USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 904 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 77 SER OG : rot 42:sc= -0.154 USER MOD Set 1.2: A 79 LYS NZ :NH3+ -136:sc= -0.737 (180deg=-2.86!) USER MOD Set 2.1: A 63 THR OG1 : rot 18:sc= 0.651 USER MOD Set 2.2: A 101 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 36 SER OG : rot -72:sc= 1.33 USER MOD Set 3.2: A 51 GLN : amide:sc= 1.08 X(o=2.4,f=2) USER MOD Set 4.1: A 27 LYS NZ :NH3+ 167:sc= -3.57! (180deg=-4.67!) USER MOD Set 4.2: A 31 ASN : amide:sc= -0.393 K(o=-4,f=-13!) USER MOD Set 4.3: A 91 GLN :FLIP amide:sc= 0 F(o=-6.7,f=-4) USER MOD Set 5.1: A 24 THR OG1 : rot 32:sc= 0.171 USER MOD Set 5.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= -0.0286 (180deg=-0.241) USER MOD Single : A 26 GLN :FLIP amide:sc= -1.71 F(o=-2.4!,f=-1.7) USER MOD Single : A 30 GLN :FLIP amide:sc= -1.04 F(o=-2.1!,f=-1) USER MOD Single : A 42 GLN : amide:sc= -0.0733 X(o=-0.073,f=-0.16!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -0.0445 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot -150:sc= 0.0435 USER MOD Single : A 71 THR OG1 : rot -26:sc= 0.144 USER MOD Single : A 74 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.8) USER MOD Single : A 81 LYS NZ :NH3+ 161:sc= -1.79! (180deg=-2.63!) USER MOD Single : A 82 THR OG1 : rot 82:sc= 1.16 USER MOD Single : A 83 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0615) USER MOD Single : A 88 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0989) USER MOD Single : A 89 MET CE :methyl 167:sc= -3.07 (180deg=-3.28) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.67) USER MOD Single : A 102 ASN : amide:sc= -2.95! C(o=-3!,f=-3.7!) USER MOD Single : A 103 LYS NZ :NH3+ 152:sc= 0.152 (180deg=-1.72!) USER MOD Single : A 105 GLN : amide:sc= 0.463 K(o=0.46,f=-3.5!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -2.94 K(o=-2.9,f=-9.8!) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 GLN : amide:sc= 0.694 K(o=0.69,f=-0.2) USER MOD Single : A 121 THR OG1 : rot 43:sc= 0.0187 USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ -174:sc=-0.000618 (180deg=-0.0579) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 13 20.547 -1.265 20.629 1.00 0.00 N ATOM 2 CA GLY A 13 19.575 -0.199 20.973 1.00 0.00 C ATOM 3 C GLY A 13 18.956 0.434 19.743 1.00 0.00 C ATOM 4 O GLY A 13 18.634 1.622 19.742 1.00 0.00 O ATOM 0 HA2 GLY A 13 18.787 -0.617 21.599 1.00 0.00 H new ATOM 0 HA3 GLY A 13 20.076 0.570 21.562 1.00 0.00 H new ATOM 10 N SER A 14 18.794 -0.351 18.688 1.00 0.00 N ATOM 11 CA SER A 14 18.209 0.142 17.455 1.00 0.00 C ATOM 12 C SER A 14 16.966 -0.670 17.108 1.00 0.00 C ATOM 13 O SER A 14 17.016 -1.899 17.061 1.00 0.00 O ATOM 14 CB SER A 14 19.233 0.063 16.316 1.00 0.00 C ATOM 15 OG SER A 14 18.714 0.612 15.114 1.00 0.00 O ATOM 0 H SER A 14 19.061 -1.335 18.664 1.00 0.00 H new ATOM 0 HA SER A 14 17.921 1.184 17.591 1.00 0.00 H new ATOM 0 HB2 SER A 14 20.139 0.598 16.601 1.00 0.00 H new ATOM 0 HB3 SER A 14 19.516 -0.977 16.151 1.00 0.00 H new ATOM 0 HG SER A 14 19.390 0.549 14.407 1.00 0.00 H new ATOM 21 N PRO A 15 15.831 0.004 16.866 1.00 0.00 N ATOM 22 CA PRO A 15 14.575 -0.662 16.508 1.00 0.00 C ATOM 23 C PRO A 15 14.570 -1.167 15.065 1.00 0.00 C ATOM 24 O PRO A 15 13.529 -1.576 14.543 1.00 0.00 O ATOM 25 CB PRO A 15 13.528 0.434 16.695 1.00 0.00 C ATOM 26 CG PRO A 15 14.268 1.707 16.466 1.00 0.00 C ATOM 27 CD PRO A 15 15.674 1.471 16.946 1.00 0.00 C ATOM 0 HA PRO A 15 14.398 -1.549 17.116 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.706 0.321 15.988 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.095 0.402 17.695 1.00 0.00 H new ATOM 0 HG2 PRO A 15 14.258 1.978 15.410 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.804 2.530 17.011 1.00 0.00 H new ATOM 0 HD2 PRO A 15 16.402 1.986 16.320 1.00 0.00 H new ATOM 0 HD3 PRO A 15 15.816 1.834 17.964 1.00 0.00 H new ATOM 35 N GLY A 16 15.733 -1.132 14.426 1.00 0.00 N ATOM 36 CA GLY A 16 15.853 -1.584 13.056 1.00 0.00 C ATOM 37 C GLY A 16 15.431 -0.516 12.071 1.00 0.00 C ATOM 38 O GLY A 16 16.234 -0.051 11.261 1.00 0.00 O ATOM 0 H GLY A 16 16.603 -0.795 14.839 1.00 0.00 H new ATOM 0 HA2 GLY A 16 16.885 -1.873 12.858 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.240 -2.474 12.912 1.00 0.00 H new ATOM 42 N ILE A 17 14.174 -0.116 12.161 1.00 0.00 N ATOM 43 CA ILE A 17 13.622 0.899 11.281 1.00 0.00 C ATOM 44 C ILE A 17 13.423 2.209 12.040 1.00 0.00 C ATOM 45 O ILE A 17 13.221 2.210 13.258 1.00 0.00 O ATOM 46 CB ILE A 17 12.282 0.431 10.667 1.00 0.00 C ATOM 47 CG1 ILE A 17 11.252 0.157 11.770 1.00 0.00 C ATOM 48 CG2 ILE A 17 12.505 -0.803 9.805 1.00 0.00 C ATOM 49 CD1 ILE A 17 10.017 -0.582 11.299 1.00 0.00 C ATOM 0 H ILE A 17 13.510 -0.484 12.843 1.00 0.00 H new ATOM 0 HA ILE A 17 14.331 1.064 10.470 1.00 0.00 H new ATOM 0 HB ILE A 17 11.888 1.224 10.032 1.00 0.00 H new ATOM 0 HG12 ILE A 17 11.729 -0.423 12.560 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.947 1.106 12.210 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.555 -1.125 9.377 1.00 0.00 H new ATOM 0 HG22 ILE A 17 13.202 -0.565 9.002 1.00 0.00 H new ATOM 0 HG23 ILE A 17 12.917 -1.605 10.417 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.341 -0.735 12.141 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.513 0.004 10.531 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.307 -1.548 10.886 1.00 0.00 H new ATOM 61 N PRO A 18 13.507 3.342 11.332 1.00 0.00 N ATOM 62 CA PRO A 18 13.386 4.673 11.926 1.00 0.00 C ATOM 63 C PRO A 18 11.928 5.126 12.015 1.00 0.00 C ATOM 64 O PRO A 18 11.032 4.287 12.119 1.00 0.00 O ATOM 65 CB PRO A 18 14.176 5.515 10.926 1.00 0.00 C ATOM 66 CG PRO A 18 13.838 4.904 9.619 1.00 0.00 C ATOM 67 CD PRO A 18 13.734 3.425 9.875 1.00 0.00 C ATOM 0 HA PRO A 18 13.748 4.737 12.952 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.885 6.565 10.966 1.00 0.00 H new ATOM 0 HB3 PRO A 18 15.247 5.474 11.124 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.900 5.301 9.232 1.00 0.00 H new ATOM 0 HG3 PRO A 18 14.606 5.120 8.876 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.913 2.978 9.315 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.644 2.902 9.580 1.00 0.00 H new ATOM 75 N VAL A 19 11.715 6.448 11.989 1.00 0.00 N ATOM 76 CA VAL A 19 10.390 7.059 12.020 1.00 0.00 C ATOM 77 C VAL A 19 9.338 6.224 11.286 1.00 0.00 C ATOM 78 O VAL A 19 9.488 5.915 10.100 1.00 0.00 O ATOM 79 CB VAL A 19 10.413 8.444 11.363 1.00 0.00 C ATOM 80 CG1 VAL A 19 9.328 9.319 11.947 1.00 0.00 C ATOM 81 CG2 VAL A 19 11.776 9.110 11.493 1.00 0.00 C ATOM 0 H VAL A 19 12.473 7.129 11.945 1.00 0.00 H new ATOM 0 HA VAL A 19 10.123 7.128 13.074 1.00 0.00 H new ATOM 0 HB VAL A 19 10.221 8.310 10.298 1.00 0.00 H new ATOM 0 HG11 VAL A 19 9.356 10.299 11.471 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.356 8.858 11.772 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.489 9.431 13.019 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.750 10.089 11.015 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.024 9.228 12.548 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.531 8.490 11.010 1.00 0.00 H new ATOM 91 N PRO A 20 8.270 5.842 11.993 1.00 0.00 N ATOM 92 CA PRO A 20 7.174 5.080 11.436 1.00 0.00 C ATOM 93 C PRO A 20 6.071 5.973 10.890 1.00 0.00 C ATOM 94 O PRO A 20 5.588 6.883 11.570 1.00 0.00 O ATOM 95 CB PRO A 20 6.664 4.271 12.634 1.00 0.00 C ATOM 96 CG PRO A 20 7.287 4.884 13.857 1.00 0.00 C ATOM 97 CD PRO A 20 8.050 6.102 13.407 1.00 0.00 C ATOM 0 HA PRO A 20 7.488 4.467 10.591 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.576 4.308 12.693 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.943 3.221 12.541 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.521 5.157 14.583 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.952 4.173 14.347 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.480 7.017 13.566 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.989 6.213 13.948 1.00 0.00 H new ATOM 105 N GLY A 21 5.685 5.714 9.658 1.00 0.00 N ATOM 106 CA GLY A 21 4.608 6.450 9.043 1.00 0.00 C ATOM 107 C GLY A 21 3.469 5.533 8.666 1.00 0.00 C ATOM 108 O GLY A 21 3.695 4.392 8.266 1.00 0.00 O ATOM 0 H GLY A 21 6.104 4.998 9.065 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.249 7.217 9.729 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.975 6.963 8.154 1.00 0.00 H new ATOM 112 N LYS A 22 2.250 6.014 8.802 1.00 0.00 N ATOM 113 CA LYS A 22 1.079 5.217 8.479 1.00 0.00 C ATOM 114 C LYS A 22 -0.096 6.118 8.139 1.00 0.00 C ATOM 115 O LYS A 22 -0.424 7.037 8.896 1.00 0.00 O ATOM 116 CB LYS A 22 0.711 4.267 9.636 1.00 0.00 C ATOM 117 CG LYS A 22 0.448 4.947 10.978 1.00 0.00 C ATOM 118 CD LYS A 22 1.739 5.318 11.696 1.00 0.00 C ATOM 119 CE LYS A 22 1.464 6.017 13.017 1.00 0.00 C ATOM 120 NZ LYS A 22 0.739 7.300 12.828 1.00 0.00 N ATOM 0 H LYS A 22 2.042 6.955 9.135 1.00 0.00 H new ATOM 0 HA LYS A 22 1.319 4.606 7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.177 3.703 9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.519 3.547 9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.148 5.845 10.818 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.140 4.283 11.611 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.328 4.418 11.876 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.337 5.968 11.057 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.877 5.360 13.659 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.407 6.206 13.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.764 7.847 13.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.194 7.847 12.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.249 7.105 12.569 1.00 0.00 H new ATOM 134 N VAL A 23 -0.716 5.880 6.991 1.00 0.00 N ATOM 135 CA VAL A 23 -1.872 6.664 6.593 1.00 0.00 C ATOM 136 C VAL A 23 -3.021 5.745 6.208 1.00 0.00 C ATOM 137 O VAL A 23 -2.809 4.566 5.904 1.00 0.00 O ATOM 138 CB VAL A 23 -1.556 7.645 5.436 1.00 0.00 C ATOM 139 CG1 VAL A 23 -0.441 8.595 5.831 1.00 0.00 C ATOM 140 CG2 VAL A 23 -1.188 6.910 4.162 1.00 0.00 C ATOM 0 H VAL A 23 -0.440 5.157 6.326 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.161 7.269 7.452 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.461 8.220 5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.234 9.276 5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.745 9.168 6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.458 8.024 6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.973 7.632 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.307 6.294 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.019 6.275 3.855 1.00 0.00 H new ATOM 150 N THR A 24 -4.231 6.271 6.248 1.00 0.00 N ATOM 151 CA THR A 24 -5.406 5.479 5.956 1.00 0.00 C ATOM 152 C THR A 24 -6.328 6.219 4.984 1.00 0.00 C ATOM 153 O THR A 24 -6.825 7.310 5.268 1.00 0.00 O ATOM 154 CB THR A 24 -6.155 5.090 7.258 1.00 0.00 C ATOM 155 OG1 THR A 24 -7.338 4.340 6.960 1.00 0.00 O ATOM 156 CG2 THR A 24 -6.517 6.317 8.084 1.00 0.00 C ATOM 0 H THR A 24 -4.424 7.245 6.481 1.00 0.00 H new ATOM 0 HA THR A 24 -5.083 4.555 5.476 1.00 0.00 H new ATOM 0 HB THR A 24 -5.478 4.470 7.846 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.194 3.811 6.147 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.040 6.006 8.988 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.608 6.853 8.357 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.162 6.972 7.499 1.00 0.00 H new ATOM 164 N LEU A 25 -6.513 5.621 3.818 1.00 0.00 N ATOM 165 CA LEU A 25 -7.345 6.180 2.760 1.00 0.00 C ATOM 166 C LEU A 25 -8.380 5.138 2.343 1.00 0.00 C ATOM 167 O LEU A 25 -8.679 4.223 3.109 1.00 0.00 O ATOM 168 CB LEU A 25 -6.484 6.588 1.543 1.00 0.00 C ATOM 169 CG LEU A 25 -5.576 7.815 1.721 1.00 0.00 C ATOM 170 CD1 LEU A 25 -6.343 8.973 2.339 1.00 0.00 C ATOM 171 CD2 LEU A 25 -4.344 7.478 2.544 1.00 0.00 C ATOM 0 H LEU A 25 -6.087 4.726 3.575 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.846 7.073 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.858 5.739 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.151 6.777 0.702 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.238 8.122 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.678 9.829 2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.176 9.245 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.725 8.676 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.723 8.368 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.650 7.128 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.774 6.696 2.042 1.00 0.00 H new ATOM 183 N GLN A 26 -8.935 5.280 1.149 1.00 0.00 N ATOM 184 CA GLN A 26 -9.855 4.306 0.603 1.00 0.00 C ATOM 185 C GLN A 26 -9.343 3.793 -0.716 1.00 0.00 C ATOM 186 O GLN A 26 -8.520 4.420 -1.374 1.00 0.00 O ATOM 187 CB GLN A 26 -11.236 4.897 0.372 1.00 0.00 C ATOM 188 CG GLN A 26 -11.942 5.343 1.624 1.00 0.00 C ATOM 189 CD GLN A 26 -12.280 4.219 2.583 1.00 0.00 C ATOM 190 OE1 GLN A 26 -11.400 3.960 3.533 1.00 0.00 O flip ATOM 191 NE2 GLN A 26 -13.339 3.601 2.481 1.00 0.00 N flip ATOM 0 H GLN A 26 -8.758 6.075 0.535 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.930 3.499 1.332 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.144 5.749 -0.301 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.854 4.156 -0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.316 6.070 2.141 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.862 5.856 1.345 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.993 3.831 1.733 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.562 2.859 3.144 1.00 0.00 H new ATOM 200 N LYS A 27 -9.834 2.638 -1.056 1.00 0.00 N ATOM 201 CA LYS A 27 -9.561 1.995 -2.345 1.00 0.00 C ATOM 202 C LYS A 27 -9.906 2.924 -3.506 1.00 0.00 C ATOM 203 O LYS A 27 -10.725 3.835 -3.374 1.00 0.00 O ATOM 204 CB LYS A 27 -10.384 0.706 -2.476 1.00 0.00 C ATOM 205 CG LYS A 27 -10.159 -0.260 -1.352 1.00 0.00 C ATOM 206 CD LYS A 27 -8.792 -0.862 -1.473 1.00 0.00 C ATOM 207 CE LYS A 27 -8.738 -1.931 -2.539 1.00 0.00 C ATOM 208 NZ LYS A 27 -9.702 -3.027 -2.273 1.00 0.00 N ATOM 0 H LYS A 27 -10.447 2.093 -0.449 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.497 1.762 -2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.443 0.962 -2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.136 0.219 -3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.259 0.251 -0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.916 -1.044 -1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.070 -0.079 -1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.498 -1.290 -0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.953 -1.486 -3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.729 -2.340 -2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.795 -3.621 -3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.359 -3.607 -1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.629 -2.623 -2.030 1.00 0.00 H new ATOM 222 N ASP A 28 -9.283 2.673 -4.643 1.00 0.00 N ATOM 223 CA ASP A 28 -9.521 3.453 -5.845 1.00 0.00 C ATOM 224 C ASP A 28 -10.664 2.820 -6.627 1.00 0.00 C ATOM 225 O ASP A 28 -11.141 1.749 -6.252 1.00 0.00 O ATOM 226 CB ASP A 28 -8.235 3.496 -6.690 1.00 0.00 C ATOM 227 CG ASP A 28 -8.349 4.352 -7.936 1.00 0.00 C ATOM 228 OD1 ASP A 28 -8.268 5.592 -7.825 1.00 0.00 O ATOM 229 OD2 ASP A 28 -8.513 3.784 -9.034 1.00 0.00 O ATOM 0 H ASP A 28 -8.599 1.925 -4.760 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.796 4.475 -5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.419 3.875 -6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.969 2.480 -6.982 1.00 0.00 H new ATOM 234 N ALA A 29 -11.092 3.454 -7.706 1.00 0.00 N ATOM 235 CA ALA A 29 -12.113 2.882 -8.577 1.00 0.00 C ATOM 236 C ALA A 29 -11.631 1.563 -9.173 1.00 0.00 C ATOM 237 O ALA A 29 -12.417 0.774 -9.694 1.00 0.00 O ATOM 238 CB ALA A 29 -12.451 3.858 -9.687 1.00 0.00 C ATOM 0 H ALA A 29 -10.749 4.368 -8.003 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.007 2.689 -7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.214 3.424 -10.333 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.827 4.785 -9.254 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.556 4.067 -10.273 1.00 0.00 H new ATOM 244 N GLN A 30 -10.330 1.335 -9.081 1.00 0.00 N ATOM 245 CA GLN A 30 -9.710 0.144 -9.619 1.00 0.00 C ATOM 246 C GLN A 30 -9.653 -0.955 -8.569 1.00 0.00 C ATOM 247 O GLN A 30 -9.133 -2.041 -8.825 1.00 0.00 O ATOM 248 CB GLN A 30 -8.306 0.486 -10.060 1.00 0.00 C ATOM 249 CG GLN A 30 -8.011 0.163 -11.512 1.00 0.00 C ATOM 250 CD GLN A 30 -6.537 0.279 -11.837 1.00 0.00 C ATOM 251 OE1 GLN A 30 -5.817 -0.819 -11.686 1.00 0.00 O flip ATOM 252 NE2 GLN A 30 -6.048 1.344 -12.216 1.00 0.00 N flip ATOM 0 H GLN A 30 -9.677 1.975 -8.629 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.299 -0.214 -10.463 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.135 1.550 -9.895 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.598 -0.052 -9.429 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.351 -0.849 -11.734 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.577 0.838 -12.154 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.639 2.169 -12.319 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.052 1.401 -12.426 1.00 0.00 H new ATOM 261 N ASN A 31 -10.157 -0.635 -7.377 1.00 0.00 N ATOM 262 CA ASN A 31 -10.211 -1.584 -6.257 1.00 0.00 C ATOM 263 C ASN A 31 -8.806 -1.852 -5.737 1.00 0.00 C ATOM 264 O ASN A 31 -8.436 -2.973 -5.378 1.00 0.00 O ATOM 265 CB ASN A 31 -10.894 -2.883 -6.703 1.00 0.00 C ATOM 266 CG ASN A 31 -10.924 -3.980 -5.646 1.00 0.00 C ATOM 267 OD1 ASN A 31 -11.017 -3.714 -4.451 1.00 0.00 O ATOM 268 ND2 ASN A 31 -10.826 -5.227 -6.085 1.00 0.00 N ATOM 0 H ASN A 31 -10.539 0.285 -7.158 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.798 -1.154 -5.445 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.918 -2.656 -7.001 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.381 -3.262 -7.587 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.826 -6.002 -5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.750 -5.411 -7.085 1.00 0.00 H new ATOM 275 N LEU A 32 -8.004 -0.814 -5.717 1.00 0.00 N ATOM 276 CA LEU A 32 -6.671 -0.917 -5.162 1.00 0.00 C ATOM 277 C LEU A 32 -6.166 0.425 -4.673 1.00 0.00 C ATOM 278 O LEU A 32 -6.943 1.368 -4.552 1.00 0.00 O ATOM 279 CB LEU A 32 -5.745 -1.514 -6.217 1.00 0.00 C ATOM 280 CG LEU A 32 -5.918 -0.984 -7.653 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.550 0.488 -7.770 1.00 0.00 C ATOM 282 CD2 LEU A 32 -5.088 -1.812 -8.619 1.00 0.00 C ATOM 0 H LEU A 32 -8.248 0.109 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.694 -1.572 -4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.715 -1.337 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.892 -2.594 -6.230 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.973 -1.076 -7.910 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.688 0.817 -8.800 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.190 1.076 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.508 0.627 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.218 -1.429 -9.631 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.036 -1.751 -8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.414 -2.851 -8.580 1.00 0.00 H new ATOM 294 N ILE A 33 -4.879 0.513 -4.385 1.00 0.00 N ATOM 295 CA ILE A 33 -4.323 1.734 -3.871 1.00 0.00 C ATOM 296 C ILE A 33 -3.602 2.504 -4.963 1.00 0.00 C ATOM 297 O ILE A 33 -3.545 3.732 -4.933 1.00 0.00 O ATOM 298 CB ILE A 33 -3.362 1.471 -2.705 1.00 0.00 C ATOM 299 CG1 ILE A 33 -3.377 -0.003 -2.291 1.00 0.00 C ATOM 300 CG2 ILE A 33 -3.766 2.344 -1.535 1.00 0.00 C ATOM 301 CD1 ILE A 33 -2.324 -0.351 -1.260 1.00 0.00 C ATOM 0 H ILE A 33 -4.209 -0.247 -4.501 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.155 2.333 -3.502 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.348 1.712 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.361 -0.250 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.227 -0.622 -3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.090 2.167 -0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.713 3.393 -1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.786 2.102 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.392 -1.411 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.335 -0.136 -1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.486 0.242 -0.360 1.00 0.00 H new ATOM 313 N GLY A 34 -3.079 1.778 -5.940 1.00 0.00 N ATOM 314 CA GLY A 34 -2.357 2.402 -7.027 1.00 0.00 C ATOM 315 C GLY A 34 -0.857 2.312 -6.856 1.00 0.00 C ATOM 316 O GLY A 34 -0.131 3.238 -7.224 1.00 0.00 O ATOM 0 H GLY A 34 -3.143 0.762 -5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.641 1.928 -7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.649 3.450 -7.098 1.00 0.00 H new ATOM 320 N ILE A 35 -0.392 1.205 -6.291 1.00 0.00 N ATOM 321 CA ILE A 35 1.038 1.002 -6.069 1.00 0.00 C ATOM 322 C ILE A 35 1.515 -0.317 -6.657 1.00 0.00 C ATOM 323 O ILE A 35 0.733 -1.089 -7.213 1.00 0.00 O ATOM 324 CB ILE A 35 1.402 1.048 -4.565 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.532 0.093 -3.742 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.285 2.457 -4.030 1.00 0.00 C ATOM 327 CD1 ILE A 35 1.107 -1.295 -3.608 1.00 0.00 C ATOM 0 H ILE A 35 -0.981 0.434 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 35 1.543 1.823 -6.578 1.00 0.00 H new ATOM 0 HB ILE A 35 2.437 0.720 -4.471 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.389 0.514 -2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.453 0.025 -4.204 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.545 2.467 -2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.964 3.111 -4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.261 2.810 -4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.434 -1.912 -3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.224 -1.737 -4.597 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.079 -1.240 -3.117 1.00 0.00 H new ATOM 339 N SER A 36 2.806 -0.556 -6.535 1.00 0.00 N ATOM 340 CA SER A 36 3.407 -1.792 -6.994 1.00 0.00 C ATOM 341 C SER A 36 4.359 -2.340 -5.954 1.00 0.00 C ATOM 342 O SER A 36 5.246 -1.632 -5.477 1.00 0.00 O ATOM 343 CB SER A 36 4.117 -1.563 -8.319 1.00 0.00 C ATOM 344 OG SER A 36 3.158 -1.387 -9.336 1.00 0.00 O ATOM 0 H SER A 36 3.466 0.099 -6.116 1.00 0.00 H new ATOM 0 HA SER A 36 2.621 -2.532 -7.147 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.760 -0.685 -8.253 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.760 -2.412 -8.552 1.00 0.00 H new ATOM 0 HG SER A 36 2.724 -2.244 -9.528 1.00 0.00 H new ATOM 350 N ILE A 37 4.173 -3.605 -5.610 1.00 0.00 N ATOM 351 CA ILE A 37 4.933 -4.208 -4.520 1.00 0.00 C ATOM 352 C ILE A 37 5.983 -5.191 -5.033 1.00 0.00 C ATOM 353 O ILE A 37 5.757 -5.931 -5.990 1.00 0.00 O ATOM 354 CB ILE A 37 4.006 -4.898 -3.485 1.00 0.00 C ATOM 355 CG1 ILE A 37 3.177 -3.848 -2.739 1.00 0.00 C ATOM 356 CG2 ILE A 37 4.800 -5.749 -2.500 1.00 0.00 C ATOM 357 CD1 ILE A 37 2.249 -4.425 -1.689 1.00 0.00 C ATOM 0 H ILE A 37 3.509 -4.232 -6.064 1.00 0.00 H new ATOM 0 HA ILE A 37 5.453 -3.392 -4.018 1.00 0.00 H new ATOM 0 HB ILE A 37 3.334 -5.564 -4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.853 -3.139 -2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.586 -3.286 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.117 -6.217 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.344 -6.522 -3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.507 -5.118 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.698 -3.617 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.547 -5.111 -2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.834 -4.962 -0.942 1.00 0.00 H new ATOM 369 N GLY A 38 7.135 -5.158 -4.387 1.00 0.00 N ATOM 370 CA GLY A 38 8.246 -6.019 -4.732 1.00 0.00 C ATOM 371 C GLY A 38 9.449 -5.728 -3.859 1.00 0.00 C ATOM 372 O GLY A 38 9.342 -4.989 -2.884 1.00 0.00 O ATOM 0 H GLY A 38 7.324 -4.530 -3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.952 -7.062 -4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.510 -5.876 -5.780 1.00 0.00 H new ATOM 376 N GLY A 39 10.589 -6.306 -4.194 1.00 0.00 N ATOM 377 CA GLY A 39 11.817 -5.971 -3.502 1.00 0.00 C ATOM 378 C GLY A 39 12.739 -5.198 -4.417 1.00 0.00 C ATOM 379 O GLY A 39 12.632 -5.343 -5.630 1.00 0.00 O ATOM 0 H GLY A 39 10.688 -7.002 -4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.593 -5.379 -2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.311 -6.881 -3.161 1.00 0.00 H new ATOM 383 N GLY A 40 13.619 -4.367 -3.854 1.00 0.00 N ATOM 384 CA GLY A 40 14.539 -3.593 -4.683 1.00 0.00 C ATOM 385 C GLY A 40 15.269 -4.448 -5.703 1.00 0.00 C ATOM 386 O GLY A 40 14.988 -4.382 -6.899 1.00 0.00 O ATOM 0 H GLY A 40 13.712 -4.216 -2.850 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.984 -2.811 -5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 40 15.268 -3.096 -4.043 1.00 0.00 H new ATOM 390 N ALA A 41 16.209 -5.245 -5.230 1.00 0.00 N ATOM 391 CA ALA A 41 16.877 -6.211 -6.077 1.00 0.00 C ATOM 392 C ALA A 41 16.031 -7.473 -6.187 1.00 0.00 C ATOM 393 O ALA A 41 16.255 -8.444 -5.463 1.00 0.00 O ATOM 394 CB ALA A 41 18.260 -6.528 -5.533 1.00 0.00 C ATOM 0 H ALA A 41 16.527 -5.241 -4.261 1.00 0.00 H new ATOM 0 HA ALA A 41 16.999 -5.787 -7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 41 18.748 -7.256 -6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 41 18.855 -5.616 -5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 41 18.170 -6.941 -4.528 1.00 0.00 H new ATOM 400 N GLN A 42 15.035 -7.402 -7.074 1.00 0.00 N ATOM 401 CA GLN A 42 14.088 -8.488 -7.383 1.00 0.00 C ATOM 402 C GLN A 42 13.333 -9.027 -6.149 1.00 0.00 C ATOM 403 O GLN A 42 12.129 -8.792 -6.023 1.00 0.00 O ATOM 404 CB GLN A 42 14.737 -9.614 -8.225 1.00 0.00 C ATOM 405 CG GLN A 42 15.871 -10.390 -7.569 1.00 0.00 C ATOM 406 CD GLN A 42 16.618 -11.264 -8.558 1.00 0.00 C ATOM 407 OE1 GLN A 42 16.235 -12.407 -8.811 1.00 0.00 O ATOM 408 NE2 GLN A 42 17.697 -10.740 -9.111 1.00 0.00 N ATOM 0 H GLN A 42 14.856 -6.558 -7.619 1.00 0.00 H new ATOM 0 HA GLN A 42 13.319 -8.033 -8.007 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.957 -10.322 -8.505 1.00 0.00 H new ATOM 0 HB3 GLN A 42 15.115 -9.174 -9.148 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.568 -9.690 -7.107 1.00 0.00 H new ATOM 0 HG3 GLN A 42 15.468 -11.012 -6.770 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.981 -9.789 -8.875 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.247 -11.286 -9.774 1.00 0.00 H new ATOM 417 N TYR A 43 14.006 -9.736 -5.245 1.00 0.00 N ATOM 418 CA TYR A 43 13.336 -10.289 -4.067 1.00 0.00 C ATOM 419 C TYR A 43 14.312 -10.495 -2.910 1.00 0.00 C ATOM 420 O TYR A 43 14.004 -11.201 -1.949 1.00 0.00 O ATOM 421 CB TYR A 43 12.645 -11.621 -4.403 1.00 0.00 C ATOM 422 CG TYR A 43 13.584 -12.734 -4.827 1.00 0.00 C ATOM 423 CD1 TYR A 43 13.938 -12.902 -6.159 1.00 0.00 C ATOM 424 CD2 TYR A 43 14.115 -13.619 -3.894 1.00 0.00 C ATOM 425 CE1 TYR A 43 14.792 -13.916 -6.548 1.00 0.00 C ATOM 426 CE2 TYR A 43 14.971 -14.632 -4.277 1.00 0.00 C ATOM 427 CZ TYR A 43 15.306 -14.776 -5.604 1.00 0.00 C ATOM 428 OH TYR A 43 16.165 -15.779 -5.988 1.00 0.00 O ATOM 0 H TYR A 43 15.004 -9.940 -5.303 1.00 0.00 H new ATOM 0 HA TYR A 43 12.583 -9.564 -3.758 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.082 -11.952 -3.531 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.924 -11.449 -5.202 1.00 0.00 H new ATOM 0 HD1 TYR A 43 13.539 -12.229 -6.903 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.853 -13.512 -2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.055 -14.033 -7.589 1.00 0.00 H new ATOM 0 HE2 TYR A 43 15.376 -15.308 -3.539 1.00 0.00 H new ATOM 0 HH TYR A 43 16.437 -16.296 -5.201 1.00 0.00 H new ATOM 438 N CYS A 44 15.468 -9.860 -2.982 1.00 0.00 N ATOM 439 CA CYS A 44 16.510 -10.089 -1.998 1.00 0.00 C ATOM 440 C CYS A 44 16.390 -9.104 -0.834 1.00 0.00 C ATOM 441 O CYS A 44 16.408 -9.520 0.325 1.00 0.00 O ATOM 442 CB CYS A 44 17.893 -10.018 -2.655 1.00 0.00 C ATOM 443 SG CYS A 44 18.073 -11.118 -4.080 1.00 0.00 S ATOM 0 H CYS A 44 15.708 -9.185 -3.708 1.00 0.00 H new ATOM 0 HA CYS A 44 16.385 -11.092 -1.589 1.00 0.00 H new ATOM 0 HB2 CYS A 44 18.084 -8.993 -2.971 1.00 0.00 H new ATOM 0 HB3 CYS A 44 18.652 -10.269 -1.914 1.00 0.00 H new ATOM 0 HG CYS A 44 19.268 -10.994 -4.576 1.00 0.00 H new ATOM 449 N PRO A 45 16.255 -7.786 -1.098 1.00 0.00 N ATOM 450 CA PRO A 45 16.086 -6.809 -0.052 1.00 0.00 C ATOM 451 C PRO A 45 14.625 -6.406 0.122 1.00 0.00 C ATOM 452 O PRO A 45 13.719 -7.089 -0.361 1.00 0.00 O ATOM 453 CB PRO A 45 16.913 -5.642 -0.577 1.00 0.00 C ATOM 454 CG PRO A 45 16.817 -5.739 -2.069 1.00 0.00 C ATOM 455 CD PRO A 45 16.279 -7.115 -2.402 1.00 0.00 C ATOM 0 HA PRO A 45 16.392 -7.171 0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 45 16.524 -4.689 -0.218 1.00 0.00 H new ATOM 0 HB3 PRO A 45 17.948 -5.710 -0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 45 16.158 -4.964 -2.462 1.00 0.00 H new ATOM 0 HG3 PRO A 45 17.795 -5.588 -2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 45 15.285 -7.063 -2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.919 -7.637 -3.113 1.00 0.00 H new ATOM 463 N CYS A 46 14.400 -5.293 0.798 1.00 0.00 N ATOM 464 CA CYS A 46 13.051 -4.823 1.052 1.00 0.00 C ATOM 465 C CYS A 46 12.804 -3.464 0.404 1.00 0.00 C ATOM 466 O CYS A 46 13.670 -2.940 -0.300 1.00 0.00 O ATOM 467 CB CYS A 46 12.798 -4.732 2.559 1.00 0.00 C ATOM 468 SG CYS A 46 12.884 -6.316 3.424 1.00 0.00 S ATOM 0 H CYS A 46 15.135 -4.698 1.181 1.00 0.00 H new ATOM 0 HA CYS A 46 12.360 -5.541 0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 46 13.528 -4.052 2.998 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.814 -4.294 2.725 1.00 0.00 H new ATOM 0 HG CYS A 46 12.658 -6.131 4.691 1.00 0.00 H new ATOM 474 N LEU A 47 11.572 -2.984 0.615 1.00 0.00 N ATOM 475 CA LEU A 47 11.073 -1.637 0.284 1.00 0.00 C ATOM 476 C LEU A 47 9.591 -1.769 -0.028 1.00 0.00 C ATOM 477 O LEU A 47 8.765 -0.970 0.400 1.00 0.00 O ATOM 478 CB LEU A 47 11.834 -0.909 -0.858 1.00 0.00 C ATOM 479 CG LEU A 47 11.963 -1.616 -2.220 1.00 0.00 C ATOM 480 CD1 LEU A 47 10.693 -1.497 -3.045 1.00 0.00 C ATOM 481 CD2 LEU A 47 13.138 -1.033 -2.988 1.00 0.00 C ATOM 0 H LEU A 47 10.850 -3.559 1.048 1.00 0.00 H new ATOM 0 HA LEU A 47 11.250 -0.995 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.342 0.049 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.840 -0.692 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 47 12.132 -2.676 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 47 10.828 -2.010 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.863 -1.951 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.475 -0.445 -3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.228 -1.535 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.976 0.033 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.055 -1.179 -2.416 1.00 0.00 H new ATOM 493 N TYR A 48 9.275 -2.841 -0.738 1.00 0.00 N ATOM 494 CA TYR A 48 7.908 -3.243 -1.050 1.00 0.00 C ATOM 495 C TYR A 48 7.113 -2.250 -1.900 1.00 0.00 C ATOM 496 O TYR A 48 6.158 -2.660 -2.541 1.00 0.00 O ATOM 497 CB TYR A 48 7.164 -3.634 0.221 1.00 0.00 C ATOM 498 CG TYR A 48 7.709 -4.920 0.788 1.00 0.00 C ATOM 499 CD1 TYR A 48 8.849 -4.917 1.575 1.00 0.00 C ATOM 500 CD2 TYR A 48 7.115 -6.141 0.497 1.00 0.00 C ATOM 501 CE1 TYR A 48 9.383 -6.089 2.060 1.00 0.00 C ATOM 502 CE2 TYR A 48 7.640 -7.321 0.985 1.00 0.00 C ATOM 503 CZ TYR A 48 8.775 -7.290 1.765 1.00 0.00 C ATOM 504 OH TYR A 48 9.306 -8.463 2.248 1.00 0.00 O ATOM 0 H TYR A 48 9.977 -3.472 -1.124 1.00 0.00 H new ATOM 0 HA TYR A 48 8.001 -4.117 -1.694 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.255 -2.838 0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.102 -3.748 0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 48 9.327 -3.978 1.812 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.229 -6.168 -0.120 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.275 -6.068 2.669 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.164 -8.263 0.757 1.00 0.00 H new ATOM 0 HH TYR A 48 8.757 -9.218 1.950 1.00 0.00 H new ATOM 514 N ILE A 49 7.462 -0.971 -1.938 1.00 0.00 N ATOM 515 CA ILE A 49 6.806 -0.101 -2.899 1.00 0.00 C ATOM 516 C ILE A 49 7.797 0.326 -3.991 1.00 0.00 C ATOM 517 O ILE A 49 8.757 1.068 -3.763 1.00 0.00 O ATOM 518 CB ILE A 49 6.081 1.097 -2.221 1.00 0.00 C ATOM 519 CG1 ILE A 49 4.903 1.570 -3.082 1.00 0.00 C ATOM 520 CG2 ILE A 49 7.024 2.250 -1.940 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.298 2.448 -4.250 1.00 0.00 C ATOM 0 H ILE A 49 8.163 -0.529 -1.343 1.00 0.00 H new ATOM 0 HA ILE A 49 6.011 -0.667 -3.385 1.00 0.00 H new ATOM 0 HB ILE A 49 5.703 0.744 -1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.372 0.697 -3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.204 2.118 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.474 3.063 -1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.820 1.915 -1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.457 2.602 -2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.406 2.738 -4.806 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.801 3.341 -3.880 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.972 1.898 -4.907 1.00 0.00 H new ATOM 533 N VAL A 50 7.580 -0.208 -5.181 1.00 0.00 N ATOM 534 CA VAL A 50 8.492 0.002 -6.294 1.00 0.00 C ATOM 535 C VAL A 50 8.026 1.151 -7.179 1.00 0.00 C ATOM 536 O VAL A 50 8.838 1.866 -7.766 1.00 0.00 O ATOM 537 CB VAL A 50 8.622 -1.279 -7.154 1.00 0.00 C ATOM 538 CG1 VAL A 50 9.684 -1.109 -8.232 1.00 0.00 C ATOM 539 CG2 VAL A 50 8.935 -2.486 -6.282 1.00 0.00 C ATOM 0 H VAL A 50 6.775 -0.794 -5.402 1.00 0.00 H new ATOM 0 HA VAL A 50 9.464 0.251 -5.869 1.00 0.00 H new ATOM 0 HB VAL A 50 7.664 -1.449 -7.646 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.754 -2.023 -8.821 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.412 -0.278 -8.883 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.647 -0.904 -7.765 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.022 -3.374 -6.908 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.875 -2.320 -5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.133 -2.629 -5.558 1.00 0.00 H new ATOM 549 N GLN A 51 6.718 1.351 -7.249 1.00 0.00 N ATOM 550 CA GLN A 51 6.147 2.293 -8.186 1.00 0.00 C ATOM 551 C GLN A 51 4.792 2.781 -7.691 1.00 0.00 C ATOM 552 O GLN A 51 4.008 2.005 -7.143 1.00 0.00 O ATOM 553 CB GLN A 51 6.016 1.626 -9.563 1.00 0.00 C ATOM 554 CG GLN A 51 4.738 1.979 -10.295 1.00 0.00 C ATOM 555 CD GLN A 51 4.581 1.244 -11.601 1.00 0.00 C ATOM 556 OE1 GLN A 51 5.054 1.694 -12.643 1.00 0.00 O ATOM 557 NE2 GLN A 51 3.896 0.128 -11.565 1.00 0.00 N ATOM 0 H GLN A 51 6.035 0.870 -6.664 1.00 0.00 H new ATOM 0 HA GLN A 51 6.803 3.159 -8.272 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.868 1.915 -10.179 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.065 0.544 -9.438 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.886 1.754 -9.654 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.720 3.052 -10.485 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.520 -0.211 -10.680 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.738 -0.402 -12.422 1.00 0.00 H new ATOM 566 N VAL A 52 4.536 4.066 -7.870 1.00 0.00 N ATOM 567 CA VAL A 52 3.248 4.646 -7.538 1.00 0.00 C ATOM 568 C VAL A 52 2.847 5.622 -8.636 1.00 0.00 C ATOM 569 O VAL A 52 3.689 6.056 -9.425 1.00 0.00 O ATOM 570 CB VAL A 52 3.271 5.380 -6.179 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.968 6.724 -6.291 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.870 5.554 -5.630 1.00 0.00 C ATOM 0 H VAL A 52 5.211 4.732 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 52 2.524 3.835 -7.459 1.00 0.00 H new ATOM 0 HB VAL A 52 3.837 4.762 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.968 7.216 -5.318 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.996 6.574 -6.622 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.441 7.348 -7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.916 6.074 -4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.274 6.138 -6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.410 4.576 -5.490 1.00 0.00 H new ATOM 582 N PHE A 53 1.571 5.947 -8.704 1.00 0.00 N ATOM 583 CA PHE A 53 1.088 6.883 -9.706 1.00 0.00 C ATOM 584 C PHE A 53 0.925 8.273 -9.083 1.00 0.00 C ATOM 585 O PHE A 53 1.819 8.723 -8.364 1.00 0.00 O ATOM 586 CB PHE A 53 -0.213 6.365 -10.325 1.00 0.00 C ATOM 587 CG PHE A 53 -0.105 4.942 -10.819 1.00 0.00 C ATOM 588 CD1 PHE A 53 1.072 4.473 -11.391 1.00 0.00 C ATOM 589 CD2 PHE A 53 -1.170 4.068 -10.687 1.00 0.00 C ATOM 590 CE1 PHE A 53 1.177 3.165 -11.822 1.00 0.00 C ATOM 591 CE2 PHE A 53 -1.068 2.757 -11.115 1.00 0.00 C ATOM 592 CZ PHE A 53 0.106 2.306 -11.682 1.00 0.00 C ATOM 0 H PHE A 53 0.851 5.580 -8.082 1.00 0.00 H new ATOM 0 HA PHE A 53 1.816 6.970 -10.513 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.011 6.428 -9.585 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.497 7.012 -11.155 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.915 5.140 -11.500 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.092 4.414 -10.244 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.096 2.815 -12.268 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.907 2.086 -11.005 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.187 1.282 -12.016 1.00 0.00 H new ATOM 602 N ASP A 54 -0.181 8.968 -9.344 1.00 0.00 N ATOM 603 CA ASP A 54 -0.389 10.288 -8.730 1.00 0.00 C ATOM 604 C ASP A 54 -1.826 10.506 -8.248 1.00 0.00 C ATOM 605 O ASP A 54 -2.057 11.166 -7.236 1.00 0.00 O ATOM 606 CB ASP A 54 -0.013 11.380 -9.725 1.00 0.00 C ATOM 607 CG ASP A 54 0.094 12.749 -9.080 1.00 0.00 C ATOM 608 OD1 ASP A 54 1.177 13.081 -8.550 1.00 0.00 O ATOM 609 OD2 ASP A 54 -0.896 13.507 -9.103 1.00 0.00 O ATOM 0 H ASP A 54 -0.932 8.654 -9.959 1.00 0.00 H new ATOM 0 HA ASP A 54 0.252 10.333 -7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.939 11.128 -10.192 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.759 11.414 -10.519 1.00 0.00 H new ATOM 614 N ASN A 55 -2.778 9.936 -8.955 1.00 0.00 N ATOM 615 CA ASN A 55 -4.190 10.184 -8.700 1.00 0.00 C ATOM 616 C ASN A 55 -4.795 9.034 -7.929 1.00 0.00 C ATOM 617 O ASN A 55 -5.995 9.015 -7.654 1.00 0.00 O ATOM 618 CB ASN A 55 -4.953 10.388 -10.011 1.00 0.00 C ATOM 619 CG ASN A 55 -4.578 11.678 -10.706 1.00 0.00 C ATOM 620 OD1 ASN A 55 -5.191 12.721 -10.478 1.00 0.00 O ATOM 621 ND2 ASN A 55 -3.573 11.619 -11.560 1.00 0.00 N ATOM 0 H ASN A 55 -2.601 9.288 -9.722 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.271 11.094 -8.105 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.754 9.549 -10.678 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.024 10.387 -9.808 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.278 12.458 -12.059 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.091 10.734 -11.720 1.00 0.00 H new ATOM 628 N THR A 56 -3.966 8.059 -7.598 1.00 0.00 N ATOM 629 CA THR A 56 -4.416 6.932 -6.823 1.00 0.00 C ATOM 630 C THR A 56 -4.338 7.295 -5.362 1.00 0.00 C ATOM 631 O THR A 56 -3.495 8.109 -4.998 1.00 0.00 O ATOM 632 CB THR A 56 -3.556 5.688 -7.094 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.186 5.943 -6.748 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.632 5.301 -8.552 1.00 0.00 C ATOM 0 H THR A 56 -2.980 8.031 -7.857 1.00 0.00 H new ATOM 0 HA THR A 56 -5.442 6.695 -7.106 1.00 0.00 H new ATOM 0 HB THR A 56 -3.940 4.872 -6.482 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.599 5.406 -7.320 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.017 4.418 -8.727 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.666 5.081 -8.817 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.267 6.124 -9.166 1.00 0.00 H new ATOM 642 N PRO A 57 -5.194 6.742 -4.502 1.00 0.00 N ATOM 643 CA PRO A 57 -5.207 7.124 -3.095 1.00 0.00 C ATOM 644 C PRO A 57 -3.822 7.001 -2.479 1.00 0.00 C ATOM 645 O PRO A 57 -3.385 7.868 -1.723 1.00 0.00 O ATOM 646 CB PRO A 57 -6.181 6.135 -2.447 1.00 0.00 C ATOM 647 CG PRO A 57 -6.424 5.070 -3.471 1.00 0.00 C ATOM 648 CD PRO A 57 -6.186 5.703 -4.809 1.00 0.00 C ATOM 0 HA PRO A 57 -5.505 8.163 -2.951 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.759 5.712 -1.535 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.112 6.629 -2.168 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.754 4.224 -3.317 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.442 4.687 -3.399 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.808 4.984 -5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.100 6.126 -5.225 1.00 0.00 H new ATOM 656 N ALA A 58 -3.135 5.931 -2.859 1.00 0.00 N ATOM 657 CA ALA A 58 -1.768 5.672 -2.429 1.00 0.00 C ATOM 658 C ALA A 58 -0.833 6.799 -2.821 1.00 0.00 C ATOM 659 O ALA A 58 -0.005 7.240 -2.029 1.00 0.00 O ATOM 660 CB ALA A 58 -1.268 4.401 -3.065 1.00 0.00 C ATOM 0 H ALA A 58 -3.514 5.214 -3.478 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.779 5.586 -1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.245 4.210 -2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.905 3.569 -2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.292 4.503 -4.150 1.00 0.00 H new ATOM 666 N ALA A 59 -0.941 7.238 -4.059 1.00 0.00 N ATOM 667 CA ALA A 59 -0.088 8.300 -4.538 1.00 0.00 C ATOM 668 C ALA A 59 -0.511 9.631 -3.952 1.00 0.00 C ATOM 669 O ALA A 59 0.269 10.307 -3.280 1.00 0.00 O ATOM 670 CB ALA A 59 -0.150 8.368 -6.042 1.00 0.00 C ATOM 0 H ALA A 59 -1.605 6.878 -4.744 1.00 0.00 H new ATOM 0 HA ALA A 59 0.934 8.089 -4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.496 9.171 -6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.185 7.420 -6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.176 8.562 -6.355 1.00 0.00 H new ATOM 676 N LEU A 60 -1.760 9.979 -4.216 1.00 0.00 N ATOM 677 CA LEU A 60 -2.281 11.303 -3.904 1.00 0.00 C ATOM 678 C LEU A 60 -2.076 11.749 -2.449 1.00 0.00 C ATOM 679 O LEU A 60 -1.193 12.561 -2.168 1.00 0.00 O ATOM 680 CB LEU A 60 -3.737 11.400 -4.347 1.00 0.00 C ATOM 681 CG LEU A 60 -4.824 10.721 -3.545 1.00 0.00 C ATOM 682 CD1 LEU A 60 -5.437 11.749 -2.628 1.00 0.00 C ATOM 683 CD2 LEU A 60 -5.864 10.167 -4.486 1.00 0.00 C ATOM 0 H LEU A 60 -2.440 9.356 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.685 12.016 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.989 12.459 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.792 11.008 -5.363 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.418 9.898 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.226 11.285 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.671 12.146 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.858 12.561 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.650 9.676 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.295 10.979 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.400 9.444 -5.157 1.00 0.00 H new ATOM 695 N ASP A 61 -2.861 11.231 -1.536 1.00 0.00 N ATOM 696 CA ASP A 61 -2.736 11.584 -0.128 1.00 0.00 C ATOM 697 C ASP A 61 -1.891 10.545 0.550 1.00 0.00 C ATOM 698 O ASP A 61 -1.362 10.740 1.644 1.00 0.00 O ATOM 699 CB ASP A 61 -4.112 11.667 0.531 1.00 0.00 C ATOM 700 CG ASP A 61 -4.051 12.212 1.944 1.00 0.00 C ATOM 701 OD1 ASP A 61 -3.959 13.449 2.107 1.00 0.00 O ATOM 702 OD2 ASP A 61 -4.109 11.415 2.899 1.00 0.00 O ATOM 0 H ASP A 61 -3.601 10.558 -1.737 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.265 12.563 -0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.761 12.302 -0.071 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.563 10.675 0.548 1.00 0.00 H new ATOM 707 N GLY A 62 -1.767 9.442 -0.156 1.00 0.00 N ATOM 708 CA GLY A 62 -1.178 8.237 0.415 1.00 0.00 C ATOM 709 C GLY A 62 0.259 8.417 0.861 1.00 0.00 C ATOM 710 O GLY A 62 0.665 7.877 1.888 1.00 0.00 O ATOM 0 H GLY A 62 -2.064 9.349 -1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.777 7.919 1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.223 7.436 -0.323 1.00 0.00 H new ATOM 714 N THR A 63 1.021 9.168 0.077 1.00 0.00 N ATOM 715 CA THR A 63 2.435 9.448 0.354 1.00 0.00 C ATOM 716 C THR A 63 3.224 8.175 0.595 1.00 0.00 C ATOM 717 O THR A 63 4.117 8.102 1.439 1.00 0.00 O ATOM 718 CB THR A 63 2.607 10.444 1.510 1.00 0.00 C ATOM 719 OG1 THR A 63 1.933 10.000 2.700 1.00 0.00 O ATOM 720 CG2 THR A 63 2.042 11.765 1.062 1.00 0.00 C ATOM 0 H THR A 63 0.678 9.606 -0.778 1.00 0.00 H new ATOM 0 HA THR A 63 2.844 9.919 -0.540 1.00 0.00 H new ATOM 0 HB THR A 63 3.665 10.532 1.757 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.744 9.041 2.630 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.149 12.497 1.863 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.581 12.111 0.180 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.986 11.645 0.818 1.00 0.00 H new ATOM 728 N VAL A 64 2.865 7.185 -0.183 1.00 0.00 N ATOM 729 CA VAL A 64 3.541 5.895 -0.188 1.00 0.00 C ATOM 730 C VAL A 64 4.136 5.637 -1.542 1.00 0.00 C ATOM 731 O VAL A 64 3.890 4.628 -2.199 1.00 0.00 O ATOM 732 CB VAL A 64 2.635 4.750 0.256 1.00 0.00 C ATOM 733 CG1 VAL A 64 2.419 4.910 1.731 1.00 0.00 C ATOM 734 CG2 VAL A 64 1.313 4.748 -0.495 1.00 0.00 C ATOM 0 H VAL A 64 2.088 7.244 -0.841 1.00 0.00 H new ATOM 0 HA VAL A 64 4.343 5.939 0.549 1.00 0.00 H new ATOM 0 HB VAL A 64 3.105 3.792 0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.774 4.109 2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.378 4.864 2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.947 5.873 1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.699 3.917 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.790 5.687 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.501 4.639 -1.563 1.00 0.00 H new ATOM 744 N ALA A 65 4.917 6.602 -1.941 1.00 0.00 N ATOM 745 CA ALA A 65 5.439 6.671 -3.293 1.00 0.00 C ATOM 746 C ALA A 65 6.701 5.837 -3.454 1.00 0.00 C ATOM 747 O ALA A 65 7.289 5.383 -2.471 1.00 0.00 O ATOM 748 CB ALA A 65 5.699 8.119 -3.679 1.00 0.00 C ATOM 0 H ALA A 65 5.216 7.371 -1.340 1.00 0.00 H new ATOM 0 HA ALA A 65 4.688 6.253 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.091 8.160 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.767 8.683 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.426 8.554 -2.993 1.00 0.00 H new ATOM 754 N ALA A 66 7.109 5.655 -4.706 1.00 0.00 N ATOM 755 CA ALA A 66 8.204 4.758 -5.063 1.00 0.00 C ATOM 756 C ALA A 66 9.464 5.010 -4.238 1.00 0.00 C ATOM 757 O ALA A 66 9.900 6.151 -4.074 1.00 0.00 O ATOM 758 CB ALA A 66 8.511 4.897 -6.543 1.00 0.00 C ATOM 0 H ALA A 66 6.688 6.128 -5.506 1.00 0.00 H new ATOM 0 HA ALA A 66 7.880 3.741 -4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.329 4.227 -6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.626 4.638 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.799 5.926 -6.760 1.00 0.00 H new ATOM 764 N GLY A 67 10.035 3.934 -3.713 1.00 0.00 N ATOM 765 CA GLY A 67 11.271 4.041 -2.966 1.00 0.00 C ATOM 766 C GLY A 67 11.048 4.054 -1.469 1.00 0.00 C ATOM 767 O GLY A 67 11.996 4.194 -0.694 1.00 0.00 O ATOM 0 H GLY A 67 9.663 2.988 -3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.921 3.206 -3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.791 4.953 -3.260 1.00 0.00 H new ATOM 771 N ASP A 68 9.796 3.914 -1.055 1.00 0.00 N ATOM 772 CA ASP A 68 9.476 3.892 0.366 1.00 0.00 C ATOM 773 C ASP A 68 9.506 2.463 0.887 1.00 0.00 C ATOM 774 O ASP A 68 9.535 1.509 0.102 1.00 0.00 O ATOM 775 CB ASP A 68 8.107 4.515 0.635 1.00 0.00 C ATOM 776 CG ASP A 68 8.067 5.245 1.961 1.00 0.00 C ATOM 777 OD1 ASP A 68 8.037 4.584 3.014 1.00 0.00 O ATOM 778 OD2 ASP A 68 8.090 6.495 1.956 1.00 0.00 O ATOM 0 H ASP A 68 8.993 3.815 -1.676 1.00 0.00 H new ATOM 0 HA ASP A 68 10.228 4.483 0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.860 5.209 -0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.346 3.735 0.627 1.00 0.00 H new ATOM 783 N GLU A 69 9.479 2.325 2.203 1.00 0.00 N ATOM 784 CA GLU A 69 9.624 1.032 2.852 1.00 0.00 C ATOM 785 C GLU A 69 8.303 0.604 3.479 1.00 0.00 C ATOM 786 O GLU A 69 8.024 0.913 4.639 1.00 0.00 O ATOM 787 CB GLU A 69 10.719 1.114 3.919 1.00 0.00 C ATOM 788 CG GLU A 69 11.838 0.103 3.740 1.00 0.00 C ATOM 789 CD GLU A 69 11.460 -1.288 4.203 1.00 0.00 C ATOM 790 OE1 GLU A 69 10.805 -2.024 3.439 1.00 0.00 O ATOM 791 OE2 GLU A 69 11.826 -1.652 5.342 1.00 0.00 O ATOM 0 H GLU A 69 9.356 3.104 2.850 1.00 0.00 H new ATOM 0 HA GLU A 69 9.907 0.288 2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.146 2.117 3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.267 0.969 4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.121 0.065 2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.715 0.438 4.294 1.00 0.00 H new ATOM 798 N ILE A 70 7.488 -0.094 2.703 1.00 0.00 N ATOM 799 CA ILE A 70 6.189 -0.550 3.174 1.00 0.00 C ATOM 800 C ILE A 70 6.360 -1.779 4.056 1.00 0.00 C ATOM 801 O ILE A 70 6.711 -2.858 3.579 1.00 0.00 O ATOM 802 CB ILE A 70 5.237 -0.892 2.008 1.00 0.00 C ATOM 803 CG1 ILE A 70 5.241 0.219 0.955 1.00 0.00 C ATOM 804 CG2 ILE A 70 3.823 -1.133 2.523 1.00 0.00 C ATOM 805 CD1 ILE A 70 4.846 1.576 1.487 1.00 0.00 C ATOM 0 H ILE A 70 7.704 -0.358 1.742 1.00 0.00 H new ATOM 0 HA ILE A 70 5.746 0.266 3.744 1.00 0.00 H new ATOM 0 HB ILE A 70 5.595 -1.808 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.238 0.288 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.559 -0.056 0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.167 -1.373 1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.829 -1.964 3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.460 -0.235 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.874 2.306 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.837 1.527 1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.541 1.876 2.271 1.00 0.00 H new ATOM 817 N THR A 71 6.118 -1.608 5.344 1.00 0.00 N ATOM 818 CA THR A 71 6.334 -2.670 6.305 1.00 0.00 C ATOM 819 C THR A 71 5.010 -3.329 6.707 1.00 0.00 C ATOM 820 O THR A 71 4.991 -4.358 7.388 1.00 0.00 O ATOM 821 CB THR A 71 7.074 -2.129 7.555 1.00 0.00 C ATOM 822 OG1 THR A 71 7.523 -3.208 8.383 1.00 0.00 O ATOM 823 CG2 THR A 71 6.183 -1.197 8.365 1.00 0.00 C ATOM 0 H THR A 71 5.770 -0.738 5.748 1.00 0.00 H new ATOM 0 HA THR A 71 6.958 -3.429 5.833 1.00 0.00 H new ATOM 0 HB THR A 71 7.938 -1.564 7.205 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.950 -3.990 8.240 1.00 0.00 H new ATOM 0 HG21 THR A 71 6.731 -0.835 9.235 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.884 -0.351 7.746 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.296 -1.737 8.695 1.00 0.00 H new ATOM 831 N GLY A 72 3.895 -2.754 6.263 1.00 0.00 N ATOM 832 CA GLY A 72 2.605 -3.313 6.608 1.00 0.00 C ATOM 833 C GLY A 72 1.534 -3.036 5.574 1.00 0.00 C ATOM 834 O GLY A 72 1.394 -1.909 5.095 1.00 0.00 O ATOM 0 H GLY A 72 3.864 -1.920 5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.707 -4.391 6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.286 -2.907 7.568 1.00 0.00 H new ATOM 838 N VAL A 73 0.769 -4.071 5.261 1.00 0.00 N ATOM 839 CA VAL A 73 -0.308 -4.006 4.312 1.00 0.00 C ATOM 840 C VAL A 73 -1.635 -3.967 5.061 1.00 0.00 C ATOM 841 O VAL A 73 -1.930 -4.865 5.846 1.00 0.00 O ATOM 842 CB VAL A 73 -0.272 -5.241 3.379 1.00 0.00 C ATOM 843 CG1 VAL A 73 0.335 -6.443 4.083 1.00 0.00 C ATOM 844 CG2 VAL A 73 -1.661 -5.603 2.948 1.00 0.00 C ATOM 0 H VAL A 73 0.891 -4.995 5.675 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.200 -3.106 3.707 1.00 0.00 H new ATOM 0 HB VAL A 73 0.339 -4.980 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.347 -7.295 3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.355 -6.209 4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.261 -6.689 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.623 -6.473 2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.265 -5.836 3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.106 -4.764 2.413 1.00 0.00 H new ATOM 854 N ASN A 74 -2.410 -2.913 4.848 1.00 0.00 N ATOM 855 CA ASN A 74 -3.723 -2.776 5.476 1.00 0.00 C ATOM 856 C ASN A 74 -3.604 -2.899 7.001 1.00 0.00 C ATOM 857 O ASN A 74 -4.485 -3.422 7.683 1.00 0.00 O ATOM 858 CB ASN A 74 -4.698 -3.815 4.895 1.00 0.00 C ATOM 859 CG ASN A 74 -6.128 -3.606 5.354 1.00 0.00 C ATOM 860 OD1 ASN A 74 -6.511 -2.505 5.750 1.00 0.00 O ATOM 861 ND2 ASN A 74 -6.944 -4.646 5.249 1.00 0.00 N ATOM 0 H ASN A 74 -2.153 -2.134 4.242 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.122 -1.785 5.258 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.661 -3.771 3.807 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.371 -4.814 5.185 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.928 -4.550 5.501 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.588 -5.542 4.917 1.00 0.00 H new ATOM 868 N GLY A 75 -2.475 -2.433 7.523 1.00 0.00 N ATOM 869 CA GLY A 75 -2.261 -2.420 8.956 1.00 0.00 C ATOM 870 C GLY A 75 -1.508 -3.638 9.465 1.00 0.00 C ATOM 871 O GLY A 75 -0.907 -3.589 10.535 1.00 0.00 O ATOM 0 H GLY A 75 -1.700 -2.062 6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.707 -1.521 9.225 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.226 -2.362 9.459 1.00 0.00 H new ATOM 875 N ARG A 76 -1.521 -4.721 8.699 1.00 0.00 N ATOM 876 CA ARG A 76 -0.874 -5.942 9.097 1.00 0.00 C ATOM 877 C ARG A 76 0.383 -6.177 8.263 1.00 0.00 C ATOM 878 O ARG A 76 0.386 -5.942 7.064 1.00 0.00 O ATOM 879 CB ARG A 76 -1.879 -7.078 8.945 1.00 0.00 C ATOM 880 CG ARG A 76 -2.784 -6.962 7.729 1.00 0.00 C ATOM 881 CD ARG A 76 -4.005 -7.866 7.833 1.00 0.00 C ATOM 882 NE ARG A 76 -3.654 -9.281 7.962 1.00 0.00 N ATOM 883 CZ ARG A 76 -4.375 -10.275 7.441 1.00 0.00 C ATOM 884 NH1 ARG A 76 -5.465 -10.010 6.729 1.00 0.00 N ATOM 885 NH2 ARG A 76 -4.000 -11.535 7.621 1.00 0.00 N ATOM 0 H ARG A 76 -1.981 -4.767 7.790 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.552 -5.886 10.137 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.336 -8.021 8.889 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.499 -7.120 9.841 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.108 -5.927 7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.220 -7.218 6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.602 -7.565 8.694 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.628 -7.730 6.949 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.809 -9.521 8.480 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.754 -9.043 6.579 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.013 -10.773 6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.159 -11.745 8.159 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.553 -12.294 7.222 1.00 0.00 H new ATOM 899 N SER A 77 1.450 -6.627 8.912 1.00 0.00 N ATOM 900 CA SER A 77 2.758 -6.752 8.269 1.00 0.00 C ATOM 901 C SER A 77 2.714 -7.694 7.066 1.00 0.00 C ATOM 902 O SER A 77 2.032 -8.722 7.091 1.00 0.00 O ATOM 903 CB SER A 77 3.787 -7.261 9.283 1.00 0.00 C ATOM 904 OG SER A 77 5.104 -7.193 8.756 1.00 0.00 O ATOM 0 H SER A 77 1.437 -6.914 9.891 1.00 0.00 H new ATOM 0 HA SER A 77 3.045 -5.764 7.909 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.726 -6.668 10.195 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.554 -8.290 9.556 1.00 0.00 H new ATOM 0 HG SER A 77 5.219 -6.349 8.272 1.00 0.00 H new ATOM 910 N ILE A 78 3.469 -7.338 6.019 1.00 0.00 N ATOM 911 CA ILE A 78 3.579 -8.175 4.825 1.00 0.00 C ATOM 912 C ILE A 78 4.470 -9.355 5.151 1.00 0.00 C ATOM 913 O ILE A 78 4.421 -10.403 4.507 1.00 0.00 O ATOM 914 CB ILE A 78 4.199 -7.440 3.599 1.00 0.00 C ATOM 915 CG1 ILE A 78 5.713 -7.217 3.768 1.00 0.00 C ATOM 916 CG2 ILE A 78 3.505 -6.113 3.335 1.00 0.00 C ATOM 917 CD1 ILE A 78 6.094 -6.170 4.796 1.00 0.00 C ATOM 0 H ILE A 78 4.012 -6.475 5.978 1.00 0.00 H new ATOM 0 HA ILE A 78 2.566 -8.470 4.553 1.00 0.00 H new ATOM 0 HB ILE A 78 4.045 -8.090 2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.176 -8.164 4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.133 -6.928 2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.963 -5.628 2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.448 -6.289 3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.605 -5.470 4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.180 -6.085 4.843 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.666 -5.209 4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.710 -6.463 5.773 1.00 0.00 H new ATOM 929 N LYS A 79 5.289 -9.138 6.173 1.00 0.00 N ATOM 930 CA LYS A 79 6.259 -10.102 6.628 1.00 0.00 C ATOM 931 C LYS A 79 5.551 -11.334 7.154 1.00 0.00 C ATOM 932 O LYS A 79 5.044 -11.348 8.276 1.00 0.00 O ATOM 933 CB LYS A 79 7.123 -9.447 7.707 1.00 0.00 C ATOM 934 CG LYS A 79 8.192 -10.348 8.303 1.00 0.00 C ATOM 935 CD LYS A 79 9.185 -9.568 9.162 1.00 0.00 C ATOM 936 CE LYS A 79 8.542 -8.947 10.399 1.00 0.00 C ATOM 937 NZ LYS A 79 7.791 -7.695 10.099 1.00 0.00 N ATOM 0 H LYS A 79 5.291 -8.271 6.711 1.00 0.00 H new ATOM 0 HA LYS A 79 6.901 -10.419 5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.606 -8.567 7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.474 -9.098 8.510 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.718 -11.121 8.908 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.727 -10.855 7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.990 -10.234 9.473 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.638 -8.780 8.560 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.864 -9.671 10.852 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.317 -8.732 11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.009 -6.978 10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.070 -7.339 9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.770 -7.893 10.105 1.00 0.00 H new ATOM 951 N GLY A 80 5.488 -12.350 6.319 1.00 0.00 N ATOM 952 CA GLY A 80 4.779 -13.550 6.669 1.00 0.00 C ATOM 953 C GLY A 80 4.108 -14.178 5.472 1.00 0.00 C ATOM 954 O GLY A 80 3.972 -15.400 5.410 1.00 0.00 O ATOM 0 H GLY A 80 5.921 -12.363 5.395 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.472 -14.265 7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.029 -13.321 7.426 1.00 0.00 H new ATOM 958 N LYS A 81 3.696 -13.366 4.497 1.00 0.00 N ATOM 959 CA LYS A 81 3.043 -13.924 3.327 1.00 0.00 C ATOM 960 C LYS A 81 3.749 -13.484 2.053 1.00 0.00 C ATOM 961 O LYS A 81 4.977 -13.424 2.010 1.00 0.00 O ATOM 962 CB LYS A 81 1.540 -13.590 3.284 1.00 0.00 C ATOM 963 CG LYS A 81 1.199 -12.110 3.275 1.00 0.00 C ATOM 964 CD LYS A 81 1.349 -11.476 4.645 1.00 0.00 C ATOM 965 CE LYS A 81 0.122 -11.694 5.533 1.00 0.00 C ATOM 966 NZ LYS A 81 -0.126 -13.127 5.855 1.00 0.00 N ATOM 0 H LYS A 81 3.801 -12.351 4.497 1.00 0.00 H new ATOM 0 HA LYS A 81 3.118 -15.009 3.399 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.109 -14.050 2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.058 -14.051 4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.847 -11.595 2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.175 -11.978 2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.228 -11.890 5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.523 -10.406 4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.251 -11.137 6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.756 -11.284 5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.743 -13.194 6.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.587 -13.590 5.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.779 -13.599 6.055 1.00 0.00 H new ATOM 980 N THR A 82 2.982 -13.160 1.030 1.00 0.00 N ATOM 981 CA THR A 82 3.544 -12.950 -0.292 1.00 0.00 C ATOM 982 C THR A 82 2.858 -11.788 -0.995 1.00 0.00 C ATOM 983 O THR A 82 1.755 -11.405 -0.615 1.00 0.00 O ATOM 984 CB THR A 82 3.404 -14.221 -1.159 1.00 0.00 C ATOM 985 OG1 THR A 82 3.610 -15.391 -0.356 1.00 0.00 O ATOM 986 CG2 THR A 82 4.407 -14.217 -2.304 1.00 0.00 C ATOM 0 H THR A 82 1.971 -13.037 1.087 1.00 0.00 H new ATOM 0 HA THR A 82 4.601 -12.718 -0.164 1.00 0.00 H new ATOM 0 HB THR A 82 2.397 -14.232 -1.575 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.784 -15.608 0.124 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.285 -15.123 -2.897 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.236 -13.345 -2.935 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.419 -14.180 -1.901 1.00 0.00 H new ATOM 994 N LYS A 83 3.519 -11.232 -1.999 1.00 0.00 N ATOM 995 CA LYS A 83 2.976 -10.126 -2.788 1.00 0.00 C ATOM 996 C LYS A 83 1.554 -10.436 -3.253 1.00 0.00 C ATOM 997 O LYS A 83 0.628 -9.656 -3.031 1.00 0.00 O ATOM 998 CB LYS A 83 3.861 -9.848 -4.007 1.00 0.00 C ATOM 999 CG LYS A 83 5.218 -10.531 -3.952 1.00 0.00 C ATOM 1000 CD LYS A 83 6.185 -9.968 -4.986 1.00 0.00 C ATOM 1001 CE LYS A 83 5.662 -10.113 -6.409 1.00 0.00 C ATOM 1002 NZ LYS A 83 5.426 -11.532 -6.783 1.00 0.00 N ATOM 0 H LYS A 83 4.448 -11.532 -2.293 1.00 0.00 H new ATOM 0 HA LYS A 83 2.955 -9.242 -2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.337 -10.174 -4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.010 -8.772 -4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.643 -10.412 -2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.092 -11.601 -4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.366 -8.914 -4.774 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.143 -10.480 -4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.732 -9.554 -6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.377 -9.671 -7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.185 -11.589 -7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.286 -12.087 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.641 -11.914 -6.218 1.00 0.00 H new ATOM 1016 N VAL A 84 1.392 -11.584 -3.886 1.00 0.00 N ATOM 1017 CA VAL A 84 0.100 -12.027 -4.360 1.00 0.00 C ATOM 1018 C VAL A 84 -0.952 -12.031 -3.238 1.00 0.00 C ATOM 1019 O VAL A 84 -2.105 -11.649 -3.452 1.00 0.00 O ATOM 1020 CB VAL A 84 0.234 -13.426 -4.988 1.00 0.00 C ATOM 1021 CG1 VAL A 84 0.804 -14.425 -3.998 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -1.097 -13.890 -5.505 1.00 0.00 C ATOM 0 H VAL A 84 2.154 -12.233 -4.084 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.246 -11.322 -5.116 1.00 0.00 H new ATOM 0 HB VAL A 84 0.931 -13.358 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.885 -15.402 -4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.792 -14.095 -3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.145 -14.496 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.990 -14.881 -5.947 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.811 -13.934 -4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.457 -13.192 -6.261 1.00 0.00 H new ATOM 1032 N GLU A 85 -0.540 -12.429 -2.040 1.00 0.00 N ATOM 1033 CA GLU A 85 -1.438 -12.494 -0.897 1.00 0.00 C ATOM 1034 C GLU A 85 -1.720 -11.108 -0.326 1.00 0.00 C ATOM 1035 O GLU A 85 -2.847 -10.813 0.062 1.00 0.00 O ATOM 1036 CB GLU A 85 -0.839 -13.383 0.191 1.00 0.00 C ATOM 1037 CG GLU A 85 -0.445 -14.764 -0.301 1.00 0.00 C ATOM 1038 CD GLU A 85 0.103 -15.643 0.804 1.00 0.00 C ATOM 1039 OE1 GLU A 85 -0.684 -16.098 1.659 1.00 0.00 O ATOM 1040 OE2 GLU A 85 1.328 -15.880 0.825 1.00 0.00 O ATOM 0 H GLU A 85 0.418 -12.713 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.381 -12.919 -1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.040 -12.891 0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.561 -13.487 1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.314 -15.248 -0.748 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.304 -14.665 -1.087 1.00 0.00 H new ATOM 1047 N VAL A 86 -0.699 -10.259 -0.275 1.00 0.00 N ATOM 1048 CA VAL A 86 -0.845 -8.937 0.323 1.00 0.00 C ATOM 1049 C VAL A 86 -1.731 -8.032 -0.534 1.00 0.00 C ATOM 1050 O VAL A 86 -2.531 -7.261 -0.012 1.00 0.00 O ATOM 1051 CB VAL A 86 0.518 -8.261 0.599 1.00 0.00 C ATOM 1052 CG1 VAL A 86 1.338 -9.079 1.582 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.325 -8.059 -0.659 1.00 0.00 C ATOM 0 H VAL A 86 0.233 -10.461 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.334 -9.086 1.286 1.00 0.00 H new ATOM 0 HB VAL A 86 0.293 -7.283 1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.292 -8.584 1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.795 -9.169 2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.516 -10.072 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.273 -7.581 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.517 -9.024 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.769 -7.425 -1.350 1.00 0.00 H new ATOM 1063 N ALA A 87 -1.573 -8.130 -1.847 1.00 0.00 N ATOM 1064 CA ALA A 87 -2.511 -7.514 -2.798 1.00 0.00 C ATOM 1065 C ALA A 87 -3.946 -7.918 -2.465 1.00 0.00 C ATOM 1066 O ALA A 87 -4.851 -7.085 -2.478 1.00 0.00 O ATOM 1067 CB ALA A 87 -2.184 -7.930 -4.218 1.00 0.00 C ATOM 0 H ALA A 87 -0.802 -8.632 -2.288 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.414 -6.431 -2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.890 -7.463 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.171 -7.612 -4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.256 -9.014 -4.305 1.00 0.00 H new ATOM 1073 N LYS A 88 -4.148 -9.205 -2.163 1.00 0.00 N ATOM 1074 CA LYS A 88 -5.462 -9.687 -1.751 1.00 0.00 C ATOM 1075 C LYS A 88 -5.901 -9.003 -0.472 1.00 0.00 C ATOM 1076 O LYS A 88 -7.026 -8.553 -0.365 1.00 0.00 O ATOM 1077 CB LYS A 88 -5.474 -11.191 -1.528 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.790 -11.676 -0.956 1.00 0.00 C ATOM 1079 CD LYS A 88 -6.892 -13.181 -1.010 1.00 0.00 C ATOM 1080 CE LYS A 88 -5.857 -13.835 -0.117 1.00 0.00 C ATOM 1081 NZ LYS A 88 -6.145 -13.613 1.326 1.00 0.00 N ATOM 0 H LYS A 88 -3.423 -9.922 -2.197 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.152 -9.450 -2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.282 -11.698 -2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.664 -11.462 -0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.886 -11.340 0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.616 -11.233 -1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.890 -13.491 -0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.756 -13.520 -2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.827 -14.905 -0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.870 -13.438 -0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.542 -14.236 1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.950 -12.621 1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.145 -13.826 1.517 1.00 0.00 H new ATOM 1095 N MET A 89 -4.999 -8.939 0.494 1.00 0.00 N ATOM 1096 CA MET A 89 -5.261 -8.275 1.765 1.00 0.00 C ATOM 1097 C MET A 89 -5.679 -6.825 1.534 1.00 0.00 C ATOM 1098 O MET A 89 -6.526 -6.280 2.243 1.00 0.00 O ATOM 1099 CB MET A 89 -4.009 -8.345 2.631 1.00 0.00 C ATOM 1100 CG MET A 89 -3.575 -9.770 2.935 1.00 0.00 C ATOM 1101 SD MET A 89 -1.882 -9.877 3.544 1.00 0.00 S ATOM 1102 CE MET A 89 -1.992 -8.878 5.020 1.00 0.00 C ATOM 0 H MET A 89 -4.066 -9.344 0.422 1.00 0.00 H new ATOM 0 HA MET A 89 -6.080 -8.780 2.277 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.196 -7.823 2.127 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.192 -7.819 3.568 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.249 -10.199 3.676 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.669 -10.373 2.032 1.00 0.00 H new ATOM 0 HE1 MET A 89 -1.101 -9.030 5.629 1.00 0.00 H new ATOM 0 HE2 MET A 89 -2.067 -7.826 4.743 1.00 0.00 H new ATOM 0 HE3 MET A 89 -2.875 -9.167 5.590 1.00 0.00 H new ATOM 1112 N ILE A 90 -5.087 -6.220 0.516 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.413 -4.862 0.118 1.00 0.00 C ATOM 1114 C ILE A 90 -6.775 -4.797 -0.587 1.00 0.00 C ATOM 1115 O ILE A 90 -7.478 -3.798 -0.493 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.311 -4.291 -0.800 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -3.020 -4.052 -0.012 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -4.757 -3.008 -1.477 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -3.158 -3.031 1.100 1.00 0.00 C ATOM 0 H ILE A 90 -4.366 -6.658 -0.057 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.472 -4.256 1.022 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.118 -5.031 -1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.687 -4.998 0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.242 -3.722 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.955 -2.636 -2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.641 -3.205 -2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.995 -2.261 -0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.202 -2.918 1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.460 -2.072 0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.912 -3.368 1.812 1.00 0.00 H new ATOM 1131 N GLN A 91 -7.146 -5.847 -1.310 1.00 0.00 N ATOM 1132 CA GLN A 91 -8.460 -5.914 -1.931 1.00 0.00 C ATOM 1133 C GLN A 91 -9.534 -6.395 -0.947 1.00 0.00 C ATOM 1134 O GLN A 91 -10.710 -6.060 -1.092 1.00 0.00 O ATOM 1135 CB GLN A 91 -8.412 -6.838 -3.144 1.00 0.00 C ATOM 1136 CG GLN A 91 -7.578 -6.293 -4.289 1.00 0.00 C ATOM 1137 CD GLN A 91 -7.405 -7.292 -5.414 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -8.307 -7.260 -6.379 1.00 0.00 O flip ATOM 1139 NE2 GLN A 91 -6.463 -8.084 -5.418 1.00 0.00 N flip ATOM 0 H GLN A 91 -6.556 -6.661 -1.480 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.731 -4.906 -2.246 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.009 -7.804 -2.839 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.428 -7.014 -3.497 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -8.049 -5.391 -4.679 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.597 -6.003 -3.912 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.787 -8.077 -4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -6.358 -8.748 -6.186 1.00 0.00 H new ATOM 1148 N GLU A 92 -9.104 -7.131 0.069 1.00 0.00 N ATOM 1149 CA GLU A 92 -10.000 -7.818 0.998 1.00 0.00 C ATOM 1150 C GLU A 92 -10.841 -6.842 1.799 1.00 0.00 C ATOM 1151 O GLU A 92 -12.021 -7.087 2.062 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.170 -8.705 1.924 1.00 0.00 C ATOM 1153 CG GLU A 92 -9.920 -9.219 3.136 1.00 0.00 C ATOM 1154 CD GLU A 92 -9.182 -10.338 3.834 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -8.217 -10.056 4.575 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -9.553 -11.513 3.630 1.00 0.00 O ATOM 0 H GLU A 92 -8.115 -7.271 0.276 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.694 -8.432 0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.798 -9.556 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.300 -8.143 2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.080 -8.399 3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.904 -9.572 2.829 1.00 0.00 H new ATOM 1163 N VAL A 93 -10.201 -5.755 2.191 1.00 0.00 N ATOM 1164 CA VAL A 93 -10.863 -4.618 2.849 1.00 0.00 C ATOM 1165 C VAL A 93 -12.260 -4.359 2.325 1.00 0.00 C ATOM 1166 O VAL A 93 -13.201 -4.187 3.100 1.00 0.00 O ATOM 1167 CB VAL A 93 -10.099 -3.308 2.607 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -8.881 -3.210 3.455 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -9.693 -3.180 1.164 1.00 0.00 C ATOM 0 H VAL A 93 -9.197 -5.625 2.065 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.891 -4.896 3.903 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.780 -2.500 2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.371 -2.268 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.166 -3.249 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.213 -4.041 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -9.154 -2.244 1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.048 -4.016 0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.582 -3.187 0.534 1.00 0.00 H new ATOM 1179 N LYS A 94 -12.374 -4.336 1.005 1.00 0.00 N ATOM 1180 CA LYS A 94 -13.514 -3.748 0.346 1.00 0.00 C ATOM 1181 C LYS A 94 -13.657 -2.288 0.779 1.00 0.00 C ATOM 1182 O LYS A 94 -14.354 -1.977 1.742 1.00 0.00 O ATOM 1183 CB LYS A 94 -14.795 -4.538 0.642 1.00 0.00 C ATOM 1184 CG LYS A 94 -14.757 -5.968 0.126 1.00 0.00 C ATOM 1185 CD LYS A 94 -16.054 -6.710 0.404 1.00 0.00 C ATOM 1186 CE LYS A 94 -16.290 -6.894 1.896 1.00 0.00 C ATOM 1187 NZ LYS A 94 -17.572 -7.592 2.172 1.00 0.00 N ATOM 0 H LYS A 94 -11.678 -4.725 0.369 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.354 -3.785 -0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.963 -4.553 1.719 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -15.643 -4.021 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -14.567 -5.961 -0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.928 -6.500 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -16.888 -6.160 -0.031 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -16.027 -7.685 -0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.466 -7.464 2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -16.294 -5.920 2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -17.696 -7.698 3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -18.361 -7.036 1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -17.559 -8.532 1.726 1.00 0.00 H new ATOM 1201 N GLY A 95 -12.919 -1.390 0.143 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.261 0.004 0.269 1.00 0.00 C ATOM 1203 C GLY A 95 -12.209 0.823 0.961 1.00 0.00 C ATOM 1204 O GLY A 95 -11.964 1.954 0.566 1.00 0.00 O ATOM 0 H GLY A 95 -12.110 -1.597 -0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.436 0.417 -0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.198 0.091 0.820 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.550 0.260 1.963 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.630 1.038 2.753 1.00 0.00 C ATOM 1210 C GLU A 96 -9.207 0.670 2.406 1.00 0.00 C ATOM 1211 O GLU A 96 -8.951 -0.276 1.667 1.00 0.00 O ATOM 1212 CB GLU A 96 -10.871 0.858 4.250 1.00 0.00 C ATOM 1213 CG GLU A 96 -10.476 -0.505 4.757 1.00 0.00 C ATOM 1214 CD GLU A 96 -10.569 -0.626 6.263 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -9.700 -0.070 6.966 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -11.513 -1.279 6.756 1.00 0.00 O ATOM 0 H GLU A 96 -11.638 -0.718 2.239 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.800 2.089 2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.311 1.617 4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.927 1.026 4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.117 -1.257 4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.455 -0.721 4.443 1.00 0.00 H new ATOM 1223 N VAL A 97 -8.307 1.430 2.955 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.920 1.372 2.625 1.00 0.00 C ATOM 1225 C VAL A 97 -6.070 1.844 3.805 1.00 0.00 C ATOM 1226 O VAL A 97 -6.319 2.904 4.376 1.00 0.00 O ATOM 1227 CB VAL A 97 -6.711 2.261 1.395 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -5.406 2.993 1.444 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -6.836 1.436 0.145 1.00 0.00 C ATOM 0 H VAL A 97 -8.528 2.127 3.666 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.612 0.350 2.405 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.489 3.025 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.301 3.610 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -5.378 3.628 2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.587 2.275 1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.687 2.072 -0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.083 0.648 0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.829 0.989 0.102 1.00 0.00 H new ATOM 1239 N THR A 98 -5.098 1.041 4.199 1.00 0.00 N ATOM 1240 CA THR A 98 -4.198 1.411 5.276 1.00 0.00 C ATOM 1241 C THR A 98 -2.776 0.960 4.957 1.00 0.00 C ATOM 1242 O THR A 98 -2.565 -0.155 4.482 1.00 0.00 O ATOM 1243 CB THR A 98 -4.665 0.807 6.615 1.00 0.00 C ATOM 1244 OG1 THR A 98 -5.996 1.254 6.904 1.00 0.00 O ATOM 1245 CG2 THR A 98 -3.738 1.208 7.751 1.00 0.00 C ATOM 0 H THR A 98 -4.912 0.126 3.788 1.00 0.00 H new ATOM 0 HA THR A 98 -4.208 2.497 5.371 1.00 0.00 H new ATOM 0 HB THR A 98 -4.647 -0.279 6.525 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.293 0.869 7.755 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.093 0.767 8.683 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.730 0.851 7.541 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.726 2.294 7.845 1.00 0.00 H new ATOM 1253 N ILE A 99 -1.807 1.830 5.198 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.418 1.523 4.889 1.00 0.00 C ATOM 1255 C ILE A 99 0.500 1.822 6.061 1.00 0.00 C ATOM 1256 O ILE A 99 0.317 2.810 6.767 1.00 0.00 O ATOM 1257 CB ILE A 99 0.112 2.286 3.650 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.514 3.685 3.512 1.00 0.00 C ATOM 1259 CG2 ILE A 99 -0.100 1.465 2.384 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -1.903 3.701 2.904 1.00 0.00 C ATOM 0 H ILE A 99 -1.956 2.753 5.606 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.409 0.455 4.671 1.00 0.00 H new ATOM 0 HB ILE A 99 1.182 2.433 3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.559 4.147 4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.143 4.303 2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.279 2.018 1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.434 0.518 2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.164 1.271 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.263 4.728 2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.867 3.272 1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.579 3.114 3.526 1.00 0.00 H new ATOM 1272 N HIS A 100 1.476 0.947 6.266 1.00 0.00 N ATOM 1273 CA HIS A 100 2.531 1.170 7.249 1.00 0.00 C ATOM 1274 C HIS A 100 3.868 1.255 6.527 1.00 0.00 C ATOM 1275 O HIS A 100 4.243 0.324 5.816 1.00 0.00 O ATOM 1276 CB HIS A 100 2.585 0.035 8.280 1.00 0.00 C ATOM 1277 CG HIS A 100 1.446 0.013 9.253 1.00 0.00 C ATOM 1278 ND1 HIS A 100 1.351 -0.918 10.266 1.00 0.00 N ATOM 1279 CD2 HIS A 100 0.358 0.809 9.375 1.00 0.00 C ATOM 1280 CE1 HIS A 100 0.255 -0.691 10.966 1.00 0.00 C ATOM 1281 NE2 HIS A 100 -0.364 0.349 10.445 1.00 0.00 N ATOM 0 H HIS A 100 1.560 0.066 5.759 1.00 0.00 H new ATOM 0 HA HIS A 100 2.319 2.099 7.778 1.00 0.00 H new ATOM 0 HB2 HIS A 100 2.610 -0.917 7.750 1.00 0.00 H new ATOM 0 HB3 HIS A 100 3.519 0.114 8.837 1.00 0.00 H new ATOM 0 HD2 HIS A 100 0.106 1.650 8.746 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -0.078 -1.261 11.821 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -1.240 0.748 10.784 1.00 0.00 H new ATOM 1290 N TYR A 101 4.576 2.358 6.696 1.00 0.00 N ATOM 1291 CA TYR A 101 5.836 2.558 5.996 1.00 0.00 C ATOM 1292 C TYR A 101 6.890 3.187 6.905 1.00 0.00 C ATOM 1293 O TYR A 101 6.566 3.825 7.907 1.00 0.00 O ATOM 1294 CB TYR A 101 5.617 3.414 4.741 1.00 0.00 C ATOM 1295 CG TYR A 101 4.924 4.742 4.988 1.00 0.00 C ATOM 1296 CD1 TYR A 101 3.538 4.838 4.986 1.00 0.00 C ATOM 1297 CD2 TYR A 101 5.658 5.900 5.206 1.00 0.00 C ATOM 1298 CE1 TYR A 101 2.905 6.050 5.195 1.00 0.00 C ATOM 1299 CE2 TYR A 101 5.033 7.113 5.419 1.00 0.00 C ATOM 1300 CZ TYR A 101 3.658 7.184 5.412 1.00 0.00 C ATOM 1301 OH TYR A 101 3.035 8.394 5.621 1.00 0.00 O ATOM 0 H TYR A 101 4.303 3.127 7.309 1.00 0.00 H new ATOM 0 HA TYR A 101 6.210 1.580 5.692 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.584 3.606 4.276 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.028 2.840 4.026 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.945 3.951 4.818 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.737 5.851 5.209 1.00 0.00 H new ATOM 0 HE1 TYR A 101 1.827 6.108 5.188 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.621 8.003 5.590 1.00 0.00 H new ATOM 0 HH TYR A 101 3.711 9.090 5.759 1.00 0.00 H new ATOM 1311 N ASN A 102 8.151 2.986 6.551 1.00 0.00 N ATOM 1312 CA ASN A 102 9.282 3.501 7.316 1.00 0.00 C ATOM 1313 C ASN A 102 10.343 4.006 6.347 1.00 0.00 C ATOM 1314 O ASN A 102 10.138 3.964 5.138 1.00 0.00 O ATOM 1315 CB ASN A 102 9.860 2.408 8.231 1.00 0.00 C ATOM 1316 CG ASN A 102 8.932 2.054 9.376 1.00 0.00 C ATOM 1317 OD1 ASN A 102 8.063 1.195 9.245 1.00 0.00 O ATOM 1318 ND2 ASN A 102 9.114 2.704 10.515 1.00 0.00 N ATOM 0 H ASN A 102 8.422 2.459 5.721 1.00 0.00 H new ATOM 0 HA ASN A 102 8.948 4.322 7.950 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.060 1.514 7.641 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.815 2.744 8.634 1.00 0.00 H new ATOM 0 HD21 ASN A 102 8.523 2.498 11.320 1.00 0.00 H new ATOM 0 HD22 ASN A 102 9.846 3.411 10.587 1.00 0.00 H new ATOM 1325 N LYS A 103 11.461 4.501 6.858 1.00 0.00 N ATOM 1326 CA LYS A 103 12.492 5.058 5.997 1.00 0.00 C ATOM 1327 C LYS A 103 13.698 4.140 5.929 1.00 0.00 C ATOM 1328 O LYS A 103 13.803 3.203 6.715 1.00 0.00 O ATOM 1329 CB LYS A 103 12.921 6.441 6.502 1.00 0.00 C ATOM 1330 CG LYS A 103 12.174 7.605 5.863 1.00 0.00 C ATOM 1331 CD LYS A 103 10.666 7.417 5.906 1.00 0.00 C ATOM 1332 CE LYS A 103 10.111 7.077 4.529 1.00 0.00 C ATOM 1333 NZ LYS A 103 8.648 6.841 4.558 1.00 0.00 N ATOM 0 H LYS A 103 11.676 4.528 7.855 1.00 0.00 H new ATOM 0 HA LYS A 103 12.074 5.157 4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 103 12.776 6.481 7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 103 13.988 6.566 6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 103 12.437 8.529 6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 103 12.495 7.715 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.417 6.621 6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.194 8.327 6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.332 7.891 3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.613 6.189 4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.239 7.080 3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.462 5.840 4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.215 7.437 5.292 1.00 0.00 H new ATOM 1347 N LEU A 104 14.573 4.427 4.962 1.00 0.00 N ATOM 1348 CA LEU A 104 15.899 3.809 4.820 1.00 0.00 C ATOM 1349 C LEU A 104 15.880 2.278 4.717 1.00 0.00 C ATOM 1350 O LEU A 104 15.492 1.553 5.632 1.00 0.00 O ATOM 1351 CB LEU A 104 16.874 4.307 5.908 1.00 0.00 C ATOM 1352 CG LEU A 104 16.424 4.143 7.362 1.00 0.00 C ATOM 1353 CD1 LEU A 104 16.829 2.790 7.909 1.00 0.00 C ATOM 1354 CD2 LEU A 104 16.967 5.264 8.230 1.00 0.00 C ATOM 0 H LEU A 104 14.376 5.114 4.235 1.00 0.00 H new ATOM 0 HA LEU A 104 16.272 4.144 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 104 17.820 3.781 5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 104 17.071 5.364 5.730 1.00 0.00 H new ATOM 0 HG LEU A 104 15.336 4.200 7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 104 16.496 2.701 8.943 1.00 0.00 H new ATOM 0 HD12 LEU A 104 16.369 2.003 7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 104 17.914 2.690 7.867 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.632 5.123 9.258 1.00 0.00 H new ATOM 0 HD22 LEU A 104 18.056 5.253 8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.603 6.221 7.858 1.00 0.00 H new ATOM 1366 N GLN A 105 16.302 1.804 3.560 1.00 0.00 N ATOM 1367 CA GLN A 105 16.521 0.387 3.328 1.00 0.00 C ATOM 1368 C GLN A 105 17.638 0.245 2.310 1.00 0.00 C ATOM 1369 O GLN A 105 17.683 -0.702 1.525 1.00 0.00 O ATOM 1370 CB GLN A 105 15.244 -0.288 2.816 1.00 0.00 C ATOM 1371 CG GLN A 105 14.964 -1.643 3.457 1.00 0.00 C ATOM 1372 CD GLN A 105 16.064 -2.658 3.222 1.00 0.00 C ATOM 1373 OE1 GLN A 105 16.030 -3.422 2.254 1.00 0.00 O ATOM 1374 NE2 GLN A 105 17.044 -2.682 4.112 1.00 0.00 N ATOM 0 H GLN A 105 16.504 2.392 2.751 1.00 0.00 H new ATOM 0 HA GLN A 105 16.796 -0.102 4.263 1.00 0.00 H new ATOM 0 HB2 GLN A 105 14.397 0.372 3.000 1.00 0.00 H new ATOM 0 HB3 GLN A 105 15.320 -0.416 1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.827 -1.508 4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 105 14.027 -2.036 3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 105 17.035 -2.033 4.899 1.00 0.00 H new ATOM 0 HE22 GLN A 105 17.808 -3.350 4.011 1.00 0.00 H new ATOM 1383 N ALA A 106 18.545 1.208 2.325 1.00 0.00 N ATOM 1384 CA ALA A 106 19.575 1.277 1.315 1.00 0.00 C ATOM 1385 C ALA A 106 20.897 0.720 1.803 1.00 0.00 C ATOM 1386 O ALA A 106 21.248 0.804 2.979 1.00 0.00 O ATOM 1387 CB ALA A 106 19.765 2.699 0.826 1.00 0.00 C ATOM 0 H ALA A 106 18.585 1.948 3.025 1.00 0.00 H new ATOM 0 HA ALA A 106 19.237 0.656 0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 106 20.546 2.721 0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 106 18.832 3.064 0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 106 20.054 3.336 1.662 1.00 0.00 H new ATOM 1393 N ASP A 107 21.612 0.168 0.853 1.00 0.00 N ATOM 1394 CA ASP A 107 22.935 -0.394 1.035 1.00 0.00 C ATOM 1395 C ASP A 107 23.604 -0.239 -0.307 1.00 0.00 C ATOM 1396 O ASP A 107 22.900 0.095 -1.239 1.00 0.00 O ATOM 1397 CB ASP A 107 22.853 -1.874 1.436 1.00 0.00 C ATOM 1398 CG ASP A 107 22.416 -2.073 2.874 1.00 0.00 C ATOM 1399 OD1 ASP A 107 23.230 -1.811 3.787 1.00 0.00 O ATOM 1400 OD2 ASP A 107 21.261 -2.491 3.100 1.00 0.00 O ATOM 0 H ASP A 107 21.278 0.093 -0.108 1.00 0.00 H new ATOM 0 HA ASP A 107 23.487 0.105 1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 107 22.154 -2.386 0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 107 23.828 -2.339 1.290 1.00 0.00 H new ATOM 1405 N PRO A 108 24.924 -0.447 -0.451 1.00 0.00 N ATOM 1406 CA PRO A 108 25.616 -0.322 -1.742 1.00 0.00 C ATOM 1407 C PRO A 108 24.748 -0.692 -2.953 1.00 0.00 C ATOM 1408 O PRO A 108 24.677 0.049 -3.935 1.00 0.00 O ATOM 1409 CB PRO A 108 26.748 -1.316 -1.570 1.00 0.00 C ATOM 1410 CG PRO A 108 27.136 -1.182 -0.136 1.00 0.00 C ATOM 1411 CD PRO A 108 25.881 -0.797 0.619 1.00 0.00 C ATOM 0 HA PRO A 108 25.919 0.704 -1.954 1.00 0.00 H new ATOM 0 HB2 PRO A 108 26.426 -2.331 -1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 108 27.583 -1.087 -2.232 1.00 0.00 H new ATOM 0 HG2 PRO A 108 27.544 -2.119 0.244 1.00 0.00 H new ATOM 0 HG3 PRO A 108 27.910 -0.424 -0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 108 25.514 -1.620 1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 108 26.059 0.044 1.289 1.00 0.00 H new ATOM 1419 N LYS A 109 24.060 -1.822 -2.851 1.00 0.00 N ATOM 1420 CA LYS A 109 23.183 -2.304 -3.919 1.00 0.00 C ATOM 1421 C LYS A 109 21.943 -1.427 -4.099 1.00 0.00 C ATOM 1422 O LYS A 109 21.597 -1.042 -5.209 1.00 0.00 O ATOM 1423 CB LYS A 109 22.736 -3.739 -3.631 1.00 0.00 C ATOM 1424 CG LYS A 109 22.018 -3.917 -2.297 1.00 0.00 C ATOM 1425 CD LYS A 109 21.481 -5.332 -2.132 1.00 0.00 C ATOM 1426 CE LYS A 109 22.603 -6.360 -2.093 1.00 0.00 C ATOM 1427 NZ LYS A 109 22.082 -7.750 -2.020 1.00 0.00 N ATOM 0 H LYS A 109 24.091 -2.430 -2.032 1.00 0.00 H new ATOM 0 HA LYS A 109 23.763 -2.264 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 109 22.075 -4.069 -4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 109 23.610 -4.390 -3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 109 22.704 -3.691 -1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 109 21.195 -3.205 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 109 20.898 -5.395 -1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 109 20.805 -5.563 -2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 109 23.225 -6.252 -2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 109 23.242 -6.167 -1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 22.878 -8.418 -1.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 21.510 -7.861 -1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 21.493 -7.944 -2.855 1.00 0.00 H new ATOM 1441 N GLN A 110 21.281 -1.123 -2.999 1.00 0.00 N ATOM 1442 CA GLN A 110 20.021 -0.407 -3.019 1.00 0.00 C ATOM 1443 C GLN A 110 20.249 1.091 -3.072 1.00 0.00 C ATOM 1444 O GLN A 110 19.331 1.871 -3.317 1.00 0.00 O ATOM 1445 CB GLN A 110 19.228 -0.773 -1.778 1.00 0.00 C ATOM 1446 CG GLN A 110 18.559 -2.120 -1.874 1.00 0.00 C ATOM 1447 CD GLN A 110 17.573 -2.199 -3.023 1.00 0.00 C ATOM 1448 OE1 GLN A 110 17.405 -3.247 -3.630 1.00 0.00 O ATOM 1449 NE2 GLN A 110 16.901 -1.092 -3.317 1.00 0.00 N ATOM 0 H GLN A 110 21.604 -1.367 -2.063 1.00 0.00 H new ATOM 0 HA GLN A 110 19.464 -0.690 -3.912 1.00 0.00 H new ATOM 0 HB2 GLN A 110 19.894 -0.766 -0.915 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.470 -0.010 -1.602 1.00 0.00 H new ATOM 0 HG2 GLN A 110 19.319 -2.891 -1.998 1.00 0.00 H new ATOM 0 HG3 GLN A 110 18.040 -2.332 -0.939 1.00 0.00 H new ATOM 0 HE21 GLN A 110 17.070 -0.237 -2.787 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.216 -1.097 -4.073 1.00 0.00 H new ATOM 1458 N LEU A 111 21.484 1.467 -2.847 1.00 0.00 N ATOM 1459 CA LEU A 111 21.890 2.850 -2.818 1.00 0.00 C ATOM 1460 C LEU A 111 21.826 3.424 -4.227 1.00 0.00 C ATOM 1461 O LEU A 111 21.323 4.526 -4.437 1.00 0.00 O ATOM 1462 CB LEU A 111 23.302 2.917 -2.211 1.00 0.00 C ATOM 1463 CG LEU A 111 23.946 4.303 -2.079 1.00 0.00 C ATOM 1464 CD1 LEU A 111 24.491 4.785 -3.414 1.00 0.00 C ATOM 1465 CD2 LEU A 111 22.946 5.297 -1.510 1.00 0.00 C ATOM 0 H LEU A 111 22.246 0.811 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 111 21.224 3.454 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 111 23.264 2.467 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 111 23.960 2.296 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 111 24.787 4.224 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 111 24.941 5.770 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 111 25.245 4.084 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 111 23.678 4.847 -4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 111 23.416 6.276 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 111 22.084 5.367 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 111 22.619 4.961 -0.526 1.00 0.00 H new ATOM 1477 N GLU A 112 22.306 2.654 -5.194 1.00 0.00 N ATOM 1478 CA GLU A 112 22.234 3.060 -6.590 1.00 0.00 C ATOM 1479 C GLU A 112 20.800 2.945 -7.101 1.00 0.00 C ATOM 1480 O GLU A 112 20.378 3.701 -7.976 1.00 0.00 O ATOM 1481 CB GLU A 112 23.162 2.201 -7.440 1.00 0.00 C ATOM 1482 CG GLU A 112 22.942 0.723 -7.218 1.00 0.00 C ATOM 1483 CD GLU A 112 23.599 -0.133 -8.275 1.00 0.00 C ATOM 1484 OE1 GLU A 112 24.829 -0.339 -8.196 1.00 0.00 O ATOM 1485 OE2 GLU A 112 22.898 -0.605 -9.193 1.00 0.00 O ATOM 0 H GLU A 112 22.748 1.748 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 112 22.552 4.100 -6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 112 23.006 2.435 -8.493 1.00 0.00 H new ATOM 0 HB3 GLU A 112 24.197 2.450 -7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 112 23.332 0.446 -6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 112 21.872 0.518 -7.205 1.00 0.00 H new ATOM 1492 N VAL A 113 20.054 1.991 -6.547 1.00 0.00 N ATOM 1493 CA VAL A 113 18.639 1.838 -6.871 1.00 0.00 C ATOM 1494 C VAL A 113 17.867 3.075 -6.423 1.00 0.00 C ATOM 1495 O VAL A 113 16.931 3.524 -7.086 1.00 0.00 O ATOM 1496 CB VAL A 113 18.040 0.579 -6.206 1.00 0.00 C ATOM 1497 CG1 VAL A 113 16.560 0.437 -6.526 1.00 0.00 C ATOM 1498 CG2 VAL A 113 18.795 -0.666 -6.643 1.00 0.00 C ATOM 0 H VAL A 113 20.407 1.313 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 113 18.553 1.723 -7.951 1.00 0.00 H new ATOM 0 HB VAL A 113 18.143 0.692 -5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 113 16.168 -0.458 -6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 113 16.023 1.312 -6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 113 16.427 0.356 -7.605 1.00 0.00 H new ATOM 0 HG21 VAL A 113 18.359 -1.543 -6.164 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.726 -0.772 -7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 113 19.842 -0.577 -6.353 1.00 0.00 H new ATOM 1508 N LEU A 114 18.287 3.629 -5.297 1.00 0.00 N ATOM 1509 CA LEU A 114 17.698 4.848 -4.770 1.00 0.00 C ATOM 1510 C LEU A 114 18.222 6.058 -5.531 1.00 0.00 C ATOM 1511 O LEU A 114 17.546 7.083 -5.633 1.00 0.00 O ATOM 1512 CB LEU A 114 18.036 4.990 -3.288 1.00 0.00 C ATOM 1513 CG LEU A 114 17.319 6.124 -2.551 1.00 0.00 C ATOM 1514 CD1 LEU A 114 15.816 5.884 -2.520 1.00 0.00 C ATOM 1515 CD2 LEU A 114 17.865 6.270 -1.141 1.00 0.00 C ATOM 0 H LEU A 114 19.042 3.248 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 114 16.616 4.794 -4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 114 17.800 4.050 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 114 19.111 5.141 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 114 17.504 7.052 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.328 6.703 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.435 5.832 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.608 4.945 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 114 17.344 7.081 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 114 17.712 5.340 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 114 18.931 6.494 -1.185 1.00 0.00 H new ATOM 1527 N PHE A 115 19.429 5.918 -6.074 1.00 0.00 N ATOM 1528 CA PHE A 115 20.092 7.012 -6.787 1.00 0.00 C ATOM 1529 C PHE A 115 19.248 7.490 -7.966 1.00 0.00 C ATOM 1530 O PHE A 115 19.138 8.691 -8.221 1.00 0.00 O ATOM 1531 CB PHE A 115 21.473 6.569 -7.278 1.00 0.00 C ATOM 1532 CG PHE A 115 22.250 7.655 -7.969 1.00 0.00 C ATOM 1533 CD1 PHE A 115 22.795 8.702 -7.246 1.00 0.00 C ATOM 1534 CD2 PHE A 115 22.438 7.626 -9.343 1.00 0.00 C ATOM 1535 CE1 PHE A 115 23.511 9.701 -7.877 1.00 0.00 C ATOM 1536 CE2 PHE A 115 23.153 8.622 -9.979 1.00 0.00 C ATOM 1537 CZ PHE A 115 23.690 9.661 -9.246 1.00 0.00 C ATOM 0 H PHE A 115 19.971 5.055 -6.035 1.00 0.00 H new ATOM 0 HA PHE A 115 20.211 7.842 -6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 115 22.051 6.206 -6.428 1.00 0.00 H new ATOM 0 HB3 PHE A 115 21.353 5.730 -7.963 1.00 0.00 H new ATOM 0 HD1 PHE A 115 22.659 8.738 -6.175 1.00 0.00 H new ATOM 0 HD2 PHE A 115 22.021 6.815 -9.922 1.00 0.00 H new ATOM 0 HE1 PHE A 115 23.930 10.512 -7.300 1.00 0.00 H new ATOM 0 HE2 PHE A 115 23.292 8.588 -11.049 1.00 0.00 H new ATOM 0 HZ PHE A 115 24.249 10.441 -9.742 1.00 0.00 H new ATOM 1547 N GLN A 116 18.653 6.549 -8.677 1.00 0.00 N ATOM 1548 CA GLN A 116 17.785 6.879 -9.794 1.00 0.00 C ATOM 1549 C GLN A 116 16.596 5.932 -9.822 1.00 0.00 C ATOM 1550 O GLN A 116 15.460 6.328 -9.570 1.00 0.00 O ATOM 1551 CB GLN A 116 18.556 6.805 -11.115 1.00 0.00 C ATOM 1552 CG GLN A 116 17.756 7.267 -12.320 1.00 0.00 C ATOM 1553 CD GLN A 116 18.538 7.146 -13.611 1.00 0.00 C ATOM 1554 OE1 GLN A 116 19.259 8.066 -14.001 1.00 0.00 O ATOM 1555 NE2 GLN A 116 18.397 6.015 -14.290 1.00 0.00 N ATOM 0 H GLN A 116 18.755 5.549 -8.501 1.00 0.00 H new ATOM 0 HA GLN A 116 17.423 7.899 -9.667 1.00 0.00 H new ATOM 0 HB2 GLN A 116 19.456 7.414 -11.034 1.00 0.00 H new ATOM 0 HB3 GLN A 116 18.880 5.777 -11.278 1.00 0.00 H new ATOM 0 HG2 GLN A 116 16.843 6.677 -12.395 1.00 0.00 H new ATOM 0 HG3 GLN A 116 17.454 8.305 -12.177 1.00 0.00 H new ATOM 0 HE21 GLN A 116 17.790 5.278 -13.932 1.00 0.00 H new ATOM 0 HE22 GLN A 116 18.896 5.883 -15.170 1.00 0.00 H new ATOM 1564 N GLY A 117 16.877 4.673 -10.108 1.00 0.00 N ATOM 1565 CA GLY A 117 15.862 3.650 -10.102 1.00 0.00 C ATOM 1566 C GLY A 117 16.145 2.590 -11.146 1.00 0.00 C ATOM 1567 O GLY A 117 15.218 2.112 -11.795 1.00 0.00 O ATOM 0 H GLY A 117 17.810 4.339 -10.349 1.00 0.00 H new ATOM 0 HA2 GLY A 117 15.813 3.189 -9.116 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.888 4.100 -10.292 1.00 0.00 H new ATOM 1571 N PRO A 118 17.427 2.197 -11.336 1.00 0.00 N ATOM 1572 CA PRO A 118 17.826 1.278 -12.394 1.00 0.00 C ATOM 1573 C PRO A 118 17.044 -0.032 -12.358 1.00 0.00 C ATOM 1574 O PRO A 118 17.157 -0.812 -11.412 1.00 0.00 O ATOM 1575 CB PRO A 118 19.310 1.025 -12.107 1.00 0.00 C ATOM 1576 CG PRO A 118 19.509 1.444 -10.704 1.00 0.00 C ATOM 1577 CD PRO A 118 18.600 2.603 -10.549 1.00 0.00 C ATOM 0 HA PRO A 118 17.634 1.693 -13.383 1.00 0.00 H new ATOM 0 HB2 PRO A 118 19.564 -0.026 -12.244 1.00 0.00 H new ATOM 0 HB3 PRO A 118 19.945 1.597 -12.783 1.00 0.00 H new ATOM 0 HG2 PRO A 118 19.259 0.643 -10.008 1.00 0.00 H new ATOM 0 HG3 PRO A 118 20.546 1.720 -10.512 1.00 0.00 H new ATOM 0 HD2 PRO A 118 18.345 2.782 -9.504 1.00 0.00 H new ATOM 0 HD3 PRO A 118 19.046 3.522 -10.930 1.00 0.00 H new ATOM 1585 N GLN A 119 16.247 -0.267 -13.385 1.00 0.00 N ATOM 1586 CA GLN A 119 15.434 -1.468 -13.454 1.00 0.00 C ATOM 1587 C GLN A 119 16.203 -2.600 -14.122 1.00 0.00 C ATOM 1588 O GLN A 119 15.808 -3.097 -15.179 1.00 0.00 O ATOM 1589 CB GLN A 119 14.128 -1.198 -14.202 1.00 0.00 C ATOM 1590 CG GLN A 119 13.195 -0.234 -13.483 1.00 0.00 C ATOM 1591 CD GLN A 119 12.889 -0.668 -12.061 1.00 0.00 C ATOM 1592 OE1 GLN A 119 11.972 -1.453 -11.822 1.00 0.00 O ATOM 1593 NE2 GLN A 119 13.638 -0.141 -11.107 1.00 0.00 N ATOM 0 H GLN A 119 16.145 0.359 -14.184 1.00 0.00 H new ATOM 0 HA GLN A 119 15.190 -1.769 -12.435 1.00 0.00 H new ATOM 0 HB2 GLN A 119 14.362 -0.795 -15.188 1.00 0.00 H new ATOM 0 HB3 GLN A 119 13.608 -2.143 -14.359 1.00 0.00 H new ATOM 0 HG2 GLN A 119 13.646 0.758 -13.467 1.00 0.00 H new ATOM 0 HG3 GLN A 119 12.263 -0.151 -14.042 1.00 0.00 H new ATOM 0 HE21 GLN A 119 14.389 0.506 -11.347 1.00 0.00 H new ATOM 0 HE22 GLN A 119 13.465 -0.382 -10.131 1.00 0.00 H new ATOM 1602 N PHE A 120 17.307 -2.998 -13.501 1.00 0.00 N ATOM 1603 CA PHE A 120 18.107 -4.111 -14.000 1.00 0.00 C ATOM 1604 C PHE A 120 17.438 -5.433 -13.643 1.00 0.00 C ATOM 1605 O PHE A 120 17.668 -6.457 -14.286 1.00 0.00 O ATOM 1606 CB PHE A 120 19.536 -4.054 -13.439 1.00 0.00 C ATOM 1607 CG PHE A 120 19.615 -4.035 -11.937 1.00 0.00 C ATOM 1608 CD1 PHE A 120 19.536 -2.840 -11.241 1.00 0.00 C ATOM 1609 CD2 PHE A 120 19.772 -5.211 -11.220 1.00 0.00 C ATOM 1610 CE1 PHE A 120 19.607 -2.816 -9.863 1.00 0.00 C ATOM 1611 CE2 PHE A 120 19.845 -5.193 -9.841 1.00 0.00 C ATOM 1612 CZ PHE A 120 19.763 -3.995 -9.162 1.00 0.00 C ATOM 0 H PHE A 120 17.669 -2.567 -12.651 1.00 0.00 H new ATOM 0 HA PHE A 120 18.173 -4.033 -15.085 1.00 0.00 H new ATOM 0 HB2 PHE A 120 20.093 -4.915 -13.809 1.00 0.00 H new ATOM 0 HB3 PHE A 120 20.030 -3.164 -13.828 1.00 0.00 H new ATOM 0 HD1 PHE A 120 19.417 -1.914 -11.784 1.00 0.00 H new ATOM 0 HD2 PHE A 120 19.838 -6.152 -11.746 1.00 0.00 H new ATOM 0 HE1 PHE A 120 19.541 -1.877 -9.334 1.00 0.00 H new ATOM 0 HE2 PHE A 120 19.966 -6.117 -9.294 1.00 0.00 H new ATOM 0 HZ PHE A 120 19.821 -3.979 -8.084 1.00 0.00 H new ATOM 1622 N THR A 121 16.613 -5.397 -12.609 1.00 0.00 N ATOM 1623 CA THR A 121 15.819 -6.545 -12.219 1.00 0.00 C ATOM 1624 C THR A 121 14.399 -6.406 -12.753 1.00 0.00 C ATOM 1625 O THR A 121 13.763 -5.366 -12.578 1.00 0.00 O ATOM 1626 CB THR A 121 15.783 -6.688 -10.688 1.00 0.00 C ATOM 1627 OG1 THR A 121 15.638 -5.396 -10.081 1.00 0.00 O ATOM 1628 CG2 THR A 121 17.047 -7.358 -10.172 1.00 0.00 C ATOM 0 H THR A 121 16.477 -4.575 -12.021 1.00 0.00 H new ATOM 0 HA THR A 121 16.279 -7.437 -12.643 1.00 0.00 H new ATOM 0 HB THR A 121 14.930 -7.314 -10.424 1.00 0.00 H new ATOM 0 HG1 THR A 121 14.969 -4.876 -10.574 1.00 0.00 H new ATOM 0 HG21 THR A 121 16.995 -7.446 -9.087 1.00 0.00 H new ATOM 0 HG22 THR A 121 17.139 -8.351 -10.613 1.00 0.00 H new ATOM 0 HG23 THR A 121 17.915 -6.758 -10.446 1.00 0.00 H new ATOM 1636 N LEU A 122 13.914 -7.445 -13.419 1.00 0.00 N ATOM 1637 CA LEU A 122 12.579 -7.421 -13.995 1.00 0.00 C ATOM 1638 C LEU A 122 11.590 -8.125 -13.073 1.00 0.00 C ATOM 1639 O LEU A 122 10.945 -7.477 -12.258 1.00 0.00 O ATOM 1640 CB LEU A 122 12.579 -8.062 -15.385 1.00 0.00 C ATOM 1641 CG LEU A 122 11.220 -8.121 -16.084 1.00 0.00 C ATOM 1642 CD1 LEU A 122 10.663 -6.723 -16.298 1.00 0.00 C ATOM 1643 CD2 LEU A 122 11.341 -8.853 -17.410 1.00 0.00 C ATOM 0 H LEU A 122 14.426 -8.314 -13.573 1.00 0.00 H new ATOM 0 HA LEU A 122 12.267 -6.382 -14.103 1.00 0.00 H new ATOM 0 HB2 LEU A 122 13.271 -7.509 -16.021 1.00 0.00 H new ATOM 0 HB3 LEU A 122 12.967 -9.077 -15.298 1.00 0.00 H new ATOM 0 HG LEU A 122 10.528 -8.669 -15.444 1.00 0.00 H new ATOM 0 HD11 LEU A 122 9.696 -6.789 -16.797 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.541 -6.228 -15.334 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.352 -6.148 -16.917 1.00 0.00 H new ATOM 0 HD21 LEU A 122 10.366 -8.888 -17.897 1.00 0.00 H new ATOM 0 HD22 LEU A 122 12.049 -8.328 -18.052 1.00 0.00 H new ATOM 0 HD23 LEU A 122 11.695 -9.869 -17.234 1.00 0.00 H new ATOM 1655 N ARG A 123 11.491 -9.452 -13.194 1.00 0.00 N ATOM 1656 CA ARG A 123 10.582 -10.243 -12.361 1.00 0.00 C ATOM 1657 C ARG A 123 9.122 -9.804 -12.584 1.00 0.00 C ATOM 1658 O ARG A 123 8.840 -8.933 -13.409 1.00 0.00 O ATOM 1659 CB ARG A 123 10.979 -10.096 -10.880 1.00 0.00 C ATOM 1660 CG ARG A 123 10.379 -11.151 -9.966 1.00 0.00 C ATOM 1661 CD ARG A 123 10.779 -10.939 -8.517 1.00 0.00 C ATOM 1662 NE ARG A 123 10.266 -12.005 -7.660 1.00 0.00 N ATOM 1663 CZ ARG A 123 9.860 -11.831 -6.406 1.00 0.00 C ATOM 1664 NH1 ARG A 123 9.912 -10.628 -5.843 1.00 0.00 N ATOM 1665 NH2 ARG A 123 9.409 -12.866 -5.712 1.00 0.00 N ATOM 0 H ARG A 123 12.031 -10.002 -13.863 1.00 0.00 H new ATOM 0 HA ARG A 123 10.661 -11.293 -12.644 1.00 0.00 H new ATOM 0 HB2 ARG A 123 12.065 -10.138 -10.801 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.672 -9.111 -10.529 1.00 0.00 H new ATOM 0 HG2 ARG A 123 9.292 -11.128 -10.050 1.00 0.00 H new ATOM 0 HG3 ARG A 123 10.703 -12.140 -10.291 1.00 0.00 H new ATOM 0 HD2 ARG A 123 11.866 -10.900 -8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 123 10.400 -9.978 -8.170 1.00 0.00 H new ATOM 0 HE ARG A 123 10.216 -12.946 -8.050 1.00 0.00 H new ATOM 0 HH11 ARG A 123 10.265 -9.831 -6.373 1.00 0.00 H new ATOM 0 HH12 ARG A 123 9.599 -10.501 -4.881 1.00 0.00 H new ATOM 0 HH21 ARG A 123 9.374 -13.791 -6.140 1.00 0.00 H new ATOM 0 HH22 ARG A 123 9.096 -12.737 -4.750 1.00 0.00 H new ATOM 1679 N HIS A 124 8.191 -10.446 -11.892 1.00 0.00 N ATOM 1680 CA HIS A 124 6.801 -10.021 -11.908 1.00 0.00 C ATOM 1681 C HIS A 124 6.474 -9.265 -10.624 1.00 0.00 C ATOM 1682 O HIS A 124 6.416 -9.855 -9.541 1.00 0.00 O ATOM 1683 CB HIS A 124 5.874 -11.229 -12.067 1.00 0.00 C ATOM 1684 CG HIS A 124 4.437 -10.869 -12.292 1.00 0.00 C ATOM 1685 ND1 HIS A 124 3.939 -10.517 -13.526 1.00 0.00 N ATOM 1686 CD2 HIS A 124 3.389 -10.816 -11.437 1.00 0.00 C ATOM 1687 CE1 HIS A 124 2.649 -10.262 -13.423 1.00 0.00 C ATOM 1688 NE2 HIS A 124 2.289 -10.437 -12.167 1.00 0.00 N ATOM 0 H HIS A 124 8.375 -11.265 -11.312 1.00 0.00 H new ATOM 0 HA HIS A 124 6.646 -9.356 -12.758 1.00 0.00 H new ATOM 0 HB2 HIS A 124 6.222 -11.833 -12.905 1.00 0.00 H new ATOM 0 HB3 HIS A 124 5.947 -11.850 -11.174 1.00 0.00 H new ATOM 0 HD2 HIS A 124 3.413 -11.031 -10.379 1.00 0.00 H new ATOM 0 HE1 HIS A 124 1.998 -9.961 -14.231 1.00 0.00 H new ATOM 0 HE2 HIS A 124 1.347 -10.311 -11.797 1.00 0.00 H new ATOM 1697 N TRP A 125 6.272 -7.959 -10.751 1.00 0.00 N ATOM 1698 CA TRP A 125 5.988 -7.108 -9.601 1.00 0.00 C ATOM 1699 C TRP A 125 4.518 -7.189 -9.207 1.00 0.00 C ATOM 1700 O TRP A 125 3.733 -7.924 -9.811 1.00 0.00 O ATOM 1701 CB TRP A 125 6.333 -5.649 -9.911 1.00 0.00 C ATOM 1702 CG TRP A 125 7.757 -5.423 -10.307 1.00 0.00 C ATOM 1703 CD1 TRP A 125 8.202 -4.923 -11.495 1.00 0.00 C ATOM 1704 CD2 TRP A 125 8.921 -5.686 -9.518 1.00 0.00 C ATOM 1705 NE1 TRP A 125 9.571 -4.851 -11.491 1.00 0.00 N ATOM 1706 CE2 TRP A 125 10.038 -5.316 -10.290 1.00 0.00 C ATOM 1707 CE3 TRP A 125 9.130 -6.197 -8.236 1.00 0.00 C ATOM 1708 CZ2 TRP A 125 11.343 -5.439 -9.819 1.00 0.00 C ATOM 1709 CZ3 TRP A 125 10.425 -6.320 -7.770 1.00 0.00 C ATOM 1710 CH2 TRP A 125 11.517 -5.942 -8.561 1.00 0.00 C ATOM 0 H TRP A 125 6.300 -7.464 -11.643 1.00 0.00 H new ATOM 0 HA TRP A 125 6.602 -7.465 -8.774 1.00 0.00 H new ATOM 0 HB2 TRP A 125 5.685 -5.298 -10.714 1.00 0.00 H new ATOM 0 HB3 TRP A 125 6.112 -5.041 -9.034 1.00 0.00 H new ATOM 0 HD1 TRP A 125 7.569 -4.627 -12.318 1.00 0.00 H new ATOM 0 HE1 TRP A 125 10.148 -4.507 -12.258 1.00 0.00 H new ATOM 0 HE3 TRP A 125 8.294 -6.491 -7.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 12.187 -5.147 -10.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 10.598 -6.714 -6.779 1.00 0.00 H new ATOM 0 HH2 TRP A 125 12.517 -6.050 -8.168 1.00 0.00 H new ATOM 1721 N LEU A 126 4.160 -6.437 -8.177 1.00 0.00 N ATOM 1722 CA LEU A 126 2.772 -6.291 -7.780 1.00 0.00 C ATOM 1723 C LEU A 126 2.171 -5.057 -8.377 1.00 0.00 C ATOM 1724 O LEU A 126 2.871 -4.191 -8.886 1.00 0.00 O ATOM 1725 CB LEU A 126 2.603 -6.173 -6.277 1.00 0.00 C ATOM 1726 CG LEU A 126 1.937 -7.350 -5.599 1.00 0.00 C ATOM 1727 CD1 LEU A 126 1.504 -6.994 -4.189 1.00 0.00 C ATOM 1728 CD2 LEU A 126 0.755 -7.879 -6.398 1.00 0.00 C ATOM 0 H LEU A 126 4.819 -5.916 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 126 2.273 -7.192 -8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.586 -6.028 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.020 -5.277 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 126 2.681 -8.145 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.028 -7.858 -3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.376 -6.702 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.796 -6.166 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 126 0.309 -8.723 -5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.012 -7.090 -6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.096 -8.203 -7.381 1.00 0.00 H new ATOM 1740 N LYS A 127 0.872 -4.974 -8.253 1.00 0.00 N ATOM 1741 CA LYS A 127 0.129 -3.823 -8.716 1.00 0.00 C ATOM 1742 C LYS A 127 -1.202 -3.727 -7.983 1.00 0.00 C ATOM 1743 O LYS A 127 -2.242 -4.146 -8.490 1.00 0.00 O ATOM 1744 CB LYS A 127 -0.075 -3.869 -10.239 1.00 0.00 C ATOM 1745 CG LYS A 127 -0.721 -5.150 -10.755 1.00 0.00 C ATOM 1746 CD LYS A 127 -0.887 -5.133 -12.270 1.00 0.00 C ATOM 1747 CE LYS A 127 -1.707 -3.938 -12.745 1.00 0.00 C ATOM 1748 NZ LYS A 127 -3.072 -3.916 -12.154 1.00 0.00 N ATOM 0 H LYS A 127 0.296 -5.701 -7.829 1.00 0.00 H new ATOM 0 HA LYS A 127 0.708 -2.927 -8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -0.693 -3.021 -10.535 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.892 -3.744 -10.726 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -0.111 -6.006 -10.466 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.696 -5.280 -10.285 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.095 -5.108 -12.741 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -1.371 -6.055 -12.591 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.186 -3.017 -12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.785 -3.963 -13.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.624 -3.146 -12.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -3.544 -4.824 -12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -3.003 -3.762 -11.128 1.00 0.00 H new ATOM 1762 N VAL A 128 -1.166 -3.190 -6.776 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.378 -2.983 -6.031 1.00 0.00 C ATOM 1764 C VAL A 128 -2.492 -1.497 -5.681 1.00 0.00 C ATOM 1765 O VAL A 128 -2.889 -0.729 -6.566 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.506 -3.925 -4.802 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -1.582 -3.565 -3.655 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -3.955 -3.987 -4.367 1.00 0.00 C ATOM 1769 OXT VAL A 128 -2.152 -1.084 -4.577 1.00 0.00 O ATOM 0 H VAL A 128 -0.313 -2.894 -6.301 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.230 -3.257 -6.653 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.178 -4.917 -5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.730 -4.267 -2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.547 -3.614 -3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.805 -2.555 -3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -4.048 -4.647 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.297 -2.988 -4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.564 -4.371 -5.185 1.00 0.00 H new TER 1779 VAL A 128