USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 803 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 41 TYR OH : rot 90:sc= 0.779 USER MOD Set 1.2: A 63 ASN : amide:sc= -3.95! C(o=-3.2!,f=-3.5!) USER MOD Set 2.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 25 THR OG1 : rot 78:sc= 0.3 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00981 USER MOD Single : A 10 THR OG1 : rot 132:sc= 0.723 USER MOD Single : A 14 MET CE :methyl -170:sc= -0.0125 (180deg=-0.133) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -5.23! C(o=-8.5!,f=-5.2!) USER MOD Single : A 20 THR OG1 : rot 152:sc= -3.21! USER MOD Single : A 21 MET CE :methyl 166:sc= -0.717 (180deg=-1.61!) USER MOD Single : A 23 SER OG : rot -35:sc= -2.11! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.054 K(o=-0.054,f=-1.6!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 35 ASN : amide:sc= 0.604 K(o=0.6,f=-0.019) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.024) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.773 F(o=-2.6,f=-0.77) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 55 SER OG : rot -96:sc= 0.451 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 148:sc= -0.202 (180deg=-0.933) USER MOD Single : A 60 SER OG : rot -112:sc= -0.12 USER MOD Single : A 61 GLN : amide:sc= -0.087 K(o=-0.087,f=-2!) USER MOD Single : A 62 THR OG1 : rot 150:sc= -2.13! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0.209 USER MOD Single : A 79 GLN :FLIP amide:sc= -1.85 F(o=-2.5,f=-1.9) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0148 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 150:sc= -0.638 USER MOD Single : A 94 LYS NZ :NH3+ -154:sc= -0.0929 (180deg=-0.492) USER MOD Single : A 95 MET CE :methyl -156:sc= -0.475 (180deg=-2.32!) USER MOD Single : A 96 CYS SG : rot 28:sc= 0.409 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot -151:sc= 0.272 USER MOD Single : A 101 THR OG1 : rot 28:sc= 1.04 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.983 -22.747 8.808 1.00 0.00 N ATOM 2 CA GLY A 1 -8.290 -23.354 8.635 1.00 0.00 C ATOM 3 C GLY A 1 -8.553 -23.765 7.200 1.00 0.00 C ATOM 4 O GLY A 1 -7.783 -24.525 6.613 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.852 -22.484 9.806 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.246 -23.425 8.529 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.914 -21.896 8.214 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.369 -24.229 9.281 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.059 -22.651 8.955 1.00 0.00 H new ATOM 8 N SER A 2 -9.647 -23.264 6.634 1.00 0.00 N ATOM 9 CA SER A 2 -10.013 -23.588 5.261 1.00 0.00 C ATOM 10 C SER A 2 -8.773 -23.704 4.380 1.00 0.00 C ATOM 11 O SER A 2 -8.155 -22.700 4.024 1.00 0.00 O ATOM 12 CB SER A 2 -10.956 -22.523 4.697 1.00 0.00 C ATOM 13 OG SER A 2 -11.644 -23.004 3.555 1.00 0.00 O ATOM 0 H SER A 2 -10.295 -22.632 7.105 1.00 0.00 H new ATOM 0 HA SER A 2 -10.525 -24.550 5.266 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.675 -22.228 5.461 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.387 -21.631 4.434 1.00 0.00 H new ATOM 0 HG SER A 2 -12.241 -22.306 3.215 1.00 0.00 H new ATOM 19 N SER A 3 -8.414 -24.935 4.032 1.00 0.00 N ATOM 20 CA SER A 3 -7.245 -25.184 3.196 1.00 0.00 C ATOM 21 C SER A 3 -7.530 -24.821 1.742 1.00 0.00 C ATOM 22 O SER A 3 -8.538 -25.238 1.172 1.00 0.00 O ATOM 23 CB SER A 3 -6.824 -26.651 3.294 1.00 0.00 C ATOM 24 OG SER A 3 -5.577 -26.868 2.657 1.00 0.00 O ATOM 0 H SER A 3 -8.916 -25.776 4.316 1.00 0.00 H new ATOM 0 HA SER A 3 -6.431 -24.555 3.557 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.756 -26.944 4.342 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.585 -27.282 2.835 1.00 0.00 H new ATOM 0 HG SER A 3 -5.330 -27.813 2.735 1.00 0.00 H new ATOM 30 N GLY A 4 -6.634 -24.040 1.146 1.00 0.00 N ATOM 31 CA GLY A 4 -6.806 -23.633 -0.236 1.00 0.00 C ATOM 32 C GLY A 4 -6.159 -22.294 -0.531 1.00 0.00 C ATOM 33 O GLY A 4 -6.849 -21.303 -0.768 1.00 0.00 O ATOM 0 H GLY A 4 -5.792 -23.682 1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.378 -24.392 -0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.870 -23.577 -0.465 1.00 0.00 H new ATOM 37 N SER A 5 -4.831 -22.265 -0.516 1.00 0.00 N ATOM 38 CA SER A 5 -4.090 -21.036 -0.779 1.00 0.00 C ATOM 39 C SER A 5 -3.464 -21.066 -2.169 1.00 0.00 C ATOM 40 O SER A 5 -2.991 -22.107 -2.627 1.00 0.00 O ATOM 41 CB SER A 5 -3.003 -20.835 0.279 1.00 0.00 C ATOM 42 OG SER A 5 -1.961 -21.782 0.125 1.00 0.00 O ATOM 0 H SER A 5 -4.245 -23.078 -0.325 1.00 0.00 H new ATOM 0 HA SER A 5 -4.790 -20.202 -0.733 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.597 -19.827 0.201 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.438 -20.927 1.274 1.00 0.00 H new ATOM 0 HG SER A 5 -1.278 -21.632 0.812 1.00 0.00 H new ATOM 48 N SER A 6 -3.464 -19.917 -2.837 1.00 0.00 N ATOM 49 CA SER A 6 -2.900 -19.811 -4.177 1.00 0.00 C ATOM 50 C SER A 6 -2.457 -18.381 -4.468 1.00 0.00 C ATOM 51 O SER A 6 -3.111 -17.421 -4.063 1.00 0.00 O ATOM 52 CB SER A 6 -3.923 -20.262 -5.221 1.00 0.00 C ATOM 53 OG SER A 6 -3.356 -20.274 -6.520 1.00 0.00 O ATOM 0 H SER A 6 -3.849 -19.046 -2.472 1.00 0.00 H new ATOM 0 HA SER A 6 -2.027 -20.461 -4.229 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.287 -21.258 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.784 -19.594 -5.203 1.00 0.00 H new ATOM 0 HG SER A 6 -4.030 -20.567 -7.168 1.00 0.00 H new ATOM 59 N GLY A 7 -1.339 -18.247 -5.176 1.00 0.00 N ATOM 60 CA GLY A 7 -0.825 -16.931 -5.510 1.00 0.00 C ATOM 61 C GLY A 7 0.563 -16.691 -4.951 1.00 0.00 C ATOM 62 O GLY A 7 1.075 -17.470 -4.146 1.00 0.00 O ATOM 0 H GLY A 7 -0.780 -19.026 -5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.801 -16.818 -6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.505 -16.171 -5.125 1.00 0.00 H new ATOM 66 N PRO A 8 1.197 -15.591 -5.383 1.00 0.00 N ATOM 67 CA PRO A 8 2.544 -15.226 -4.934 1.00 0.00 C ATOM 68 C PRO A 8 2.569 -14.787 -3.474 1.00 0.00 C ATOM 69 O PRO A 8 1.600 -14.220 -2.969 1.00 0.00 O ATOM 70 CB PRO A 8 2.919 -14.058 -5.850 1.00 0.00 C ATOM 71 CG PRO A 8 1.615 -13.469 -6.266 1.00 0.00 C ATOM 72 CD PRO A 8 0.648 -14.618 -6.342 1.00 0.00 C ATOM 0 HA PRO A 8 3.234 -16.068 -4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.535 -13.327 -5.327 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.492 -14.399 -6.712 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.277 -12.722 -5.548 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.703 -12.968 -7.230 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.362 -14.312 -6.070 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.595 -15.032 -7.349 1.00 0.00 H new ATOM 80 N SER A 9 3.684 -15.052 -2.800 1.00 0.00 N ATOM 81 CA SER A 9 3.834 -14.687 -1.396 1.00 0.00 C ATOM 82 C SER A 9 3.500 -13.214 -1.179 1.00 0.00 C ATOM 83 O SER A 9 3.235 -12.478 -2.130 1.00 0.00 O ATOM 84 CB SER A 9 5.261 -14.973 -0.923 1.00 0.00 C ATOM 85 OG SER A 9 5.320 -15.065 0.490 1.00 0.00 O ATOM 0 H SER A 9 4.497 -15.518 -3.204 1.00 0.00 H new ATOM 0 HA SER A 9 3.137 -15.289 -0.813 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.615 -15.904 -1.366 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.927 -14.182 -1.267 1.00 0.00 H new ATOM 0 HG SER A 9 6.242 -15.250 0.768 1.00 0.00 H new ATOM 91 N THR A 10 3.514 -12.790 0.081 1.00 0.00 N ATOM 92 CA THR A 10 3.211 -11.407 0.425 1.00 0.00 C ATOM 93 C THR A 10 4.148 -10.893 1.512 1.00 0.00 C ATOM 94 O THR A 10 4.863 -11.669 2.147 1.00 0.00 O ATOM 95 CB THR A 10 1.755 -11.252 0.902 1.00 0.00 C ATOM 96 OG1 THR A 10 1.431 -9.865 1.045 1.00 0.00 O ATOM 97 CG2 THR A 10 1.542 -11.966 2.229 1.00 0.00 C ATOM 0 H THR A 10 3.732 -13.385 0.880 1.00 0.00 H new ATOM 0 HA THR A 10 3.352 -10.818 -0.481 1.00 0.00 H new ATOM 0 HB THR A 10 1.101 -11.702 0.155 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.575 -9.682 0.604 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.507 -11.843 2.546 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.762 -13.027 2.111 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.205 -11.540 2.982 1.00 0.00 H new ATOM 105 N VAL A 11 4.139 -9.581 1.723 1.00 0.00 N ATOM 106 CA VAL A 11 4.987 -8.964 2.736 1.00 0.00 C ATOM 107 C VAL A 11 4.480 -9.273 4.140 1.00 0.00 C ATOM 108 O VAL A 11 3.291 -9.152 4.439 1.00 0.00 O ATOM 109 CB VAL A 11 5.059 -7.436 2.553 1.00 0.00 C ATOM 110 CG1 VAL A 11 5.573 -6.770 3.820 1.00 0.00 C ATOM 111 CG2 VAL A 11 5.936 -7.083 1.362 1.00 0.00 C ATOM 0 H VAL A 11 3.554 -8.925 1.206 1.00 0.00 H new ATOM 0 HA VAL A 11 5.985 -9.385 2.612 1.00 0.00 H new ATOM 0 HB VAL A 11 4.054 -7.063 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.617 -5.691 3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.901 -6.995 4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.570 -7.146 4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.976 -6.000 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.943 -7.468 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.519 -7.528 0.459 1.00 0.00 H new ATOM 121 N PRO A 12 5.401 -9.682 5.025 1.00 0.00 N ATOM 122 CA PRO A 12 5.071 -10.016 6.414 1.00 0.00 C ATOM 123 C PRO A 12 4.690 -8.787 7.231 1.00 0.00 C ATOM 124 O PRO A 12 3.785 -8.840 8.065 1.00 0.00 O ATOM 125 CB PRO A 12 6.367 -10.633 6.948 1.00 0.00 C ATOM 126 CG PRO A 12 7.442 -10.046 6.100 1.00 0.00 C ATOM 127 CD PRO A 12 6.836 -9.849 4.738 1.00 0.00 C ATOM 0 HA PRO A 12 4.208 -10.679 6.480 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.516 -10.392 8.000 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.350 -11.720 6.870 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.791 -9.099 6.512 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.306 -10.709 6.050 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.250 -8.974 4.236 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.019 -10.705 4.089 1.00 0.00 H new ATOM 135 N ILE A 13 5.385 -7.681 6.987 1.00 0.00 N ATOM 136 CA ILE A 13 5.117 -6.438 7.700 1.00 0.00 C ATOM 137 C ILE A 13 5.609 -5.232 6.907 1.00 0.00 C ATOM 138 O ILE A 13 6.501 -5.351 6.068 1.00 0.00 O ATOM 139 CB ILE A 13 5.784 -6.431 9.089 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.332 -5.207 9.889 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.299 -6.450 8.949 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.345 -5.425 11.385 1.00 0.00 C ATOM 0 H ILE A 13 6.138 -7.620 6.301 1.00 0.00 H new ATOM 0 HA ILE A 13 4.036 -6.372 7.824 1.00 0.00 H new ATOM 0 HB ILE A 13 5.478 -7.327 9.628 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.981 -4.365 9.647 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.324 -4.932 9.579 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.756 -6.445 9.939 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.604 -7.349 8.413 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.624 -5.570 8.395 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.013 -4.517 11.888 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.674 -6.246 11.639 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.357 -5.670 11.708 1.00 0.00 H new ATOM 154 N MET A 14 5.021 -4.072 7.179 1.00 0.00 N ATOM 155 CA MET A 14 5.401 -2.843 6.492 1.00 0.00 C ATOM 156 C MET A 14 6.105 -1.883 7.445 1.00 0.00 C ATOM 157 O MET A 14 5.841 -1.881 8.648 1.00 0.00 O ATOM 158 CB MET A 14 4.168 -2.168 5.888 1.00 0.00 C ATOM 159 CG MET A 14 3.827 -2.663 4.492 1.00 0.00 C ATOM 160 SD MET A 14 2.171 -2.176 3.968 1.00 0.00 S ATOM 161 CE MET A 14 2.539 -0.718 2.995 1.00 0.00 C ATOM 0 H MET A 14 4.280 -3.957 7.870 1.00 0.00 H new ATOM 0 HA MET A 14 6.092 -3.104 5.691 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.314 -2.337 6.543 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.334 -1.091 5.852 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.558 -2.273 3.784 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.907 -3.750 4.466 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.611 -0.201 2.750 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.185 -0.052 3.567 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.044 -1.012 2.075 1.00 0.00 H new ATOM 171 N HIS A 15 7.003 -1.068 6.901 1.00 0.00 N ATOM 172 CA HIS A 15 7.745 -0.102 7.704 1.00 0.00 C ATOM 173 C HIS A 15 7.568 1.311 7.156 1.00 0.00 C ATOM 174 O HIS A 15 7.447 1.506 5.947 1.00 0.00 O ATOM 175 CB HIS A 15 9.229 -0.468 7.737 1.00 0.00 C ATOM 176 CG HIS A 15 9.501 -1.817 8.327 1.00 0.00 C ATOM 177 ND1 HIS A 15 9.220 -2.135 9.639 1.00 0.00 N ATOM 178 CD2 HIS A 15 10.031 -2.934 7.776 1.00 0.00 C ATOM 179 CE1 HIS A 15 9.566 -3.389 9.870 1.00 0.00 C ATOM 180 NE2 HIS A 15 10.061 -3.896 8.755 1.00 0.00 N ATOM 0 H HIS A 15 7.235 -1.057 5.908 1.00 0.00 H new ATOM 0 HA HIS A 15 7.349 -0.130 8.719 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.625 -0.438 6.722 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.768 0.286 8.311 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.368 -3.047 6.756 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.462 -3.911 10.810 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.409 -4.848 8.640 1.00 0.00 H new ATOM 189 N GLN A 16 7.555 2.291 8.053 1.00 0.00 N ATOM 190 CA GLN A 16 7.391 3.685 7.658 1.00 0.00 C ATOM 191 C GLN A 16 8.737 4.402 7.624 1.00 0.00 C ATOM 192 O GLN A 16 9.443 4.468 8.630 1.00 0.00 O ATOM 193 CB GLN A 16 6.442 4.402 8.620 1.00 0.00 C ATOM 194 CG GLN A 16 6.390 5.907 8.414 1.00 0.00 C ATOM 195 CD GLN A 16 5.362 6.319 7.378 1.00 0.00 C ATOM 196 OE1 GLN A 16 5.755 7.210 6.475 1.00 0.00 O flip ATOM 197 NE2 GLN A 16 4.227 5.842 7.389 1.00 0.00 N flip ATOM 0 H GLN A 16 7.656 2.146 9.058 1.00 0.00 H new ATOM 0 HA GLN A 16 6.963 3.705 6.656 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.439 3.992 8.500 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.751 4.194 9.644 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.159 6.392 9.362 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.373 6.262 8.106 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.967 5.160 8.101 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.546 6.129 6.686 1.00 0.00 H new ATOM 206 N VAL A 17 9.086 4.939 6.459 1.00 0.00 N ATOM 207 CA VAL A 17 10.347 5.653 6.294 1.00 0.00 C ATOM 208 C VAL A 17 10.180 7.139 6.590 1.00 0.00 C ATOM 209 O VAL A 17 10.946 7.718 7.360 1.00 0.00 O ATOM 210 CB VAL A 17 10.905 5.484 4.868 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.263 6.156 4.743 1.00 0.00 C ATOM 212 CG2 VAL A 17 10.994 4.010 4.502 1.00 0.00 C ATOM 0 H VAL A 17 8.514 4.893 5.616 1.00 0.00 H new ATOM 0 HA VAL A 17 11.051 5.221 7.005 1.00 0.00 H new ATOM 0 HB VAL A 17 10.222 5.967 4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.641 6.026 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.164 7.220 4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 17 12.959 5.705 5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.390 3.909 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.655 3.500 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.001 3.563 4.549 1.00 0.00 H new ATOM 222 N SER A 18 9.174 7.750 5.973 1.00 0.00 N ATOM 223 CA SER A 18 8.908 9.171 6.168 1.00 0.00 C ATOM 224 C SER A 18 7.476 9.515 5.772 1.00 0.00 C ATOM 225 O SER A 18 6.870 8.837 4.942 1.00 0.00 O ATOM 226 CB SER A 18 9.892 10.012 5.352 1.00 0.00 C ATOM 227 OG SER A 18 10.231 9.365 4.138 1.00 0.00 O ATOM 0 H SER A 18 8.530 7.284 5.334 1.00 0.00 H new ATOM 0 HA SER A 18 9.038 9.398 7.226 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.452 10.986 5.138 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.794 10.191 5.937 1.00 0.00 H new ATOM 0 HG SER A 18 10.859 9.923 3.634 1.00 0.00 H new ATOM 233 N ALA A 19 6.940 10.573 6.372 1.00 0.00 N ATOM 234 CA ALA A 19 5.580 11.009 6.081 1.00 0.00 C ATOM 235 C ALA A 19 5.487 12.531 6.048 1.00 0.00 C ATOM 236 O ALA A 19 6.038 13.217 6.909 1.00 0.00 O ATOM 237 CB ALA A 19 4.613 10.441 7.108 1.00 0.00 C ATOM 0 H ALA A 19 7.427 11.144 7.063 1.00 0.00 H new ATOM 0 HA ALA A 19 5.307 10.633 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.601 10.775 6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.651 9.352 7.080 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.893 10.789 8.102 1.00 0.00 H new ATOM 243 N THR A 20 4.786 13.055 5.047 1.00 0.00 N ATOM 244 CA THR A 20 4.623 14.496 4.900 1.00 0.00 C ATOM 245 C THR A 20 3.283 14.957 5.462 1.00 0.00 C ATOM 246 O THR A 20 2.537 14.167 6.041 1.00 0.00 O ATOM 247 CB THR A 20 4.723 14.925 3.424 1.00 0.00 C ATOM 248 OG1 THR A 20 3.651 14.346 2.672 1.00 0.00 O ATOM 249 CG2 THR A 20 6.056 14.501 2.827 1.00 0.00 C ATOM 0 H THR A 20 4.322 12.503 4.326 1.00 0.00 H new ATOM 0 HA THR A 20 5.431 14.965 5.462 1.00 0.00 H new ATOM 0 HB THR A 20 4.652 16.012 3.378 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.438 14.923 1.909 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.104 14.815 1.784 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.869 14.967 3.384 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.152 13.417 2.885 1.00 0.00 H new ATOM 257 N MET A 21 2.983 16.239 5.288 1.00 0.00 N ATOM 258 CA MET A 21 1.731 16.805 5.776 1.00 0.00 C ATOM 259 C MET A 21 0.606 16.585 4.770 1.00 0.00 C ATOM 260 O MET A 21 -0.573 16.674 5.114 1.00 0.00 O ATOM 261 CB MET A 21 1.896 18.300 6.056 1.00 0.00 C ATOM 262 CG MET A 21 2.534 18.599 7.403 1.00 0.00 C ATOM 263 SD MET A 21 2.532 20.359 7.796 1.00 0.00 S ATOM 264 CE MET A 21 0.817 20.773 7.487 1.00 0.00 C ATOM 0 H MET A 21 3.590 16.906 4.812 1.00 0.00 H new ATOM 0 HA MET A 21 1.469 16.296 6.704 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.505 18.744 5.268 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.918 18.780 6.012 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.000 18.056 8.182 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.560 18.231 7.404 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.596 21.751 7.915 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.637 20.798 6.412 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.173 20.022 7.945 1.00 0.00 H new ATOM 274 N ARG A 22 0.977 16.298 3.527 1.00 0.00 N ATOM 275 CA ARG A 22 -0.001 16.067 2.471 1.00 0.00 C ATOM 276 C ARG A 22 0.256 14.735 1.773 1.00 0.00 C ATOM 277 O ARG A 22 -0.386 14.412 0.774 1.00 0.00 O ATOM 278 CB ARG A 22 0.041 17.206 1.450 1.00 0.00 C ATOM 279 CG ARG A 22 -0.500 18.522 1.984 1.00 0.00 C ATOM 280 CD ARG A 22 -0.259 19.661 1.005 1.00 0.00 C ATOM 281 NE ARG A 22 -1.111 20.814 1.286 1.00 0.00 N ATOM 282 CZ ARG A 22 -0.930 21.626 2.321 1.00 0.00 C ATOM 283 NH1 ARG A 22 0.067 21.413 3.169 1.00 0.00 N ATOM 284 NH2 ARG A 22 -1.747 22.654 2.510 1.00 0.00 N ATOM 0 H ARG A 22 1.949 16.220 3.226 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.990 16.033 2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.071 17.352 1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.535 16.916 0.571 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.569 18.426 2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.024 18.753 2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.787 19.963 1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.445 19.312 -0.011 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.887 21.006 0.653 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.697 20.624 3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.204 22.038 3.963 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.515 22.821 1.860 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.607 23.277 3.305 1.00 0.00 H new ATOM 298 N SER A 23 1.200 13.966 2.307 1.00 0.00 N ATOM 299 CA SER A 23 1.545 12.670 1.733 1.00 0.00 C ATOM 300 C SER A 23 2.254 11.793 2.761 1.00 0.00 C ATOM 301 O SER A 23 2.625 12.257 3.839 1.00 0.00 O ATOM 302 CB SER A 23 2.435 12.855 0.503 1.00 0.00 C ATOM 303 OG SER A 23 1.993 13.944 -0.288 1.00 0.00 O ATOM 0 H SER A 23 1.739 14.218 3.135 1.00 0.00 H new ATOM 0 HA SER A 23 0.622 12.175 1.433 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.465 13.025 0.818 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.430 11.943 -0.094 1.00 0.00 H new ATOM 0 HG SER A 23 1.015 13.999 -0.252 1.00 0.00 H new ATOM 309 N ILE A 24 2.437 10.522 2.418 1.00 0.00 N ATOM 310 CA ILE A 24 3.102 9.579 3.309 1.00 0.00 C ATOM 311 C ILE A 24 3.996 8.622 2.528 1.00 0.00 C ATOM 312 O ILE A 24 3.661 8.208 1.418 1.00 0.00 O ATOM 313 CB ILE A 24 2.083 8.763 4.126 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.092 9.696 4.824 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.800 7.886 5.142 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.106 8.978 5.407 1.00 0.00 C ATOM 0 H ILE A 24 2.134 10.122 1.530 1.00 0.00 H new ATOM 0 HA ILE A 24 3.714 10.167 3.992 1.00 0.00 H new ATOM 0 HB ILE A 24 1.527 8.117 3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.608 10.231 5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.746 10.444 4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.067 7.315 5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.469 7.200 4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.378 8.513 5.820 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.766 9.701 5.886 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.646 8.466 4.611 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.230 8.249 6.145 1.00 0.00 H new ATOM 328 N THR A 25 5.135 8.271 3.118 1.00 0.00 N ATOM 329 CA THR A 25 6.077 7.361 2.479 1.00 0.00 C ATOM 330 C THR A 25 6.206 6.061 3.265 1.00 0.00 C ATOM 331 O THR A 25 6.548 6.072 4.449 1.00 0.00 O ATOM 332 CB THR A 25 7.470 8.003 2.337 1.00 0.00 C ATOM 333 OG1 THR A 25 7.339 9.397 2.037 1.00 0.00 O ATOM 334 CG2 THR A 25 8.273 7.317 1.242 1.00 0.00 C ATOM 0 H THR A 25 5.427 8.603 4.037 1.00 0.00 H new ATOM 0 HA THR A 25 5.682 7.144 1.486 1.00 0.00 H new ATOM 0 HB THR A 25 7.999 7.883 3.283 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.118 9.888 2.856 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.253 7.788 1.160 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.396 6.262 1.488 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.746 7.409 0.292 1.00 0.00 H new ATOM 342 N LEU A 26 5.932 4.944 2.601 1.00 0.00 N ATOM 343 CA LEU A 26 6.019 3.635 3.239 1.00 0.00 C ATOM 344 C LEU A 26 6.976 2.721 2.479 1.00 0.00 C ATOM 345 O LEU A 26 7.351 3.007 1.343 1.00 0.00 O ATOM 346 CB LEU A 26 4.634 2.990 3.316 1.00 0.00 C ATOM 347 CG LEU A 26 3.479 3.924 3.680 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.165 3.384 3.137 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.398 4.111 5.188 1.00 0.00 C ATOM 0 H LEU A 26 5.648 4.918 1.622 1.00 0.00 H new ATOM 0 HA LEU A 26 6.405 3.776 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.414 2.532 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.670 2.186 4.051 1.00 0.00 H new ATOM 0 HG LEU A 26 3.666 4.896 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.354 4.061 3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.226 3.303 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.972 2.400 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.570 4.779 5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.235 3.145 5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.330 4.544 5.552 1.00 0.00 H new ATOM 361 N SER A 27 7.364 1.620 3.114 1.00 0.00 N ATOM 362 CA SER A 27 8.278 0.665 2.499 1.00 0.00 C ATOM 363 C SER A 27 8.051 -0.738 3.053 1.00 0.00 C ATOM 364 O SER A 27 7.603 -0.904 4.188 1.00 0.00 O ATOM 365 CB SER A 27 9.729 1.090 2.735 1.00 0.00 C ATOM 366 OG SER A 27 10.630 0.213 2.083 1.00 0.00 O ATOM 0 H SER A 27 7.060 1.367 4.054 1.00 0.00 H new ATOM 0 HA SER A 27 8.081 0.650 1.427 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.877 2.106 2.370 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.938 1.102 3.805 1.00 0.00 H new ATOM 0 HG SER A 27 11.550 0.507 2.248 1.00 0.00 H new ATOM 372 N TRP A 28 8.364 -1.744 2.245 1.00 0.00 N ATOM 373 CA TRP A 28 8.195 -3.134 2.653 1.00 0.00 C ATOM 374 C TRP A 28 9.281 -4.016 2.047 1.00 0.00 C ATOM 375 O TRP A 28 9.781 -3.762 0.951 1.00 0.00 O ATOM 376 CB TRP A 28 6.815 -3.645 2.236 1.00 0.00 C ATOM 377 CG TRP A 28 6.509 -3.414 0.787 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.680 -4.300 -0.238 1.00 0.00 C ATOM 379 CD2 TRP A 28 5.979 -2.219 0.204 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.290 -3.727 -1.424 1.00 0.00 N ATOM 381 CE2 TRP A 28 5.855 -2.451 -1.180 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.596 -0.976 0.715 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.365 -1.486 -2.056 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.111 -0.019 -0.155 1.00 0.00 C ATOM 385 CH2 TRP A 28 4.997 -0.278 -1.528 1.00 0.00 C ATOM 0 H TRP A 28 8.736 -1.623 1.303 1.00 0.00 H new ATOM 0 HA TRP A 28 8.280 -3.180 3.739 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.751 -4.712 2.448 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.055 -3.154 2.843 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.065 -5.303 -0.132 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.320 -4.178 -2.338 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.678 -0.767 1.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.278 -1.684 -3.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.814 0.946 0.229 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.611 0.490 -2.182 1.00 0.00 H new ATOM 396 N PRO A 29 9.658 -5.077 2.775 1.00 0.00 N ATOM 397 CA PRO A 29 10.689 -6.018 2.328 1.00 0.00 C ATOM 398 C PRO A 29 10.227 -6.868 1.149 1.00 0.00 C ATOM 399 O PRO A 29 9.028 -7.045 0.934 1.00 0.00 O ATOM 400 CB PRO A 29 10.926 -6.896 3.560 1.00 0.00 C ATOM 401 CG PRO A 29 9.653 -6.821 4.329 1.00 0.00 C ATOM 402 CD PRO A 29 9.106 -5.441 4.091 1.00 0.00 C ATOM 0 HA PRO A 29 11.583 -5.505 1.975 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.157 -7.923 3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.767 -6.532 4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.949 -7.583 3.994 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.828 -6.994 5.391 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.016 -5.436 4.085 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.423 -4.744 4.867 1.00 0.00 H new ATOM 410 N GLN A 30 11.185 -7.390 0.391 1.00 0.00 N ATOM 411 CA GLN A 30 10.874 -8.221 -0.767 1.00 0.00 C ATOM 412 C GLN A 30 10.700 -9.680 -0.358 1.00 0.00 C ATOM 413 O GLN A 30 11.510 -10.245 0.377 1.00 0.00 O ATOM 414 CB GLN A 30 11.979 -8.102 -1.818 1.00 0.00 C ATOM 415 CG GLN A 30 11.540 -8.520 -3.212 1.00 0.00 C ATOM 416 CD GLN A 30 12.467 -8.005 -4.295 1.00 0.00 C ATOM 417 OE1 GLN A 30 13.321 -7.153 -4.044 1.00 0.00 O ATOM 418 NE2 GLN A 30 12.305 -8.520 -5.508 1.00 0.00 N ATOM 0 H GLN A 30 12.182 -7.253 0.557 1.00 0.00 H new ATOM 0 HA GLN A 30 9.936 -7.868 -1.195 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.329 -7.070 -1.850 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.826 -8.716 -1.513 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.496 -9.608 -3.264 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.531 -8.151 -3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.585 -9.224 -5.671 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.901 -8.212 -6.277 1.00 0.00 H new ATOM 427 N PRO A 31 9.619 -10.306 -0.845 1.00 0.00 N ATOM 428 CA PRO A 31 9.313 -11.708 -0.544 1.00 0.00 C ATOM 429 C PRO A 31 10.291 -12.670 -1.210 1.00 0.00 C ATOM 430 O PRO A 31 11.065 -12.277 -2.081 1.00 0.00 O ATOM 431 CB PRO A 31 7.905 -11.895 -1.116 1.00 0.00 C ATOM 432 CG PRO A 31 7.794 -10.869 -2.190 1.00 0.00 C ATOM 433 CD PRO A 31 8.611 -9.694 -1.727 1.00 0.00 C ATOM 0 HA PRO A 31 9.386 -11.921 0.522 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.769 -12.901 -1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.144 -11.750 -0.350 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.168 -11.255 -3.138 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.755 -10.583 -2.350 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.074 -9.171 -2.564 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.000 -8.965 -1.194 1.00 0.00 H new ATOM 441 N GLU A 32 10.248 -13.932 -0.793 1.00 0.00 N ATOM 442 CA GLU A 32 11.131 -14.950 -1.350 1.00 0.00 C ATOM 443 C GLU A 32 10.329 -16.039 -2.058 1.00 0.00 C ATOM 444 O GLU A 32 10.893 -16.896 -2.736 1.00 0.00 O ATOM 445 CB GLU A 32 11.991 -15.570 -0.247 1.00 0.00 C ATOM 446 CG GLU A 32 11.187 -16.077 0.939 1.00 0.00 C ATOM 447 CD GLU A 32 12.044 -16.803 1.957 1.00 0.00 C ATOM 448 OE1 GLU A 32 12.309 -18.007 1.758 1.00 0.00 O ATOM 449 OE2 GLU A 32 12.450 -16.168 2.953 1.00 0.00 O ATOM 0 H GLU A 32 9.612 -14.273 -0.072 1.00 0.00 H new ATOM 0 HA GLU A 32 11.781 -14.469 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.565 -16.397 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.709 -14.828 0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.690 -15.236 1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.405 -16.748 0.583 1.00 0.00 H new ATOM 456 N GLN A 33 9.011 -15.996 -1.893 1.00 0.00 N ATOM 457 CA GLN A 33 8.132 -16.979 -2.514 1.00 0.00 C ATOM 458 C GLN A 33 7.132 -16.303 -3.446 1.00 0.00 C ATOM 459 O GLN A 33 5.934 -16.584 -3.419 1.00 0.00 O ATOM 460 CB GLN A 33 7.388 -17.779 -1.443 1.00 0.00 C ATOM 461 CG GLN A 33 8.160 -18.989 -0.942 1.00 0.00 C ATOM 462 CD GLN A 33 7.251 -20.091 -0.433 1.00 0.00 C ATOM 463 OE1 GLN A 33 6.314 -19.838 0.325 1.00 0.00 O ATOM 464 NE2 GLN A 33 7.523 -21.322 -0.848 1.00 0.00 N ATOM 0 H GLN A 33 8.529 -15.291 -1.335 1.00 0.00 H new ATOM 0 HA GLN A 33 8.748 -17.659 -3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.168 -17.124 -0.600 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.432 -18.110 -1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.781 -19.379 -1.749 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.833 -18.680 -0.142 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.310 -21.486 -1.476 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.945 -22.104 -0.539 1.00 0.00 H new ATOM 473 N PRO A 34 7.634 -15.390 -4.291 1.00 0.00 N ATOM 474 CA PRO A 34 6.801 -14.655 -5.248 1.00 0.00 C ATOM 475 C PRO A 34 6.279 -15.548 -6.368 1.00 0.00 C ATOM 476 O PRO A 34 5.602 -15.081 -7.282 1.00 0.00 O ATOM 477 CB PRO A 34 7.755 -13.597 -5.808 1.00 0.00 C ATOM 478 CG PRO A 34 9.114 -14.182 -5.634 1.00 0.00 C ATOM 479 CD PRO A 34 9.053 -15.006 -4.378 1.00 0.00 C ATOM 0 HA PRO A 34 5.910 -14.239 -4.778 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.545 -13.390 -6.857 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.659 -12.653 -5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.387 -14.797 -6.491 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.868 -13.399 -5.551 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.703 -15.879 -4.438 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.369 -14.433 -3.506 1.00 0.00 H new ATOM 487 N ASN A 35 6.599 -16.836 -6.289 1.00 0.00 N ATOM 488 CA ASN A 35 6.161 -17.795 -7.297 1.00 0.00 C ATOM 489 C ASN A 35 6.502 -17.303 -8.701 1.00 0.00 C ATOM 490 O ASN A 35 5.795 -17.598 -9.663 1.00 0.00 O ATOM 491 CB ASN A 35 4.655 -18.037 -7.182 1.00 0.00 C ATOM 492 CG ASN A 35 4.306 -18.973 -6.041 1.00 0.00 C ATOM 493 OD1 ASN A 35 3.778 -20.064 -6.257 1.00 0.00 O ATOM 494 ND2 ASN A 35 4.600 -18.549 -4.817 1.00 0.00 N ATOM 0 H ASN A 35 7.159 -17.239 -5.538 1.00 0.00 H new ATOM 0 HA ASN A 35 6.687 -18.733 -7.122 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.147 -17.084 -7.035 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.284 -18.455 -8.118 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.388 -19.135 -4.010 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.038 -17.637 -4.685 1.00 0.00 H new ATOM 501 N GLY A 36 7.593 -16.550 -8.809 1.00 0.00 N ATOM 502 CA GLY A 36 8.009 -16.028 -10.098 1.00 0.00 C ATOM 503 C GLY A 36 8.623 -14.647 -9.994 1.00 0.00 C ATOM 504 O GLY A 36 9.265 -14.319 -8.995 1.00 0.00 O ATOM 0 H GLY A 36 8.196 -16.292 -8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.731 -16.710 -10.547 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.148 -15.990 -10.766 1.00 0.00 H new ATOM 508 N ILE A 37 8.428 -13.835 -11.027 1.00 0.00 N ATOM 509 CA ILE A 37 8.969 -12.481 -11.048 1.00 0.00 C ATOM 510 C ILE A 37 7.873 -11.448 -10.807 1.00 0.00 C ATOM 511 O ILE A 37 6.946 -11.314 -11.606 1.00 0.00 O ATOM 512 CB ILE A 37 9.664 -12.172 -12.386 1.00 0.00 C ATOM 513 CG1 ILE A 37 10.739 -13.221 -12.682 1.00 0.00 C ATOM 514 CG2 ILE A 37 10.271 -10.777 -12.359 1.00 0.00 C ATOM 515 CD1 ILE A 37 10.962 -13.458 -14.159 1.00 0.00 C ATOM 0 H ILE A 37 7.899 -14.091 -11.861 1.00 0.00 H new ATOM 0 HA ILE A 37 9.704 -12.423 -10.245 1.00 0.00 H new ATOM 0 HB ILE A 37 8.919 -12.207 -13.181 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.678 -12.905 -12.227 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.457 -14.162 -12.210 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.759 -10.574 -13.312 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.485 -10.041 -12.190 1.00 0.00 H new ATOM 0 HG23 ILE A 37 11.005 -10.715 -11.556 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.737 -14.213 -14.293 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.035 -13.804 -14.616 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.275 -12.528 -14.633 1.00 0.00 H new ATOM 527 N ILE A 38 7.987 -10.720 -9.701 1.00 0.00 N ATOM 528 CA ILE A 38 7.007 -9.697 -9.357 1.00 0.00 C ATOM 529 C ILE A 38 7.076 -8.521 -10.326 1.00 0.00 C ATOM 530 O ILE A 38 8.069 -7.794 -10.368 1.00 0.00 O ATOM 531 CB ILE A 38 7.217 -9.177 -7.922 1.00 0.00 C ATOM 532 CG1 ILE A 38 7.134 -10.331 -6.921 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.188 -8.106 -7.591 1.00 0.00 C ATOM 534 CD1 ILE A 38 7.548 -9.946 -5.519 1.00 0.00 C ATOM 0 H ILE A 38 8.747 -10.819 -9.029 1.00 0.00 H new ATOM 0 HA ILE A 38 6.025 -10.165 -9.426 1.00 0.00 H new ATOM 0 HB ILE A 38 8.210 -8.733 -7.854 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.112 -10.709 -6.898 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.768 -11.147 -7.267 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.349 -7.748 -6.574 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.291 -7.275 -8.288 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.186 -8.527 -7.673 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.464 -10.813 -4.864 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.580 -9.596 -5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.899 -9.151 -5.153 1.00 0.00 H new ATOM 546 N LEU A 39 6.014 -8.340 -11.103 1.00 0.00 N ATOM 547 CA LEU A 39 5.952 -7.251 -12.072 1.00 0.00 C ATOM 548 C LEU A 39 5.882 -5.899 -11.368 1.00 0.00 C ATOM 549 O LEU A 39 6.696 -5.012 -11.626 1.00 0.00 O ATOM 550 CB LEU A 39 4.739 -7.425 -12.987 1.00 0.00 C ATOM 551 CG LEU A 39 4.606 -8.785 -13.674 1.00 0.00 C ATOM 552 CD1 LEU A 39 3.152 -9.069 -14.020 1.00 0.00 C ATOM 553 CD2 LEU A 39 5.473 -8.838 -14.924 1.00 0.00 C ATOM 0 H LEU A 39 5.184 -8.933 -11.081 1.00 0.00 H new ATOM 0 HA LEU A 39 6.861 -7.280 -12.673 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.838 -7.247 -12.400 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.776 -6.654 -13.756 1.00 0.00 H new ATOM 0 HG LEU A 39 4.951 -9.554 -12.983 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.077 -10.041 -14.508 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.555 -9.074 -13.108 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.780 -8.296 -14.692 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.366 -9.813 -15.400 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.159 -8.059 -15.618 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.516 -8.681 -14.650 1.00 0.00 H new ATOM 565 N ASP A 40 4.907 -5.751 -10.478 1.00 0.00 N ATOM 566 CA ASP A 40 4.733 -4.509 -9.734 1.00 0.00 C ATOM 567 C ASP A 40 3.975 -4.756 -8.434 1.00 0.00 C ATOM 568 O ASP A 40 3.426 -5.837 -8.219 1.00 0.00 O ATOM 569 CB ASP A 40 3.989 -3.480 -10.586 1.00 0.00 C ATOM 570 CG ASP A 40 4.659 -3.242 -11.925 1.00 0.00 C ATOM 571 OD1 ASP A 40 4.343 -3.977 -12.884 1.00 0.00 O ATOM 572 OD2 ASP A 40 5.500 -2.323 -12.013 1.00 0.00 O ATOM 0 H ASP A 40 4.225 -6.476 -10.254 1.00 0.00 H new ATOM 0 HA ASP A 40 5.721 -4.119 -9.488 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.967 -3.820 -10.750 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.928 -2.538 -10.041 1.00 0.00 H new ATOM 577 N TYR A 41 3.950 -3.748 -7.569 1.00 0.00 N ATOM 578 CA TYR A 41 3.263 -3.857 -6.288 1.00 0.00 C ATOM 579 C TYR A 41 2.094 -2.878 -6.212 1.00 0.00 C ATOM 580 O TYR A 41 2.229 -1.707 -6.564 1.00 0.00 O ATOM 581 CB TYR A 41 4.237 -3.595 -5.138 1.00 0.00 C ATOM 582 CG TYR A 41 5.462 -4.481 -5.169 1.00 0.00 C ATOM 583 CD1 TYR A 41 6.540 -4.181 -5.992 1.00 0.00 C ATOM 584 CD2 TYR A 41 5.540 -5.620 -4.376 1.00 0.00 C ATOM 585 CE1 TYR A 41 7.661 -4.988 -6.024 1.00 0.00 C ATOM 586 CE2 TYR A 41 6.658 -6.432 -4.401 1.00 0.00 C ATOM 587 CZ TYR A 41 7.715 -6.112 -5.227 1.00 0.00 C ATOM 588 OH TYR A 41 8.829 -6.919 -5.255 1.00 0.00 O ATOM 0 H TYR A 41 4.398 -2.846 -7.732 1.00 0.00 H new ATOM 0 HA TYR A 41 2.872 -4.871 -6.200 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.552 -2.552 -5.170 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.717 -3.742 -4.192 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.501 -3.302 -6.618 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.713 -5.875 -3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.490 -4.740 -6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.704 -7.312 -3.777 1.00 0.00 H new ATOM 0 HH TYR A 41 9.475 -6.608 -4.587 1.00 0.00 H new ATOM 598 N GLU A 42 0.949 -3.369 -5.749 1.00 0.00 N ATOM 599 CA GLU A 42 -0.243 -2.539 -5.627 1.00 0.00 C ATOM 600 C GLU A 42 -0.422 -2.052 -4.192 1.00 0.00 C ATOM 601 O GLU A 42 -0.165 -2.789 -3.239 1.00 0.00 O ATOM 602 CB GLU A 42 -1.483 -3.319 -6.071 1.00 0.00 C ATOM 603 CG GLU A 42 -2.720 -2.452 -6.236 1.00 0.00 C ATOM 604 CD GLU A 42 -2.710 -1.662 -7.530 1.00 0.00 C ATOM 605 OE1 GLU A 42 -1.855 -0.762 -7.669 1.00 0.00 O ATOM 606 OE2 GLU A 42 -3.557 -1.943 -8.403 1.00 0.00 O ATOM 0 H GLU A 42 0.822 -4.337 -5.452 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.118 -1.671 -6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.270 -3.817 -7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.692 -4.100 -5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.608 -3.083 -6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.791 -1.763 -5.394 1.00 0.00 H new ATOM 613 N ILE A 43 -0.864 -0.808 -4.046 1.00 0.00 N ATOM 614 CA ILE A 43 -1.078 -0.222 -2.728 1.00 0.00 C ATOM 615 C ILE A 43 -2.479 0.367 -2.609 1.00 0.00 C ATOM 616 O ILE A 43 -2.852 1.264 -3.366 1.00 0.00 O ATOM 617 CB ILE A 43 -0.042 0.877 -2.426 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.359 0.272 -2.314 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.411 1.614 -1.146 1.00 0.00 C ATOM 620 CD1 ILE A 43 2.048 0.095 -3.649 1.00 0.00 C ATOM 0 H ILE A 43 -1.081 -0.186 -4.824 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.963 -1.027 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.043 1.593 -3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.973 0.911 -1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.289 -0.696 -1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.330 2.388 -0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.393 2.073 -1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.435 0.910 -0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.036 -0.338 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.456 -0.569 -4.279 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.149 1.064 -4.137 1.00 0.00 H new ATOM 632 N ARG A 44 -3.250 -0.141 -1.654 1.00 0.00 N ATOM 633 CA ARG A 44 -4.610 0.336 -1.435 1.00 0.00 C ATOM 634 C ARG A 44 -4.710 1.110 -0.124 1.00 0.00 C ATOM 635 O ARG A 44 -4.423 0.576 0.948 1.00 0.00 O ATOM 636 CB ARG A 44 -5.589 -0.839 -1.421 1.00 0.00 C ATOM 637 CG ARG A 44 -7.015 -0.440 -1.077 1.00 0.00 C ATOM 638 CD ARG A 44 -8.001 -1.547 -1.417 1.00 0.00 C ATOM 639 NE ARG A 44 -7.829 -2.716 -0.559 1.00 0.00 N ATOM 640 CZ ARG A 44 -8.532 -3.835 -0.692 1.00 0.00 C ATOM 641 NH1 ARG A 44 -9.449 -3.937 -1.644 1.00 0.00 N ATOM 642 NH2 ARG A 44 -8.317 -4.856 0.128 1.00 0.00 N ATOM 0 H ARG A 44 -2.956 -0.883 -1.019 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.869 1.007 -2.254 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.581 -1.319 -2.400 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.244 -1.580 -0.700 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.082 -0.205 -0.015 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.282 0.466 -1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.019 -1.170 -1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.872 -1.840 -2.459 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.131 -2.671 0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.616 -3.155 -2.277 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.987 -4.798 -1.744 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.612 -4.782 0.861 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.857 -5.715 0.025 1.00 0.00 H new ATOM 656 N TYR A 45 -5.119 2.371 -0.217 1.00 0.00 N ATOM 657 CA TYR A 45 -5.255 3.219 0.961 1.00 0.00 C ATOM 658 C TYR A 45 -6.660 3.806 1.051 1.00 0.00 C ATOM 659 O TYR A 45 -7.266 4.154 0.037 1.00 0.00 O ATOM 660 CB TYR A 45 -4.221 4.346 0.925 1.00 0.00 C ATOM 661 CG TYR A 45 -4.347 5.246 -0.284 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.852 4.853 -1.521 1.00 0.00 C ATOM 663 CD2 TYR A 45 -4.961 6.488 -0.188 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.965 5.672 -2.628 1.00 0.00 C ATOM 665 CE2 TYR A 45 -5.079 7.313 -1.290 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.580 6.901 -2.508 1.00 0.00 C ATOM 667 OH TYR A 45 -4.694 7.720 -3.608 1.00 0.00 O ATOM 0 H TYR A 45 -5.362 2.828 -1.096 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.082 2.603 1.843 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.321 4.948 1.828 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.222 3.911 0.941 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.371 3.891 -1.619 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.353 6.814 0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.574 5.352 -3.582 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.560 8.276 -1.198 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.153 8.548 -3.353 1.00 0.00 H new ATOM 677 N TYR A 46 -7.172 3.914 2.272 1.00 0.00 N ATOM 678 CA TYR A 46 -8.506 4.457 2.496 1.00 0.00 C ATOM 679 C TYR A 46 -8.628 5.040 3.901 1.00 0.00 C ATOM 680 O TYR A 46 -8.136 4.461 4.869 1.00 0.00 O ATOM 681 CB TYR A 46 -9.563 3.371 2.289 1.00 0.00 C ATOM 682 CG TYR A 46 -9.500 2.261 3.314 1.00 0.00 C ATOM 683 CD1 TYR A 46 -10.174 2.367 4.524 1.00 0.00 C ATOM 684 CD2 TYR A 46 -8.766 1.106 3.071 1.00 0.00 C ATOM 685 CE1 TYR A 46 -10.119 1.356 5.463 1.00 0.00 C ATOM 686 CE2 TYR A 46 -8.706 0.089 4.004 1.00 0.00 C ATOM 687 CZ TYR A 46 -9.384 0.219 5.199 1.00 0.00 C ATOM 688 OH TYR A 46 -9.327 -0.792 6.131 1.00 0.00 O ATOM 0 H TYR A 46 -6.683 3.633 3.122 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.671 5.257 1.774 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.552 3.828 2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.442 2.943 1.294 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.751 3.255 4.734 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.234 1.002 2.137 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.649 1.455 6.399 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.132 -0.803 3.799 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.769 -1.521 5.789 1.00 0.00 H new ATOM 698 N GLU A 47 -9.289 6.189 4.003 1.00 0.00 N ATOM 699 CA GLU A 47 -9.476 6.850 5.289 1.00 0.00 C ATOM 700 C GLU A 47 -9.942 5.856 6.349 1.00 0.00 C ATOM 701 O GLU A 47 -10.796 5.008 6.090 1.00 0.00 O ATOM 702 CB GLU A 47 -10.491 7.988 5.159 1.00 0.00 C ATOM 703 CG GLU A 47 -9.887 9.289 4.659 1.00 0.00 C ATOM 704 CD GLU A 47 -10.773 10.488 4.934 1.00 0.00 C ATOM 705 OE1 GLU A 47 -11.183 10.668 6.100 1.00 0.00 O ATOM 706 OE2 GLU A 47 -11.057 11.246 3.983 1.00 0.00 O ATOM 0 H GLU A 47 -9.703 6.681 3.211 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.516 7.262 5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.284 7.680 4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.955 8.162 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.918 9.442 5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.707 9.213 3.587 1.00 0.00 H new ATOM 713 N LYS A 48 -9.373 5.967 7.545 1.00 0.00 N ATOM 714 CA LYS A 48 -9.729 5.080 8.646 1.00 0.00 C ATOM 715 C LYS A 48 -11.243 4.988 8.804 1.00 0.00 C ATOM 716 O LYS A 48 -11.780 3.925 9.112 1.00 0.00 O ATOM 717 CB LYS A 48 -9.099 5.575 9.951 1.00 0.00 C ATOM 718 CG LYS A 48 -9.280 4.617 11.115 1.00 0.00 C ATOM 719 CD LYS A 48 -8.172 4.772 12.143 1.00 0.00 C ATOM 720 CE LYS A 48 -8.617 4.303 13.519 1.00 0.00 C ATOM 721 NZ LYS A 48 -7.566 4.529 14.549 1.00 0.00 N ATOM 0 H LYS A 48 -8.664 6.662 7.776 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.344 4.086 8.417 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.034 5.741 9.790 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.536 6.539 10.213 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.245 4.797 11.589 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.293 3.592 10.745 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.299 4.200 11.827 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.867 5.817 12.195 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.526 4.831 13.806 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.864 3.242 13.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.908 4.196 15.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.706 4.005 14.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.348 5.544 14.606 1.00 0.00 H new ATOM 735 N GLU A 49 -11.926 6.108 8.588 1.00 0.00 N ATOM 736 CA GLU A 49 -13.378 6.152 8.705 1.00 0.00 C ATOM 737 C GLU A 49 -14.042 5.495 7.498 1.00 0.00 C ATOM 738 O GLU A 49 -15.086 4.853 7.622 1.00 0.00 O ATOM 739 CB GLU A 49 -13.858 7.599 8.840 1.00 0.00 C ATOM 740 CG GLU A 49 -13.625 8.191 10.219 1.00 0.00 C ATOM 741 CD GLU A 49 -14.274 7.377 11.322 1.00 0.00 C ATOM 742 OE1 GLU A 49 -15.461 7.020 11.174 1.00 0.00 O ATOM 743 OE2 GLU A 49 -13.595 7.097 12.331 1.00 0.00 O ATOM 0 H GLU A 49 -11.496 6.997 8.331 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.661 5.598 9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.346 8.213 8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.923 7.643 8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.553 8.258 10.405 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.017 9.208 10.245 1.00 0.00 H new ATOM 750 N HIS A 50 -13.429 5.660 6.330 1.00 0.00 N ATOM 751 CA HIS A 50 -13.959 5.083 5.100 1.00 0.00 C ATOM 752 C HIS A 50 -13.635 3.595 5.014 1.00 0.00 C ATOM 753 O HIS A 50 -12.740 3.104 5.700 1.00 0.00 O ATOM 754 CB HIS A 50 -13.389 5.812 3.883 1.00 0.00 C ATOM 755 CG HIS A 50 -13.950 7.188 3.692 1.00 0.00 C ATOM 756 ND1 HIS A 50 -14.634 7.571 2.558 1.00 0.00 N ATOM 757 CD2 HIS A 50 -13.926 8.274 4.500 1.00 0.00 C ATOM 758 CE1 HIS A 50 -15.006 8.834 2.676 1.00 0.00 C ATOM 759 NE2 HIS A 50 -14.588 9.283 3.846 1.00 0.00 N ATOM 0 H HIS A 50 -12.565 6.189 6.210 1.00 0.00 H new ATOM 0 HA HIS A 50 -15.043 5.201 5.110 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.306 5.881 3.985 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.588 5.220 2.989 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.471 8.335 5.477 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.558 9.402 1.941 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.734 10.227 4.205 1.00 0.00 H new ATOM 768 N ASN A 51 -14.370 2.882 4.167 1.00 0.00 N ATOM 769 CA ASN A 51 -14.162 1.449 3.992 1.00 0.00 C ATOM 770 C ASN A 51 -13.477 1.157 2.660 1.00 0.00 C ATOM 771 O ASN A 51 -13.276 2.057 1.845 1.00 0.00 O ATOM 772 CB ASN A 51 -15.497 0.706 4.066 1.00 0.00 C ATOM 773 CG ASN A 51 -16.638 1.505 3.467 1.00 0.00 C ATOM 774 OD1 ASN A 51 -16.488 1.897 2.207 1.00 0.00 O flip ATOM 775 ND2 ASN A 51 -17.642 1.767 4.129 1.00 0.00 N flip ATOM 0 H ASN A 51 -15.115 3.273 3.591 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.515 1.100 4.797 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -15.409 -0.246 3.542 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.725 0.477 5.107 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -17.715 1.445 5.094 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.401 2.306 3.712 1.00 0.00 H new ATOM 782 N GLU A 52 -13.123 -0.106 2.447 1.00 0.00 N ATOM 783 CA GLU A 52 -12.462 -0.516 1.214 1.00 0.00 C ATOM 784 C GLU A 52 -13.242 -0.037 -0.007 1.00 0.00 C ATOM 785 O GLU A 52 -12.660 0.449 -0.977 1.00 0.00 O ATOM 786 CB GLU A 52 -12.310 -2.038 1.172 1.00 0.00 C ATOM 787 CG GLU A 52 -11.295 -2.576 2.167 1.00 0.00 C ATOM 788 CD GLU A 52 -11.497 -4.049 2.466 1.00 0.00 C ATOM 789 OE1 GLU A 52 -12.623 -4.428 2.849 1.00 0.00 O ATOM 790 OE2 GLU A 52 -10.527 -4.822 2.318 1.00 0.00 O ATOM 0 H GLU A 52 -13.283 -0.863 3.112 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.473 -0.059 1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.279 -2.497 1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.015 -2.338 0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.290 -2.423 1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.364 -2.008 3.095 1.00 0.00 H new ATOM 797 N PHE A 53 -14.562 -0.179 0.049 1.00 0.00 N ATOM 798 CA PHE A 53 -15.422 0.236 -1.052 1.00 0.00 C ATOM 799 C PHE A 53 -14.936 1.550 -1.657 1.00 0.00 C ATOM 800 O PHE A 53 -14.657 1.630 -2.852 1.00 0.00 O ATOM 801 CB PHE A 53 -16.866 0.388 -0.570 1.00 0.00 C ATOM 802 CG PHE A 53 -17.871 0.418 -1.686 1.00 0.00 C ATOM 803 CD1 PHE A 53 -18.182 -0.736 -2.387 1.00 0.00 C ATOM 804 CD2 PHE A 53 -18.506 1.600 -2.033 1.00 0.00 C ATOM 805 CE1 PHE A 53 -19.106 -0.711 -3.415 1.00 0.00 C ATOM 806 CE2 PHE A 53 -19.431 1.631 -3.060 1.00 0.00 C ATOM 807 CZ PHE A 53 -19.732 0.474 -3.751 1.00 0.00 C ATOM 0 H PHE A 53 -15.059 -0.578 0.845 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.382 -0.535 -1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -17.105 -0.437 0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -16.952 1.307 0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -17.697 -1.665 -2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.276 2.508 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -19.338 -1.617 -3.955 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -19.918 2.559 -3.322 1.00 0.00 H new ATOM 0 HZ PHE A 53 -20.455 0.495 -4.553 1.00 0.00 H new ATOM 817 N ASN A 54 -14.837 2.579 -0.821 1.00 0.00 N ATOM 818 CA ASN A 54 -14.385 3.890 -1.272 1.00 0.00 C ATOM 819 C ASN A 54 -12.886 4.058 -1.042 1.00 0.00 C ATOM 820 O ASN A 54 -12.441 5.067 -0.495 1.00 0.00 O ATOM 821 CB ASN A 54 -15.151 4.995 -0.543 1.00 0.00 C ATOM 822 CG ASN A 54 -15.247 6.268 -1.360 1.00 0.00 C ATOM 823 OD1 ASN A 54 -14.249 6.754 -1.893 1.00 0.00 O ATOM 824 ND2 ASN A 54 -16.453 6.816 -1.463 1.00 0.00 N ATOM 0 H ASN A 54 -15.064 2.530 0.172 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.581 3.966 -2.342 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.155 4.642 -0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.657 5.211 0.405 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.579 7.674 -2.000 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -17.253 6.379 -1.005 1.00 0.00 H new ATOM 831 N SER A 55 -12.113 3.062 -1.464 1.00 0.00 N ATOM 832 CA SER A 55 -10.664 3.098 -1.301 1.00 0.00 C ATOM 833 C SER A 55 -9.973 3.342 -2.639 1.00 0.00 C ATOM 834 O SER A 55 -10.556 3.123 -3.701 1.00 0.00 O ATOM 835 CB SER A 55 -10.166 1.787 -0.689 1.00 0.00 C ATOM 836 OG SER A 55 -10.245 0.725 -1.624 1.00 0.00 O ATOM 0 H SER A 55 -12.466 2.221 -1.921 1.00 0.00 H new ATOM 0 HA SER A 55 -10.419 3.921 -0.629 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.135 1.906 -0.356 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.760 1.545 0.192 1.00 0.00 H new ATOM 0 HG SER A 55 -11.081 0.232 -1.490 1.00 0.00 H new ATOM 842 N SER A 56 -8.726 3.798 -2.579 1.00 0.00 N ATOM 843 CA SER A 56 -7.955 4.077 -3.785 1.00 0.00 C ATOM 844 C SER A 56 -6.796 3.095 -3.928 1.00 0.00 C ATOM 845 O SER A 56 -6.255 2.609 -2.935 1.00 0.00 O ATOM 846 CB SER A 56 -7.423 5.511 -3.756 1.00 0.00 C ATOM 847 OG SER A 56 -8.421 6.433 -4.160 1.00 0.00 O ATOM 0 H SER A 56 -8.228 3.982 -1.708 1.00 0.00 H new ATOM 0 HA SER A 56 -8.616 3.960 -4.644 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.083 5.756 -2.750 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.558 5.595 -4.414 1.00 0.00 H new ATOM 0 HG SER A 56 -8.057 7.342 -4.131 1.00 0.00 H new ATOM 853 N MET A 57 -6.421 2.809 -5.170 1.00 0.00 N ATOM 854 CA MET A 57 -5.325 1.887 -5.444 1.00 0.00 C ATOM 855 C MET A 57 -4.273 2.541 -6.333 1.00 0.00 C ATOM 856 O MET A 57 -4.603 3.245 -7.287 1.00 0.00 O ATOM 857 CB MET A 57 -5.854 0.616 -6.111 1.00 0.00 C ATOM 858 CG MET A 57 -6.752 -0.215 -5.209 1.00 0.00 C ATOM 859 SD MET A 57 -7.671 -1.475 -6.114 1.00 0.00 S ATOM 860 CE MET A 57 -6.573 -2.880 -5.948 1.00 0.00 C ATOM 0 H MET A 57 -6.860 3.202 -6.003 1.00 0.00 H new ATOM 0 HA MET A 57 -4.859 1.624 -4.494 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.408 0.890 -7.009 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.010 0.005 -6.432 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.145 -0.695 -4.441 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.454 0.443 -4.696 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.159 -3.798 -5.916 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.893 -2.913 -6.799 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.997 -2.785 -5.027 1.00 0.00 H new ATOM 870 N ALA A 58 -3.004 2.304 -6.015 1.00 0.00 N ATOM 871 CA ALA A 58 -1.904 2.869 -6.786 1.00 0.00 C ATOM 872 C ALA A 58 -0.859 1.807 -7.110 1.00 0.00 C ATOM 873 O ALA A 58 -0.586 0.923 -6.298 1.00 0.00 O ATOM 874 CB ALA A 58 -1.268 4.025 -6.029 1.00 0.00 C ATOM 0 H ALA A 58 -2.713 1.724 -5.228 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.307 3.244 -7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.448 4.437 -6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.014 4.800 -5.854 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.885 3.667 -5.073 1.00 0.00 H new ATOM 880 N ARG A 59 -0.278 1.901 -8.302 1.00 0.00 N ATOM 881 CA ARG A 59 0.737 0.946 -8.734 1.00 0.00 C ATOM 882 C ARG A 59 2.139 1.502 -8.503 1.00 0.00 C ATOM 883 O ARG A 59 2.372 2.703 -8.640 1.00 0.00 O ATOM 884 CB ARG A 59 0.549 0.605 -10.213 1.00 0.00 C ATOM 885 CG ARG A 59 -0.397 -0.560 -10.454 1.00 0.00 C ATOM 886 CD ARG A 59 -0.751 -0.695 -11.927 1.00 0.00 C ATOM 887 NE ARG A 59 -1.448 0.485 -12.432 1.00 0.00 N ATOM 888 CZ ARG A 59 -1.857 0.615 -13.689 1.00 0.00 C ATOM 889 NH1 ARG A 59 -1.641 -0.358 -14.564 1.00 0.00 N ATOM 890 NH2 ARG A 59 -2.485 1.719 -14.073 1.00 0.00 N ATOM 0 H ARG A 59 -0.492 2.628 -8.985 1.00 0.00 H new ATOM 0 HA ARG A 59 0.623 0.038 -8.141 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.170 1.484 -10.734 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.520 0.370 -10.649 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.064 -1.483 -10.104 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.307 -0.417 -9.872 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.159 -0.854 -12.506 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.378 -1.575 -12.070 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.631 1.251 -11.784 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.160 -1.209 -14.272 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.956 -0.256 -15.529 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.654 2.469 -13.403 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.799 1.818 -15.039 1.00 0.00 H new ATOM 904 N SER A 60 3.069 0.620 -8.150 1.00 0.00 N ATOM 905 CA SER A 60 4.447 1.022 -7.896 1.00 0.00 C ATOM 906 C SER A 60 5.425 0.081 -8.593 1.00 0.00 C ATOM 907 O SER A 60 5.177 -1.119 -8.700 1.00 0.00 O ATOM 908 CB SER A 60 4.725 1.042 -6.392 1.00 0.00 C ATOM 909 OG SER A 60 5.983 1.632 -6.114 1.00 0.00 O ATOM 0 H SER A 60 2.893 -0.378 -8.033 1.00 0.00 H new ATOM 0 HA SER A 60 4.587 2.026 -8.298 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.938 1.597 -5.881 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.703 0.025 -6.001 1.00 0.00 H new ATOM 0 HG SER A 60 6.595 0.950 -5.767 1.00 0.00 H new ATOM 915 N GLN A 61 6.537 0.637 -9.064 1.00 0.00 N ATOM 916 CA GLN A 61 7.552 -0.152 -9.752 1.00 0.00 C ATOM 917 C GLN A 61 8.652 -0.584 -8.787 1.00 0.00 C ATOM 918 O GLN A 61 9.770 -0.894 -9.201 1.00 0.00 O ATOM 919 CB GLN A 61 8.156 0.650 -10.906 1.00 0.00 C ATOM 920 CG GLN A 61 7.187 0.890 -12.053 1.00 0.00 C ATOM 921 CD GLN A 61 7.893 1.149 -13.369 1.00 0.00 C ATOM 922 OE1 GLN A 61 9.112 1.012 -13.470 1.00 0.00 O ATOM 923 NE2 GLN A 61 7.128 1.528 -14.386 1.00 0.00 N ATOM 0 H GLN A 61 6.758 1.629 -8.982 1.00 0.00 H new ATOM 0 HA GLN A 61 7.073 -1.046 -10.152 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.503 1.611 -10.527 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.031 0.122 -11.285 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.534 0.023 -12.160 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.550 1.741 -11.813 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.121 1.629 -14.257 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.547 1.718 -15.296 1.00 0.00 H new ATOM 932 N THR A 62 8.328 -0.601 -7.498 1.00 0.00 N ATOM 933 CA THR A 62 9.288 -0.993 -6.474 1.00 0.00 C ATOM 934 C THR A 62 8.590 -1.299 -5.154 1.00 0.00 C ATOM 935 O THR A 62 7.386 -1.084 -5.013 1.00 0.00 O ATOM 936 CB THR A 62 10.342 0.106 -6.242 1.00 0.00 C ATOM 937 OG1 THR A 62 11.014 -0.115 -4.997 1.00 0.00 O ATOM 938 CG2 THR A 62 9.695 1.483 -6.237 1.00 0.00 C ATOM 0 H THR A 62 7.408 -0.348 -7.138 1.00 0.00 H new ATOM 0 HA THR A 62 9.786 -1.893 -6.835 1.00 0.00 H new ATOM 0 HB THR A 62 11.065 0.064 -7.057 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.930 0.228 -5.055 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.458 2.243 -6.072 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.209 1.660 -7.196 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.954 1.534 -5.440 1.00 0.00 H new ATOM 946 N ASN A 63 9.353 -1.800 -4.188 1.00 0.00 N ATOM 947 CA ASN A 63 8.806 -2.135 -2.878 1.00 0.00 C ATOM 948 C ASN A 63 8.599 -0.879 -2.038 1.00 0.00 C ATOM 949 O ASN A 63 8.271 -0.957 -0.853 1.00 0.00 O ATOM 950 CB ASN A 63 9.738 -3.104 -2.146 1.00 0.00 C ATOM 951 CG ASN A 63 9.399 -4.555 -2.428 1.00 0.00 C ATOM 952 OD1 ASN A 63 9.483 -5.015 -3.567 1.00 0.00 O ATOM 953 ND2 ASN A 63 9.012 -5.285 -1.387 1.00 0.00 N ATOM 0 H ASN A 63 10.352 -1.983 -4.288 1.00 0.00 H new ATOM 0 HA ASN A 63 7.839 -2.614 -3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.768 -2.909 -2.445 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.678 -2.921 -1.073 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.770 -6.268 -1.515 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.957 -4.863 -0.460 1.00 0.00 H new ATOM 960 N THR A 64 8.793 0.280 -2.659 1.00 0.00 N ATOM 961 CA THR A 64 8.628 1.554 -1.969 1.00 0.00 C ATOM 962 C THR A 64 7.697 2.481 -2.741 1.00 0.00 C ATOM 963 O THR A 64 7.952 2.808 -3.900 1.00 0.00 O ATOM 964 CB THR A 64 9.981 2.260 -1.762 1.00 0.00 C ATOM 965 OG1 THR A 64 9.779 3.534 -1.141 1.00 0.00 O ATOM 966 CG2 THR A 64 10.704 2.445 -3.088 1.00 0.00 C ATOM 0 H THR A 64 9.065 0.363 -3.639 1.00 0.00 H new ATOM 0 HA THR A 64 8.190 1.332 -0.996 1.00 0.00 H new ATOM 0 HB THR A 64 10.597 1.635 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.644 3.976 -1.012 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.657 2.946 -2.916 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.883 1.471 -3.544 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.091 3.051 -3.755 1.00 0.00 H new ATOM 974 N ALA A 65 6.617 2.902 -2.092 1.00 0.00 N ATOM 975 CA ALA A 65 5.649 3.795 -2.718 1.00 0.00 C ATOM 976 C ALA A 65 5.129 4.826 -1.722 1.00 0.00 C ATOM 977 O ALA A 65 4.842 4.500 -0.569 1.00 0.00 O ATOM 978 CB ALA A 65 4.495 2.995 -3.303 1.00 0.00 C ATOM 0 H ALA A 65 6.390 2.639 -1.133 1.00 0.00 H new ATOM 0 HA ALA A 65 6.152 4.329 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.780 3.674 -3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.876 2.302 -4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.001 2.435 -2.509 1.00 0.00 H new ATOM 984 N ARG A 66 5.009 6.070 -2.173 1.00 0.00 N ATOM 985 CA ARG A 66 4.525 7.149 -1.320 1.00 0.00 C ATOM 986 C ARG A 66 3.141 7.613 -1.764 1.00 0.00 C ATOM 987 O ARG A 66 2.907 7.855 -2.948 1.00 0.00 O ATOM 988 CB ARG A 66 5.503 8.326 -1.346 1.00 0.00 C ATOM 989 CG ARG A 66 5.013 9.541 -0.577 1.00 0.00 C ATOM 990 CD ARG A 66 5.624 10.825 -1.115 1.00 0.00 C ATOM 991 NE ARG A 66 6.905 11.128 -0.482 1.00 0.00 N ATOM 992 CZ ARG A 66 7.679 12.147 -0.840 1.00 0.00 C ATOM 993 NH1 ARG A 66 7.303 12.957 -1.820 1.00 0.00 N ATOM 994 NH2 ARG A 66 8.831 12.359 -0.216 1.00 0.00 N ATOM 0 H ARG A 66 5.240 6.356 -3.124 1.00 0.00 H new ATOM 0 HA ARG A 66 4.452 6.769 -0.301 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.457 8.004 -0.930 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.687 8.612 -2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.926 9.599 -0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.265 9.431 0.478 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.764 10.736 -2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.933 11.652 -0.950 1.00 0.00 H new ATOM 0 HE ARG A 66 7.223 10.524 0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.418 12.799 -2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.899 13.738 -2.093 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.123 11.739 0.540 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.424 13.142 -0.492 1.00 0.00 H new ATOM 1008 N ILE A 67 2.228 7.735 -0.806 1.00 0.00 N ATOM 1009 CA ILE A 67 0.869 8.170 -1.098 1.00 0.00 C ATOM 1010 C ILE A 67 0.735 9.683 -0.963 1.00 0.00 C ATOM 1011 O ILE A 67 1.007 10.249 0.096 1.00 0.00 O ATOM 1012 CB ILE A 67 -0.153 7.491 -0.167 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.204 6.015 0.027 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.559 7.632 -0.730 1.00 0.00 C ATOM 1015 CD1 ILE A 67 0.199 5.219 -1.259 1.00 0.00 C ATOM 0 H ILE A 67 2.406 7.538 0.179 1.00 0.00 H new ATOM 0 HA ILE A 67 0.660 7.879 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.121 7.984 0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.191 5.945 0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.503 5.567 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.269 7.147 -0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.810 8.689 -0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.607 7.161 -1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.461 4.182 -1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.794 5.258 -1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.927 5.642 -1.952 1.00 0.00 H new ATOM 1027 N ASP A 68 0.313 10.333 -2.042 1.00 0.00 N ATOM 1028 CA ASP A 68 0.140 11.781 -2.044 1.00 0.00 C ATOM 1029 C ASP A 68 -1.323 12.153 -2.267 1.00 0.00 C ATOM 1030 O ASP A 68 -2.027 11.507 -3.042 1.00 0.00 O ATOM 1031 CB ASP A 68 1.012 12.419 -3.125 1.00 0.00 C ATOM 1032 CG ASP A 68 2.417 12.715 -2.637 1.00 0.00 C ATOM 1033 OD1 ASP A 68 3.112 11.766 -2.219 1.00 0.00 O ATOM 1034 OD2 ASP A 68 2.820 13.896 -2.673 1.00 0.00 O ATOM 0 H ASP A 68 0.084 9.880 -2.927 1.00 0.00 H new ATOM 0 HA ASP A 68 0.448 12.160 -1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.063 11.753 -3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.546 13.344 -3.464 1.00 0.00 H new ATOM 1039 N GLY A 69 -1.773 13.200 -1.581 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.150 13.639 -1.718 1.00 0.00 C ATOM 1041 C GLY A 69 -3.968 13.380 -0.468 1.00 0.00 C ATOM 1042 O GLY A 69 -5.139 13.008 -0.550 1.00 0.00 O ATOM 0 H GLY A 69 -1.209 13.751 -0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.167 14.705 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.610 13.125 -2.562 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.351 13.575 0.692 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.029 13.359 1.965 1.00 0.00 C ATOM 1048 C LEU A 70 -4.056 14.640 2.792 1.00 0.00 C ATOM 1049 O LEU A 70 -3.490 15.659 2.396 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.335 12.245 2.752 1.00 0.00 C ATOM 1051 CG LEU A 70 -2.928 11.009 1.949 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -1.934 10.167 2.733 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -4.153 10.186 1.580 1.00 0.00 C ATOM 0 H LEU A 70 -2.382 13.882 0.777 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.057 13.062 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.442 12.660 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.999 11.928 3.557 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.446 11.339 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.656 9.292 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.044 10.759 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.389 9.846 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.845 9.310 1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.663 9.865 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.830 10.792 0.978 1.00 0.00 H new ATOM 1065 N ARG A 71 -4.717 14.581 3.944 1.00 0.00 N ATOM 1066 CA ARG A 71 -4.818 15.736 4.827 1.00 0.00 C ATOM 1067 C ARG A 71 -3.928 15.561 6.054 1.00 0.00 C ATOM 1068 O ARG A 71 -3.659 14.447 6.502 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.269 15.948 5.262 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.111 16.688 4.236 1.00 0.00 C ATOM 1071 CD ARG A 71 -8.437 17.142 4.827 1.00 0.00 C ATOM 1072 NE ARG A 71 -9.298 17.764 3.824 1.00 0.00 N ATOM 1073 CZ ARG A 71 -10.601 17.956 3.993 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -11.191 17.578 5.118 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -11.318 18.529 3.034 1.00 0.00 N ATOM 0 H ARG A 71 -5.190 13.745 4.287 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.480 16.614 4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.725 14.978 5.462 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.281 16.505 6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.560 17.553 3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.296 16.040 3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.951 16.286 5.265 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.251 17.850 5.634 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.875 18.067 2.947 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.644 17.138 5.858 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.192 17.727 5.244 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.868 18.822 2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.319 18.676 3.164 1.00 0.00 H new ATOM 1089 N PRO A 72 -3.459 16.688 6.611 1.00 0.00 N ATOM 1090 CA PRO A 72 -2.592 16.685 7.793 1.00 0.00 C ATOM 1091 C PRO A 72 -3.333 16.255 9.054 1.00 0.00 C ATOM 1092 O PRO A 72 -4.467 16.669 9.292 1.00 0.00 O ATOM 1093 CB PRO A 72 -2.144 18.145 7.908 1.00 0.00 C ATOM 1094 CG PRO A 72 -3.222 18.925 7.238 1.00 0.00 C ATOM 1095 CD PRO A 72 -3.739 18.051 6.129 1.00 0.00 C ATOM 0 HA PRO A 72 -1.768 15.978 7.692 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.029 18.443 8.950 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.181 18.303 7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.017 19.175 7.941 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.836 19.866 6.846 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.804 18.206 5.958 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.232 18.256 5.186 1.00 0.00 H new ATOM 1103 N GLY A 73 -2.684 15.420 9.861 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.298 14.947 11.088 1.00 0.00 C ATOM 1105 C GLY A 73 -4.434 13.977 10.832 1.00 0.00 C ATOM 1106 O GLY A 73 -5.496 14.079 11.446 1.00 0.00 O ATOM 0 H GLY A 73 -1.745 15.063 9.687 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.542 14.461 11.705 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.673 15.799 11.655 1.00 0.00 H new ATOM 1110 N MET A 74 -4.211 13.034 9.922 1.00 0.00 N ATOM 1111 CA MET A 74 -5.226 12.042 9.586 1.00 0.00 C ATOM 1112 C MET A 74 -4.610 10.651 9.477 1.00 0.00 C ATOM 1113 O MET A 74 -3.477 10.497 9.021 1.00 0.00 O ATOM 1114 CB MET A 74 -5.916 12.412 8.272 1.00 0.00 C ATOM 1115 CG MET A 74 -7.108 13.339 8.451 1.00 0.00 C ATOM 1116 SD MET A 74 -8.357 12.657 9.558 1.00 0.00 S ATOM 1117 CE MET A 74 -9.151 11.466 8.481 1.00 0.00 C ATOM 0 H MET A 74 -3.337 12.936 9.405 1.00 0.00 H new ATOM 0 HA MET A 74 -5.967 12.031 10.386 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.191 12.889 7.612 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.247 11.500 7.776 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.764 14.296 8.843 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.559 13.537 7.479 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.949 10.960 9.024 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.570 11.980 7.616 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.418 10.732 8.147 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.364 9.640 9.898 1.00 0.00 N ATOM 1128 CA VAL A 75 -4.893 8.261 9.846 1.00 0.00 C ATOM 1129 C VAL A 75 -5.391 7.557 8.590 1.00 0.00 C ATOM 1130 O VAL A 75 -6.569 7.644 8.242 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.349 7.465 11.083 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -4.692 6.094 11.108 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -5.038 8.237 12.357 1.00 0.00 C ATOM 0 H VAL A 75 -6.304 9.750 10.279 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.804 8.299 9.829 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.428 7.323 11.025 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.026 5.546 11.989 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.969 5.541 10.210 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.609 6.210 11.142 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.367 7.660 13.221 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.964 8.411 12.424 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.560 9.194 12.339 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.488 6.858 7.912 1.00 0.00 N ATOM 1144 CA TYR A 76 -4.835 6.139 6.692 1.00 0.00 C ATOM 1145 C TYR A 76 -4.274 4.720 6.717 1.00 0.00 C ATOM 1146 O TYR A 76 -3.084 4.515 6.957 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.308 6.886 5.467 1.00 0.00 C ATOM 1148 CG TYR A 76 -4.876 8.280 5.317 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -4.284 9.365 5.951 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -6.005 8.511 4.540 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -4.800 10.639 5.817 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -6.527 9.782 4.399 1.00 0.00 C ATOM 1153 CZ TYR A 76 -5.921 10.843 5.040 1.00 0.00 C ATOM 1154 OH TYR A 76 -6.438 12.111 4.903 1.00 0.00 O ATOM 0 H TYR A 76 -3.509 6.774 8.187 1.00 0.00 H new ATOM 0 HA TYR A 76 -5.922 6.080 6.633 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.222 6.950 5.531 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.541 6.309 4.572 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.405 9.210 6.559 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.482 7.682 4.038 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.328 11.471 6.318 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.404 9.944 3.791 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.227 12.082 4.322 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.140 3.743 6.466 1.00 0.00 N ATOM 1165 CA VAL A 77 -4.732 2.344 6.458 1.00 0.00 C ATOM 1166 C VAL A 77 -4.249 1.920 5.075 1.00 0.00 C ATOM 1167 O VAL A 77 -5.051 1.617 4.191 1.00 0.00 O ATOM 1168 CB VAL A 77 -5.886 1.420 6.892 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.420 -0.027 6.945 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.442 1.860 8.238 1.00 0.00 C ATOM 0 H VAL A 77 -6.128 3.895 6.266 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.913 2.249 7.171 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.685 1.492 6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.248 -0.665 7.253 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.073 -0.334 5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.604 -0.120 7.661 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.256 1.197 8.530 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.653 1.818 8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.816 2.881 8.161 1.00 0.00 H new ATOM 1180 N VAL A 78 -2.932 1.901 4.894 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.342 1.513 3.619 1.00 0.00 C ATOM 1182 C VAL A 78 -1.887 0.058 3.644 1.00 0.00 C ATOM 1183 O VAL A 78 -1.459 -0.450 4.680 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.141 2.409 3.261 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.612 2.066 1.876 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.529 3.877 3.344 1.00 0.00 C ATOM 0 H VAL A 78 -2.254 2.150 5.614 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.116 1.635 2.861 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.345 2.226 3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.236 2.709 1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.293 1.024 1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.399 2.219 1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.669 4.496 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.342 4.079 2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.855 4.110 4.358 1.00 0.00 H new ATOM 1196 N GLN A 79 -1.981 -0.605 2.496 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.580 -2.003 2.387 1.00 0.00 C ATOM 1198 C GLN A 79 -0.768 -2.238 1.117 1.00 0.00 C ATOM 1199 O GLN A 79 -0.651 -1.353 0.270 1.00 0.00 O ATOM 1200 CB GLN A 79 -2.810 -2.911 2.396 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.295 -3.265 3.793 1.00 0.00 C ATOM 1202 CD GLN A 79 -4.750 -3.691 3.816 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -4.986 -4.981 4.023 1.00 0.00 O flip ATOM 1204 NE2 GLN A 79 -5.651 -2.869 3.648 1.00 0.00 N flip ATOM 0 H GLN A 79 -2.331 -0.197 1.629 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.954 -2.244 3.247 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.618 -2.420 1.854 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.577 -3.830 1.858 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.679 -4.069 4.194 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.162 -2.404 4.448 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.423 -1.887 3.492 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.625 -3.170 3.665 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.210 -3.438 0.991 1.00 0.00 N ATOM 1214 CA VAL A 80 0.590 -3.790 -0.176 1.00 0.00 C ATOM 1215 C VAL A 80 0.497 -5.282 -0.475 1.00 0.00 C ATOM 1216 O VAL A 80 0.484 -6.109 0.436 1.00 0.00 O ATOM 1217 CB VAL A 80 2.069 -3.409 0.021 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.761 -4.407 0.936 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.779 -3.321 -1.321 1.00 0.00 C ATOM 0 H VAL A 80 -0.297 -4.183 1.683 1.00 0.00 H new ATOM 0 HA VAL A 80 0.187 -3.227 -1.018 1.00 0.00 H new ATOM 0 HB VAL A 80 2.114 -2.428 0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.805 -4.121 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.266 -4.414 1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.709 -5.402 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.823 -3.051 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.726 -4.286 -1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.297 -2.563 -1.938 1.00 0.00 H new ATOM 1229 N ARG A 81 0.433 -5.620 -1.759 1.00 0.00 N ATOM 1230 CA ARG A 81 0.340 -7.013 -2.180 1.00 0.00 C ATOM 1231 C ARG A 81 1.339 -7.312 -3.294 1.00 0.00 C ATOM 1232 O ARG A 81 1.889 -6.399 -3.909 1.00 0.00 O ATOM 1233 CB ARG A 81 -1.079 -7.331 -2.653 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.515 -6.518 -3.861 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.606 -7.229 -4.646 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.394 -6.300 -5.452 1.00 0.00 N ATOM 1237 CZ ARG A 81 -4.618 -6.566 -5.895 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -5.191 -7.728 -5.612 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -5.272 -5.669 -6.622 1.00 0.00 N ATOM 0 H ARG A 81 0.444 -4.948 -2.526 1.00 0.00 H new ATOM 0 HA ARG A 81 0.579 -7.643 -1.323 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.142 -8.391 -2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.775 -7.150 -1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.877 -5.543 -3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.657 -6.338 -4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.155 -7.980 -5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.263 -7.758 -3.956 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.982 -5.397 -5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.692 -8.420 -5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.131 -7.930 -5.953 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.835 -4.774 -6.841 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.212 -5.875 -6.961 1.00 0.00 H new ATOM 1253 N ALA A 82 1.568 -8.596 -3.547 1.00 0.00 N ATOM 1254 CA ALA A 82 2.499 -9.015 -4.588 1.00 0.00 C ATOM 1255 C ALA A 82 1.756 -9.578 -5.795 1.00 0.00 C ATOM 1256 O ALA A 82 1.019 -10.558 -5.681 1.00 0.00 O ATOM 1257 CB ALA A 82 3.475 -10.045 -4.039 1.00 0.00 C ATOM 0 H ALA A 82 1.122 -9.364 -3.046 1.00 0.00 H new ATOM 0 HA ALA A 82 3.058 -8.139 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.164 -10.349 -4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.037 -9.609 -3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.924 -10.915 -3.683 1.00 0.00 H new ATOM 1263 N ARG A 83 1.953 -8.952 -6.950 1.00 0.00 N ATOM 1264 CA ARG A 83 1.300 -9.389 -8.178 1.00 0.00 C ATOM 1265 C ARG A 83 2.304 -10.038 -9.126 1.00 0.00 C ATOM 1266 O ARG A 83 3.425 -9.555 -9.288 1.00 0.00 O ATOM 1267 CB ARG A 83 0.621 -8.206 -8.869 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.159 -8.594 -10.115 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.251 -7.437 -11.098 1.00 0.00 C ATOM 1270 NE ARG A 83 -0.335 -7.899 -12.480 1.00 0.00 N ATOM 1271 CZ ARG A 83 -0.036 -7.140 -13.528 1.00 0.00 C ATOM 1272 NH1 ARG A 83 0.366 -5.889 -13.352 1.00 0.00 N ATOM 1273 NH2 ARG A 83 -0.137 -7.632 -14.756 1.00 0.00 N ATOM 0 H ARG A 83 2.560 -8.140 -7.061 1.00 0.00 H new ATOM 0 HA ARG A 83 0.544 -10.129 -7.914 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.055 -7.723 -8.163 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.379 -7.470 -9.139 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.323 -9.445 -10.597 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.162 -8.914 -9.833 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.127 -6.832 -10.864 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.621 -6.794 -10.983 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.640 -8.857 -12.650 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.446 -5.507 -12.410 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.595 -5.309 -14.159 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.445 -8.594 -14.896 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.093 -7.048 -15.560 1.00 0.00 H new ATOM 1287 N THR A 84 1.895 -11.138 -9.751 1.00 0.00 N ATOM 1288 CA THR A 84 2.758 -11.855 -10.681 1.00 0.00 C ATOM 1289 C THR A 84 1.981 -12.311 -11.911 1.00 0.00 C ATOM 1290 O THR A 84 0.755 -12.209 -11.957 1.00 0.00 O ATOM 1291 CB THR A 84 3.407 -13.082 -10.014 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.394 -13.977 -9.543 1.00 0.00 O ATOM 1293 CG2 THR A 84 4.296 -12.659 -8.854 1.00 0.00 C ATOM 0 H THR A 84 0.971 -11.552 -9.630 1.00 0.00 H new ATOM 0 HA THR A 84 3.541 -11.160 -10.985 1.00 0.00 H new ATOM 0 HB THR A 84 4.022 -13.589 -10.757 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.815 -14.755 -9.122 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.744 -13.542 -8.398 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.084 -12.001 -9.221 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.698 -12.131 -8.111 1.00 0.00 H new ATOM 1301 N VAL A 85 2.702 -12.817 -12.907 1.00 0.00 N ATOM 1302 CA VAL A 85 2.080 -13.292 -14.137 1.00 0.00 C ATOM 1303 C VAL A 85 0.963 -14.285 -13.840 1.00 0.00 C ATOM 1304 O VAL A 85 0.097 -14.530 -14.680 1.00 0.00 O ATOM 1305 CB VAL A 85 3.112 -13.959 -15.066 1.00 0.00 C ATOM 1306 CG1 VAL A 85 3.488 -15.337 -14.545 1.00 0.00 C ATOM 1307 CG2 VAL A 85 2.572 -14.046 -16.486 1.00 0.00 C ATOM 0 H VAL A 85 3.718 -12.908 -12.886 1.00 0.00 H new ATOM 0 HA VAL A 85 1.662 -12.419 -14.638 1.00 0.00 H new ATOM 0 HB VAL A 85 4.012 -13.345 -15.081 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.218 -15.792 -15.214 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.919 -15.244 -13.548 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.598 -15.964 -14.499 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.314 -14.520 -17.129 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.656 -14.637 -16.491 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.358 -13.043 -16.856 1.00 0.00 H new ATOM 1317 N ALA A 86 0.988 -14.855 -12.640 1.00 0.00 N ATOM 1318 CA ALA A 86 -0.024 -15.820 -12.230 1.00 0.00 C ATOM 1319 C ALA A 86 -1.298 -15.118 -11.771 1.00 0.00 C ATOM 1320 O ALA A 86 -2.402 -15.495 -12.163 1.00 0.00 O ATOM 1321 CB ALA A 86 0.516 -16.714 -11.125 1.00 0.00 C ATOM 0 H ALA A 86 1.699 -14.665 -11.934 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.272 -16.438 -13.093 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.251 -17.430 -10.829 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.393 -17.251 -11.487 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.794 -16.103 -10.266 1.00 0.00 H new ATOM 1327 N GLY A 87 -1.137 -14.095 -10.937 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.283 -13.358 -10.438 1.00 0.00 C ATOM 1329 C GLY A 87 -1.910 -12.380 -9.341 1.00 0.00 C ATOM 1330 O GLY A 87 -0.761 -11.947 -9.250 1.00 0.00 O ATOM 0 H GLY A 87 -0.234 -13.764 -10.598 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.749 -12.816 -11.261 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.025 -14.060 -10.058 1.00 0.00 H new ATOM 1334 N TYR A 88 -2.883 -12.030 -8.507 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.652 -11.094 -7.413 1.00 0.00 C ATOM 1336 C TYR A 88 -2.541 -11.830 -6.081 1.00 0.00 C ATOM 1337 O TYR A 88 -3.339 -12.716 -5.780 1.00 0.00 O ATOM 1338 CB TYR A 88 -3.782 -10.065 -7.347 1.00 0.00 C ATOM 1339 CG TYR A 88 -3.686 -8.993 -8.409 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -2.908 -7.859 -8.211 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -4.373 -9.114 -9.610 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -2.818 -6.876 -9.177 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -4.289 -8.137 -10.583 1.00 0.00 C ATOM 1344 CZ TYR A 88 -3.510 -7.020 -10.362 1.00 0.00 C ATOM 1345 OH TYR A 88 -3.423 -6.043 -11.328 1.00 0.00 O ATOM 0 H TYR A 88 -3.839 -12.380 -8.568 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.711 -10.578 -7.602 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.737 -10.580 -7.447 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.776 -9.593 -6.364 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.364 -7.744 -7.285 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -4.984 -9.987 -9.786 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.210 -6.000 -9.006 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.830 -8.247 -11.511 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.969 -6.298 -12.101 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.543 -11.454 -5.286 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.345 -12.086 -3.995 1.00 0.00 C ATOM 1357 C GLY A 89 -2.099 -11.384 -2.883 1.00 0.00 C ATOM 1358 O GLY A 89 -2.575 -10.262 -3.057 1.00 0.00 O ATOM 0 H GLY A 89 -0.869 -10.723 -5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.669 -13.125 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.281 -12.096 -3.758 1.00 0.00 H new ATOM 1362 N LYS A 90 -2.211 -12.046 -1.737 1.00 0.00 N ATOM 1363 CA LYS A 90 -2.913 -11.480 -0.591 1.00 0.00 C ATOM 1364 C LYS A 90 -2.213 -10.220 -0.092 1.00 0.00 C ATOM 1365 O LYS A 90 -1.017 -10.032 -0.317 1.00 0.00 O ATOM 1366 CB LYS A 90 -3.001 -12.509 0.538 1.00 0.00 C ATOM 1367 CG LYS A 90 -3.880 -13.703 0.207 1.00 0.00 C ATOM 1368 CD LYS A 90 -3.995 -14.655 1.386 1.00 0.00 C ATOM 1369 CE LYS A 90 -4.924 -14.105 2.457 1.00 0.00 C ATOM 1370 NZ LYS A 90 -5.488 -15.188 3.310 1.00 0.00 N ATOM 0 H LYS A 90 -1.824 -12.976 -1.577 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.920 -11.212 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.997 -12.862 0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.387 -12.021 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.873 -13.357 -0.080 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.467 -14.233 -0.651 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.366 -15.620 1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.007 -14.828 1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.379 -13.397 3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.737 -13.554 1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.116 -14.773 4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.029 -15.850 2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.713 -15.698 3.781 1.00 0.00 H new ATOM 1384 N PHE A 91 -2.965 -9.361 0.588 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.416 -8.119 1.119 1.00 0.00 C ATOM 1386 C PHE A 91 -1.589 -8.383 2.374 1.00 0.00 C ATOM 1387 O PHE A 91 -1.740 -9.417 3.024 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.542 -7.133 1.435 1.00 0.00 C ATOM 1389 CG PHE A 91 -4.063 -6.410 0.226 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -3.236 -5.576 -0.509 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.380 -6.566 -0.176 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.714 -4.910 -1.622 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.863 -5.902 -1.288 1.00 0.00 C ATOM 1394 CZ PHE A 91 -5.028 -5.074 -2.013 1.00 0.00 C ATOM 0 H PHE A 91 -3.956 -9.502 0.784 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.765 -7.685 0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.363 -7.671 1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.181 -6.402 2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.207 -5.445 -0.209 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.037 -7.214 0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.060 -4.261 -2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.892 -6.030 -1.590 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.402 -4.556 -2.884 1.00 0.00 H new ATOM 1404 N SER A 92 -0.714 -7.440 2.708 1.00 0.00 N ATOM 1405 CA SER A 92 0.141 -7.571 3.882 1.00 0.00 C ATOM 1406 C SER A 92 -0.541 -6.993 5.118 1.00 0.00 C ATOM 1407 O SER A 92 -1.376 -6.095 5.017 1.00 0.00 O ATOM 1408 CB SER A 92 1.479 -6.867 3.647 1.00 0.00 C ATOM 1409 OG SER A 92 1.337 -5.460 3.736 1.00 0.00 O ATOM 0 H SER A 92 -0.578 -6.577 2.182 1.00 0.00 H new ATOM 0 HA SER A 92 0.323 -8.632 4.052 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.208 -7.209 4.382 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.867 -7.135 2.664 1.00 0.00 H new ATOM 0 HG SER A 92 2.174 -5.067 4.060 1.00 0.00 H new ATOM 1415 N GLY A 93 -0.178 -7.515 6.286 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.763 -7.039 7.526 1.00 0.00 C ATOM 1417 C GLY A 93 -1.033 -5.547 7.504 1.00 0.00 C ATOM 1418 O GLY A 93 -0.157 -4.746 7.832 1.00 0.00 O ATOM 0 H GLY A 93 0.511 -8.259 6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.696 -7.571 7.712 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.093 -7.272 8.353 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.247 -5.172 7.117 1.00 0.00 N ATOM 1423 CA LYS A 94 -2.630 -3.767 7.053 1.00 0.00 C ATOM 1424 C LYS A 94 -2.105 -3.004 8.265 1.00 0.00 C ATOM 1425 O LYS A 94 -2.052 -3.540 9.372 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.153 -3.635 6.975 1.00 0.00 C ATOM 1427 CG LYS A 94 -4.859 -3.958 8.281 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.289 -4.413 8.043 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.255 -3.238 8.039 1.00 0.00 C ATOM 1430 NZ LYS A 94 -7.338 -2.583 9.374 1.00 0.00 N ATOM 0 H LYS A 94 -2.983 -5.822 6.843 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.187 -3.337 6.155 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.406 -2.618 6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.527 -4.298 6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.311 -4.738 8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.858 -3.078 8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.351 -4.939 7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.580 -5.122 8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.935 -2.508 7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.245 -3.583 7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.262 -2.116 9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.229 -3.300 10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.581 -1.875 9.461 1.00 0.00 H new ATOM 1444 N MET A 95 -1.719 -1.751 8.048 1.00 0.00 N ATOM 1445 CA MET A 95 -1.201 -0.914 9.124 1.00 0.00 C ATOM 1446 C MET A 95 -1.833 0.473 9.087 1.00 0.00 C ATOM 1447 O MET A 95 -2.448 0.859 8.092 1.00 0.00 O ATOM 1448 CB MET A 95 0.321 -0.797 9.020 1.00 0.00 C ATOM 1449 CG MET A 95 0.982 -0.311 10.300 1.00 0.00 C ATOM 1450 SD MET A 95 2.774 -0.511 10.275 1.00 0.00 S ATOM 1451 CE MET A 95 2.915 -2.251 9.875 1.00 0.00 C ATOM 0 H MET A 95 -1.755 -1.293 7.137 1.00 0.00 H new ATOM 0 HA MET A 95 -1.458 -1.385 10.073 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.735 -1.770 8.754 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.570 -0.112 8.209 1.00 0.00 H new ATOM 0 HG2 MET A 95 0.740 0.741 10.453 1.00 0.00 H new ATOM 0 HG3 MET A 95 0.571 -0.859 11.148 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.874 -2.629 10.228 1.00 0.00 H new ATOM 0 HE2 MET A 95 2.108 -2.802 10.358 1.00 0.00 H new ATOM 0 HE3 MET A 95 2.848 -2.383 8.795 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.679 1.218 10.176 1.00 0.00 N ATOM 1462 CA CYS A 96 -2.237 2.563 10.268 1.00 0.00 C ATOM 1463 C CYS A 96 -1.129 3.611 10.272 1.00 0.00 C ATOM 1464 O CYS A 96 -0.308 3.660 11.188 1.00 0.00 O ATOM 1465 CB CYS A 96 -3.089 2.699 11.530 1.00 0.00 C ATOM 1466 SG CYS A 96 -2.170 2.465 13.070 1.00 0.00 S ATOM 0 H CYS A 96 -1.173 0.914 11.008 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.867 2.729 9.394 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -3.549 3.687 11.540 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -3.899 1.971 11.489 1.00 0.00 H new ATOM 0 HG CYS A 96 -0.929 2.807 12.891 1.00 0.00 H new ATOM 1472 N PHE A 97 -1.110 4.449 9.240 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.101 5.495 9.123 1.00 0.00 C ATOM 1474 C PHE A 97 -0.753 6.873 9.054 1.00 0.00 C ATOM 1475 O PHE A 97 -1.581 7.136 8.183 1.00 0.00 O ATOM 1476 CB PHE A 97 0.762 5.264 7.880 1.00 0.00 C ATOM 1477 CG PHE A 97 1.321 3.873 7.789 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.395 3.491 8.576 1.00 0.00 C ATOM 1479 CD2 PHE A 97 0.773 2.948 6.916 1.00 0.00 C ATOM 1480 CE1 PHE A 97 2.912 2.212 8.495 1.00 0.00 C ATOM 1481 CE2 PHE A 97 1.285 1.667 6.831 1.00 0.00 C ATOM 1482 CZ PHE A 97 2.357 1.299 7.620 1.00 0.00 C ATOM 0 H PHE A 97 -1.782 4.424 8.473 1.00 0.00 H new ATOM 0 HA PHE A 97 0.533 5.455 10.009 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.165 5.466 6.990 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.585 5.979 7.881 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.834 4.201 9.261 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.064 3.231 6.295 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.749 1.927 9.115 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.847 0.954 6.148 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.760 0.299 7.553 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.372 7.748 9.980 1.00 0.00 N ATOM 1493 CA GLN A 98 -0.920 9.098 10.025 1.00 0.00 C ATOM 1494 C GLN A 98 0.085 10.112 9.488 1.00 0.00 C ATOM 1495 O GLN A 98 1.296 9.941 9.636 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.314 9.463 11.458 1.00 0.00 C ATOM 1497 CG GLN A 98 -0.152 9.426 12.437 1.00 0.00 C ATOM 1498 CD GLN A 98 -0.345 10.370 13.607 1.00 0.00 C ATOM 1499 OE1 GLN A 98 0.405 11.333 13.772 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -1.353 10.099 14.427 1.00 0.00 N ATOM 0 H GLN A 98 0.313 7.546 10.708 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.808 9.124 9.393 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.750 10.462 11.463 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.088 8.775 11.799 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.029 8.410 12.811 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.768 9.686 11.913 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.949 9.290 14.252 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.531 10.700 15.232 1.00 0.00 H new ATOM 1509 N THR A 99 -0.424 11.169 8.863 1.00 0.00 N ATOM 1510 CA THR A 99 0.428 12.210 8.302 1.00 0.00 C ATOM 1511 C THR A 99 1.017 13.088 9.400 1.00 0.00 C ATOM 1512 O THR A 99 0.816 12.834 10.588 1.00 0.00 O ATOM 1513 CB THR A 99 -0.347 13.097 7.310 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.422 13.762 7.984 1.00 0.00 O ATOM 1515 CG2 THR A 99 -0.899 12.269 6.160 1.00 0.00 C ATOM 0 H THR A 99 -1.423 11.327 8.733 1.00 0.00 H new ATOM 0 HA THR A 99 1.236 11.706 7.771 1.00 0.00 H new ATOM 0 HB THR A 99 0.342 13.838 6.905 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.150 13.932 7.350 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.442 12.917 5.473 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.077 11.787 5.631 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.574 11.508 6.551 1.00 0.00 H new ATOM 1523 N LEU A 100 1.746 14.123 8.995 1.00 0.00 N ATOM 1524 CA LEU A 100 2.365 15.041 9.945 1.00 0.00 C ATOM 1525 C LEU A 100 1.328 15.990 10.539 1.00 0.00 C ATOM 1526 O LEU A 100 0.402 16.424 9.854 1.00 0.00 O ATOM 1527 CB LEU A 100 3.474 15.842 9.262 1.00 0.00 C ATOM 1528 CG LEU A 100 4.642 15.030 8.703 1.00 0.00 C ATOM 1529 CD1 LEU A 100 5.594 15.927 7.928 1.00 0.00 C ATOM 1530 CD2 LEU A 100 5.378 14.312 9.826 1.00 0.00 C ATOM 0 H LEU A 100 1.923 14.347 8.016 1.00 0.00 H new ATOM 0 HA LEU A 100 2.797 14.452 10.754 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.032 16.414 8.446 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.869 16.562 9.979 1.00 0.00 H new ATOM 0 HG LEU A 100 4.244 14.281 8.019 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.419 15.331 7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.061 16.394 7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.986 16.700 8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.206 13.739 9.410 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.764 15.045 10.535 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.692 13.638 10.338 1.00 0.00 H new ATOM 1542 N THR A 101 1.491 16.310 11.819 1.00 0.00 N ATOM 1543 CA THR A 101 0.571 17.208 12.506 1.00 0.00 C ATOM 1544 C THR A 101 1.216 18.566 12.760 1.00 0.00 C ATOM 1545 O THR A 101 2.127 18.688 13.578 1.00 0.00 O ATOM 1546 CB THR A 101 0.105 16.614 13.849 1.00 0.00 C ATOM 1547 OG1 THR A 101 1.218 16.484 14.740 1.00 0.00 O ATOM 1548 CG2 THR A 101 -0.548 15.256 13.642 1.00 0.00 C ATOM 0 H THR A 101 2.252 15.960 12.401 1.00 0.00 H new ATOM 0 HA THR A 101 -0.293 17.336 11.854 1.00 0.00 H new ATOM 0 HB THR A 101 -0.631 17.290 14.285 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.894 17.159 14.520 1.00 0.00 H new ATOM 0 HG21 THR A 101 -0.869 14.856 14.604 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.413 15.364 12.987 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.169 14.573 13.186 1.00 0.00 H new ATOM 1556 N ASP A 102 0.736 19.584 12.054 1.00 0.00 N ATOM 1557 CA ASP A 102 1.264 20.935 12.205 1.00 0.00 C ATOM 1558 C ASP A 102 0.987 21.474 13.605 1.00 0.00 C ATOM 1559 O ASP A 102 1.911 21.796 14.351 1.00 0.00 O ATOM 1560 CB ASP A 102 0.652 21.865 11.156 1.00 0.00 C ATOM 1561 CG ASP A 102 0.882 23.329 11.476 1.00 0.00 C ATOM 1562 OD1 ASP A 102 1.991 23.667 11.938 1.00 0.00 O ATOM 1563 OD2 ASP A 102 -0.048 24.135 11.265 1.00 0.00 O ATOM 0 H ASP A 102 -0.018 19.499 11.372 1.00 0.00 H new ATOM 0 HA ASP A 102 2.343 20.895 12.058 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.080 21.638 10.179 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.419 21.675 11.087 1.00 0.00 H new ATOM 1568 N SER A 103 -0.292 21.569 13.954 1.00 0.00 N ATOM 1569 CA SER A 103 -0.692 22.074 15.262 1.00 0.00 C ATOM 1570 C SER A 103 -0.423 21.038 16.349 1.00 0.00 C ATOM 1571 O SER A 103 -0.792 19.872 16.215 1.00 0.00 O ATOM 1572 CB SER A 103 -2.174 22.451 15.256 1.00 0.00 C ATOM 1573 OG SER A 103 -2.448 23.460 16.213 1.00 0.00 O ATOM 0 H SER A 103 -1.069 21.303 13.349 1.00 0.00 H new ATOM 0 HA SER A 103 -0.100 22.964 15.477 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.460 22.800 14.264 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.778 21.569 15.470 1.00 0.00 H new ATOM 0 HG SER A 103 -3.402 23.684 16.188 1.00 0.00 H new ATOM 1579 N GLY A 104 0.221 21.473 17.428 1.00 0.00 N ATOM 1580 CA GLY A 104 0.529 20.572 18.523 1.00 0.00 C ATOM 1581 C GLY A 104 -0.297 20.861 19.761 1.00 0.00 C ATOM 1582 O GLY A 104 -0.892 21.930 19.901 1.00 0.00 O ATOM 0 H GLY A 104 0.535 22.434 17.563 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.353 19.544 18.204 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.588 20.653 18.769 1.00 0.00 H new ATOM 1586 N PRO A 105 -0.343 19.891 20.686 1.00 0.00 N ATOM 1587 CA PRO A 105 -1.100 20.023 21.934 1.00 0.00 C ATOM 1588 C PRO A 105 -0.476 21.037 22.886 1.00 0.00 C ATOM 1589 O PRO A 105 0.538 21.659 22.569 1.00 0.00 O ATOM 1590 CB PRO A 105 -1.039 18.617 22.536 1.00 0.00 C ATOM 1591 CG PRO A 105 0.198 18.014 21.966 1.00 0.00 C ATOM 1592 CD PRO A 105 0.342 18.591 20.585 1.00 0.00 C ATOM 0 HA PRO A 105 -2.114 20.384 21.759 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.996 18.654 23.625 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.922 18.034 22.271 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.067 18.251 22.580 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.121 16.927 21.929 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.389 18.709 20.306 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.119 17.951 19.832 1.00 0.00 H new ATOM 1600 N SER A 106 -1.087 21.198 24.056 1.00 0.00 N ATOM 1601 CA SER A 106 -0.593 22.140 25.053 1.00 0.00 C ATOM 1602 C SER A 106 -1.375 22.010 26.357 1.00 0.00 C ATOM 1603 O SER A 106 -2.575 21.736 26.349 1.00 0.00 O ATOM 1604 CB SER A 106 -0.692 23.572 24.526 1.00 0.00 C ATOM 1605 OG SER A 106 -2.037 23.924 24.254 1.00 0.00 O ATOM 0 H SER A 106 -1.925 20.688 24.336 1.00 0.00 H new ATOM 0 HA SER A 106 0.453 21.906 25.252 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.273 24.262 25.259 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.096 23.671 23.618 1.00 0.00 H new ATOM 0 HG SER A 106 -2.073 24.845 23.920 1.00 0.00 H new ATOM 1611 N SER A 107 -0.686 22.210 27.476 1.00 0.00 N ATOM 1612 CA SER A 107 -1.313 22.112 28.788 1.00 0.00 C ATOM 1613 C SER A 107 -1.812 23.476 29.255 1.00 0.00 C ATOM 1614 O SER A 107 -2.958 23.619 29.681 1.00 0.00 O ATOM 1615 CB SER A 107 -0.326 21.541 29.808 1.00 0.00 C ATOM 1616 OG SER A 107 0.100 20.243 29.433 1.00 0.00 O ATOM 0 H SER A 107 0.307 22.441 27.500 1.00 0.00 H new ATOM 0 HA SER A 107 -2.168 21.440 28.705 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.538 22.201 29.892 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.795 21.503 30.791 1.00 0.00 H new ATOM 0 HG SER A 107 0.731 19.901 30.100 1.00 0.00 H new ATOM 1622 N GLY A 108 -0.942 24.478 29.171 1.00 0.00 N ATOM 1623 CA GLY A 108 -1.311 25.818 29.588 1.00 0.00 C ATOM 1624 C GLY A 108 -0.465 26.320 30.742 1.00 0.00 C ATOM 1625 O GLY A 108 -0.260 27.524 30.892 1.00 0.00 O ATOM 0 H GLY A 108 0.012 24.385 28.822 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -1.209 26.499 28.743 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.361 25.828 29.880 1.00 0.00 H new TER 1629 GLY A 108