 HG21 THR A 52 10.732 -3.426 -3.861 1.00 61.11 H new ATOM 0 HG22 THR A 52 9.953 -5.012 -4.076 1.00 61.11 H new ATOM 0 HG23 THR A 52 11.574 -4.908 -3.349 1.00 61.11 H new ATOM 774 N THR A 53 10.471 -7.985 -5.085 1.00 72.11 N ATOM 775 CA THR A 53 9.276 -8.833 -4.970 1.00 2.53 C ATOM 776 C THR A 53 8.353 -8.376 -3.830 1.00 42.43 C ATOM 777 O THR A 53 8.726 -8.415 -2.658 1.00 32.33 O ATOM 778 CB THR A 53 9.654 -10.318 -4.741 1.00 23.32 C ATOM 779 OG1 THR A 53 10.414 -10.458 -3.530 1.00 74.40 O ATOM 780 CG2 THR A 53 10.459 -10.866 -5.915 1.00 25.35 C ATOM 0 H THR A 53 11.286 -8.340 -4.584 1.00 72.11 H new ATOM 0 HA THR A 53 8.744 -8.735 -5.916 1.00 2.53 H new ATOM 0 HB THR A 53 8.729 -10.889 -4.656 1.00 23.32 H new ATOM 0 HG1 THR A 53 10.077 -9.829 -2.858 1.00 74.40 H new ATOM 0 HG21 THR A 53 10.711 -11.910 -5.728 1.00 25.35 H new ATOM 0 HG22 THR A 53 9.867 -10.794 -6.827 1.00 25.35 H new ATOM 0 HG23 THR A 53 11.375 -10.287 -6.030 1.00 25.35 H new ATOM 788 N VAL A 54 7.146 -7.937 -4.186 1.00 24.15 N ATOM 789 CA VAL A 54 6.136 -7.541 -3.195 1.00 12.23 C ATOM 790 C VAL A 54 5.242 -8.736 -2.818 1.00 41.24 C ATOM 791 O VAL A 54 4.755 -9.462 -3.690 1.00 63.51 O ATOM 792 CB VAL A 54 5.248 -6.383 -3.724 1.00 4.41 C ATOM 793 CG1 VAL A 54 4.252 -5.927 -2.660 1.00 11.54 C ATOM 794 CG2 VAL A 54 6.113 -5.212 -4.191 1.00 71.35 C ATOM 0 H VAL A 54 6.840 -7.845 -5.155 1.00 24.15 H new ATOM 0 HA VAL A 54 6.671 -7.197 -2.310 1.00 12.23 H new ATOM 0 HB VAL A 54 4.682 -6.754 -4.578 1.00 4.41 H new ATOM 0 HG11 VAL A 54 3.642 -5.115 -3.056 1.00 11.54 H new ATOM 0 HG12 VAL A 54 3.608 -6.762 -2.382 1.00 11.54 H new ATOM 0 HG13 VAL A 54 4.793 -5.578 -1.781 1.00 11.54 H new ATOM 0 HG21 VAL A 54 5.472 -4.410 -4.558 1.00 71.35 H new ATOM 0 HG22 VAL A 54 6.711 -4.846 -3.356 1.00 71.35 H new ATOM 0 HG23 VAL A 54 6.774 -5.544 -4.992 1.00 71.35 H new ATOM 804 N LYS A 55 5.030 -8.937 -1.519 1.00 41.34 N ATOM 805 CA LYS A 55 4.232 -10.070 -1.029 1.00 33.30 C ATOM 806 C LYS A 55 3.086 -9.616 -0.110 1.00 53.23 C ATOM 807 O LYS A 55 2.882 -8.423 0.111 1.00 52.15 O ATOM 808 CB LYS A 55 5.133 -11.069 -0.286 1.00 42.41 C ATOM 809 CG LYS A 55 6.218 -11.692 -1.161 1.00 15.12 C ATOM 810 CD LYS A 55 6.987 -12.789 -0.426 1.00 10.25 C ATOM 811 CE LYS A 55 6.078 -13.938 -0.005 1.00 1.51 C ATOM 812 NZ LYS A 55 6.837 -15.048 0.632 1.00 42.31 N ATOM 0 H LYS A 55 5.397 -8.333 -0.784 1.00 41.34 H new ATOM 0 HA LYS A 55 3.786 -10.554 -1.898 1.00 33.30 H new ATOM 0 HB2 LYS A 55 5.605 -10.562 0.555 1.00 42.41 H new ATOM 0 HB3 LYS A 55 4.513 -11.864 0.128 1.00 42.41 H new ATOM 0 HG2 LYS A 55 5.764 -12.108 -2.060 1.00 15.12 H new ATOM 0 HG3 LYS A 55 6.913 -10.917 -1.484 1.00 15.12 H new ATOM 0 HD2 LYS A 55 7.779 -13.171 -1.070 1.00 10.25 H new ATOM 0 HD3 LYS A 55 7.469 -12.366 0.455 1.00 10.25 H new ATOM 0 HE2 LYS A 55 5.325 -13.568 0.691 1.00 1.51 H new ATOM 0 HE3 LYS A 55 5.546 -14.317 -0.878 1.00 1.51 H new ATOM 0 HZ1 LYS A 55 6.180 -15.807 0.902 1.00 42.31 H new ATOM 0 HZ2 LYS A 55 7.538 -15.420 -0.040 1.00 42.31 H new ATOM 0 HZ3 LYS A 55 7.324 -14.694 1.480 1.00 42.31 H new ATOM 826 N ASP A 56 2.346 -10.590 0.423 1.00 33.54 N ATOM 827 CA ASP A 56 1.203 -10.328 1.307 1.00 34.34 C ATOM 828 C ASP A 56 1.614 -9.521 2.552 1.00 32.44 C ATOM 829 O ASP A 56 2.696 -9.719 3.108 1.00 22.41 O ATOM 830 CB ASP A 56 0.572 -11.662 1.732 1.00 2.10 C ATOM 831 CG ASP A 56 -0.719 -11.486 2.516 1.00 14.03 C ATOM 832 OD1 ASP A 56 -0.658 -11.233 3.737 1.00 43.22 O ATOM 833 OD2 ASP A 56 -1.804 -11.607 1.913 1.00 20.20 O ATOM 0 H ASP A 56 2.520 -11.581 0.256 1.00 33.54 H new ATOM 0 HA ASP A 56 0.478 -9.730 0.754 1.00 34.34 H new ATOM 0 HB2 ASP A 56 0.372 -12.262 0.844 1.00 2.10 H new ATOM 0 HB3 ASP A 56 1.286 -12.218 2.339 1.00 2.10 H new ATOM 838 N GLY A 57 0.734 -8.621 2.987 1.00 24.31 N ATOM 839 CA GLY A 57 0.989 -7.821 4.177 1.00 64.13 C ATOM 840 C GLY A 57 2.163 -6.859 4.032 1.00 11.24 C ATOM 841 O GLY A 57 2.888 -6.607 4.998 1.00 2.52 O ATOM 0 H GLY A 57 -0.159 -8.430 2.533 1.00 24.31 H new ATOM 0 HA2 GLY A 57 0.092 -7.251 4.419 1.00 64.13 H new ATOM 0 HA3 GLY A 57 1.180 -8.488 5.018 1.00 64.13 H new ATOM 845 N ASP A 58 2.354 -6.314 2.832 1.00 62.41 N ATOM 846 CA ASP A 58 3.432 -5.348 2.590 1.00 24.02 C ATOM 847 C ASP A 58 2.839 -3.982 2.191 1.00 32.21 C ATOM 848 O ASP A 58 1.620 -3.817 2.165 1.00 11.14 O ATOM 849 CB ASP A 58 4.385 -5.886 1.508 1.00 51.22 C ATOM 850 CG ASP A 58 5.821 -5.447 1.737 1.00 71.00 C ATOM 851 OD1 ASP A 58 6.156 -4.297 1.402 1.00 54.32 O ATOM 852 OD2 ASP A 58 6.615 -6.250 2.276 1.00 53.11 O ATOM 0 H ASP A 58 1.781 -6.521 2.014 1.00 62.41 H new ATOM 0 HA ASP A 58 4.006 -5.208 3.506 1.00 24.02 H new ATOM 0 HB2 ASP A 58 4.338 -6.975 1.494 1.00 51.22 H new ATOM 0 HB3 ASP A 58 4.053 -5.540 0.529 1.00 51.22 H new ATOM 857 N ALA A 59 3.688 -3.004 1.878 1.00 50.11 N ATOM 858 CA ALA A 59 3.213 -1.638 1.626 1.00 22.42 C ATOM 859 C ALA A 59 3.797 -1.024 0.343 1.00 2.54 C ATOM 860 O ALA A 59 4.947 -0.586 0.313 1.00 15.42 O ATOM 861 CB ALA A 59 3.529 -0.750 2.824 1.00 51.11 C ATOM 0 H ALA A 59 4.697 -3.126 1.793 1.00 50.11 H new ATOM 0 HA ALA A 59 2.135 -1.699 1.480 1.00 22.42 H new ATOM 0 HB1 ALA A 59 3.174 0.262 2.630 1.00 51.11 H new ATOM 0 HB2 ALA A 59 3.033 -1.145 3.711 1.00 51.11 H new ATOM 0 HB3 ALA A 59 4.606 -0.731 2.989 1.00 51.11 H new ATOM 867 N VAL A 60 2.985 -0.988 -0.714 1.00 74.32 N ATOM 868 CA VAL A 60 3.348 -0.300 -1.958 1.00 3.40 C ATOM 869 C VAL A 60 2.742 1.115 -1.985 1.00 73.34 C ATOM 870 O VAL A 60 1.523 1.289 -2.060 1.00 14.24 O ATOM 871 CB VAL A 60 2.890 -1.103 -3.207 1.00 61.41 C ATOM 872 CG1 VAL A 60 1.403 -1.451 -3.132 1.00 41.15 C ATOM 873 CG2 VAL A 60 3.207 -0.340 -4.496 1.00 35.42 C ATOM 0 H VAL A 60 2.066 -1.429 -0.735 1.00 74.32 H new ATOM 0 HA VAL A 60 4.435 -0.223 -1.989 1.00 3.40 H new ATOM 0 HB VAL A 60 3.449 -2.039 -3.220 1.00 61.41 H new ATOM 0 HG11 VAL A 60 1.115 -2.012 -4.021 1.00 41.15 H new ATOM 0 HG12 VAL A 60 1.215 -2.055 -2.245 1.00 41.15 H new ATOM 0 HG13 VAL A 60 0.817 -0.534 -3.077 1.00 41.15 H new ATOM 0 HG21 VAL A 60 2.876 -0.924 -5.355 1.00 35.42 H new ATOM 0 HG22 VAL A 60 2.689 0.619 -4.488 1.00 35.42 H new ATOM 0 HG23 VAL A 60 4.282 -0.171 -4.564 1.00 35.42 H new ATOM 883 N GLU A 61 3.594 2.129 -1.895 1.00 63.14 N ATOM 884 CA GLU A 61 3.131 3.519 -1.850 1.00 70.03 C ATOM 885 C GLU A 61 3.280 4.219 -3.211 1.00 10.14 C ATOM 886 O GLU A 61 4.383 4.562 -3.644 1.00 33.02 O ATOM 887 CB GLU A 61 3.869 4.276 -0.737 1.00 22.02 C ATOM 888 CG GLU A 61 3.570 3.707 0.650 1.00 23.25 C ATOM 889 CD GLU A 61 4.344 4.381 1.768 1.00 14.23 C ATOM 890 OE1 GLU A 61 3.955 5.493 2.184 1.00 63.05 O ATOM 891 OE2 GLU A 61 5.323 3.788 2.259 1.00 4.23 O ATOM 0 H GLU A 61 4.607 2.020 -1.852 1.00 63.14 H new ATOM 0 HA GLU A 61 2.065 3.519 -1.622 1.00 70.03 H new ATOM 0 HB2 GLU A 61 4.942 4.232 -0.921 1.00 22.02 H new ATOM 0 HB3 GLU A 61 3.583 5.328 -0.765 1.00 22.02 H new ATOM 0 HG2 GLU A 61 2.503 3.804 0.850 1.00 23.25 H new ATOM 0 HG3 GLU A 61 3.800 2.641 0.653 1.00 23.25 H new ATOM 898 N PHE A 62 2.145 4.397 -3.887 1.00 32.03 N ATOM 899 CA PHE A 62 2.092 5.059 -5.195 1.00 52.43 C ATOM 900 C PHE A 62 2.088 6.585 -5.024 1.00 14.15 C ATOM 901 O PHE A 62 1.158 7.144 -4.444 1.00 53.34 O ATOM 902 CB PHE A 62 0.823 4.608 -5.935 1.00 35.34 C ATOM 903 CG PHE A 62 0.829 4.896 -7.415 1.00 64.32 C ATOM 904 CD1 PHE A 62 1.419 4.004 -8.299 1.00 61.32 C ATOM 905 CD2 PHE A 62 0.241 6.044 -7.925 1.00 4.13 C ATOM 906 CE1 PHE A 62 1.424 4.250 -9.656 1.00 10.14 C ATOM 907 CE2 PHE A 62 0.245 6.297 -9.284 1.00 10.31 C ATOM 908 CZ PHE A 62 0.835 5.398 -10.151 1.00 64.21 C ATOM 0 H PHE A 62 1.235 4.087 -3.545 1.00 32.03 H new ATOM 0 HA PHE A 62 2.973 4.782 -5.775 1.00 52.43 H new ATOM 0 HB2 PHE A 62 0.692 3.536 -5.786 1.00 35.34 H new ATOM 0 HB3 PHE A 62 -0.039 5.100 -5.485 1.00 35.34 H new ATOM 0 HD1 PHE A 62 1.881 3.105 -7.919 1.00 61.32 H new ATOM 0 HD2 PHE A 62 -0.225 6.749 -7.252 1.00 4.13 H new ATOM 0 HE1 PHE A 62 1.888 3.546 -10.331 1.00 10.14 H new ATOM 0 HE2 PHE A 62 -0.213 7.197 -9.668 1.00 10.31 H new ATOM 0 HZ PHE A 62 0.836 5.592 -11.213 1.00 64.21 H new ATOM 918 N LEU A 63 3.119 7.257 -5.530 1.00 21.33 N ATOM 919 CA LEU A 63 3.259 8.704 -5.335 1.00 41.52 C ATOM 920 C LEU A 63 2.361 9.519 -6.289 1.00 51.22 C ATOM 921 O LEU A 63 1.594 8.965 -7.072 1.00 32.31 O ATOM 922 CB LEU A 63 4.733 9.113 -5.494 1.00 25.31 C ATOM 923 CG LEU A 63 5.716 8.391 -4.550 1.00 13.33 C ATOM 924 CD1 LEU A 63 7.138 8.919 -4.736 1.00 62.10 C ATOM 925 CD2 LEU A 63 5.271 8.527 -3.092 1.00 74.55 C ATOM 0 H LEU A 63 3.867 6.829 -6.075 1.00 21.33 H new ATOM 0 HA LEU A 63 2.926 8.932 -4.322 1.00 41.52 H new ATOM 0 HB2 LEU A 63 5.037 8.925 -6.524 1.00 25.31 H new ATOM 0 HB3 LEU A 63 4.816 10.187 -5.328 1.00 25.31 H new ATOM 0 HG LEU A 63 5.713 7.332 -4.807 1.00 13.33 H new ATOM 0 HD11 LEU A 63 7.812 8.394 -4.059 1.00 62.10 H new ATOM 0 HD12 LEU A 63 7.456 8.754 -5.765 1.00 62.10 H new ATOM 0 HD13 LEU A 63 7.161 9.986 -4.516 1.00 62.10 H new ATOM 0 HD21 LEU A 63 5.980 8.010 -2.445 1.00 74.55 H new ATOM 0 HD22 LEU A 63 5.234 9.582 -2.820 1.00 74.55 H new ATOM 0 HD23 LEU A 63 4.281 8.086 -2.971 1.00 74.55 H new ATOM 937 N TYR A 64 2.486 10.844 -6.210 1.00 14.11 N ATOM 938 CA TYR A 64 1.652 11.805 -6.968 1.00 12.31 C ATOM 939 C TYR A 64 1.675 11.620 -8.506 1.00 62.21 C ATOM 940 O TYR A 64 0.987 12.355 -9.221 1.00 40.24 O ATOM 941 CB TYR A 64 2.112 13.229 -6.627 1.00 62.54 C ATOM 942 CG TYR A 64 3.617 13.411 -6.735 1.00 52.12 C ATOM 943 CD1 TYR A 64 4.229 13.701 -7.953 1.00 65.52 C ATOM 944 CD2 TYR A 64 4.427 13.279 -5.613 1.00 61.10 C ATOM 945 CE1 TYR A 64 5.600 13.847 -8.043 1.00 62.02 C ATOM 946 CE2 TYR A 64 5.795 13.428 -5.696 1.00 73.25 C ATOM 947 CZ TYR A 64 6.377 13.711 -6.910 1.00 41.40 C ATOM 948 OH TYR A 64 7.744 13.852 -6.992 1.00 64.03 O ATOM 0 H TYR A 64 3.177 11.297 -5.611 1.00 14.11 H new ATOM 0 HA TYR A 64 0.622 11.618 -6.664 1.00 12.31 H new ATOM 0 HB2 TYR A 64 1.618 13.934 -7.296 1.00 62.54 H new ATOM 0 HB3 TYR A 64 1.794 13.474 -5.614 1.00 62.54 H new ATOM 0 HD1 TYR A 64 3.623 13.813 -8.840 1.00 65.52 H new ATOM 0 HD2 TYR A 64 3.976 13.055 -4.658 1.00 61.10 H new ATOM 0 HE1 TYR A 64 6.061 14.066 -8.995 1.00 62.02 H new ATOM 0 HE2 TYR A 64 6.407 13.323 -4.812 1.00 73.25 H new ATOM 0 HH TYR A 64 8.140 13.727 -6.104 1.00 64.03 H new ATOM 958 N PHE A 65 2.454 10.672 -9.019 1.00 55.33 N ATOM 959 CA PHE A 65 2.572 10.474 -10.470 1.00 42.44 C ATOM 960 C PHE A 65 1.269 9.923 -11.077 1.00 14.35 C ATOM 961 O PHE A 65 1.033 8.714 -11.086 1.00 60.14 O ATOM 962 CB PHE A 65 3.740 9.532 -10.787 1.00 50.25 C ATOM 963 CG PHE A 65 5.082 10.043 -10.321 1.00 61.03 C ATOM 964 CD1 PHE A 65 5.504 9.831 -9.016 1.00 50.31 C ATOM 965 CD2 PHE A 65 5.919 10.733 -11.186 1.00 52.44 C ATOM 966 CE1 PHE A 65 6.733 10.291 -8.588 1.00 31.11 C ATOM 967 CE2 PHE A 65 7.150 11.197 -10.760 1.00 51.22 C ATOM 968 CZ PHE A 65 7.555 10.977 -9.458 1.00 1.13 C ATOM 0 H PHE A 65 3.013 10.029 -8.459 1.00 55.33 H new ATOM 0 HA PHE A 65 2.764 11.448 -10.920 1.00 42.44 H new ATOM 0 HB2 PHE A 65 3.550 8.564 -10.323 1.00 50.25 H new ATOM 0 HB3 PHE A 65 3.779 9.367 -11.864 1.00 50.25 H new ATOM 0 HD1 PHE A 65 4.863 9.300 -8.327 1.00 50.31 H new ATOM 0 HD2 PHE A 65 5.605 10.910 -12.204 1.00 52.44 H new ATOM 0 HE1 PHE A 65 7.051 10.114 -7.571 1.00 31.11 H new ATOM 0 HE2 PHE A 65 7.793 11.730 -11.444 1.00 51.22 H new ATOM 0 HZ PHE A 65 8.514 11.342 -9.121 1.00 1.13 H new ATOM 978 N MET A 66 0.421 10.822 -11.575 1.00 32.53 N ATOM 979 CA MET A 66 -0.860 10.438 -12.178 1.00 3.30 C ATOM 980 C MET A 66 -1.239 11.397 -13.319 1.00 33.32 C ATOM 981 O MET A 66 -0.827 12.559 -13.329 1.00 4.31 O ATOM 982 CB MET A 66 -1.961 10.422 -11.106 1.00 10.41 C ATOM 983 CG MET A 66 -3.298 9.880 -11.596 1.00 22.03 C ATOM 984 SD MET A 66 -4.578 9.910 -10.322 1.00 2.02 S ATOM 985 CE MET A 66 -3.840 8.856 -9.072 1.00 54.43 C ATOM 0 H MET A 66 0.597 11.827 -11.574 1.00 32.53 H new ATOM 0 HA MET A 66 -0.757 9.437 -12.597 1.00 3.30 H new ATOM 0 HB2 MET A 66 -1.624 9.819 -10.263 1.00 10.41 H new ATOM 0 HB3 MET A 66 -2.106 11.436 -10.735 1.00 10.41 H new ATOM 0 HG2 MET A 66 -3.631 10.467 -12.452 1.00 22.03 H new ATOM 0 HG3 MET A 66 -3.163 8.856 -11.945 1.00 22.03 H new ATOM 0 HE1 MET A 66 -4.611 8.516 -8.381 1.00 54.43 H new ATOM 0 HE2 MET A 66 -3.376 7.993 -9.551 1.00 54.43 H new ATOM 0 HE3 MET A 66 -3.083 9.417 -8.524 1.00 54.43 H new ATOM 995 N GLY A 67 -2.020 10.909 -14.282 1.00 35.01 N ATOM 996 CA GLY A 67 -2.431 11.740 -15.411 1.00 34.31 C ATOM 997 C GLY A 67 -2.407 11.001 -16.744 1.00 54.12 C ATOM 998 O GLY A 67 -3.055 11.418 -17.703 1.00 42.41 O ATOM 0 H GLY A 67 -2.377 9.954 -14.303 1.00 35.01 H new ATOM 0 HA2 GLY A 67 -3.438 12.115 -15.229 1.00 34.31 H new ATOM 0 HA3 GLY A 67 -1.774 12.608 -15.473 1.00 34.31 H new ATOM 1002 N GLY A 68 -1.644 9.910 -16.811 1.00 52.43 N ATOM 1003 CA GLY A 68 -1.566 9.114 -18.034 1.00 33.43 C ATOM 1004 C GLY A 68 -0.685 9.742 -19.114 1.00 21.14 C ATOM 1005 O GLY A 68 0.282 9.131 -19.576 1.00 1.25 O ATOM 0 H GLY A 68 -1.076 9.560 -16.039 1.00 52.43 H new ATOM 0 HA2 GLY A 68 -1.179 8.125 -17.790 1.00 33.43 H new ATOM 0 HA3 GLY A 68 -2.571 8.974 -18.432 1.00 33.43 H new ATOM 1009 N GLY A 69 -1.023 10.963 -19.526 1.00 10.14 N ATOM 1010 CA GLY A 69 -0.254 11.653 -20.559 1.00 1.11 C ATOM 1011 C GLY A 69 -0.695 11.284 -21.975 1.00 64.22 C ATOM 1012 O GLY A 69 -0.974 12.160 -22.798 1.00 33.24 O ATOM 0 H GLY A 69 -1.817 11.491 -19.164 1.00 10.14 H new ATOM 0 HA2 GLY A 69 -0.355 12.730 -20.422 1.00 1.11 H new ATOM 0 HA3 GLY A 69 0.803 11.414 -20.439 1.00 1.11 H new ATOM 1016 N LYS A 70 -0.754 9.983 -22.261 1.00 23.25 N ATOM 1017 CA LYS A 70 -1.182 9.495 -23.577 1.00 32.24 C ATOM 1018 C LYS A 70 -2.719 9.482 -23.689 1.00 44.42 C ATOM 1019 O LYS A 70 -3.352 8.430 -23.577 1.00 62.14 O ATOM 1020 CB LYS A 70 -0.599 8.094 -23.838 1.00 0.44 C ATOM 1021 CG LYS A 70 -0.952 7.502 -25.204 1.00 33.24 C ATOM 1022 CD LYS A 70 -0.415 8.343 -26.360 1.00 61.33 C ATOM 1023 CE LYS A 70 -0.701 7.692 -27.712 1.00 44.51 C ATOM 1024 NZ LYS A 70 -0.044 6.363 -27.839 1.00 3.52 N ATOM 0 H LYS A 70 -0.511 9.246 -21.600 1.00 23.25 H new ATOM 0 HA LYS A 70 -0.802 10.176 -24.338 1.00 32.24 H new ATOM 0 HB2 LYS A 70 0.486 8.144 -23.748 1.00 0.44 H new ATOM 0 HB3 LYS A 70 -0.953 7.417 -23.061 1.00 0.44 H new ATOM 0 HG2 LYS A 70 -0.548 6.492 -25.275 1.00 33.24 H new ATOM 0 HG3 LYS A 70 -2.035 7.419 -25.292 1.00 33.24 H new ATOM 0 HD2 LYS A 70 -0.868 9.334 -26.330 1.00 61.33 H new ATOM 0 HD3 LYS A 70 0.660 8.480 -26.242 1.00 61.33 H new ATOM 0 HE2 LYS A 70 -1.778 7.578 -27.839 1.00 44.51 H new ATOM 0 HE3 LYS A 70 -0.353 8.347 -28.511 1.00 44.51 H new ATOM 0 HZ1 LYS A 70 -0.044 6.070 -28.837 1.00 3.52 H new ATOM 0 HZ2 LYS A 70 0.936 6.426 -27.496 1.00 3.52 H new ATOM 0 HZ3 LYS A 70 -0.564 5.663 -27.273 1.00 3.52 H new ATOM 1038 N LEU A 71 -3.290 10.684 -23.856 1.00 31.31 N ATOM 1039 CA LEU A 71 -4.739 10.905 -24.052 1.00 74.42 C ATOM 1040 C LEU A 71 -5.637 9.868 -23.344 1.00 2.32 C ATOM 1041 O LEU A 71 -5.965 8.821 -23.913 1.00 32.02 O ATOM 1042 CB LEU A 71 -5.064 10.956 -25.554 1.00 72.10 C ATOM 1043 CG LEU A 71 -6.528 11.280 -25.909 1.00 14.41 C ATOM 1044 CD1 LEU A 71 -6.953 12.617 -25.306 1.00 61.03 C ATOM 1045 CD2 LEU A 71 -6.724 11.281 -27.424 1.00 61.04 C ATOM 0 H LEU A 71 -2.751 11.550 -23.859 1.00 31.31 H new ATOM 0 HA LEU A 71 -4.966 11.863 -23.583 1.00 74.42 H new ATOM 0 HB2 LEU A 71 -4.422 11.703 -26.021 1.00 72.10 H new ATOM 0 HB3 LEU A 71 -4.807 9.993 -25.996 1.00 72.10 H new ATOM 0 HG LEU A 71 -7.162 10.503 -25.482 1.00 14.41 H new ATOM 0 HD11 LEU A 71 -7.990 12.822 -25.571 1.00 61.03 H new ATOM 0 HD12 LEU A 71 -6.858 12.574 -24.221 1.00 61.03 H new ATOM 0 HD13 LEU A 71 -6.315 13.411 -25.695 1.00 61.03 H new ATOM 0 HD21 LEU A 71 -7.764 11.512 -27.656 1.00 61.04 H new ATOM 0 HD22 LEU A 71 -6.076 12.033 -27.874 1.00 61.04 H new ATOM 0 HD23 LEU A 71 -6.472 10.299 -27.824 1.00 61.04 H new ATOM 1057 N GLU A 72 -6.027 10.155 -22.102 1.00 2.32 N ATOM 1058 CA GLU A 72 -6.960 9.281 -21.369 1.00 34.34 C ATOM 1059 C GLU A 72 -8.390 9.851 -21.380 1.00 55.23 C ATOM 1060 O GLU A 72 -9.365 9.110 -21.241 1.00 12.13 O ATOM 1061 CB GLU A 72 -6.495 9.047 -19.920 1.00 75.50 C ATOM 1062 CG GLU A 72 -6.362 10.314 -19.074 1.00 22.31 C ATOM 1063 CD GLU A 72 -6.218 10.018 -17.583 1.00 15.22 C ATOM 1064 OE1 GLU A 72 -5.354 9.192 -17.209 1.00 63.51 O ATOM 1065 OE2 GLU A 72 -6.985 10.595 -16.777 1.00 12.21 O ATOM 0 H GLU A 72 -5.718 10.976 -21.581 1.00 2.32 H new ATOM 0 HA GLU A 72 -6.967 8.321 -21.885 1.00 34.34 H new ATOM 0 HB2 GLU A 72 -7.200 8.374 -19.432 1.00 75.50 H new ATOM 0 HB3 GLU A 72 -5.531 8.539 -19.941 1.00 75.50 H new ATOM 0 HG2 GLU A 72 -5.495 10.882 -19.412 1.00 22.31 H new ATOM 0 HG3 GLU A 72 -7.237 10.944 -19.232 1.00 22.31 H new ATOM 1072 N HIS A 73 -8.511 11.169 -21.538 1.00 24.50 N ATOM 1073 CA HIS A 73 -9.824 11.828 -21.591 1.00 72.41 C ATOM 1074 C HIS A 73 -9.855 12.980 -22.606 1.00 52.42 C ATOM 1075 O HIS A 73 -9.025 13.888 -22.555 1.00 25.45 O ATOM 1076 CB HIS A 73 -10.221 12.363 -20.204 1.00 35.01 C ATOM 1077 CG HIS A 73 -10.703 11.309 -19.253 1.00 42.41 C ATOM 1078 ND1 HIS A 73 -12.034 10.980 -19.117 1.00 21.33 N ATOM 1079 CD2 HIS A 73 -10.033 10.518 -18.382 1.00 41.54 C ATOM 1080 CE1 HIS A 73 -12.162 10.038 -18.209 1.00 63.25 C ATOM 1081 NE2 HIS A 73 -10.966 9.739 -17.748 1.00 53.14 N ATOM 0 H HIS A 73 -7.719 11.804 -21.632 1.00 24.50 H new ATOM 0 HA HIS A 73 -10.540 11.072 -21.913 1.00 72.41 H new ATOM 0 HB2 HIS A 73 -9.362 12.869 -19.763 1.00 35.01 H new ATOM 0 HB3 HIS A 73 -11.004 13.111 -20.326 1.00 35.01 H new ATOM 0 HD2 HIS A 73 -8.966 10.504 -18.218 1.00 41.54 H new ATOM 0 HE1 HIS A 73 -13.091 9.586 -17.895 1.00 63.25 H new ATOM 0 HE2 HIS A 73 -10.765 9.039 -17.033 1.00 53.14 H new ATOM 1090 N HIS A 74 -10.821 12.937 -23.520 1.00 1.12 N ATOM 1091 CA HIS A 74 -11.088 14.056 -24.432 1.00 30.15 C ATOM 1092 C HIS A 74 -12.557 14.487 -24.307 1.00 1.30 C ATOM 1093 O HIS A 74 -13.469 13.694 -24.543 1.00 4.23 O ATOM 1094 CB HIS A 74 -10.761 13.679 -25.884 1.00 0.44 C ATOM 1095 CG HIS A 74 -10.849 14.846 -26.823 1.00 75.53 C ATOM 1096 ND1 HIS A 74 -11.997 15.183 -27.507 1.00 33.12 N ATOM 1097 CD2 HIS A 74 -9.929 15.778 -27.169 1.00 62.41 C ATOM 1098 CE1 HIS A 74 -11.779 16.264 -28.227 1.00 51.52 C ATOM 1099 NE2 HIS A 74 -10.535 16.646 -28.040 1.00 11.15 N ATOM 0 H HIS A 74 -11.438 12.136 -23.652 1.00 1.12 H new ATOM 0 HA HIS A 74 -10.444 14.890 -24.153 1.00 30.15 H new ATOM 0 HB2 HIS A 74 -9.756 13.259 -25.928 1.00 0.44 H new ATOM 0 HB3 HIS A 74 -11.447 12.900 -26.215 1.00 0.44 H new ATOM 0 HD2 HIS A 74 -8.907 15.828 -26.823 1.00 62.41 H new ATOM 0 HE1 HIS A 74 -12.501 16.754 -28.864 1.00 51.52 H new ATOM 0 HE2 HIS A 74 -10.093 17.457 -28.473 1.00 11.15 H new ATOM 1108 N HIS A 75 -12.780 15.746 -23.943 1.00 63.15 N ATOM 1109 CA HIS A 75 -14.114 16.224 -23.579 1.00 22.00 C ATOM 1110 C HIS A 75 -14.840 16.878 -24.769 1.00 4.42 C ATOM 1111 O HIS A 75 -14.219 17.508 -25.622 1.00 11.22 O ATOM 1112 CB HIS A 75 -13.988 17.229 -22.427 1.00 51.50 C ATOM 1113 CG HIS A 75 -15.192 17.295 -21.541 1.00 34.52 C ATOM 1114 ND1 HIS A 75 -15.237 16.693 -20.304 1.00 1.13 N ATOM 1115 CD2 HIS A 75 -16.400 17.884 -21.713 1.00 62.21 C ATOM 1116 CE1 HIS A 75 -16.412 16.905 -19.753 1.00 35.13 C ATOM 1117 NE2 HIS A 75 -17.137 17.624 -20.586 1.00 33.34 N ATOM 0 H HIS A 75 -12.052 16.458 -23.891 1.00 63.15 H new ATOM 0 HA HIS A 75 -14.710 15.365 -23.270 1.00 22.00 H new ATOM 0 HB2 HIS A 75 -13.119 16.966 -21.823 1.00 51.50 H new ATOM 0 HB3 HIS A 75 -13.800 18.219 -22.842 1.00 51.50 H new ATOM 0 HD2 HIS A 75 -16.722 18.451 -22.574 1.00 62.21 H new ATOM 0 HE1 HIS A 75 -16.729 16.550 -18.783 1.00 35.13 H new ATOM 0 HE2 HIS A 75 -18.093 17.937 -20.419 1.00 33.34 H new ATOM 1126 N HIS A 76 -16.163 16.721 -24.814 1.00 44.41 N ATOM 1127 CA HIS A 76 -16.995 17.402 -25.815 1.00 33.41 C ATOM 1128 C HIS A 76 -17.422 18.790 -25.303 1.00 2.34 C ATOM 1129 O HIS A 76 -18.281 18.903 -24.427 1.00 71.03 O ATOM 1130 CB HIS A 76 -18.232 16.554 -26.145 1.00 61.41 C ATOM 1131 CG HIS A 76 -17.894 15.206 -26.705 1.00 0.33 C ATOM 1132 ND1 HIS A 76 -17.775 14.069 -25.930 1.00 3.53 N ATOM 1133 CD2 HIS A 76 -17.640 14.817 -27.976 1.00 11.12 C ATOM 1134 CE1 HIS A 76 -17.461 13.046 -26.699 1.00 53.12 C ATOM 1135 NE2 HIS A 76 -17.374 13.471 -27.941 1.00 31.21 N ATOM 0 H HIS A 76 -16.685 16.128 -24.169 1.00 44.41 H new ATOM 0 HA HIS A 76 -16.408 17.532 -26.724 1.00 33.41 H new ATOM 0 HB2 HIS A 76 -18.827 16.425 -25.241 1.00 61.41 H new ATOM 0 HB3 HIS A 76 -18.852 17.092 -26.862 1.00 61.41 H new ATOM 0 HD2 HIS A 76 -17.646 15.447 -28.853 1.00 11.12 H new ATOM 0 HE1 HIS A 76 -17.302 12.031 -26.366 1.00 53.12 H new ATOM 0 HE2 HIS A 76 -17.145 12.892 -28.749 1.00 31.21 H new ATOM 1144 N HIS A 77 -16.809 19.837 -25.846 1.00 1.42 N ATOM 1145 CA HIS A 77 -17.056 21.208 -25.392 1.00 51.44 C ATOM 1146 C HIS A 77 -17.007 22.201 -26.565 1.00 40.22 C ATOM 1147 O HIS A 77 -16.246 22.017 -27.516 1.00 61.33 O ATOM 1148 CB HIS A 77 -16.009 21.590 -24.333 1.00 73.12 C ATOM 1149 CG HIS A 77 -16.191 22.958 -23.746 1.00 54.33 C ATOM 1150 ND1 HIS A 77 -15.707 24.106 -24.335 1.00 23.21 N ATOM 1151 CD2 HIS A 77 -16.790 23.355 -22.602 1.00 62.12 C ATOM 1152 CE1 HIS A 77 -15.999 25.143 -23.580 1.00 14.42 C ATOM 1153 NE2 HIS A 77 -16.653 24.717 -22.521 1.00 63.33 N ATOM 0 H HIS A 77 -16.133 19.765 -26.606 1.00 1.42 H new ATOM 0 HA HIS A 77 -18.054 21.255 -24.957 1.00 51.44 H new ATOM 0 HB2 HIS A 77 -16.040 20.856 -23.528 1.00 73.12 H new ATOM 0 HB3 HIS A 77 -15.018 21.530 -24.782 1.00 73.12 H new ATOM 0 HD2 HIS A 77 -17.285 22.718 -21.884 1.00 62.12 H new ATOM 0 HE1 HIS A 77 -15.745 26.171 -23.794 1.00 14.42 H new ATOM 0 HE2 HIS A 77 -17.001 25.304 -21.763 1.00 63.33 H new ATOM 1162 N HIS A 78 -17.824 23.253 -26.496 1.00 41.23 N ATOM 1163 CA HIS A 78 -17.813 24.308 -27.523 1.00 64.30 C ATOM 1164 C HIS A 78 -17.377 25.670 -26.935 1.00 34.24 C ATOM 1165 O HIS A 78 -18.248 26.499 -26.596 1.00 37.44 O ATOM 1166 CB HIS A 78 -19.187 24.403 -28.222 1.00 74.25 C ATOM 1167 CG HIS A 78 -20.366 24.500 -27.295 1.00 34.43 C ATOM 1168 ND1 HIS A 78 -20.787 25.684 -26.729 1.00 62.53 N ATOM 1169 CD2 HIS A 78 -21.230 23.552 -26.854 1.00 54.13 C ATOM 1170 CE1 HIS A 78 -21.851 25.464 -25.985 1.00 43.43 C ATOM 1171 NE2 HIS A 78 -22.141 24.181 -26.044 1.00 10.35 N ATOM 1172 OXT HIS A 78 -16.153 25.896 -26.803 1.00 37.44 O ATOM 0 H HIS A 78 -18.500 23.401 -25.746 1.00 41.23 H new ATOM 0 HA HIS A 78 -17.073 24.036 -28.275 1.00 64.30 H new ATOM 0 HB2 HIS A 78 -19.186 25.275 -28.876 1.00 74.25 H new ATOM 0 HB3 HIS A 78 -19.315 23.527 -28.858 1.00 74.25 H new ATOM 0 HD1 HIS A 78 -20.342 26.592 -26.866 1.00 62.53 H new ATOM 0 HD2 HIS A 78 -21.205 22.500 -27.095 1.00 54.13 H new ATOM 0 HE1 HIS A 78 -22.393 26.209 -25.422 1.00 43.43 H new TER 1181 HIS A 78