USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 651 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 SER OG : rot 180:sc= -0.651 USER MOD Set 1.2: A 61 LYS NZ :NH3+ 180:sc= -1.06 (180deg=-1.06) USER MOD Set 2.1: A 23 TYR OH : rot 165:sc= 0.248 USER MOD Set 2.2: A 87 TYR OH : rot 30:sc= 0.242 USER MOD Set 3.1: A 22 GLN : amide:sc= -2.01 K(o=-4.2,f=-2.9) USER MOD Set 3.2: A 71 ASN : amide:sc= -2.15 K(o=-4.2,f=-2.9) USER MOD Set 4.1: A 15 CYS SG : rot -59:sc= -4.09! USER MOD Set 4.2: A 32 CYS SG : rot -95:sc= -4.21! USER MOD Single : A 9 ASN : amide:sc= -0.0168 K(o=-0.017,f=-1.5!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 14 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.65) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -24:sc= -0.152 USER MOD Single : A 26 ASN : amide:sc= -0.0434 K(o=-0.043,f=-1.9!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 170:sc= -0.0144 (180deg=-0.138) USER MOD Single : A 34 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.7) USER MOD Single : A 37 ASN : amide:sc= -1.67 K(o=-1.7,f=-3.9!) USER MOD Single : A 40 LYS NZ :NH3+ -165:sc=-0.00681 (180deg=-0.186) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 53 ASN : amide:sc= -0.0974 K(o=-0.097,f=-0.75) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 21:sc= 0.152 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.55 K(o=-1.5,f=-8.8!) USER MOD Single : A 65 THR OG1 : rot -61:sc= 0.17 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 73 ASN : amide:sc= -2.33! C(o=-2.3!,f=-8.1!) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 77 ASN : amide:sc= -0.698 K(o=-0.7,f=-2.2!) USER MOD Single : A 78 LYS NZ :NH3+ -166:sc= 0.0306 (180deg=-0.298) USER MOD Single : A 79 THR OG1 : rot 174:sc= -1.51 USER MOD Single : A 80 ASN : amide:sc= -0.897 X(o=-0.9,f=-0.9) USER MOD Single : A 81 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0775) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 86 LYS NZ :NH3+ -132:sc= -0.25 (180deg=-2.01!) USER MOD Single : A 91 THR OG1 : rot 160:sc= -0.439 USER MOD ----------------------------------------------------------------- ATOM 73 N ALA A 7 55.424 -2.229 -1.488 1.00 0.00 N ATOM 74 CA ALA A 7 56.897 -2.383 -1.328 1.00 0.00 C ATOM 75 C ALA A 7 57.195 -3.736 -0.685 1.00 0.00 C ATOM 76 O ALA A 7 58.311 -4.018 -0.298 1.00 0.00 O ATOM 77 CB ALA A 7 57.428 -1.267 -0.429 1.00 0.00 C ATOM 0 HA ALA A 7 57.380 -2.327 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 7 58.506 -1.377 -0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 7 57.210 -0.300 -0.882 1.00 0.00 H new ATOM 0 HB3 ALA A 7 56.947 -1.327 0.547 1.00 0.00 H new ATOM 83 N ASP A 8 56.195 -4.565 -0.546 1.00 0.00 N ATOM 84 CA ASP A 8 56.403 -5.899 0.103 1.00 0.00 C ATOM 85 C ASP A 8 56.579 -6.990 -0.956 1.00 0.00 C ATOM 86 O ASP A 8 56.666 -8.159 -0.630 1.00 0.00 O ATOM 87 CB ASP A 8 55.187 -6.232 0.969 1.00 0.00 C ATOM 88 CG ASP A 8 55.131 -5.273 2.160 1.00 0.00 C ATOM 89 OD1 ASP A 8 56.123 -4.607 2.407 1.00 0.00 O ATOM 90 OD2 ASP A 8 54.094 -5.217 2.801 1.00 0.00 O ATOM 0 H ASP A 8 55.240 -4.379 -0.853 1.00 0.00 H new ATOM 0 HA ASP A 8 57.303 -5.855 0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 8 54.274 -6.150 0.379 1.00 0.00 H new ATOM 0 HB3 ASP A 8 55.248 -7.262 1.320 1.00 0.00 H new ATOM 95 N ASN A 9 56.635 -6.628 -2.217 1.00 0.00 N ATOM 96 CA ASN A 9 56.809 -7.653 -3.297 1.00 0.00 C ATOM 97 C ASN A 9 58.080 -7.328 -4.070 1.00 0.00 C ATOM 98 O ASN A 9 58.384 -7.929 -5.080 1.00 0.00 O ATOM 99 CB ASN A 9 55.609 -7.603 -4.243 1.00 0.00 C ATOM 100 CG ASN A 9 54.369 -8.137 -3.525 1.00 0.00 C ATOM 101 OD1 ASN A 9 54.474 -8.952 -2.628 1.00 0.00 O ATOM 102 ND2 ASN A 9 53.190 -7.706 -3.879 1.00 0.00 N ATOM 0 H ASN A 9 56.568 -5.665 -2.545 1.00 0.00 H new ATOM 0 HA ASN A 9 56.880 -8.650 -2.862 1.00 0.00 H new ATOM 0 HB2 ASN A 9 55.437 -6.579 -4.575 1.00 0.00 H new ATOM 0 HB3 ASN A 9 55.810 -8.198 -5.134 1.00 0.00 H new ATOM 0 HD21 ASN A 9 52.357 -8.052 -3.404 1.00 0.00 H new ATOM 0 HD22 ASN A 9 53.101 -7.023 -4.631 1.00 0.00 H new ATOM 109 N VAL A 10 58.817 -6.362 -3.597 1.00 0.00 N ATOM 110 CA VAL A 10 60.077 -5.951 -4.281 1.00 0.00 C ATOM 111 C VAL A 10 61.176 -5.779 -3.229 1.00 0.00 C ATOM 112 O VAL A 10 60.948 -5.261 -2.154 1.00 0.00 O ATOM 113 CB VAL A 10 59.839 -4.621 -5.024 1.00 0.00 C ATOM 114 CG1 VAL A 10 59.409 -4.896 -6.472 1.00 0.00 C ATOM 115 CG2 VAL A 10 58.733 -3.832 -4.320 1.00 0.00 C ATOM 0 H VAL A 10 58.597 -5.832 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 10 60.382 -6.710 -5.001 1.00 0.00 H new ATOM 0 HB VAL A 10 60.765 -4.047 -5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 10 59.243 -3.950 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 10 60.191 -5.457 -6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 10 58.487 -5.477 -6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 10 58.565 -2.892 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 10 57.813 -4.417 -4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 10 59.032 -3.625 -3.292 1.00 0.00 H new ATOM 125 N ASP A 11 62.365 -6.213 -3.531 1.00 0.00 N ATOM 126 CA ASP A 11 63.479 -6.081 -2.552 1.00 0.00 C ATOM 127 C ASP A 11 64.112 -4.687 -2.689 1.00 0.00 C ATOM 128 O ASP A 11 64.144 -4.127 -3.765 1.00 0.00 O ATOM 129 CB ASP A 11 64.528 -7.152 -2.846 1.00 0.00 C ATOM 130 CG ASP A 11 63.917 -8.532 -2.600 1.00 0.00 C ATOM 131 OD1 ASP A 11 62.720 -8.594 -2.372 1.00 0.00 O ATOM 132 OD2 ASP A 11 64.656 -9.502 -2.642 1.00 0.00 O ATOM 0 H ASP A 11 62.615 -6.655 -4.416 1.00 0.00 H new ATOM 0 HA ASP A 11 63.101 -6.208 -1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 11 64.869 -7.071 -3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 11 65.401 -7.008 -2.209 1.00 0.00 H new ATOM 137 N PRO A 12 64.620 -4.128 -1.615 1.00 0.00 N ATOM 138 CA PRO A 12 65.263 -2.780 -1.646 1.00 0.00 C ATOM 139 C PRO A 12 66.662 -2.834 -2.276 1.00 0.00 C ATOM 140 O PRO A 12 67.192 -1.842 -2.731 1.00 0.00 O ATOM 141 CB PRO A 12 65.347 -2.401 -0.164 1.00 0.00 C ATOM 142 CG PRO A 12 65.496 -3.711 0.538 1.00 0.00 C ATOM 143 CD PRO A 12 64.646 -4.705 -0.256 1.00 0.00 C ATOM 0 HA PRO A 12 64.706 -2.062 -2.247 1.00 0.00 H new ATOM 0 HB2 PRO A 12 66.195 -1.745 0.032 1.00 0.00 H new ATOM 0 HB3 PRO A 12 64.452 -1.872 0.164 1.00 0.00 H new ATOM 0 HG2 PRO A 12 66.540 -4.024 0.566 1.00 0.00 H new ATOM 0 HG3 PRO A 12 65.156 -3.643 1.571 1.00 0.00 H new ATOM 0 HD2 PRO A 12 65.086 -5.702 -0.252 1.00 0.00 H new ATOM 0 HD3 PRO A 12 63.643 -4.797 0.160 1.00 0.00 H new ATOM 151 N SER A 13 67.261 -3.990 -2.299 1.00 0.00 N ATOM 152 CA SER A 13 68.619 -4.118 -2.896 1.00 0.00 C ATOM 153 C SER A 13 68.572 -3.737 -4.378 1.00 0.00 C ATOM 154 O SER A 13 69.481 -3.123 -4.898 1.00 0.00 O ATOM 155 CB SER A 13 69.104 -5.560 -2.745 1.00 0.00 C ATOM 156 OG SER A 13 68.324 -6.410 -3.577 1.00 0.00 O ATOM 0 H SER A 13 66.868 -4.855 -1.929 1.00 0.00 H new ATOM 0 HA SER A 13 69.307 -3.448 -2.381 1.00 0.00 H new ATOM 0 HB2 SER A 13 70.157 -5.632 -3.018 1.00 0.00 H new ATOM 0 HB3 SER A 13 69.022 -5.876 -1.705 1.00 0.00 H new ATOM 0 HG SER A 13 68.635 -7.335 -3.483 1.00 0.00 H new ATOM 162 N GLN A 14 67.519 -4.093 -5.062 1.00 0.00 N ATOM 163 CA GLN A 14 67.420 -3.745 -6.510 1.00 0.00 C ATOM 164 C GLN A 14 67.219 -2.234 -6.657 1.00 0.00 C ATOM 165 O GLN A 14 67.555 -1.647 -7.667 1.00 0.00 O ATOM 166 CB GLN A 14 66.224 -4.480 -7.129 1.00 0.00 C ATOM 167 CG GLN A 14 66.194 -4.264 -8.648 1.00 0.00 C ATOM 168 CD GLN A 14 67.333 -5.049 -9.302 1.00 0.00 C ATOM 169 OE1 GLN A 14 68.434 -4.550 -9.430 1.00 0.00 O ATOM 170 NE2 GLN A 14 67.113 -6.265 -9.721 1.00 0.00 N ATOM 0 H GLN A 14 66.725 -4.608 -4.683 1.00 0.00 H new ATOM 0 HA GLN A 14 68.336 -4.043 -7.021 1.00 0.00 H new ATOM 0 HB2 GLN A 14 66.289 -5.545 -6.908 1.00 0.00 H new ATOM 0 HB3 GLN A 14 65.297 -4.118 -6.685 1.00 0.00 H new ATOM 0 HG2 GLN A 14 65.236 -4.589 -9.053 1.00 0.00 H new ATOM 0 HG3 GLN A 14 66.293 -3.203 -8.876 1.00 0.00 H new ATOM 0 HE21 GLN A 14 66.189 -6.682 -9.613 1.00 0.00 H new ATOM 0 HE22 GLN A 14 67.865 -6.798 -10.157 1.00 0.00 H new ATOM 179 N CYS A 15 66.669 -1.599 -5.660 1.00 0.00 N ATOM 180 CA CYS A 15 66.438 -0.130 -5.753 1.00 0.00 C ATOM 181 C CYS A 15 67.775 0.608 -5.746 1.00 0.00 C ATOM 182 O CYS A 15 67.909 1.662 -6.337 1.00 0.00 O ATOM 183 CB CYS A 15 65.596 0.333 -4.567 1.00 0.00 C ATOM 184 SG CYS A 15 63.900 -0.268 -4.758 1.00 0.00 S ATOM 0 H CYS A 15 66.370 -2.032 -4.786 1.00 0.00 H new ATOM 0 HA CYS A 15 65.911 0.089 -6.682 1.00 0.00 H new ATOM 0 HB2 CYS A 15 66.023 -0.041 -3.636 1.00 0.00 H new ATOM 0 HB3 CYS A 15 65.603 1.421 -4.506 1.00 0.00 H new ATOM 0 HG CYS A 15 63.401 0.188 -5.868 1.00 0.00 H new ATOM 189 N ILE A 16 68.765 0.060 -5.083 1.00 0.00 N ATOM 190 CA ILE A 16 70.109 0.722 -5.030 1.00 0.00 C ATOM 191 C ILE A 16 71.169 -0.256 -5.539 1.00 0.00 C ATOM 192 O ILE A 16 71.160 -1.425 -5.207 1.00 0.00 O ATOM 193 CB ILE A 16 70.424 1.124 -3.579 1.00 0.00 C ATOM 194 CG1 ILE A 16 70.558 -0.139 -2.678 1.00 0.00 C ATOM 195 CG2 ILE A 16 69.291 2.017 -3.059 1.00 0.00 C ATOM 196 CD1 ILE A 16 72.038 -0.467 -2.431 1.00 0.00 C ATOM 0 H ILE A 16 68.700 -0.821 -4.574 1.00 0.00 H new ATOM 0 HA ILE A 16 70.108 1.614 -5.656 1.00 0.00 H new ATOM 0 HB ILE A 16 71.370 1.665 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 16 70.053 0.030 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 16 70.066 -0.987 -3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 16 69.501 2.310 -2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 16 69.215 2.908 -3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 16 68.350 1.468 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 16 72.114 -1.352 -1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 16 72.532 -0.657 -3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 16 72.519 0.375 -1.934 1.00 0.00 H new ATOM 208 N LYS A 17 72.080 0.220 -6.354 1.00 0.00 N ATOM 209 CA LYS A 17 73.154 -0.662 -6.914 1.00 0.00 C ATOM 210 C LYS A 17 74.521 -0.110 -6.504 1.00 0.00 C ATOM 211 O LYS A 17 74.684 1.081 -6.314 1.00 0.00 O ATOM 212 CB LYS A 17 73.054 -0.671 -8.440 1.00 0.00 C ATOM 213 CG LYS A 17 71.795 -1.428 -8.865 1.00 0.00 C ATOM 214 CD LYS A 17 71.697 -1.435 -10.391 1.00 0.00 C ATOM 215 CE LYS A 17 70.440 -2.190 -10.817 1.00 0.00 C ATOM 216 NZ LYS A 17 70.349 -2.192 -12.302 1.00 0.00 N ATOM 0 H LYS A 17 72.126 1.192 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 17 73.035 -1.676 -6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 17 73.022 0.351 -8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 17 73.937 -1.143 -8.870 1.00 0.00 H new ATOM 0 HG2 LYS A 17 71.827 -2.450 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 17 70.911 -0.956 -8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 17 71.666 -0.413 -10.769 1.00 0.00 H new ATOM 0 HD3 LYS A 17 72.581 -1.907 -10.821 1.00 0.00 H new ATOM 0 HE2 LYS A 17 70.471 -3.213 -10.441 1.00 0.00 H new ATOM 0 HE3 LYS A 17 69.556 -1.719 -10.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 69.494 -2.705 -12.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 70.301 -1.212 -12.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 71.188 -2.660 -12.701 1.00 0.00 H new ATOM 230 N GLN A 18 75.510 -0.959 -6.361 1.00 0.00 N ATOM 231 CA GLN A 18 76.861 -0.462 -5.959 1.00 0.00 C ATOM 232 C GLN A 18 77.692 -0.165 -7.208 1.00 0.00 C ATOM 233 O GLN A 18 77.951 -1.034 -8.017 1.00 0.00 O ATOM 234 CB GLN A 18 77.575 -1.511 -5.095 1.00 0.00 C ATOM 235 CG GLN A 18 77.619 -2.862 -5.816 1.00 0.00 C ATOM 236 CD GLN A 18 78.000 -3.957 -4.821 1.00 0.00 C ATOM 237 OE1 GLN A 18 78.970 -3.829 -4.100 1.00 0.00 O ATOM 238 NE2 GLN A 18 77.268 -5.035 -4.745 1.00 0.00 N ATOM 0 H GLN A 18 75.440 -1.967 -6.504 1.00 0.00 H new ATOM 0 HA GLN A 18 76.745 0.452 -5.377 1.00 0.00 H new ATOM 0 HB2 GLN A 18 78.589 -1.178 -4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 18 77.058 -1.618 -4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 18 76.648 -3.081 -6.260 1.00 0.00 H new ATOM 0 HG3 GLN A 18 78.342 -2.828 -6.631 1.00 0.00 H new ATOM 0 HE21 GLN A 18 76.454 -5.142 -5.350 1.00 0.00 H new ATOM 0 HE22 GLN A 18 77.510 -5.770 -4.080 1.00 0.00 H new ATOM 247 N SER A 19 78.113 1.066 -7.369 1.00 0.00 N ATOM 248 CA SER A 19 78.938 1.455 -8.556 1.00 0.00 C ATOM 249 C SER A 19 80.243 2.093 -8.071 1.00 0.00 C ATOM 250 O SER A 19 80.234 2.969 -7.233 1.00 0.00 O ATOM 251 CB SER A 19 78.158 2.463 -9.403 1.00 0.00 C ATOM 252 OG SER A 19 76.944 1.867 -9.844 1.00 0.00 O ATOM 0 H SER A 19 77.917 1.828 -6.720 1.00 0.00 H new ATOM 0 HA SER A 19 79.163 0.574 -9.157 1.00 0.00 H new ATOM 0 HB2 SER A 19 77.946 3.359 -8.819 1.00 0.00 H new ATOM 0 HB3 SER A 19 78.755 2.775 -10.260 1.00 0.00 H new ATOM 0 HG SER A 19 76.441 2.511 -10.385 1.00 0.00 H new ATOM 258 N GLY A 20 81.362 1.679 -8.593 1.00 0.00 N ATOM 259 CA GLY A 20 82.655 2.287 -8.160 1.00 0.00 C ATOM 260 C GLY A 20 82.719 2.381 -6.629 1.00 0.00 C ATOM 261 O GLY A 20 83.066 3.409 -6.079 1.00 0.00 O ATOM 0 H GLY A 20 81.440 0.948 -9.300 1.00 0.00 H new ATOM 0 HA2 GLY A 20 83.487 1.687 -8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 20 82.761 3.280 -8.596 1.00 0.00 H new ATOM 265 N VAL A 21 82.398 1.321 -5.940 1.00 0.00 N ATOM 266 CA VAL A 21 82.451 1.342 -4.445 1.00 0.00 C ATOM 267 C VAL A 21 81.564 2.467 -3.895 1.00 0.00 C ATOM 268 O VAL A 21 81.809 3.006 -2.836 1.00 0.00 O ATOM 269 CB VAL A 21 83.903 1.552 -3.996 1.00 0.00 C ATOM 270 CG1 VAL A 21 84.067 1.167 -2.519 1.00 0.00 C ATOM 271 CG2 VAL A 21 84.822 0.671 -4.847 1.00 0.00 C ATOM 0 H VAL A 21 82.099 0.435 -6.348 1.00 0.00 H new ATOM 0 HA VAL A 21 82.082 0.392 -4.059 1.00 0.00 H new ATOM 0 HB VAL A 21 84.164 2.603 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 21 85.102 1.322 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 21 83.413 1.787 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 21 83.802 0.118 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 21 85.856 0.815 -4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 21 84.546 -0.375 -4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 21 84.719 0.946 -5.897 1.00 0.00 H new ATOM 281 N GLN A 22 80.518 2.804 -4.602 1.00 0.00 N ATOM 282 CA GLN A 22 79.573 3.870 -4.129 1.00 0.00 C ATOM 283 C GLN A 22 78.150 3.341 -4.231 1.00 0.00 C ATOM 284 O GLN A 22 77.900 2.360 -4.892 1.00 0.00 O ATOM 285 CB GLN A 22 79.710 5.139 -4.976 1.00 0.00 C ATOM 286 CG GLN A 22 80.987 5.870 -4.578 1.00 0.00 C ATOM 287 CD GLN A 22 81.132 7.138 -5.417 1.00 0.00 C ATOM 288 OE1 GLN A 22 81.912 8.010 -5.090 1.00 0.00 O ATOM 289 NE2 GLN A 22 80.404 7.283 -6.489 1.00 0.00 N ATOM 0 H GLN A 22 80.272 2.384 -5.498 1.00 0.00 H new ATOM 0 HA GLN A 22 79.812 4.123 -3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 22 79.738 4.883 -6.035 1.00 0.00 H new ATOM 0 HB3 GLN A 22 78.845 5.785 -4.827 1.00 0.00 H new ATOM 0 HG2 GLN A 22 80.958 6.124 -3.518 1.00 0.00 H new ATOM 0 HG3 GLN A 22 81.851 5.222 -4.727 1.00 0.00 H new ATOM 0 HE21 GLN A 22 79.749 6.551 -6.764 1.00 0.00 H new ATOM 0 HE22 GLN A 22 80.489 8.129 -7.053 1.00 0.00 H new ATOM 298 N TYR A 23 77.214 3.994 -3.591 1.00 0.00 N ATOM 299 CA TYR A 23 75.782 3.547 -3.651 1.00 0.00 C ATOM 300 C TYR A 23 74.935 4.676 -4.237 1.00 0.00 C ATOM 301 O TYR A 23 75.096 5.829 -3.887 1.00 0.00 O ATOM 302 CB TYR A 23 75.278 3.216 -2.239 1.00 0.00 C ATOM 303 CG TYR A 23 75.776 1.848 -1.824 1.00 0.00 C ATOM 304 CD1 TYR A 23 75.288 0.706 -2.474 1.00 0.00 C ATOM 305 CD2 TYR A 23 76.711 1.717 -0.790 1.00 0.00 C ATOM 306 CE1 TYR A 23 75.735 -0.562 -2.093 1.00 0.00 C ATOM 307 CE2 TYR A 23 77.158 0.444 -0.411 1.00 0.00 C ATOM 308 CZ TYR A 23 76.669 -0.694 -1.063 1.00 0.00 C ATOM 309 OH TYR A 23 77.112 -1.948 -0.691 1.00 0.00 O ATOM 0 H TYR A 23 77.378 4.825 -3.023 1.00 0.00 H new ATOM 0 HA TYR A 23 75.705 2.657 -4.276 1.00 0.00 H new ATOM 0 HB2 TYR A 23 75.626 3.970 -1.533 1.00 0.00 H new ATOM 0 HB3 TYR A 23 74.188 3.238 -2.217 1.00 0.00 H new ATOM 0 HD1 TYR A 23 74.565 0.806 -3.270 1.00 0.00 H new ATOM 0 HD2 TYR A 23 77.087 2.595 -0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 23 75.358 -1.441 -2.595 1.00 0.00 H new ATOM 0 HE2 TYR A 23 77.881 0.341 0.385 1.00 0.00 H new ATOM 0 HH TYR A 23 77.915 -1.860 -0.137 1.00 0.00 H new ATOM 319 N THR A 24 74.029 4.353 -5.124 1.00 0.00 N ATOM 320 CA THR A 24 73.161 5.405 -5.737 1.00 0.00 C ATOM 321 C THR A 24 71.731 4.878 -5.869 1.00 0.00 C ATOM 322 O THR A 24 71.499 3.690 -5.983 1.00 0.00 O ATOM 323 CB THR A 24 73.703 5.777 -7.118 1.00 0.00 C ATOM 324 OG1 THR A 24 73.877 4.598 -7.890 1.00 0.00 O ATOM 325 CG2 THR A 24 75.043 6.496 -6.962 1.00 0.00 C ATOM 0 H THR A 24 73.852 3.403 -5.452 1.00 0.00 H new ATOM 0 HA THR A 24 73.161 6.290 -5.100 1.00 0.00 H new ATOM 0 HB THR A 24 72.998 6.437 -7.623 1.00 0.00 H new ATOM 0 HG1 THR A 24 74.223 4.835 -8.776 1.00 0.00 H new ATOM 0 HG21 THR A 24 75.430 6.762 -7.946 1.00 0.00 H new ATOM 0 HG22 THR A 24 74.904 7.401 -6.370 1.00 0.00 H new ATOM 0 HG23 THR A 24 75.752 5.839 -6.458 1.00 0.00 H new ATOM 333 N TYR A 25 70.774 5.762 -5.844 1.00 0.00 N ATOM 334 CA TYR A 25 69.350 5.339 -5.956 1.00 0.00 C ATOM 335 C TYR A 25 69.010 5.097 -7.430 1.00 0.00 C ATOM 336 O TYR A 25 69.229 5.944 -8.274 1.00 0.00 O ATOM 337 CB TYR A 25 68.466 6.457 -5.392 1.00 0.00 C ATOM 338 CG TYR A 25 67.077 5.936 -5.105 1.00 0.00 C ATOM 339 CD1 TYR A 25 66.090 5.976 -6.096 1.00 0.00 C ATOM 340 CD2 TYR A 25 66.775 5.432 -3.833 1.00 0.00 C ATOM 341 CE1 TYR A 25 64.799 5.512 -5.814 1.00 0.00 C ATOM 342 CE2 TYR A 25 65.487 4.965 -3.554 1.00 0.00 C ATOM 343 CZ TYR A 25 64.499 5.006 -4.544 1.00 0.00 C ATOM 344 OH TYR A 25 63.225 4.557 -4.264 1.00 0.00 O ATOM 0 H TYR A 25 70.918 6.767 -5.750 1.00 0.00 H new ATOM 0 HA TYR A 25 69.181 4.418 -5.397 1.00 0.00 H new ATOM 0 HB2 TYR A 25 68.909 6.853 -4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 25 68.412 7.281 -6.104 1.00 0.00 H new ATOM 0 HD1 TYR A 25 66.323 6.364 -7.077 1.00 0.00 H new ATOM 0 HD2 TYR A 25 67.537 5.404 -3.068 1.00 0.00 H new ATOM 0 HE1 TYR A 25 64.035 5.545 -6.577 1.00 0.00 H new ATOM 0 HE2 TYR A 25 65.255 4.573 -2.575 1.00 0.00 H new ATOM 0 HH TYR A 25 62.586 4.990 -4.868 1.00 0.00 H new ATOM 354 N ASN A 26 68.478 3.944 -7.745 1.00 0.00 N ATOM 355 CA ASN A 26 68.124 3.642 -9.162 1.00 0.00 C ATOM 356 C ASN A 26 66.749 4.227 -9.488 1.00 0.00 C ATOM 357 O ASN A 26 65.747 3.541 -9.437 1.00 0.00 O ATOM 358 CB ASN A 26 68.083 2.126 -9.368 1.00 0.00 C ATOM 359 CG ASN A 26 67.947 1.822 -10.862 1.00 0.00 C ATOM 360 OD1 ASN A 26 68.189 2.677 -11.689 1.00 0.00 O ATOM 361 ND2 ASN A 26 67.565 0.633 -11.244 1.00 0.00 N ATOM 0 H ASN A 26 68.274 3.198 -7.080 1.00 0.00 H new ATOM 0 HA ASN A 26 68.874 4.084 -9.818 1.00 0.00 H new ATOM 0 HB2 ASN A 26 68.991 1.669 -8.973 1.00 0.00 H new ATOM 0 HB3 ASN A 26 67.245 1.695 -8.820 1.00 0.00 H new ATOM 0 HD21 ASN A 26 67.470 0.423 -12.238 1.00 0.00 H new ATOM 0 HD22 ASN A 26 67.362 -0.085 -10.549 1.00 0.00 H new ATOM 368 N SER A 27 66.691 5.483 -9.830 1.00 0.00 N ATOM 369 CA SER A 27 65.377 6.096 -10.165 1.00 0.00 C ATOM 370 C SER A 27 64.963 5.650 -11.569 1.00 0.00 C ATOM 371 O SER A 27 63.857 5.891 -12.008 1.00 0.00 O ATOM 372 CB SER A 27 65.485 7.620 -10.123 1.00 0.00 C ATOM 373 OG SER A 27 66.121 8.080 -11.308 1.00 0.00 O ATOM 0 H SER A 27 67.494 6.110 -9.892 1.00 0.00 H new ATOM 0 HA SER A 27 64.631 5.775 -9.438 1.00 0.00 H new ATOM 0 HB2 SER A 27 64.493 8.064 -10.033 1.00 0.00 H new ATOM 0 HB3 SER A 27 66.054 7.931 -9.247 1.00 0.00 H new ATOM 0 HG SER A 27 66.190 9.057 -11.284 1.00 0.00 H new ATOM 379 N GLY A 28 65.850 5.002 -12.280 1.00 0.00 N ATOM 380 CA GLY A 28 65.511 4.543 -13.657 1.00 0.00 C ATOM 381 C GLY A 28 64.245 3.691 -13.606 1.00 0.00 C ATOM 382 O GLY A 28 63.385 3.791 -14.458 1.00 0.00 O ATOM 0 H GLY A 28 66.793 4.772 -11.965 1.00 0.00 H new ATOM 0 HA2 GLY A 28 65.360 5.401 -14.312 1.00 0.00 H new ATOM 0 HA3 GLY A 28 66.336 3.965 -14.074 1.00 0.00 H new ATOM 386 N VAL A 29 64.109 2.862 -12.606 1.00 0.00 N ATOM 387 CA VAL A 29 62.880 2.026 -12.504 1.00 0.00 C ATOM 388 C VAL A 29 61.774 2.867 -11.866 1.00 0.00 C ATOM 389 O VAL A 29 61.959 3.485 -10.837 1.00 0.00 O ATOM 390 CB VAL A 29 63.157 0.783 -11.648 1.00 0.00 C ATOM 391 CG1 VAL A 29 63.943 -0.242 -12.468 1.00 0.00 C ATOM 392 CG2 VAL A 29 63.972 1.171 -10.412 1.00 0.00 C ATOM 0 H VAL A 29 64.792 2.728 -11.860 1.00 0.00 H new ATOM 0 HA VAL A 29 62.571 1.697 -13.496 1.00 0.00 H new ATOM 0 HB VAL A 29 62.207 0.351 -11.334 1.00 0.00 H new ATOM 0 HG11 VAL A 29 64.138 -1.124 -11.858 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.362 -0.529 -13.345 1.00 0.00 H new ATOM 0 HG13 VAL A 29 64.889 0.195 -12.787 1.00 0.00 H new ATOM 0 HG21 VAL A 29 64.164 0.283 -9.810 1.00 0.00 H new ATOM 0 HG22 VAL A 29 64.920 1.610 -10.724 1.00 0.00 H new ATOM 0 HG23 VAL A 29 63.413 1.896 -9.821 1.00 0.00 H new ATOM 402 N SER A 30 60.632 2.916 -12.484 1.00 0.00 N ATOM 403 CA SER A 30 59.519 3.735 -11.935 1.00 0.00 C ATOM 404 C SER A 30 59.026 3.148 -10.613 1.00 0.00 C ATOM 405 O SER A 30 58.462 3.846 -9.801 1.00 0.00 O ATOM 406 CB SER A 30 58.365 3.754 -12.935 1.00 0.00 C ATOM 407 OG SER A 30 57.906 2.425 -13.145 1.00 0.00 O ATOM 0 H SER A 30 60.419 2.422 -13.351 1.00 0.00 H new ATOM 0 HA SER A 30 59.881 4.748 -11.760 1.00 0.00 H new ATOM 0 HB2 SER A 30 57.553 4.377 -12.560 1.00 0.00 H new ATOM 0 HB3 SER A 30 58.692 4.192 -13.878 1.00 0.00 H new ATOM 0 HG SER A 30 57.164 2.433 -13.785 1.00 0.00 H new ATOM 413 N VAL A 31 59.214 1.877 -10.397 1.00 0.00 N ATOM 414 CA VAL A 31 58.723 1.263 -9.128 1.00 0.00 C ATOM 415 C VAL A 31 59.386 1.946 -7.926 1.00 0.00 C ATOM 416 O VAL A 31 58.724 2.337 -6.987 1.00 0.00 O ATOM 417 CB VAL A 31 59.061 -0.229 -9.115 1.00 0.00 C ATOM 418 CG1 VAL A 31 58.744 -0.820 -7.738 1.00 0.00 C ATOM 419 CG2 VAL A 31 58.236 -0.953 -10.182 1.00 0.00 C ATOM 0 H VAL A 31 59.683 1.238 -11.039 1.00 0.00 H new ATOM 0 HA VAL A 31 57.643 1.393 -9.065 1.00 0.00 H new ATOM 0 HB VAL A 31 60.122 -0.357 -9.327 1.00 0.00 H new ATOM 0 HG11 VAL A 31 58.986 -1.883 -7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 31 59.336 -0.310 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 31 57.684 -0.689 -7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 31 58.479 -2.016 -10.171 1.00 0.00 H new ATOM 0 HG22 VAL A 31 57.174 -0.821 -9.973 1.00 0.00 H new ATOM 0 HG23 VAL A 31 58.467 -0.539 -11.163 1.00 0.00 H new ATOM 429 N CYS A 32 60.683 2.090 -7.939 1.00 0.00 N ATOM 430 CA CYS A 32 61.360 2.747 -6.784 1.00 0.00 C ATOM 431 C CYS A 32 60.855 4.185 -6.653 1.00 0.00 C ATOM 432 O CYS A 32 60.619 4.684 -5.563 1.00 0.00 O ATOM 433 CB CYS A 32 62.870 2.752 -7.019 1.00 0.00 C ATOM 434 SG CYS A 32 63.456 1.046 -7.164 1.00 0.00 S ATOM 0 H CYS A 32 61.299 1.784 -8.692 1.00 0.00 H new ATOM 0 HA CYS A 32 61.138 2.200 -5.868 1.00 0.00 H new ATOM 0 HB2 CYS A 32 63.107 3.309 -7.926 1.00 0.00 H new ATOM 0 HB3 CYS A 32 63.377 3.254 -6.195 1.00 0.00 H new ATOM 0 HG CYS A 32 63.886 0.635 -6.008 1.00 0.00 H new ATOM 439 N MET A 33 60.674 4.859 -7.756 1.00 0.00 N ATOM 440 CA MET A 33 60.177 6.257 -7.694 1.00 0.00 C ATOM 441 C MET A 33 58.659 6.230 -7.491 1.00 0.00 C ATOM 442 O MET A 33 58.052 7.219 -7.128 1.00 0.00 O ATOM 443 CB MET A 33 60.526 6.979 -9.006 1.00 0.00 C ATOM 444 CG MET A 33 60.526 8.497 -8.789 1.00 0.00 C ATOM 445 SD MET A 33 62.118 8.998 -8.083 1.00 0.00 S ATOM 446 CE MET A 33 61.521 10.410 -7.120 1.00 0.00 C ATOM 0 H MET A 33 60.849 4.500 -8.695 1.00 0.00 H new ATOM 0 HA MET A 33 60.644 6.789 -6.865 1.00 0.00 H new ATOM 0 HB2 MET A 33 61.505 6.654 -9.359 1.00 0.00 H new ATOM 0 HB3 MET A 33 59.804 6.714 -9.779 1.00 0.00 H new ATOM 0 HG2 MET A 33 60.356 9.012 -9.735 1.00 0.00 H new ATOM 0 HG3 MET A 33 59.713 8.781 -8.121 1.00 0.00 H new ATOM 0 HE1 MET A 33 62.315 10.763 -6.461 1.00 0.00 H new ATOM 0 HE2 MET A 33 61.227 11.213 -7.796 1.00 0.00 H new ATOM 0 HE3 MET A 33 60.662 10.106 -6.522 1.00 0.00 H new ATOM 456 N GLN A 34 58.042 5.095 -7.706 1.00 0.00 N ATOM 457 CA GLN A 34 56.568 4.999 -7.505 1.00 0.00 C ATOM 458 C GLN A 34 56.261 5.261 -6.032 1.00 0.00 C ATOM 459 O GLN A 34 55.299 5.919 -5.694 1.00 0.00 O ATOM 460 CB GLN A 34 56.072 3.602 -7.895 1.00 0.00 C ATOM 461 CG GLN A 34 54.545 3.575 -7.897 1.00 0.00 C ATOM 462 CD GLN A 34 54.027 4.422 -9.061 1.00 0.00 C ATOM 463 OE1 GLN A 34 53.769 5.598 -8.903 1.00 0.00 O ATOM 464 NE2 GLN A 34 53.867 3.873 -10.236 1.00 0.00 N ATOM 0 H GLN A 34 58.496 4.234 -8.011 1.00 0.00 H new ATOM 0 HA GLN A 34 56.063 5.734 -8.131 1.00 0.00 H new ATOM 0 HB2 GLN A 34 56.451 3.334 -8.882 1.00 0.00 H new ATOM 0 HB3 GLN A 34 56.457 2.861 -7.194 1.00 0.00 H new ATOM 0 HG2 GLN A 34 54.188 2.549 -7.991 1.00 0.00 H new ATOM 0 HG3 GLN A 34 54.162 3.961 -6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 34 54.083 2.885 -10.371 1.00 0.00 H new ATOM 0 HE22 GLN A 34 53.526 4.432 -11.018 1.00 0.00 H new ATOM 473 N GLY A 35 57.078 4.743 -5.153 1.00 0.00 N ATOM 474 CA GLY A 35 56.849 4.957 -3.696 1.00 0.00 C ATOM 475 C GLY A 35 57.205 6.400 -3.330 1.00 0.00 C ATOM 476 O GLY A 35 56.466 7.070 -2.636 1.00 0.00 O ATOM 0 H GLY A 35 57.896 4.179 -5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.807 4.754 -3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 35 57.457 4.263 -3.116 1.00 0.00 H new ATOM 480 N LEU A 36 58.324 6.890 -3.804 1.00 0.00 N ATOM 481 CA LEU A 36 58.703 8.303 -3.489 1.00 0.00 C ATOM 482 C LEU A 36 57.629 9.243 -4.045 1.00 0.00 C ATOM 483 O LEU A 36 57.218 10.192 -3.405 1.00 0.00 O ATOM 484 CB LEU A 36 60.048 8.645 -4.145 1.00 0.00 C ATOM 485 CG LEU A 36 61.215 8.031 -3.347 1.00 0.00 C ATOM 486 CD1 LEU A 36 62.443 7.892 -4.256 1.00 0.00 C ATOM 487 CD2 LEU A 36 61.581 8.940 -2.159 1.00 0.00 C ATOM 0 H LEU A 36 58.985 6.380 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 36 58.787 8.419 -2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 36 60.064 8.271 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 36 60.167 9.727 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 36 60.909 7.052 -2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 36 63.267 7.458 -3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 36 62.200 7.245 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 36 62.735 8.875 -4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.407 8.496 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 36 61.879 9.921 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 36 60.717 9.047 -1.503 1.00 0.00 H new ATOM 499 N ASN A 37 57.181 8.976 -5.238 1.00 0.00 N ATOM 500 CA ASN A 37 56.139 9.832 -5.868 1.00 0.00 C ATOM 501 C ASN A 37 54.882 9.815 -5.002 1.00 0.00 C ATOM 502 O ASN A 37 54.217 10.817 -4.824 1.00 0.00 O ATOM 503 CB ASN A 37 55.809 9.278 -7.253 1.00 0.00 C ATOM 504 CG ASN A 37 56.996 9.506 -8.188 1.00 0.00 C ATOM 505 OD1 ASN A 37 57.830 10.351 -7.935 1.00 0.00 O ATOM 506 ND2 ASN A 37 57.112 8.776 -9.264 1.00 0.00 N ATOM 0 H ASN A 37 57.496 8.192 -5.810 1.00 0.00 H new ATOM 0 HA ASN A 37 56.505 10.855 -5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 37 55.584 8.214 -7.187 1.00 0.00 H new ATOM 0 HB3 ASN A 37 54.920 9.768 -7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 37 57.903 8.916 -9.892 1.00 0.00 H new ATOM 0 HD22 ASN A 37 56.411 8.066 -9.477 1.00 0.00 H new ATOM 513 N GLU A 38 54.550 8.672 -4.473 1.00 0.00 N ATOM 514 CA GLU A 38 53.335 8.560 -3.624 1.00 0.00 C ATOM 515 C GLU A 38 53.647 9.071 -2.220 1.00 0.00 C ATOM 516 O GLU A 38 52.765 9.249 -1.404 1.00 0.00 O ATOM 517 CB GLU A 38 52.915 7.090 -3.546 1.00 0.00 C ATOM 518 CG GLU A 38 52.399 6.633 -4.913 1.00 0.00 C ATOM 519 CD GLU A 38 51.057 7.308 -5.205 1.00 0.00 C ATOM 520 OE1 GLU A 38 50.297 7.500 -4.269 1.00 0.00 O ATOM 521 OE2 GLU A 38 50.812 7.621 -6.358 1.00 0.00 O ATOM 0 H GLU A 38 55.073 7.805 -4.594 1.00 0.00 H new ATOM 0 HA GLU A 38 52.529 9.153 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 38 53.761 6.475 -3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 38 52.139 6.962 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 38 53.121 6.886 -5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 38 52.283 5.549 -4.926 1.00 0.00 H new ATOM 528 N GLY A 39 54.897 9.313 -1.932 1.00 0.00 N ATOM 529 CA GLY A 39 55.264 9.815 -0.581 1.00 0.00 C ATOM 530 C GLY A 39 55.069 8.698 0.445 1.00 0.00 C ATOM 531 O GLY A 39 54.746 8.950 1.589 1.00 0.00 O ATOM 0 H GLY A 39 55.678 9.184 -2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 39 56.300 10.152 -0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 39 54.647 10.675 -0.320 1.00 0.00 H new ATOM 535 N LYS A 40 55.268 7.463 0.047 1.00 0.00 N ATOM 536 CA LYS A 40 55.101 6.319 0.994 1.00 0.00 C ATOM 537 C LYS A 40 56.484 5.803 1.347 1.00 0.00 C ATOM 538 O LYS A 40 56.658 4.943 2.187 1.00 0.00 O ATOM 539 CB LYS A 40 54.293 5.210 0.316 1.00 0.00 C ATOM 540 CG LYS A 40 52.861 5.699 0.081 1.00 0.00 C ATOM 541 CD LYS A 40 52.046 4.595 -0.596 1.00 0.00 C ATOM 542 CE LYS A 40 50.612 5.083 -0.829 1.00 0.00 C ATOM 543 NZ LYS A 40 49.895 5.163 0.478 1.00 0.00 N ATOM 0 H LYS A 40 55.541 7.199 -0.900 1.00 0.00 H new ATOM 0 HA LYS A 40 54.574 6.638 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 40 54.756 4.935 -0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 40 54.287 4.316 0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 40 52.400 5.976 1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 40 52.869 6.593 -0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 40 52.506 4.320 -1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 40 52.040 3.700 0.026 1.00 0.00 H new ATOM 0 HE2 LYS A 40 50.623 6.061 -1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 40 50.090 4.403 -1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 48.872 5.243 0.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 50.088 4.305 1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 50.225 5.997 1.005 1.00 0.00 H new ATOM 557 N VAL A 41 57.476 6.345 0.696 1.00 0.00 N ATOM 558 CA VAL A 41 58.881 5.935 0.948 1.00 0.00 C ATOM 559 C VAL A 41 59.734 7.190 1.096 1.00 0.00 C ATOM 560 O VAL A 41 59.398 8.249 0.602 1.00 0.00 O ATOM 561 CB VAL A 41 59.393 5.113 -0.233 1.00 0.00 C ATOM 562 CG1 VAL A 41 60.855 4.739 -0.024 1.00 0.00 C ATOM 563 CG2 VAL A 41 58.551 3.839 -0.387 1.00 0.00 C ATOM 0 H VAL A 41 57.367 7.069 -0.014 1.00 0.00 H new ATOM 0 HA VAL A 41 58.936 5.333 1.855 1.00 0.00 H new ATOM 0 HB VAL A 41 59.308 5.714 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 41 61.206 4.153 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 41 61.454 5.646 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 41 60.953 4.150 0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 41 58.922 3.258 -1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 41 58.622 3.243 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 41 57.510 4.110 -0.562 1.00 0.00 H new ATOM 573 N ARG A 42 60.840 7.061 1.761 1.00 0.00 N ATOM 574 CA ARG A 42 61.769 8.218 1.959 1.00 0.00 C ATOM 575 C ARG A 42 63.110 7.848 1.347 1.00 0.00 C ATOM 576 O ARG A 42 64.015 8.654 1.253 1.00 0.00 O ATOM 577 CB ARG A 42 61.957 8.489 3.454 1.00 0.00 C ATOM 578 CG ARG A 42 60.607 8.820 4.090 1.00 0.00 C ATOM 579 CD ARG A 42 60.820 9.331 5.517 1.00 0.00 C ATOM 580 NE ARG A 42 59.498 9.476 6.197 1.00 0.00 N ATOM 581 CZ ARG A 42 59.007 8.506 6.930 1.00 0.00 C ATOM 582 NH1 ARG A 42 59.662 7.385 7.077 1.00 0.00 N ATOM 583 NH2 ARG A 42 57.849 8.659 7.513 1.00 0.00 N ATOM 0 H ARG A 42 61.153 6.189 2.187 1.00 0.00 H new ATOM 0 HA ARG A 42 61.359 9.112 1.489 1.00 0.00 H new ATOM 0 HB2 ARG A 42 62.395 7.617 3.940 1.00 0.00 H new ATOM 0 HB3 ARG A 42 62.651 9.317 3.599 1.00 0.00 H new ATOM 0 HG2 ARG A 42 60.090 9.574 3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 42 59.973 7.934 4.102 1.00 0.00 H new ATOM 0 HD2 ARG A 42 61.452 8.638 6.072 1.00 0.00 H new ATOM 0 HD3 ARG A 42 61.338 10.290 5.498 1.00 0.00 H new ATOM 0 HE ARG A 42 58.970 10.342 6.090 1.00 0.00 H new ATOM 0 HH11 ARG A 42 60.565 7.258 6.619 1.00 0.00 H new ATOM 0 HH12 ARG A 42 59.271 6.637 7.650 1.00 0.00 H new ATOM 0 HH21 ARG A 42 57.331 9.530 7.397 1.00 0.00 H new ATOM 0 HH22 ARG A 42 57.462 7.908 8.084 1.00 0.00 H new ATOM 597 N GLY A 43 63.237 6.619 0.927 1.00 0.00 N ATOM 598 CA GLY A 43 64.521 6.156 0.309 1.00 0.00 C ATOM 599 C GLY A 43 64.854 4.765 0.837 1.00 0.00 C ATOM 600 O GLY A 43 64.021 4.107 1.420 1.00 0.00 O ATOM 0 H GLY A 43 62.506 5.910 0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 43 64.430 6.134 -0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 43 65.326 6.852 0.547 1.00 0.00 H new ATOM 604 N VAL A 44 66.066 4.306 0.636 1.00 0.00 N ATOM 605 CA VAL A 44 66.462 2.943 1.124 1.00 0.00 C ATOM 606 C VAL A 44 67.624 3.078 2.106 1.00 0.00 C ATOM 607 O VAL A 44 68.643 3.657 1.799 1.00 0.00 O ATOM 608 CB VAL A 44 66.908 2.100 -0.074 1.00 0.00 C ATOM 609 CG1 VAL A 44 67.516 0.776 0.413 1.00 0.00 C ATOM 610 CG2 VAL A 44 65.696 1.809 -0.960 1.00 0.00 C ATOM 0 H VAL A 44 66.803 4.819 0.152 1.00 0.00 H new ATOM 0 HA VAL A 44 65.618 2.465 1.621 1.00 0.00 H new ATOM 0 HB VAL A 44 67.660 2.648 -0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.831 0.183 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.378 0.983 1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.771 0.222 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 44 66.006 1.209 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 44 64.948 1.262 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.268 2.748 -1.312 1.00 0.00 H new ATOM 620 N SER A 45 67.485 2.530 3.281 1.00 0.00 N ATOM 621 CA SER A 45 68.586 2.612 4.276 1.00 0.00 C ATOM 622 C SER A 45 69.623 1.542 3.950 1.00 0.00 C ATOM 623 O SER A 45 69.291 0.399 3.709 1.00 0.00 O ATOM 624 CB SER A 45 68.027 2.370 5.679 1.00 0.00 C ATOM 625 OG SER A 45 67.299 3.517 6.095 1.00 0.00 O ATOM 0 H SER A 45 66.654 2.028 3.594 1.00 0.00 H new ATOM 0 HA SER A 45 69.046 3.599 4.239 1.00 0.00 H new ATOM 0 HB2 SER A 45 67.379 1.493 5.679 1.00 0.00 H new ATOM 0 HB3 SER A 45 68.839 2.167 6.377 1.00 0.00 H new ATOM 0 HG SER A 45 66.937 3.367 6.993 1.00 0.00 H new ATOM 631 N VAL A 46 70.880 1.907 3.942 1.00 0.00 N ATOM 632 CA VAL A 46 71.959 0.921 3.633 1.00 0.00 C ATOM 633 C VAL A 46 73.027 0.983 4.718 1.00 0.00 C ATOM 634 O VAL A 46 73.496 2.041 5.089 1.00 0.00 O ATOM 635 CB VAL A 46 72.595 1.252 2.275 1.00 0.00 C ATOM 636 CG1 VAL A 46 73.403 2.550 2.373 1.00 0.00 C ATOM 637 CG2 VAL A 46 73.530 0.113 1.854 1.00 0.00 C ATOM 0 H VAL A 46 71.207 2.853 4.138 1.00 0.00 H new ATOM 0 HA VAL A 46 71.530 -0.080 3.595 1.00 0.00 H new ATOM 0 HB VAL A 46 71.802 1.374 1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 46 73.849 2.775 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 46 72.744 3.367 2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.191 2.433 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 46 73.980 0.350 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 46 74.314 -0.009 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 46 72.961 -0.813 1.771 1.00 0.00 H new ATOM 647 N SER A 47 73.420 -0.156 5.214 1.00 0.00 N ATOM 648 CA SER A 47 74.475 -0.219 6.268 1.00 0.00 C ATOM 649 C SER A 47 75.592 -1.113 5.751 1.00 0.00 C ATOM 650 O SER A 47 75.354 -2.029 4.988 1.00 0.00 O ATOM 651 CB SER A 47 73.896 -0.815 7.551 1.00 0.00 C ATOM 652 OG SER A 47 73.977 -2.233 7.488 1.00 0.00 O ATOM 0 H SER A 47 73.049 -1.063 4.930 1.00 0.00 H new ATOM 0 HA SER A 47 74.850 0.780 6.489 1.00 0.00 H new ATOM 0 HB2 SER A 47 74.445 -0.446 8.417 1.00 0.00 H new ATOM 0 HB3 SER A 47 72.859 -0.504 7.675 1.00 0.00 H new ATOM 0 HG SER A 47 73.608 -2.619 8.310 1.00 0.00 H new ATOM 658 N GLY A 48 76.810 -0.850 6.134 1.00 0.00 N ATOM 659 CA GLY A 48 77.944 -1.695 5.624 1.00 0.00 C ATOM 660 C GLY A 48 78.990 -1.920 6.712 1.00 0.00 C ATOM 661 O GLY A 48 79.311 -1.031 7.472 1.00 0.00 O ATOM 0 H GLY A 48 77.075 -0.098 6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 48 77.560 -2.655 5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 48 78.406 -1.209 4.765 1.00 0.00 H new ATOM 665 N VAL A 49 79.537 -3.112 6.775 1.00 0.00 N ATOM 666 CA VAL A 49 80.586 -3.423 7.797 1.00 0.00 C ATOM 667 C VAL A 49 81.840 -3.951 7.102 1.00 0.00 C ATOM 668 O VAL A 49 81.783 -4.859 6.298 1.00 0.00 O ATOM 669 CB VAL A 49 80.075 -4.493 8.771 1.00 0.00 C ATOM 670 CG1 VAL A 49 81.189 -4.855 9.759 1.00 0.00 C ATOM 671 CG2 VAL A 49 78.871 -3.950 9.550 1.00 0.00 C ATOM 0 H VAL A 49 79.299 -3.888 6.157 1.00 0.00 H new ATOM 0 HA VAL A 49 80.819 -2.511 8.346 1.00 0.00 H new ATOM 0 HB VAL A 49 79.777 -5.378 8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.828 -5.615 10.452 1.00 0.00 H new ATOM 0 HG12 VAL A 49 82.049 -5.242 9.212 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.484 -3.966 10.317 1.00 0.00 H new ATOM 0 HG21 VAL A 49 78.511 -4.712 10.241 1.00 0.00 H new ATOM 0 HG22 VAL A 49 79.170 -3.064 10.111 1.00 0.00 H new ATOM 0 HG23 VAL A 49 78.075 -3.687 8.853 1.00 0.00 H new ATOM 681 N PHE A 50 82.981 -3.398 7.427 1.00 0.00 N ATOM 682 CA PHE A 50 84.260 -3.870 6.816 1.00 0.00 C ATOM 683 C PHE A 50 85.008 -4.715 7.856 1.00 0.00 C ATOM 684 O PHE A 50 85.432 -4.222 8.882 1.00 0.00 O ATOM 685 CB PHE A 50 85.109 -2.649 6.417 1.00 0.00 C ATOM 686 CG PHE A 50 84.644 -2.108 5.074 1.00 0.00 C ATOM 687 CD1 PHE A 50 85.131 -2.679 3.890 1.00 0.00 C ATOM 688 CD2 PHE A 50 83.732 -1.041 5.009 1.00 0.00 C ATOM 689 CE1 PHE A 50 84.708 -2.189 2.648 1.00 0.00 C ATOM 690 CE2 PHE A 50 83.313 -0.553 3.766 1.00 0.00 C ATOM 691 CZ PHE A 50 83.801 -1.127 2.587 1.00 0.00 C ATOM 0 H PHE A 50 83.082 -2.634 8.095 1.00 0.00 H new ATOM 0 HA PHE A 50 84.064 -4.470 5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 50 85.026 -1.874 7.179 1.00 0.00 H new ATOM 0 HB3 PHE A 50 86.161 -2.930 6.361 1.00 0.00 H new ATOM 0 HD1 PHE A 50 85.833 -3.498 3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 50 83.354 -0.597 5.918 1.00 0.00 H new ATOM 0 HE1 PHE A 50 85.083 -2.632 1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 50 82.612 0.267 3.717 1.00 0.00 H new ATOM 0 HZ PHE A 50 83.477 -0.749 1.629 1.00 0.00 H new ATOM 701 N TYR A 51 85.170 -5.989 7.602 1.00 0.00 N ATOM 702 CA TYR A 51 85.882 -6.871 8.579 1.00 0.00 C ATOM 703 C TYR A 51 87.383 -6.805 8.313 1.00 0.00 C ATOM 704 O TYR A 51 87.821 -6.920 7.190 1.00 0.00 O ATOM 705 CB TYR A 51 85.396 -8.313 8.411 1.00 0.00 C ATOM 706 CG TYR A 51 84.010 -8.451 9.002 1.00 0.00 C ATOM 707 CD1 TYR A 51 82.919 -7.851 8.365 1.00 0.00 C ATOM 708 CD2 TYR A 51 83.816 -9.183 10.181 1.00 0.00 C ATOM 709 CE1 TYR A 51 81.633 -7.980 8.905 1.00 0.00 C ATOM 710 CE2 TYR A 51 82.533 -9.312 10.722 1.00 0.00 C ATOM 711 CZ TYR A 51 81.440 -8.711 10.084 1.00 0.00 C ATOM 712 OH TYR A 51 80.174 -8.840 10.616 1.00 0.00 O ATOM 0 H TYR A 51 84.840 -6.458 6.759 1.00 0.00 H new ATOM 0 HA TYR A 51 85.675 -6.536 9.595 1.00 0.00 H new ATOM 0 HB2 TYR A 51 85.381 -8.582 7.355 1.00 0.00 H new ATOM 0 HB3 TYR A 51 86.084 -9.000 8.905 1.00 0.00 H new ATOM 0 HD1 TYR A 51 83.068 -7.288 7.456 1.00 0.00 H new ATOM 0 HD2 TYR A 51 84.658 -9.648 10.672 1.00 0.00 H new ATOM 0 HE1 TYR A 51 80.791 -7.516 8.413 1.00 0.00 H new ATOM 0 HE2 TYR A 51 82.385 -9.875 11.632 1.00 0.00 H new ATOM 0 HH TYR A 51 80.216 -9.378 11.434 1.00 0.00 H new ATOM 722 N TYR A 52 88.175 -6.606 9.340 1.00 0.00 N ATOM 723 CA TYR A 52 89.659 -6.517 9.155 1.00 0.00 C ATOM 724 C TYR A 52 90.341 -7.672 9.891 1.00 0.00 C ATOM 725 O TYR A 52 90.038 -7.950 11.036 1.00 0.00 O ATOM 726 CB TYR A 52 90.150 -5.192 9.741 1.00 0.00 C ATOM 727 CG TYR A 52 89.420 -4.045 9.078 1.00 0.00 C ATOM 728 CD1 TYR A 52 89.572 -3.823 7.705 1.00 0.00 C ATOM 729 CD2 TYR A 52 88.587 -3.208 9.834 1.00 0.00 C ATOM 730 CE1 TYR A 52 88.894 -2.767 7.087 1.00 0.00 C ATOM 731 CE2 TYR A 52 87.909 -2.151 9.215 1.00 0.00 C ATOM 732 CZ TYR A 52 88.064 -1.931 7.841 1.00 0.00 C ATOM 733 OH TYR A 52 87.397 -0.891 7.230 1.00 0.00 O ATOM 0 H TYR A 52 87.856 -6.501 10.303 1.00 0.00 H new ATOM 0 HA TYR A 52 89.900 -6.573 8.093 1.00 0.00 H new ATOM 0 HB2 TYR A 52 89.978 -5.172 10.817 1.00 0.00 H new ATOM 0 HB3 TYR A 52 91.224 -5.090 9.588 1.00 0.00 H new ATOM 0 HD1 TYR A 52 90.213 -4.467 7.122 1.00 0.00 H new ATOM 0 HD2 TYR A 52 88.468 -3.379 10.894 1.00 0.00 H new ATOM 0 HE1 TYR A 52 89.012 -2.597 6.027 1.00 0.00 H new ATOM 0 HE2 TYR A 52 87.267 -1.506 9.797 1.00 0.00 H new ATOM 0 HH TYR A 52 86.863 -0.409 7.895 1.00 0.00 H new ATOM 743 N ASN A 53 91.277 -8.335 9.260 1.00 0.00 N ATOM 744 CA ASN A 53 91.983 -9.448 9.953 1.00 0.00 C ATOM 745 C ASN A 53 92.603 -8.880 11.226 1.00 0.00 C ATOM 746 O ASN A 53 93.070 -9.600 12.087 1.00 0.00 O ATOM 747 CB ASN A 53 93.087 -10.023 9.051 1.00 0.00 C ATOM 748 CG ASN A 53 93.444 -11.440 9.516 1.00 0.00 C ATOM 749 OD1 ASN A 53 92.570 -12.251 9.749 1.00 0.00 O ATOM 750 ND2 ASN A 53 94.698 -11.773 9.664 1.00 0.00 N ATOM 0 H ASN A 53 91.579 -8.154 8.303 1.00 0.00 H new ATOM 0 HA ASN A 53 91.283 -10.250 10.187 1.00 0.00 H new ATOM 0 HB2 ASN A 53 92.750 -10.043 8.015 1.00 0.00 H new ATOM 0 HB3 ASN A 53 93.970 -9.384 9.087 1.00 0.00 H new ATOM 0 HD21 ASN A 53 94.943 -12.713 9.975 1.00 0.00 H new ATOM 0 HD22 ASN A 53 95.433 -11.093 9.469 1.00 0.00 H new ATOM 757 N ASP A 54 92.610 -7.581 11.339 1.00 0.00 N ATOM 758 CA ASP A 54 93.197 -6.940 12.540 1.00 0.00 C ATOM 759 C ASP A 54 92.330 -7.285 13.750 1.00 0.00 C ATOM 760 O ASP A 54 92.600 -6.881 14.864 1.00 0.00 O ATOM 761 CB ASP A 54 93.221 -5.422 12.337 1.00 0.00 C ATOM 762 CG ASP A 54 94.054 -4.768 13.440 1.00 0.00 C ATOM 763 OD1 ASP A 54 93.574 -4.708 14.560 1.00 0.00 O ATOM 764 OD2 ASP A 54 95.158 -4.341 13.146 1.00 0.00 O ATOM 0 H ASP A 54 92.232 -6.936 10.646 1.00 0.00 H new ATOM 0 HA ASP A 54 94.214 -7.297 12.702 1.00 0.00 H new ATOM 0 HB2 ASP A 54 93.641 -5.183 11.360 1.00 0.00 H new ATOM 0 HB3 ASP A 54 92.205 -5.027 12.352 1.00 0.00 H new ATOM 769 N GLY A 55 91.292 -8.049 13.533 1.00 0.00 N ATOM 770 CA GLY A 55 90.403 -8.450 14.658 1.00 0.00 C ATOM 771 C GLY A 55 89.441 -7.313 15.002 1.00 0.00 C ATOM 772 O GLY A 55 88.911 -7.260 16.093 1.00 0.00 O ATOM 0 H GLY A 55 91.022 -8.413 12.619 1.00 0.00 H new ATOM 0 HA2 GLY A 55 89.840 -9.343 14.386 1.00 0.00 H new ATOM 0 HA3 GLY A 55 91.003 -8.706 15.532 1.00 0.00 H new ATOM 776 N THR A 56 89.218 -6.395 14.090 1.00 0.00 N ATOM 777 CA THR A 56 88.291 -5.249 14.379 1.00 0.00 C ATOM 778 C THR A 56 87.281 -5.070 13.254 1.00 0.00 C ATOM 779 O THR A 56 87.538 -5.385 12.114 1.00 0.00 O ATOM 780 CB THR A 56 89.104 -3.967 14.546 1.00 0.00 C ATOM 781 OG1 THR A 56 90.036 -3.850 13.481 1.00 0.00 O ATOM 782 CG2 THR A 56 89.843 -4.010 15.879 1.00 0.00 C ATOM 0 H THR A 56 89.636 -6.388 13.160 1.00 0.00 H new ATOM 0 HA THR A 56 87.747 -5.466 15.298 1.00 0.00 H new ATOM 0 HB THR A 56 88.436 -3.106 14.530 1.00 0.00 H new ATOM 0 HG1 THR A 56 90.555 -3.026 13.590 1.00 0.00 H new ATOM 0 HG21 THR A 56 90.425 -3.096 16.002 1.00 0.00 H new ATOM 0 HG22 THR A 56 89.122 -4.093 16.692 1.00 0.00 H new ATOM 0 HG23 THR A 56 90.511 -4.871 15.897 1.00 0.00 H new ATOM 790 N THR A 57 86.123 -4.555 13.582 1.00 0.00 N ATOM 791 CA THR A 57 85.058 -4.335 12.553 1.00 0.00 C ATOM 792 C THR A 57 84.532 -2.904 12.666 1.00 0.00 C ATOM 793 O THR A 57 84.295 -2.401 13.746 1.00 0.00 O ATOM 794 CB THR A 57 83.904 -5.310 12.811 1.00 0.00 C ATOM 795 OG1 THR A 57 83.370 -5.072 14.107 1.00 0.00 O ATOM 796 CG2 THR A 57 84.425 -6.748 12.729 1.00 0.00 C ATOM 0 H THR A 57 85.866 -4.274 14.528 1.00 0.00 H new ATOM 0 HA THR A 57 85.471 -4.499 11.558 1.00 0.00 H new ATOM 0 HB THR A 57 83.125 -5.163 12.063 1.00 0.00 H new ATOM 0 HG1 THR A 57 83.605 -4.166 14.396 1.00 0.00 H new ATOM 0 HG21 THR A 57 83.605 -7.443 12.912 1.00 0.00 H new ATOM 0 HG22 THR A 57 84.839 -6.929 11.737 1.00 0.00 H new ATOM 0 HG23 THR A 57 85.202 -6.897 13.479 1.00 0.00 H new ATOM 804 N SER A 58 84.328 -2.256 11.549 1.00 0.00 N ATOM 805 CA SER A 58 83.796 -0.858 11.551 1.00 0.00 C ATOM 806 C SER A 58 82.439 -0.880 10.865 1.00 0.00 C ATOM 807 O SER A 58 82.214 -1.678 9.984 1.00 0.00 O ATOM 808 CB SER A 58 84.740 0.053 10.763 1.00 0.00 C ATOM 809 OG SER A 58 86.024 0.047 11.372 1.00 0.00 O ATOM 0 H SER A 58 84.510 -2.640 10.622 1.00 0.00 H new ATOM 0 HA SER A 58 83.711 -0.485 12.572 1.00 0.00 H new ATOM 0 HB2 SER A 58 84.814 -0.288 9.731 1.00 0.00 H new ATOM 0 HB3 SER A 58 84.344 1.068 10.735 1.00 0.00 H new ATOM 0 HG SER A 58 86.629 0.629 10.866 1.00 0.00 H new ATOM 815 N ASN A 59 81.533 -0.020 11.250 1.00 0.00 N ATOM 816 CA ASN A 59 80.188 -0.008 10.595 1.00 0.00 C ATOM 817 C ASN A 59 79.755 1.423 10.342 1.00 0.00 C ATOM 818 O ASN A 59 79.712 2.246 11.236 1.00 0.00 O ATOM 819 CB ASN A 59 79.156 -0.665 11.498 1.00 0.00 C ATOM 820 CG ASN A 59 77.833 -0.822 10.744 1.00 0.00 C ATOM 821 OD1 ASN A 59 77.628 -0.207 9.716 1.00 0.00 O ATOM 822 ND2 ASN A 59 76.918 -1.624 11.217 1.00 0.00 N ATOM 0 H ASN A 59 81.664 0.673 11.987 1.00 0.00 H new ATOM 0 HA ASN A 59 80.259 -0.555 9.655 1.00 0.00 H new ATOM 0 HB2 ASN A 59 79.515 -1.640 11.827 1.00 0.00 H new ATOM 0 HB3 ASN A 59 79.006 -0.062 12.393 1.00 0.00 H new ATOM 0 HD21 ASN A 59 76.032 -1.734 10.724 1.00 0.00 H new ATOM 0 HD22 ASN A 59 77.089 -2.141 12.080 1.00 0.00 H new ATOM 829 N PHE A 60 79.396 1.700 9.128 1.00 0.00 N ATOM 830 CA PHE A 60 78.906 3.061 8.755 1.00 0.00 C ATOM 831 C PHE A 60 77.461 2.927 8.308 1.00 0.00 C ATOM 832 O PHE A 60 77.133 2.107 7.472 1.00 0.00 O ATOM 833 CB PHE A 60 79.724 3.635 7.605 1.00 0.00 C ATOM 834 CG PHE A 60 79.302 5.064 7.363 1.00 0.00 C ATOM 835 CD1 PHE A 60 78.195 5.338 6.552 1.00 0.00 C ATOM 836 CD2 PHE A 60 80.018 6.115 7.950 1.00 0.00 C ATOM 837 CE1 PHE A 60 77.802 6.664 6.328 1.00 0.00 C ATOM 838 CE2 PHE A 60 79.625 7.439 7.726 1.00 0.00 C ATOM 839 CZ PHE A 60 78.518 7.713 6.915 1.00 0.00 C ATOM 0 H PHE A 60 79.419 1.032 8.358 1.00 0.00 H new ATOM 0 HA PHE A 60 78.999 3.728 9.612 1.00 0.00 H new ATOM 0 HB2 PHE A 60 80.787 3.592 7.842 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.574 3.041 6.704 1.00 0.00 H new ATOM 0 HD1 PHE A 60 77.644 4.527 6.099 1.00 0.00 H new ATOM 0 HD2 PHE A 60 80.873 5.904 8.575 1.00 0.00 H new ATOM 0 HE1 PHE A 60 76.947 6.876 5.703 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.176 8.250 8.179 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.216 8.735 6.742 1.00 0.00 H new ATOM 849 N LYS A 61 76.601 3.725 8.855 1.00 0.00 N ATOM 850 CA LYS A 61 75.163 3.679 8.489 1.00 0.00 C ATOM 851 C LYS A 61 74.805 4.984 7.798 1.00 0.00 C ATOM 852 O LYS A 61 75.314 6.039 8.123 1.00 0.00 O ATOM 853 CB LYS A 61 74.319 3.517 9.758 1.00 0.00 C ATOM 854 CG LYS A 61 72.814 3.521 9.430 1.00 0.00 C ATOM 855 CD LYS A 61 72.456 2.328 8.537 1.00 0.00 C ATOM 856 CE LYS A 61 70.944 2.110 8.554 1.00 0.00 C ATOM 857 NZ LYS A 61 70.268 3.305 7.974 1.00 0.00 N ATOM 0 H LYS A 61 76.837 4.425 9.558 1.00 0.00 H new ATOM 0 HA LYS A 61 74.967 2.838 7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 61 74.583 2.584 10.257 1.00 0.00 H new ATOM 0 HB3 LYS A 61 74.544 4.325 10.454 1.00 0.00 H new ATOM 0 HG2 LYS A 61 72.235 3.479 10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 61 72.548 4.451 8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 61 72.796 2.509 7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 61 72.967 1.432 8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 61 70.687 1.219 7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 61 70.600 1.943 9.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 69.238 3.160 7.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 70.505 4.146 8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 70.589 3.444 6.994 1.00 0.00 H new ATOM 871 N GLY A 62 73.938 4.915 6.848 1.00 0.00 N ATOM 872 CA GLY A 62 73.531 6.150 6.116 1.00 0.00 C ATOM 873 C GLY A 62 72.291 5.863 5.273 1.00 0.00 C ATOM 874 O GLY A 62 71.941 4.725 5.040 1.00 0.00 O ATOM 0 H GLY A 62 73.484 4.056 6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 62 73.324 6.952 6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 62 74.346 6.491 5.477 1.00 0.00 H new ATOM 878 N VAL A 63 71.622 6.893 4.816 1.00 0.00 N ATOM 879 CA VAL A 63 70.392 6.702 3.984 1.00 0.00 C ATOM 880 C VAL A 63 70.695 7.123 2.548 1.00 0.00 C ATOM 881 O VAL A 63 71.195 8.204 2.299 1.00 0.00 O ATOM 882 CB VAL A 63 69.264 7.575 4.537 1.00 0.00 C ATOM 883 CG1 VAL A 63 67.983 7.316 3.743 1.00 0.00 C ATOM 884 CG2 VAL A 63 69.028 7.237 6.012 1.00 0.00 C ATOM 0 H VAL A 63 71.877 7.866 4.985 1.00 0.00 H new ATOM 0 HA VAL A 63 70.088 5.655 4.009 1.00 0.00 H new ATOM 0 HB VAL A 63 69.542 8.625 4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 63 67.179 7.938 4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 63 68.150 7.560 2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.706 6.266 3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 63 68.224 7.860 6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 63 68.751 6.187 6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 63 69.940 7.423 6.578 1.00 0.00 H new ATOM 894 N VAL A 64 70.407 6.275 1.596 1.00 0.00 N ATOM 895 CA VAL A 64 70.689 6.622 0.174 1.00 0.00 C ATOM 896 C VAL A 64 69.465 7.278 -0.458 1.00 0.00 C ATOM 897 O VAL A 64 68.408 6.682 -0.572 1.00 0.00 O ATOM 898 CB VAL A 64 71.012 5.350 -0.608 1.00 0.00 C ATOM 899 CG1 VAL A 64 71.504 5.723 -2.007 1.00 0.00 C ATOM 900 CG2 VAL A 64 72.097 4.562 0.119 1.00 0.00 C ATOM 0 H VAL A 64 69.988 5.357 1.743 1.00 0.00 H new ATOM 0 HA VAL A 64 71.534 7.310 0.144 1.00 0.00 H new ATOM 0 HB VAL A 64 70.114 4.738 -0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 64 71.735 4.816 -2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.728 6.283 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.401 6.337 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.325 3.655 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 64 72.996 5.173 0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 64 71.746 4.294 1.116 1.00 0.00 H new ATOM 910 N THR A 65 69.620 8.497 -0.899 1.00 0.00 N ATOM 911 CA THR A 65 68.508 9.230 -1.571 1.00 0.00 C ATOM 912 C THR A 65 69.088 9.844 -2.849 1.00 0.00 C ATOM 913 O THR A 65 70.261 10.157 -2.895 1.00 0.00 O ATOM 914 CB THR A 65 67.989 10.339 -0.642 1.00 0.00 C ATOM 915 OG1 THR A 65 68.964 11.366 -0.548 1.00 0.00 O ATOM 916 CG2 THR A 65 67.716 9.768 0.757 1.00 0.00 C ATOM 0 H THR A 65 70.488 9.026 -0.820 1.00 0.00 H new ATOM 0 HA THR A 65 67.678 8.564 -1.804 1.00 0.00 H new ATOM 0 HB THR A 65 67.063 10.743 -1.050 1.00 0.00 H new ATOM 0 HG1 THR A 65 69.789 11.000 -0.168 1.00 0.00 H new ATOM 0 HG21 THR A 65 67.349 10.561 1.408 1.00 0.00 H new ATOM 0 HG22 THR A 65 66.967 8.979 0.688 1.00 0.00 H new ATOM 0 HG23 THR A 65 68.638 9.358 1.169 1.00 0.00 H new ATOM 924 N PRO A 66 68.307 10.013 -3.887 1.00 0.00 N ATOM 925 CA PRO A 66 68.821 10.593 -5.161 1.00 0.00 C ATOM 926 C PRO A 66 69.547 11.924 -4.915 1.00 0.00 C ATOM 927 O PRO A 66 70.175 12.473 -5.800 1.00 0.00 O ATOM 928 CB PRO A 66 67.554 10.786 -6.031 1.00 0.00 C ATOM 929 CG PRO A 66 66.394 10.624 -5.093 1.00 0.00 C ATOM 930 CD PRO A 66 66.876 9.696 -3.982 1.00 0.00 C ATOM 0 HA PRO A 66 69.557 9.951 -5.644 1.00 0.00 H new ATOM 0 HB2 PRO A 66 67.546 11.770 -6.499 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.514 10.051 -6.835 1.00 0.00 H new ATOM 0 HG2 PRO A 66 66.082 11.587 -4.689 1.00 0.00 H new ATOM 0 HG3 PRO A 66 65.532 10.200 -5.608 1.00 0.00 H new ATOM 0 HD2 PRO A 66 66.357 9.887 -3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 66 66.710 8.648 -4.231 1.00 0.00 H new ATOM 938 N SER A 67 69.456 12.444 -3.716 1.00 0.00 N ATOM 939 CA SER A 67 70.126 13.742 -3.392 1.00 0.00 C ATOM 940 C SER A 67 71.384 13.496 -2.547 1.00 0.00 C ATOM 941 O SER A 67 72.292 14.301 -2.542 1.00 0.00 O ATOM 942 CB SER A 67 69.145 14.613 -2.601 1.00 0.00 C ATOM 943 OG SER A 67 68.170 15.145 -3.489 1.00 0.00 O ATOM 0 H SER A 67 68.943 12.022 -2.942 1.00 0.00 H new ATOM 0 HA SER A 67 70.418 14.241 -4.316 1.00 0.00 H new ATOM 0 HB2 SER A 67 68.662 14.022 -1.823 1.00 0.00 H new ATOM 0 HB3 SER A 67 69.679 15.421 -2.102 1.00 0.00 H new ATOM 0 HG SER A 67 67.539 15.702 -2.987 1.00 0.00 H new ATOM 949 N THR A 68 71.445 12.398 -1.825 1.00 0.00 N ATOM 950 CA THR A 68 72.655 12.118 -0.973 1.00 0.00 C ATOM 951 C THR A 68 73.094 10.645 -1.118 1.00 0.00 C ATOM 952 O THR A 68 72.452 9.762 -0.586 1.00 0.00 O ATOM 953 CB THR A 68 72.298 12.374 0.493 1.00 0.00 C ATOM 954 OG1 THR A 68 71.679 13.647 0.615 1.00 0.00 O ATOM 955 CG2 THR A 68 73.572 12.342 1.339 1.00 0.00 C ATOM 0 H THR A 68 70.715 11.686 -1.787 1.00 0.00 H new ATOM 0 HA THR A 68 73.469 12.768 -1.296 1.00 0.00 H new ATOM 0 HB THR A 68 71.611 11.603 0.841 1.00 0.00 H new ATOM 0 HG1 THR A 68 71.449 13.810 1.554 1.00 0.00 H new ATOM 0 HG21 THR A 68 73.320 12.524 2.384 1.00 0.00 H new ATOM 0 HG22 THR A 68 74.047 11.365 1.245 1.00 0.00 H new ATOM 0 HG23 THR A 68 74.259 13.114 0.992 1.00 0.00 H new ATOM 963 N PRO A 69 74.189 10.366 -1.796 1.00 0.00 N ATOM 964 CA PRO A 69 74.693 8.973 -1.949 1.00 0.00 C ATOM 965 C PRO A 69 75.603 8.566 -0.778 1.00 0.00 C ATOM 966 O PRO A 69 76.067 9.403 -0.030 1.00 0.00 O ATOM 967 CB PRO A 69 75.482 9.037 -3.257 1.00 0.00 C ATOM 968 CG PRO A 69 76.033 10.433 -3.302 1.00 0.00 C ATOM 969 CD PRO A 69 75.065 11.324 -2.499 1.00 0.00 C ATOM 0 HA PRO A 69 73.893 8.232 -1.958 1.00 0.00 H new ATOM 0 HB2 PRO A 69 76.281 8.295 -3.274 1.00 0.00 H new ATOM 0 HB3 PRO A 69 74.842 8.836 -4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 69 77.034 10.467 -2.873 1.00 0.00 H new ATOM 0 HG3 PRO A 69 76.115 10.782 -4.331 1.00 0.00 H new ATOM 0 HD2 PRO A 69 75.601 11.963 -1.797 1.00 0.00 H new ATOM 0 HD3 PRO A 69 74.492 11.981 -3.154 1.00 0.00 H new ATOM 977 N VAL A 70 75.855 7.287 -0.614 1.00 0.00 N ATOM 978 CA VAL A 70 76.728 6.813 0.511 1.00 0.00 C ATOM 979 C VAL A 70 77.959 6.104 -0.072 1.00 0.00 C ATOM 980 O VAL A 70 77.845 5.245 -0.922 1.00 0.00 O ATOM 981 CB VAL A 70 75.924 5.836 1.373 1.00 0.00 C ATOM 982 CG1 VAL A 70 76.787 5.335 2.530 1.00 0.00 C ATOM 983 CG2 VAL A 70 74.690 6.553 1.931 1.00 0.00 C ATOM 0 H VAL A 70 75.491 6.547 -1.214 1.00 0.00 H new ATOM 0 HA VAL A 70 77.056 7.656 1.120 1.00 0.00 H new ATOM 0 HB VAL A 70 75.613 4.987 0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 70 76.210 4.640 3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 70 77.666 4.827 2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 70 77.101 6.180 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 70 74.114 5.861 2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 70 75.006 7.401 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 70 74.071 6.907 1.107 1.00 0.00 H new ATOM 993 N ASN A 71 79.141 6.473 0.367 1.00 0.00 N ATOM 994 CA ASN A 71 80.392 5.844 -0.174 1.00 0.00 C ATOM 995 C ASN A 71 80.962 4.828 0.823 1.00 0.00 C ATOM 996 O ASN A 71 81.043 5.091 2.007 1.00 0.00 O ATOM 997 CB ASN A 71 81.434 6.943 -0.403 1.00 0.00 C ATOM 998 CG ASN A 71 80.828 8.056 -1.261 1.00 0.00 C ATOM 999 OD1 ASN A 71 79.949 8.767 -0.818 1.00 0.00 O ATOM 1000 ND2 ASN A 71 81.270 8.245 -2.475 1.00 0.00 N ATOM 0 H ASN A 71 79.294 7.186 1.080 1.00 0.00 H new ATOM 0 HA ASN A 71 80.155 5.331 -1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 71 81.766 7.347 0.553 1.00 0.00 H new ATOM 0 HB3 ASN A 71 82.313 6.528 -0.896 1.00 0.00 H new ATOM 0 HD21 ASN A 71 80.877 8.990 -3.051 1.00 0.00 H new ATOM 0 HD22 ASN A 71 82.008 7.648 -2.848 1.00 0.00 H new ATOM 1007 N THR A 72 81.388 3.680 0.352 1.00 0.00 N ATOM 1008 CA THR A 72 81.990 2.658 1.266 1.00 0.00 C ATOM 1009 C THR A 72 83.505 2.870 1.269 1.00 0.00 C ATOM 1010 O THR A 72 84.242 2.176 1.942 1.00 0.00 O ATOM 1011 CB THR A 72 81.682 1.241 0.736 1.00 0.00 C ATOM 1012 OG1 THR A 72 82.786 0.764 -0.024 1.00 0.00 O ATOM 1013 CG2 THR A 72 80.442 1.271 -0.161 1.00 0.00 C ATOM 0 H THR A 72 81.344 3.406 -0.630 1.00 0.00 H new ATOM 0 HA THR A 72 81.580 2.760 2.271 1.00 0.00 H new ATOM 0 HB THR A 72 81.501 0.583 1.586 1.00 0.00 H new ATOM 0 HG1 THR A 72 82.589 -0.136 -0.358 1.00 0.00 H new ATOM 0 HG21 THR A 72 80.235 0.266 -0.529 1.00 0.00 H new ATOM 0 HG22 THR A 72 79.587 1.631 0.412 1.00 0.00 H new ATOM 0 HG23 THR A 72 80.620 1.937 -1.005 1.00 0.00 H new ATOM 1021 N ASN A 73 83.974 3.823 0.507 1.00 0.00 N ATOM 1022 CA ASN A 73 85.436 4.083 0.449 1.00 0.00 C ATOM 1023 C ASN A 73 85.895 4.689 1.771 1.00 0.00 C ATOM 1024 O ASN A 73 86.550 5.712 1.803 1.00 0.00 O ATOM 1025 CB ASN A 73 85.739 5.062 -0.689 1.00 0.00 C ATOM 1026 CG ASN A 73 85.551 4.361 -2.036 1.00 0.00 C ATOM 1027 OD1 ASN A 73 86.040 3.268 -2.238 1.00 0.00 O ATOM 1028 ND2 ASN A 73 84.861 4.949 -2.976 1.00 0.00 N ATOM 0 H ASN A 73 83.403 4.432 -0.078 1.00 0.00 H new ATOM 0 HA ASN A 73 85.964 3.146 0.272 1.00 0.00 H new ATOM 0 HB2 ASN A 73 85.079 5.927 -0.623 1.00 0.00 H new ATOM 0 HB3 ASN A 73 86.760 5.433 -0.600 1.00 0.00 H new ATOM 0 HD21 ASN A 73 84.734 4.490 -3.878 1.00 0.00 H new ATOM 0 HD22 ASN A 73 84.449 5.867 -2.808 1.00 0.00 H new ATOM 1035 N GLN A 74 85.565 4.062 2.864 1.00 0.00 N ATOM 1036 CA GLN A 74 85.994 4.600 4.180 1.00 0.00 C ATOM 1037 C GLN A 74 87.527 4.589 4.213 1.00 0.00 C ATOM 1038 O GLN A 74 88.166 5.354 3.517 1.00 0.00 O ATOM 1039 CB GLN A 74 85.416 3.720 5.298 1.00 0.00 C ATOM 1040 CG GLN A 74 85.677 4.372 6.655 1.00 0.00 C ATOM 1041 CD GLN A 74 85.053 3.515 7.759 1.00 0.00 C ATOM 1042 OE1 GLN A 74 85.094 2.301 7.698 1.00 0.00 O ATOM 1043 NE2 GLN A 74 84.473 4.096 8.774 1.00 0.00 N ATOM 0 H GLN A 74 85.018 3.202 2.902 1.00 0.00 H new ATOM 0 HA GLN A 74 85.633 5.618 4.328 1.00 0.00 H new ATOM 0 HB2 GLN A 74 84.345 3.584 5.149 1.00 0.00 H new ATOM 0 HB3 GLN A 74 85.871 2.730 5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 74 86.749 4.475 6.821 1.00 0.00 H new ATOM 0 HG3 GLN A 74 85.254 5.376 6.676 1.00 0.00 H new ATOM 0 HE21 GLN A 74 84.438 5.114 8.827 1.00 0.00 H new ATOM 0 HE22 GLN A 74 84.055 3.532 9.514 1.00 0.00 H new ATOM 1052 N ASP A 75 88.125 3.713 4.983 1.00 0.00 N ATOM 1053 CA ASP A 75 89.618 3.633 5.024 1.00 0.00 C ATOM 1054 C ASP A 75 90.055 2.375 4.269 1.00 0.00 C ATOM 1055 O ASP A 75 90.065 1.289 4.813 1.00 0.00 O ATOM 1056 CB ASP A 75 90.085 3.549 6.480 1.00 0.00 C ATOM 1057 CG ASP A 75 91.614 3.472 6.529 1.00 0.00 C ATOM 1058 OD1 ASP A 75 92.185 2.802 5.685 1.00 0.00 O ATOM 1059 OD2 ASP A 75 92.187 4.082 7.415 1.00 0.00 O ATOM 0 H ASP A 75 87.641 3.048 5.587 1.00 0.00 H new ATOM 0 HA ASP A 75 90.056 4.518 4.562 1.00 0.00 H new ATOM 0 HB2 ASP A 75 89.737 4.421 7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 75 89.652 2.672 6.961 1.00 0.00 H new ATOM 1064 N ILE A 76 90.407 2.504 3.016 1.00 0.00 N ATOM 1065 CA ILE A 76 90.831 1.304 2.238 1.00 0.00 C ATOM 1066 C ILE A 76 92.319 1.022 2.465 1.00 0.00 C ATOM 1067 O ILE A 76 92.812 -0.039 2.139 1.00 0.00 O ATOM 1068 CB ILE A 76 90.569 1.525 0.748 1.00 0.00 C ATOM 1069 CG1 ILE A 76 89.058 1.643 0.523 1.00 0.00 C ATOM 1070 CG2 ILE A 76 91.121 0.333 -0.047 1.00 0.00 C ATOM 1071 CD1 ILE A 76 88.781 2.011 -0.933 1.00 0.00 C ATOM 0 H ILE A 76 90.419 3.384 2.501 1.00 0.00 H new ATOM 0 HA ILE A 76 90.252 0.446 2.580 1.00 0.00 H new ATOM 0 HB ILE A 76 91.061 2.438 0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 76 88.569 0.700 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 76 88.640 2.401 1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 76 90.936 0.487 -1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 76 92.194 0.246 0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 76 90.626 -0.582 0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 76 87.705 2.094 -1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 76 89.256 2.965 -1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 76 89.184 1.237 -1.587 1.00 0.00 H new ATOM 1083 N ASN A 77 93.046 1.962 2.999 1.00 0.00 N ATOM 1084 CA ASN A 77 94.500 1.729 3.221 1.00 0.00 C ATOM 1085 C ASN A 77 94.698 0.529 4.154 1.00 0.00 C ATOM 1086 O ASN A 77 95.532 -0.321 3.915 1.00 0.00 O ATOM 1087 CB ASN A 77 95.130 2.971 3.846 1.00 0.00 C ATOM 1088 CG ASN A 77 96.647 2.788 3.925 1.00 0.00 C ATOM 1089 OD1 ASN A 77 97.159 1.721 3.650 1.00 0.00 O ATOM 1090 ND2 ASN A 77 97.394 3.793 4.289 1.00 0.00 N ATOM 0 H ASN A 77 92.700 2.876 3.290 1.00 0.00 H new ATOM 0 HA ASN A 77 94.979 1.523 2.264 1.00 0.00 H new ATOM 0 HB2 ASN A 77 94.890 3.852 3.251 1.00 0.00 H new ATOM 0 HB3 ASN A 77 94.721 3.137 4.842 1.00 0.00 H new ATOM 0 HD21 ASN A 77 98.407 3.683 4.343 1.00 0.00 H new ATOM 0 HD22 ASN A 77 96.966 4.689 4.520 1.00 0.00 H new ATOM 1097 N LYS A 78 93.942 0.453 5.217 1.00 0.00 N ATOM 1098 CA LYS A 78 94.097 -0.696 6.157 1.00 0.00 C ATOM 1099 C LYS A 78 93.614 -1.975 5.471 1.00 0.00 C ATOM 1100 O LYS A 78 94.152 -3.042 5.683 1.00 0.00 O ATOM 1101 CB LYS A 78 93.287 -0.435 7.434 1.00 0.00 C ATOM 1102 CG LYS A 78 91.787 -0.523 7.138 1.00 0.00 C ATOM 1103 CD LYS A 78 91.001 0.093 8.300 1.00 0.00 C ATOM 1104 CE LYS A 78 91.400 -0.580 9.615 1.00 0.00 C ATOM 1105 NZ LYS A 78 91.510 -2.054 9.415 1.00 0.00 N ATOM 0 H LYS A 78 93.227 1.133 5.475 1.00 0.00 H new ATOM 0 HA LYS A 78 95.146 -0.811 6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 78 93.557 -1.163 8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 78 93.529 0.551 7.832 1.00 0.00 H new ATOM 0 HG2 LYS A 78 91.557 0.001 6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 78 91.493 -1.563 6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 78 91.197 1.164 8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 78 89.931 -0.027 8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 78 92.351 -0.179 9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 78 90.660 -0.362 10.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 91.545 -2.528 10.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 90.684 -2.395 8.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 92.378 -2.268 8.883 1.00 0.00 H new ATOM 1119 N THR A 79 92.615 -1.881 4.634 1.00 0.00 N ATOM 1120 CA THR A 79 92.131 -3.098 3.927 1.00 0.00 C ATOM 1121 C THR A 79 93.272 -3.620 3.042 1.00 0.00 C ATOM 1122 O THR A 79 93.567 -4.788 3.018 1.00 0.00 O ATOM 1123 CB THR A 79 90.874 -2.731 3.109 1.00 0.00 C ATOM 1124 OG1 THR A 79 89.728 -3.264 3.756 1.00 0.00 O ATOM 1125 CG2 THR A 79 90.928 -3.265 1.670 1.00 0.00 C ATOM 0 H THR A 79 92.117 -1.019 4.412 1.00 0.00 H new ATOM 0 HA THR A 79 91.850 -3.888 4.624 1.00 0.00 H new ATOM 0 HB THR A 79 90.826 -1.643 3.054 1.00 0.00 H new ATOM 0 HG1 THR A 79 88.919 -2.954 3.297 1.00 0.00 H new ATOM 0 HG21 THR A 79 90.019 -2.978 1.141 1.00 0.00 H new ATOM 0 HG22 THR A 79 91.794 -2.845 1.158 1.00 0.00 H new ATOM 0 HG23 THR A 79 91.009 -4.352 1.688 1.00 0.00 H new ATOM 1133 N ASN A 80 93.928 -2.755 2.332 1.00 0.00 N ATOM 1134 CA ASN A 80 95.058 -3.211 1.478 1.00 0.00 C ATOM 1135 C ASN A 80 96.118 -3.864 2.368 1.00 0.00 C ATOM 1136 O ASN A 80 96.786 -4.799 1.974 1.00 0.00 O ATOM 1137 CB ASN A 80 95.666 -2.014 0.742 1.00 0.00 C ATOM 1138 CG ASN A 80 94.631 -1.427 -0.218 1.00 0.00 C ATOM 1139 OD1 ASN A 80 93.893 -2.153 -0.853 1.00 0.00 O ATOM 1140 ND2 ASN A 80 94.541 -0.130 -0.345 1.00 0.00 N ATOM 0 H ASN A 80 93.734 -1.754 2.303 1.00 0.00 H new ATOM 0 HA ASN A 80 94.698 -3.931 0.743 1.00 0.00 H new ATOM 0 HB2 ASN A 80 95.984 -1.256 1.458 1.00 0.00 H new ATOM 0 HB3 ASN A 80 96.554 -2.325 0.191 1.00 0.00 H new ATOM 0 HD21 ASN A 80 93.850 0.274 -0.978 1.00 0.00 H new ATOM 0 HD22 ASN A 80 95.161 0.479 0.189 1.00 0.00 H new ATOM 1147 N LYS A 81 96.293 -3.357 3.557 1.00 0.00 N ATOM 1148 CA LYS A 81 97.328 -3.924 4.468 1.00 0.00 C ATOM 1149 C LYS A 81 96.997 -5.376 4.844 1.00 0.00 C ATOM 1150 O LYS A 81 97.842 -6.243 4.757 1.00 0.00 O ATOM 1151 CB LYS A 81 97.372 -3.077 5.746 1.00 0.00 C ATOM 1152 CG LYS A 81 98.487 -3.565 6.679 1.00 0.00 C ATOM 1153 CD LYS A 81 98.389 -2.817 8.011 1.00 0.00 C ATOM 1154 CE LYS A 81 99.563 -3.205 8.910 1.00 0.00 C ATOM 1155 NZ LYS A 81 100.793 -2.502 8.447 1.00 0.00 N ATOM 0 H LYS A 81 95.763 -2.573 3.938 1.00 0.00 H new ATOM 0 HA LYS A 81 98.291 -3.910 3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 81 97.537 -2.031 5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 81 96.412 -3.132 6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 81 98.397 -4.639 6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 81 99.462 -3.393 6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 81 98.393 -1.741 7.836 1.00 0.00 H new ATOM 0 HD3 LYS A 81 97.447 -3.056 8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 81 99.347 -2.939 9.945 1.00 0.00 H new ATOM 0 HE3 LYS A 81 99.715 -4.284 8.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 101.550 -2.627 9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 101.098 -2.899 7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 100.591 -1.488 8.333 1.00 0.00 H new ATOM 1169 N VAL A 82 95.791 -5.638 5.303 1.00 0.00 N ATOM 1170 CA VAL A 82 95.428 -7.031 5.737 1.00 0.00 C ATOM 1171 C VAL A 82 94.302 -7.617 4.870 1.00 0.00 C ATOM 1172 O VAL A 82 94.136 -8.820 4.799 1.00 0.00 O ATOM 1173 CB VAL A 82 94.999 -6.979 7.209 1.00 0.00 C ATOM 1174 CG1 VAL A 82 95.974 -6.093 7.984 1.00 0.00 C ATOM 1175 CG2 VAL A 82 93.591 -6.390 7.340 1.00 0.00 C ATOM 0 H VAL A 82 95.044 -4.949 5.396 1.00 0.00 H new ATOM 0 HA VAL A 82 96.294 -7.682 5.617 1.00 0.00 H new ATOM 0 HB VAL A 82 95.001 -7.993 7.609 1.00 0.00 H new ATOM 0 HG11 VAL A 82 95.675 -6.052 9.031 1.00 0.00 H new ATOM 0 HG12 VAL A 82 96.980 -6.507 7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 82 95.964 -5.087 7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 82 93.305 -6.362 8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 82 93.580 -5.379 6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 82 92.884 -7.010 6.788 1.00 0.00 H new ATOM 1185 N GLY A 83 93.537 -6.796 4.204 1.00 0.00 N ATOM 1186 CA GLY A 83 92.442 -7.319 3.341 1.00 0.00 C ATOM 1187 C GLY A 83 91.162 -7.460 4.151 1.00 0.00 C ATOM 1188 O GLY A 83 91.162 -7.400 5.365 1.00 0.00 O ATOM 0 H GLY A 83 93.625 -5.780 4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 83 92.277 -6.645 2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 83 92.726 -8.285 2.924 1.00 0.00 H new ATOM 1192 N VAL A 84 90.071 -7.664 3.472 1.00 0.00 N ATOM 1193 CA VAL A 84 88.752 -7.834 4.157 1.00 0.00 C ATOM 1194 C VAL A 84 88.333 -9.297 4.035 1.00 0.00 C ATOM 1195 O VAL A 84 88.295 -9.848 2.954 1.00 0.00 O ATOM 1196 CB VAL A 84 87.699 -6.961 3.471 1.00 0.00 C ATOM 1197 CG1 VAL A 84 86.361 -7.092 4.203 1.00 0.00 C ATOM 1198 CG2 VAL A 84 88.151 -5.502 3.496 1.00 0.00 C ATOM 0 H VAL A 84 90.032 -7.722 2.454 1.00 0.00 H new ATOM 0 HA VAL A 84 88.838 -7.543 5.204 1.00 0.00 H new ATOM 0 HB VAL A 84 87.579 -7.288 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 84 85.614 -6.469 3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 84 86.036 -8.132 4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 84 86.479 -6.769 5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 84 87.401 -4.880 3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 84 88.275 -5.177 4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 84 89.101 -5.406 2.969 1.00 0.00 H new ATOM 1208 N GLN A 85 88.027 -9.943 5.128 1.00 0.00 N ATOM 1209 CA GLN A 85 87.624 -11.374 5.042 1.00 0.00 C ATOM 1210 C GLN A 85 86.160 -11.479 4.615 1.00 0.00 C ATOM 1211 O GLN A 85 85.855 -11.994 3.558 1.00 0.00 O ATOM 1212 CB GLN A 85 87.802 -12.057 6.399 1.00 0.00 C ATOM 1213 CG GLN A 85 87.588 -13.561 6.222 1.00 0.00 C ATOM 1214 CD GLN A 85 87.791 -14.272 7.559 1.00 0.00 C ATOM 1215 OE1 GLN A 85 88.412 -13.738 8.456 1.00 0.00 O ATOM 1216 NE2 GLN A 85 87.290 -15.464 7.734 1.00 0.00 N ATOM 0 H GLN A 85 88.039 -9.546 6.067 1.00 0.00 H new ATOM 0 HA GLN A 85 88.256 -11.868 4.304 1.00 0.00 H new ATOM 0 HB2 GLN A 85 88.799 -11.861 6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 85 87.090 -11.656 7.120 1.00 0.00 H new ATOM 0 HG2 GLN A 85 86.583 -13.753 5.846 1.00 0.00 H new ATOM 0 HG3 GLN A 85 88.286 -13.952 5.482 1.00 0.00 H new ATOM 0 HE21 GLN A 85 86.768 -15.913 6.982 1.00 0.00 H new ATOM 0 HE22 GLN A 85 87.420 -15.946 8.623 1.00 0.00 H new ATOM 1225 N LYS A 86 85.251 -11.014 5.439 1.00 0.00 N ATOM 1226 CA LYS A 86 83.791 -11.103 5.105 1.00 0.00 C ATOM 1227 C LYS A 86 83.198 -9.705 4.910 1.00 0.00 C ATOM 1228 O LYS A 86 83.502 -8.778 5.633 1.00 0.00 O ATOM 1229 CB LYS A 86 83.063 -11.800 6.256 1.00 0.00 C ATOM 1230 CG LYS A 86 81.600 -12.093 5.883 1.00 0.00 C ATOM 1231 CD LYS A 86 81.521 -13.225 4.844 1.00 0.00 C ATOM 1232 CE LYS A 86 80.112 -13.822 4.845 1.00 0.00 C ATOM 1233 NZ LYS A 86 79.823 -14.406 6.186 1.00 0.00 N ATOM 0 H LYS A 86 85.458 -10.573 6.335 1.00 0.00 H new ATOM 0 HA LYS A 86 83.671 -11.667 4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 86 83.573 -12.731 6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 86 83.097 -11.172 7.146 1.00 0.00 H new ATOM 0 HG2 LYS A 86 81.041 -12.372 6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 86 81.134 -11.192 5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 86 81.764 -12.841 3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 86 82.255 -13.997 5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 86 79.379 -13.052 4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 86 80.030 -14.590 4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 79.431 -15.362 6.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 80.702 -14.456 6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 79.134 -13.807 6.684 1.00 0.00 H new ATOM 1247 N TYR A 87 82.338 -9.568 3.936 1.00 0.00 N ATOM 1248 CA TYR A 87 81.672 -8.254 3.654 1.00 0.00 C ATOM 1249 C TYR A 87 80.156 -8.434 3.800 1.00 0.00 C ATOM 1250 O TYR A 87 79.604 -9.429 3.370 1.00 0.00 O ATOM 1251 CB TYR A 87 82.015 -7.824 2.227 1.00 0.00 C ATOM 1252 CG TYR A 87 81.317 -6.529 1.899 1.00 0.00 C ATOM 1253 CD1 TYR A 87 81.936 -5.305 2.184 1.00 0.00 C ATOM 1254 CD2 TYR A 87 80.056 -6.552 1.296 1.00 0.00 C ATOM 1255 CE1 TYR A 87 81.290 -4.105 1.866 1.00 0.00 C ATOM 1256 CE2 TYR A 87 79.409 -5.352 0.979 1.00 0.00 C ATOM 1257 CZ TYR A 87 80.025 -4.128 1.263 1.00 0.00 C ATOM 1258 OH TYR A 87 79.388 -2.947 0.946 1.00 0.00 O ATOM 0 H TYR A 87 82.061 -10.324 3.310 1.00 0.00 H new ATOM 0 HA TYR A 87 82.016 -7.490 4.351 1.00 0.00 H new ATOM 0 HB2 TYR A 87 83.093 -7.702 2.124 1.00 0.00 H new ATOM 0 HB3 TYR A 87 81.713 -8.599 1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 87 82.911 -5.287 2.649 1.00 0.00 H new ATOM 0 HD2 TYR A 87 79.581 -7.496 1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 87 81.766 -3.161 2.085 1.00 0.00 H new ATOM 0 HE2 TYR A 87 78.434 -5.371 0.515 1.00 0.00 H new ATOM 0 HH TYR A 87 80.056 -2.258 0.746 1.00 0.00 H new ATOM 1268 N ARG A 88 79.476 -7.497 4.426 1.00 0.00 N ATOM 1269 CA ARG A 88 77.991 -7.641 4.618 1.00 0.00 C ATOM 1270 C ARG A 88 77.269 -6.308 4.363 1.00 0.00 C ATOM 1271 O ARG A 88 77.602 -5.288 4.933 1.00 0.00 O ATOM 1272 CB ARG A 88 77.726 -8.082 6.062 1.00 0.00 C ATOM 1273 CG ARG A 88 78.359 -9.453 6.300 1.00 0.00 C ATOM 1274 CD ARG A 88 78.099 -9.902 7.740 1.00 0.00 C ATOM 1275 NE ARG A 88 78.731 -11.236 7.962 1.00 0.00 N ATOM 1276 CZ ARG A 88 78.736 -11.768 9.153 1.00 0.00 C ATOM 1277 NH1 ARG A 88 78.175 -11.144 10.153 1.00 0.00 N ATOM 1278 NH2 ARG A 88 79.306 -12.926 9.344 1.00 0.00 N ATOM 0 H ARG A 88 79.881 -6.644 4.810 1.00 0.00 H new ATOM 0 HA ARG A 88 77.614 -8.379 3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 88 78.140 -7.353 6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 88 76.653 -8.128 6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 88 77.945 -10.181 5.602 1.00 0.00 H new ATOM 0 HG3 ARG A 88 79.432 -9.406 6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 88 78.507 -9.173 8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 88 77.027 -9.959 7.927 1.00 0.00 H new ATOM 0 HE ARG A 88 79.160 -11.732 7.181 1.00 0.00 H new ATOM 0 HH11 ARG A 88 77.731 -10.238 10.004 1.00 0.00 H new ATOM 0 HH12 ARG A 88 78.181 -11.563 11.083 1.00 0.00 H new ATOM 0 HH21 ARG A 88 79.746 -13.413 8.563 1.00 0.00 H new ATOM 0 HH22 ARG A 88 79.312 -13.344 10.274 1.00 0.00 H new ATOM 1292 N ALA A 89 76.261 -6.328 3.518 1.00 0.00 N ATOM 1293 CA ALA A 89 75.470 -5.086 3.219 1.00 0.00 C ATOM 1294 C ALA A 89 73.986 -5.361 3.497 1.00 0.00 C ATOM 1295 O ALA A 89 73.456 -6.380 3.096 1.00 0.00 O ATOM 1296 CB ALA A 89 75.658 -4.702 1.750 1.00 0.00 C ATOM 0 H ALA A 89 75.950 -7.161 3.018 1.00 0.00 H new ATOM 0 HA ALA A 89 75.815 -4.266 3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 89 75.084 -3.801 1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 89 76.714 -4.515 1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 89 75.310 -5.516 1.114 1.00 0.00 H new ATOM 1302 N LEU A 90 73.312 -4.466 4.189 1.00 0.00 N ATOM 1303 CA LEU A 90 71.853 -4.671 4.509 1.00 0.00 C ATOM 1304 C LEU A 90 71.018 -3.535 3.915 1.00 0.00 C ATOM 1305 O LEU A 90 71.372 -2.379 4.006 1.00 0.00 O ATOM 1306 CB LEU A 90 71.674 -4.691 6.028 1.00 0.00 C ATOM 1307 CG LEU A 90 70.198 -4.887 6.405 1.00 0.00 C ATOM 1308 CD1 LEU A 90 69.671 -6.215 5.841 1.00 0.00 C ATOM 1309 CD2 LEU A 90 70.087 -4.906 7.932 1.00 0.00 C ATOM 0 H LEU A 90 73.710 -3.598 4.548 1.00 0.00 H new ATOM 0 HA LEU A 90 71.520 -5.616 4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.273 -5.494 6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 90 72.041 -3.757 6.453 1.00 0.00 H new ATOM 0 HG LEU A 90 69.606 -4.073 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 90 68.624 -6.338 6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 90 69.761 -6.210 4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 90 70.253 -7.041 6.250 1.00 0.00 H new ATOM 0 HD21 LEU A 90 69.045 -5.044 8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 90 70.685 -5.726 8.330 1.00 0.00 H new ATOM 0 HD23 LEU A 90 70.452 -3.961 8.335 1.00 0.00 H new ATOM 1321 N THR A 91 69.910 -3.869 3.296 1.00 0.00 N ATOM 1322 CA THR A 91 69.028 -2.823 2.670 1.00 0.00 C ATOM 1323 C THR A 91 67.565 -2.992 3.124 1.00 0.00 C ATOM 1324 O THR A 91 66.984 -4.053 3.021 1.00 0.00 O ATOM 1325 CB THR A 91 69.107 -2.964 1.146 1.00 0.00 C ATOM 1326 OG1 THR A 91 68.859 -4.314 0.783 1.00 0.00 O ATOM 1327 CG2 THR A 91 70.500 -2.552 0.663 1.00 0.00 C ATOM 0 H THR A 91 69.574 -4.827 3.195 1.00 0.00 H new ATOM 0 HA THR A 91 69.371 -1.836 2.982 1.00 0.00 H new ATOM 0 HB THR A 91 68.360 -2.319 0.683 1.00 0.00 H new ATOM 0 HG1 THR A 91 68.592 -4.356 -0.159 1.00 0.00 H new ATOM 0 HG21 THR A 91 70.554 -2.653 -0.421 1.00 0.00 H new ATOM 0 HG22 THR A 91 70.689 -1.515 0.941 1.00 0.00 H new ATOM 0 HG23 THR A 91 71.250 -3.194 1.125 1.00 0.00 H new ATOM 1335 N GLU A 92 66.977 -1.929 3.623 1.00 0.00 N ATOM 1336 CA GLU A 92 65.547 -1.977 4.094 1.00 0.00 C ATOM 1337 C GLU A 92 64.764 -0.777 3.538 1.00 0.00 C ATOM 1338 O GLU A 92 65.293 0.303 3.398 1.00 0.00 O ATOM 1339 CB GLU A 92 65.521 -1.947 5.625 1.00 0.00 C ATOM 1340 CG GLU A 92 64.075 -2.023 6.115 1.00 0.00 C ATOM 1341 CD GLU A 92 64.061 -2.243 7.629 1.00 0.00 C ATOM 1342 OE1 GLU A 92 65.132 -2.344 8.203 1.00 0.00 O ATOM 1343 OE2 GLU A 92 62.978 -2.314 8.188 1.00 0.00 O ATOM 0 H GLU A 92 67.428 -1.020 3.726 1.00 0.00 H new ATOM 0 HA GLU A 92 65.081 -2.895 3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 92 66.095 -2.783 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 92 65.991 -1.034 5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 92 63.546 -1.103 5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 92 63.552 -2.837 5.613 1.00 0.00 H new ATOM 1350 N TRP A 93 63.496 -0.953 3.237 1.00 0.00 N ATOM 1351 CA TRP A 93 62.686 0.196 2.713 1.00 0.00 C ATOM 1352 C TRP A 93 62.471 1.206 3.847 1.00 0.00 C ATOM 1353 O TRP A 93 62.235 0.834 4.980 1.00 0.00 O ATOM 1354 CB TRP A 93 61.317 -0.299 2.221 1.00 0.00 C ATOM 1355 CG TRP A 93 61.461 -1.024 0.916 1.00 0.00 C ATOM 1356 CD1 TRP A 93 61.767 -2.337 0.777 1.00 0.00 C ATOM 1357 CD2 TRP A 93 61.295 -0.501 -0.436 1.00 0.00 C ATOM 1358 NE1 TRP A 93 61.800 -2.649 -0.574 1.00 0.00 N ATOM 1359 CE2 TRP A 93 61.519 -1.551 -1.359 1.00 0.00 C ATOM 1360 CE3 TRP A 93 60.978 0.770 -0.945 1.00 0.00 C ATOM 1361 CZ2 TRP A 93 61.430 -1.347 -2.737 1.00 0.00 C ATOM 1362 CZ3 TRP A 93 60.888 0.980 -2.331 1.00 0.00 C ATOM 1363 CH2 TRP A 93 61.114 -0.077 -3.226 1.00 0.00 C ATOM 0 H TRP A 93 62.991 -1.834 3.331 1.00 0.00 H new ATOM 0 HA TRP A 93 63.217 0.660 1.882 1.00 0.00 H new ATOM 0 HB2 TRP A 93 60.874 -0.961 2.965 1.00 0.00 H new ATOM 0 HB3 TRP A 93 60.639 0.546 2.102 1.00 0.00 H new ATOM 0 HD1 TRP A 93 61.954 -3.027 1.586 1.00 0.00 H new ATOM 0 HE1 TRP A 93 62.007 -3.578 -0.942 1.00 0.00 H new ATOM 0 HE3 TRP A 93 60.802 1.591 -0.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 61.604 -2.165 -3.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 60.643 1.961 -2.710 1.00 0.00 H new ATOM 0 HH2 TRP A 93 61.044 0.091 -4.291 1.00 0.00 H new ATOM 1374 N VAL A 94 62.550 2.483 3.547 1.00 0.00 N ATOM 1375 CA VAL A 94 62.353 3.534 4.600 1.00 0.00 C ATOM 1376 C VAL A 94 61.061 4.303 4.320 1.00 0.00 C ATOM 1377 O VAL A 94 60.932 4.968 3.301 1.00 0.00 O ATOM 1378 CB VAL A 94 63.526 4.516 4.561 1.00 0.00 C ATOM 1379 CG1 VAL A 94 63.458 5.443 5.776 1.00 0.00 C ATOM 1380 CG2 VAL A 94 64.846 3.742 4.582 1.00 0.00 C ATOM 0 H VAL A 94 62.744 2.844 2.613 1.00 0.00 H new ATOM 0 HA VAL A 94 62.296 3.057 5.578 1.00 0.00 H new ATOM 0 HB VAL A 94 63.470 5.109 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 94 64.294 6.142 5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 94 62.520 5.998 5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 94 63.512 4.850 6.689 1.00 0.00 H new ATOM 0 HG21 VAL A 94 65.680 4.444 4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 94 64.904 3.146 5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 94 64.896 3.084 3.714 1.00 0.00 H new ATOM 1390 N GLY A 95 60.117 4.229 5.225 1.00 0.00 N ATOM 1391 CA GLY A 95 58.825 4.953 5.034 1.00 0.00 C ATOM 1392 C GLY A 95 57.763 4.385 5.982 1.00 0.00 C ATOM 1393 O GLY A 95 57.044 3.467 5.639 1.00 0.00 O ATOM 0 H GLY A 95 60.187 3.695 6.091 1.00 0.00 H new ATOM 0 HA2 GLY A 95 58.963 6.017 5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 95 58.492 4.855 4.001 1.00 0.00 H new