USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 928 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 80 GLN :FLIP amide:sc= -0.0452 F(o=-2.3,f=-0.97) USER MOD Set 1.2: A 84 THR OG1 : rot -0:sc= -1.14! USER MOD Set 1.3: A 98 THR OG1 : rot -70:sc= 0.217 USER MOD Set 2.1: A 17 TYR OH : rot 9:sc= 0.986 USER MOD Set 2.2: A 88 TYR OH : rot 21:sc= 1.05 USER MOD Single : A 1 GLY N :NH3+ -160:sc= 1.26 (180deg=0.995) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 167:sc= -0.045 (180deg=-0.225) USER MOD Single : A 16 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.8!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 25 THR OG1 : rot -34:sc= 0.556 USER MOD Single : A 26 LYS NZ :NH3+ 138:sc= -0.995 (180deg=-1.38) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -150:sc= 0.464 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot 60:sc= -1.8! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 153:sc= 0.78 (180deg=0.204) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0292 USER MOD Single : A 54 TYR OH : rot -138:sc= 0.21 USER MOD Single : A 56 LYS NZ :NH3+ 136:sc= 1.15 (180deg=0.0562) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -157:sc= 1.16 (180deg=0.774) USER MOD Single : A 67 LYS NZ :NH3+ -151:sc= 0.458 (180deg=-1.64!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -1.08 F(o=-1.6,f=-1.1) USER MOD Single : A 86 LYS NZ :NH3+ -161:sc= 2.35 (180deg=1.67) USER MOD Single : A 93 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.002) USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -172:sc= 1.28 USER MOD Single : A 104 THR OG1 : rot 30:sc= -0.85 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -2.39 K(o=-2.4,f=-6!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0.597 (180deg=0.597) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 152:sc= 1.01 (180deg=0.515) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.316 13.577 -8.877 1.00 0.00 N ATOM 2 CA GLY A 1 2.970 14.956 -9.157 1.00 0.00 C ATOM 3 C GLY A 1 4.119 15.874 -8.836 1.00 0.00 C ATOM 4 O GLY A 1 4.382 16.130 -7.666 1.00 0.00 O ATOM 0 H1 GLY A 1 2.677 12.946 -9.401 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.297 13.399 -9.171 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.222 13.396 -7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.698 15.061 -10.207 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.096 15.242 -8.571 1.00 0.00 H new ATOM 10 N PRO A 2 4.848 16.379 -9.866 1.00 0.00 N ATOM 11 CA PRO A 2 6.000 17.276 -9.669 1.00 0.00 C ATOM 12 C PRO A 2 5.633 18.510 -8.837 1.00 0.00 C ATOM 13 O PRO A 2 6.357 18.888 -7.901 1.00 0.00 O ATOM 14 CB PRO A 2 6.390 17.680 -11.095 1.00 0.00 C ATOM 15 CG PRO A 2 5.894 16.565 -11.946 1.00 0.00 C ATOM 16 CD PRO A 2 4.622 16.094 -11.302 1.00 0.00 C ATOM 0 HA PRO A 2 6.808 16.792 -9.120 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.934 18.629 -11.378 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.469 17.804 -11.192 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.714 16.902 -12.967 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.626 15.759 -12.001 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.753 16.628 -11.687 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.449 15.033 -11.480 1.00 0.00 H new ATOM 24 N LEU A 3 4.509 19.112 -9.158 1.00 0.00 N ATOM 25 CA LEU A 3 4.018 20.247 -8.425 1.00 0.00 C ATOM 26 C LEU A 3 2.512 20.267 -8.498 1.00 0.00 C ATOM 27 O LEU A 3 1.929 19.739 -9.449 1.00 0.00 O ATOM 28 CB LEU A 3 4.619 21.608 -8.902 1.00 0.00 C ATOM 29 CG LEU A 3 4.270 22.118 -10.321 1.00 0.00 C ATOM 30 CD1 LEU A 3 4.757 23.543 -10.489 1.00 0.00 C ATOM 31 CD2 LEU A 3 4.896 21.255 -11.400 1.00 0.00 C ATOM 0 H LEU A 3 3.913 18.825 -9.935 1.00 0.00 H new ATOM 0 HA LEU A 3 4.344 20.133 -7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.310 22.373 -8.190 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.704 21.531 -8.836 1.00 0.00 H new ATOM 0 HG LEU A 3 3.186 22.071 -10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.509 23.897 -11.490 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.276 24.182 -9.748 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.838 23.577 -10.350 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.627 21.647 -12.381 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.980 21.265 -11.290 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.531 20.232 -11.305 1.00 0.00 H new ATOM 43 N GLY A 4 1.888 20.814 -7.495 1.00 0.00 N ATOM 44 CA GLY A 4 0.456 20.893 -7.466 1.00 0.00 C ATOM 45 C GLY A 4 -0.118 19.854 -6.547 1.00 0.00 C ATOM 46 O GLY A 4 -0.450 20.139 -5.402 1.00 0.00 O ATOM 0 H GLY A 4 2.353 21.215 -6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.149 21.886 -7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.059 20.754 -8.472 1.00 0.00 H new ATOM 50 N SER A 5 -0.231 18.655 -7.032 1.00 0.00 N ATOM 51 CA SER A 5 -0.728 17.567 -6.237 1.00 0.00 C ATOM 52 C SER A 5 0.221 16.379 -6.318 1.00 0.00 C ATOM 53 O SER A 5 0.240 15.646 -7.318 1.00 0.00 O ATOM 54 CB SER A 5 -2.133 17.170 -6.697 1.00 0.00 C ATOM 55 OG SER A 5 -3.029 18.274 -6.618 1.00 0.00 O ATOM 0 H SER A 5 0.017 18.401 -7.988 1.00 0.00 H new ATOM 0 HA SER A 5 -0.787 17.890 -5.198 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.093 16.803 -7.722 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.504 16.352 -6.079 1.00 0.00 H new ATOM 0 HG SER A 5 -3.919 17.995 -6.919 1.00 0.00 H new ATOM 61 N GLU A 6 1.042 16.224 -5.306 1.00 0.00 N ATOM 62 CA GLU A 6 1.951 15.108 -5.243 1.00 0.00 C ATOM 63 C GLU A 6 1.298 13.957 -4.526 1.00 0.00 C ATOM 64 O GLU A 6 0.931 14.061 -3.344 1.00 0.00 O ATOM 65 CB GLU A 6 3.280 15.484 -4.548 1.00 0.00 C ATOM 66 CG GLU A 6 4.243 14.300 -4.291 1.00 0.00 C ATOM 67 CD GLU A 6 4.765 13.616 -5.547 1.00 0.00 C ATOM 68 OE1 GLU A 6 3.963 13.139 -6.364 1.00 0.00 O1- ATOM 69 OE2 GLU A 6 6.004 13.541 -5.721 1.00 0.00 O ATOM 0 H GLU A 6 1.098 16.862 -4.512 1.00 0.00 H new ATOM 0 HA GLU A 6 2.189 14.815 -6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.795 16.225 -5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.052 15.960 -3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.093 14.661 -3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.730 13.559 -3.678 1.00 0.00 H new ATOM 76 N GLY A 7 1.106 12.900 -5.241 1.00 0.00 N ATOM 77 CA GLY A 7 0.639 11.685 -4.674 1.00 0.00 C ATOM 78 C GLY A 7 1.806 10.743 -4.645 1.00 0.00 C ATOM 79 O GLY A 7 2.074 10.071 -5.641 1.00 0.00 O ATOM 0 H GLY A 7 1.271 12.857 -6.247 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.252 11.851 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.177 11.271 -5.266 1.00 0.00 H new ATOM 83 N PRO A 8 2.564 10.702 -3.541 1.00 0.00 N ATOM 84 CA PRO A 8 3.797 9.914 -3.466 1.00 0.00 C ATOM 85 C PRO A 8 3.516 8.433 -3.475 1.00 0.00 C ATOM 86 O PRO A 8 4.270 7.634 -4.030 1.00 0.00 O ATOM 87 CB PRO A 8 4.373 10.311 -2.131 1.00 0.00 C ATOM 88 CG PRO A 8 3.226 10.740 -1.320 1.00 0.00 C ATOM 89 CD PRO A 8 2.275 11.392 -2.264 1.00 0.00 C ATOM 0 HA PRO A 8 4.457 10.099 -4.313 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.893 9.475 -1.664 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.099 11.117 -2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.760 9.889 -0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.538 11.434 -0.539 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.239 11.255 -1.955 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.447 12.466 -2.336 1.00 0.00 H new ATOM 97 N VAL A 9 2.442 8.091 -2.850 1.00 0.00 N ATOM 98 CA VAL A 9 1.980 6.771 -2.806 1.00 0.00 C ATOM 99 C VAL A 9 1.190 6.513 -4.083 1.00 0.00 C ATOM 100 O VAL A 9 0.330 7.317 -4.469 1.00 0.00 O ATOM 101 CB VAL A 9 1.174 6.509 -1.492 1.00 0.00 C ATOM 102 CG1 VAL A 9 0.198 7.626 -1.176 1.00 0.00 C ATOM 103 CG2 VAL A 9 0.455 5.201 -1.557 1.00 0.00 C ATOM 0 H VAL A 9 1.852 8.752 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 9 2.805 6.060 -2.772 1.00 0.00 H new ATOM 0 HB VAL A 9 1.904 6.475 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.335 7.393 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.743 8.562 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.517 7.727 -1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.098 5.043 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.239 5.209 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.177 4.395 -1.691 1.00 0.00 H new ATOM 113 N THR A 10 1.527 5.443 -4.748 1.00 0.00 N ATOM 114 CA THR A 10 1.006 5.136 -6.037 1.00 0.00 C ATOM 115 C THR A 10 -0.475 4.772 -5.983 1.00 0.00 C ATOM 116 O THR A 10 -0.856 3.718 -5.491 1.00 0.00 O ATOM 117 CB THR A 10 1.826 3.994 -6.664 1.00 0.00 C ATOM 118 OG1 THR A 10 3.225 4.305 -6.513 1.00 0.00 O ATOM 119 CG2 THR A 10 1.516 3.862 -8.153 1.00 0.00 C ATOM 0 H THR A 10 2.186 4.749 -4.395 1.00 0.00 H new ATOM 0 HA THR A 10 1.090 6.027 -6.659 1.00 0.00 H new ATOM 0 HB THR A 10 1.573 3.058 -6.166 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.764 3.587 -6.906 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.106 3.049 -8.577 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.455 3.648 -8.286 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.765 4.794 -8.660 1.00 0.00 H new ATOM 127 N VAL A 11 -1.303 5.674 -6.429 1.00 0.00 N ATOM 128 CA VAL A 11 -2.710 5.404 -6.516 1.00 0.00 C ATOM 129 C VAL A 11 -2.938 4.557 -7.752 1.00 0.00 C ATOM 130 O VAL A 11 -2.759 5.022 -8.888 1.00 0.00 O ATOM 131 CB VAL A 11 -3.545 6.695 -6.592 1.00 0.00 C ATOM 132 CG1 VAL A 11 -5.042 6.384 -6.604 1.00 0.00 C ATOM 133 CG2 VAL A 11 -3.193 7.627 -5.441 1.00 0.00 C ATOM 0 H VAL A 11 -1.027 6.606 -6.739 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.032 4.880 -5.616 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.304 7.199 -7.528 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.607 7.315 -6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.278 5.765 -7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.310 5.850 -5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.793 8.534 -5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.398 7.129 -4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.136 7.886 -5.493 1.00 0.00 H new ATOM 143 N VAL A 12 -3.273 3.329 -7.519 1.00 0.00 N ATOM 144 CA VAL A 12 -3.450 2.325 -8.519 1.00 0.00 C ATOM 145 C VAL A 12 -4.912 1.955 -8.525 1.00 0.00 C ATOM 146 O VAL A 12 -5.425 1.476 -7.543 1.00 0.00 O ATOM 147 CB VAL A 12 -2.639 1.060 -8.115 1.00 0.00 C ATOM 148 CG1 VAL A 12 -2.707 0.017 -9.169 1.00 0.00 C ATOM 149 CG2 VAL A 12 -1.193 1.385 -7.821 1.00 0.00 C ATOM 0 H VAL A 12 -3.440 2.981 -6.575 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.120 2.687 -9.493 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.098 0.677 -7.203 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.131 -0.854 -8.857 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.746 -0.273 -9.327 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.295 0.411 -10.098 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.664 0.473 -7.543 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.730 1.817 -8.708 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.140 2.099 -6.999 1.00 0.00 H new ATOM 159 N VAL A 13 -5.577 2.224 -9.594 1.00 0.00 N ATOM 160 CA VAL A 13 -6.971 1.860 -9.724 1.00 0.00 C ATOM 161 C VAL A 13 -7.115 0.339 -9.904 1.00 0.00 C ATOM 162 O VAL A 13 -6.122 -0.359 -10.158 1.00 0.00 O ATOM 163 CB VAL A 13 -7.644 2.600 -10.901 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.744 4.076 -10.593 1.00 0.00 C ATOM 165 CG2 VAL A 13 -6.844 2.406 -12.169 1.00 0.00 C ATOM 0 H VAL A 13 -5.185 2.700 -10.407 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.476 2.160 -8.806 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.644 2.189 -11.042 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.220 4.591 -11.428 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.339 4.220 -9.691 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.745 4.484 -10.437 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.330 2.933 -12.990 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.838 2.802 -12.029 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.786 1.343 -12.404 1.00 0.00 H new ATOM 175 N ALA A 14 -8.347 -0.173 -9.836 1.00 0.00 N ATOM 176 CA ALA A 14 -8.606 -1.631 -9.961 1.00 0.00 C ATOM 177 C ALA A 14 -8.345 -2.125 -11.374 1.00 0.00 C ATOM 178 O ALA A 14 -8.482 -3.305 -11.676 1.00 0.00 O ATOM 179 CB ALA A 14 -10.011 -1.975 -9.527 1.00 0.00 C ATOM 0 H ALA A 14 -9.186 0.389 -9.696 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.910 -2.141 -9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.171 -3.048 -9.630 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.151 -1.685 -8.486 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.726 -1.440 -10.152 1.00 0.00 H new ATOM 185 N LYS A 15 -8.014 -1.206 -12.218 1.00 0.00 N ATOM 186 CA LYS A 15 -7.572 -1.476 -13.560 1.00 0.00 C ATOM 187 C LYS A 15 -6.094 -1.931 -13.552 1.00 0.00 C ATOM 188 O LYS A 15 -5.703 -2.819 -14.300 1.00 0.00 O ATOM 189 CB LYS A 15 -7.769 -0.191 -14.408 1.00 0.00 C ATOM 190 CG LYS A 15 -6.943 -0.075 -15.688 1.00 0.00 C ATOM 191 CD LYS A 15 -7.276 -1.122 -16.748 1.00 0.00 C ATOM 192 CE LYS A 15 -8.691 -0.978 -17.291 1.00 0.00 C ATOM 193 NZ LYS A 15 -8.927 0.352 -17.894 1.00 0.00 N1+ ATOM 0 H LYS A 15 -8.042 -0.212 -11.993 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.157 -2.284 -13.999 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.823 -0.120 -14.677 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.542 0.669 -13.778 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.093 0.917 -16.114 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.886 -0.156 -15.433 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.565 -1.039 -17.570 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.155 -2.117 -16.321 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.872 -1.751 -18.038 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.406 -1.141 -16.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.812 0.334 -18.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.999 1.066 -17.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.136 0.592 -18.525 1.00 0.00 H new ATOM 207 N ASN A 16 -5.295 -1.367 -12.661 1.00 0.00 N ATOM 208 CA ASN A 16 -3.848 -1.614 -12.707 1.00 0.00 C ATOM 209 C ASN A 16 -3.381 -2.420 -11.527 1.00 0.00 C ATOM 210 O ASN A 16 -2.222 -2.800 -11.454 1.00 0.00 O ATOM 211 CB ASN A 16 -3.063 -0.333 -12.645 1.00 0.00 C ATOM 212 CG ASN A 16 -3.553 0.795 -13.495 1.00 0.00 C ATOM 213 OD1 ASN A 16 -4.072 0.635 -14.592 1.00 0.00 O ATOM 214 ND2 ASN A 16 -3.416 1.942 -12.942 1.00 0.00 N ATOM 0 H ASN A 16 -5.605 -0.749 -11.911 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.681 -2.143 -13.645 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.044 0.005 -11.609 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.033 -0.551 -12.928 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.748 2.781 -13.418 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.975 2.017 -12.025 1.00 0.00 H new ATOM 221 N TYR A 17 -4.241 -2.623 -10.576 1.00 0.00 N ATOM 222 CA TYR A 17 -3.920 -3.315 -9.355 1.00 0.00 C ATOM 223 C TYR A 17 -3.289 -4.707 -9.541 1.00 0.00 C ATOM 224 O TYR A 17 -2.438 -5.105 -8.753 1.00 0.00 O ATOM 225 CB TYR A 17 -5.129 -3.279 -8.407 1.00 0.00 C ATOM 226 CG TYR A 17 -5.368 -4.533 -7.587 1.00 0.00 C ATOM 227 CD1 TYR A 17 -4.697 -4.762 -6.404 1.00 0.00 C ATOM 228 CD2 TYR A 17 -6.264 -5.494 -8.027 1.00 0.00 C ATOM 229 CE1 TYR A 17 -4.907 -5.911 -5.677 1.00 0.00 C ATOM 230 CE2 TYR A 17 -6.488 -6.646 -7.311 1.00 0.00 C ATOM 231 CZ TYR A 17 -5.812 -6.857 -6.137 1.00 0.00 C ATOM 232 OH TYR A 17 -6.040 -8.014 -5.428 1.00 0.00 O ATOM 0 H TYR A 17 -5.209 -2.307 -10.624 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.105 -2.772 -8.877 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.004 -2.440 -7.723 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.023 -3.079 -8.998 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.994 -4.026 -6.042 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.798 -5.335 -8.952 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.371 -6.076 -4.754 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.193 -7.381 -7.671 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.597 -7.956 -4.556 1.00 0.00 H new ATOM 242 N ASN A 18 -3.592 -5.370 -10.635 1.00 0.00 N ATOM 243 CA ASN A 18 -3.077 -6.728 -10.860 1.00 0.00 C ATOM 244 C ASN A 18 -1.687 -6.632 -11.442 1.00 0.00 C ATOM 245 O ASN A 18 -0.954 -7.611 -11.555 1.00 0.00 O ATOM 246 CB ASN A 18 -3.976 -7.539 -11.828 1.00 0.00 C ATOM 247 CG ASN A 18 -3.961 -7.027 -13.282 1.00 0.00 C ATOM 248 OD1 ASN A 18 -3.128 -7.433 -14.087 1.00 0.00 O ATOM 249 ND2 ASN A 18 -4.885 -6.169 -13.629 1.00 0.00 N ATOM 0 H ASN A 18 -4.184 -5.008 -11.382 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.066 -7.247 -9.902 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.655 -8.580 -11.818 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.001 -7.518 -11.458 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.925 -5.822 -14.587 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.566 -5.847 -12.941 1.00 0.00 H new ATOM 256 N GLU A 19 -1.342 -5.443 -11.798 1.00 0.00 N ATOM 257 CA GLU A 19 -0.140 -5.172 -12.457 1.00 0.00 C ATOM 258 C GLU A 19 0.856 -4.503 -11.506 1.00 0.00 C ATOM 259 O GLU A 19 2.019 -4.886 -11.431 1.00 0.00 O ATOM 260 CB GLU A 19 -0.508 -4.263 -13.602 1.00 0.00 C ATOM 261 CG GLU A 19 0.096 -4.627 -14.911 1.00 0.00 C ATOM 262 CD GLU A 19 1.605 -4.546 -14.941 1.00 0.00 C ATOM 263 OE1 GLU A 19 2.280 -5.498 -14.524 1.00 0.00 O ATOM 264 OE2 GLU A 19 2.143 -3.529 -15.414 1.00 0.00 O1- ATOM 0 H GLU A 19 -1.915 -4.617 -11.627 1.00 0.00 H new ATOM 0 HA GLU A 19 0.347 -6.079 -12.814 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.593 -4.258 -13.708 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.207 -3.246 -13.350 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.207 -5.642 -15.169 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.307 -3.969 -15.680 1.00 0.00 H new ATOM 271 N ILE A 20 0.389 -3.517 -10.776 1.00 0.00 N ATOM 272 CA ILE A 20 1.265 -2.758 -9.899 1.00 0.00 C ATOM 273 C ILE A 20 1.346 -3.390 -8.515 1.00 0.00 C ATOM 274 O ILE A 20 2.415 -3.606 -7.990 1.00 0.00 O ATOM 275 CB ILE A 20 0.779 -1.299 -9.745 1.00 0.00 C ATOM 276 CG1 ILE A 20 0.470 -0.657 -11.116 1.00 0.00 C ATOM 277 CG2 ILE A 20 1.809 -0.464 -8.977 1.00 0.00 C ATOM 278 CD1 ILE A 20 1.626 -0.641 -12.095 1.00 0.00 C ATOM 0 H ILE A 20 -0.586 -3.219 -10.768 1.00 0.00 H new ATOM 0 HA ILE A 20 2.252 -2.766 -10.361 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.148 -1.318 -9.172 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.363 -1.193 -11.571 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.139 0.368 -10.953 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.448 0.560 -8.880 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.958 -0.892 -7.986 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.755 -0.465 -9.519 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.308 -0.171 -13.026 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.456 -0.078 -11.669 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.947 -1.663 -12.296 1.00 0.00 H new ATOM 290 N VAL A 21 0.198 -3.680 -7.944 1.00 0.00 N ATOM 291 CA VAL A 21 0.113 -4.204 -6.591 1.00 0.00 C ATOM 292 C VAL A 21 0.413 -5.680 -6.552 1.00 0.00 C ATOM 293 O VAL A 21 0.912 -6.199 -5.579 1.00 0.00 O ATOM 294 CB VAL A 21 -1.295 -3.923 -6.054 1.00 0.00 C ATOM 295 CG1 VAL A 21 -1.509 -4.543 -4.683 1.00 0.00 C ATOM 296 CG2 VAL A 21 -1.533 -2.418 -6.038 1.00 0.00 C ATOM 0 H VAL A 21 -0.706 -3.561 -8.401 1.00 0.00 H new ATOM 0 HA VAL A 21 0.858 -3.713 -5.966 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.026 -4.389 -6.715 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.519 -4.321 -4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.376 -5.623 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.786 -4.130 -3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.533 -2.212 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.794 -1.940 -5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.442 -2.025 -7.050 1.00 0.00 H new ATOM 306 N LEU A 22 0.163 -6.325 -7.626 1.00 0.00 N ATOM 307 CA LEU A 22 0.324 -7.749 -7.687 1.00 0.00 C ATOM 308 C LEU A 22 1.669 -8.060 -8.357 1.00 0.00 C ATOM 309 O LEU A 22 1.889 -9.125 -8.940 1.00 0.00 O ATOM 310 CB LEU A 22 -0.908 -8.283 -8.416 1.00 0.00 C ATOM 311 CG LEU A 22 -1.281 -9.776 -8.314 1.00 0.00 C ATOM 312 CD1 LEU A 22 -0.832 -10.554 -9.538 1.00 0.00 C ATOM 313 CD2 LEU A 22 -0.723 -10.412 -7.051 1.00 0.00 C ATOM 0 H LEU A 22 -0.159 -5.895 -8.493 1.00 0.00 H new ATOM 0 HA LEU A 22 0.371 -8.240 -6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.766 -7.710 -8.064 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.783 -8.052 -9.474 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.369 -9.821 -8.264 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.113 -11.601 -9.427 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.310 -10.142 -10.427 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.251 -10.478 -9.640 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.008 -11.464 -7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.364 -10.330 -7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.124 -9.899 -6.177 1.00 0.00 H new ATOM 325 N ASP A 23 2.563 -7.105 -8.210 1.00 0.00 N ATOM 326 CA ASP A 23 3.935 -7.174 -8.712 1.00 0.00 C ATOM 327 C ASP A 23 4.721 -8.164 -7.854 1.00 0.00 C ATOM 328 O ASP A 23 4.418 -8.344 -6.674 1.00 0.00 O ATOM 329 CB ASP A 23 4.576 -5.796 -8.596 1.00 0.00 C ATOM 330 CG ASP A 23 5.902 -5.670 -9.288 1.00 0.00 C ATOM 331 OD1 ASP A 23 6.939 -5.966 -8.684 1.00 0.00 O1- ATOM 332 OD2 ASP A 23 5.944 -5.182 -10.443 1.00 0.00 O ATOM 0 H ASP A 23 2.358 -6.231 -7.725 1.00 0.00 H new ATOM 0 HA ASP A 23 3.938 -7.496 -9.753 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.892 -5.054 -9.009 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.706 -5.557 -7.541 1.00 0.00 H new ATOM 337 N ASP A 24 5.696 -8.828 -8.431 1.00 0.00 N ATOM 338 CA ASP A 24 6.450 -9.815 -7.672 1.00 0.00 C ATOM 339 C ASP A 24 7.915 -9.436 -7.517 1.00 0.00 C ATOM 340 O ASP A 24 8.710 -10.237 -7.022 1.00 0.00 O ATOM 341 CB ASP A 24 6.334 -11.227 -8.291 1.00 0.00 C ATOM 342 CG ASP A 24 7.196 -11.467 -9.525 1.00 0.00 C ATOM 343 OD1 ASP A 24 6.831 -11.014 -10.624 1.00 0.00 O1- ATOM 344 OD2 ASP A 24 8.233 -12.160 -9.420 1.00 0.00 O ATOM 0 H ASP A 24 5.986 -8.711 -9.402 1.00 0.00 H new ATOM 0 HA ASP A 24 6.002 -9.832 -6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.601 -11.962 -7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.292 -11.406 -8.555 1.00 0.00 H new ATOM 349 N THR A 25 8.291 -8.234 -7.884 1.00 0.00 N ATOM 350 CA THR A 25 9.700 -7.892 -7.808 1.00 0.00 C ATOM 351 C THR A 25 9.964 -6.776 -6.783 1.00 0.00 C ATOM 352 O THR A 25 11.098 -6.281 -6.657 1.00 0.00 O ATOM 353 CB THR A 25 10.315 -7.569 -9.223 1.00 0.00 C ATOM 354 OG1 THR A 25 11.739 -7.377 -9.138 1.00 0.00 O ATOM 355 CG2 THR A 25 9.698 -6.336 -9.838 1.00 0.00 C ATOM 0 H THR A 25 7.673 -7.498 -8.226 1.00 0.00 H new ATOM 0 HA THR A 25 10.221 -8.778 -7.446 1.00 0.00 H new ATOM 0 HB THR A 25 10.095 -8.428 -9.857 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.961 -6.951 -8.284 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.151 -6.150 -10.812 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.625 -6.488 -9.959 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.872 -5.479 -9.187 1.00 0.00 H new ATOM 363 N LYS A 26 8.933 -6.406 -6.054 1.00 0.00 N ATOM 364 CA LYS A 26 9.012 -5.412 -4.996 1.00 0.00 C ATOM 365 C LYS A 26 7.830 -5.582 -4.073 1.00 0.00 C ATOM 366 O LYS A 26 6.833 -6.176 -4.473 1.00 0.00 O ATOM 367 CB LYS A 26 9.076 -3.995 -5.587 1.00 0.00 C ATOM 368 CG LYS A 26 8.090 -3.759 -6.708 1.00 0.00 C ATOM 369 CD LYS A 26 8.333 -2.441 -7.399 1.00 0.00 C ATOM 370 CE LYS A 26 7.519 -2.348 -8.673 1.00 0.00 C ATOM 371 NZ LYS A 26 7.924 -3.386 -9.649 1.00 0.00 N1+ ATOM 0 H LYS A 26 7.997 -6.793 -6.180 1.00 0.00 H new ATOM 0 HA LYS A 26 9.926 -5.557 -4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.890 -3.271 -4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.084 -3.811 -5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.164 -4.569 -7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.075 -3.779 -6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.069 -1.621 -6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.393 -2.335 -7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.460 -2.459 -8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.645 -1.360 -9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.077 -3.793 -10.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.528 -2.959 -10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.452 -4.136 -9.159 1.00 0.00 H new ATOM 385 N ASP A 27 7.943 -5.089 -2.859 1.00 0.00 N ATOM 386 CA ASP A 27 6.876 -5.244 -1.878 1.00 0.00 C ATOM 387 C ASP A 27 5.884 -4.108 -2.040 1.00 0.00 C ATOM 388 O ASP A 27 6.266 -2.947 -2.002 1.00 0.00 O ATOM 389 CB ASP A 27 7.430 -5.242 -0.433 1.00 0.00 C ATOM 390 CG ASP A 27 8.327 -6.452 -0.062 1.00 0.00 C ATOM 391 OD1 ASP A 27 8.070 -7.608 -0.502 1.00 0.00 O1- ATOM 392 OD2 ASP A 27 9.290 -6.274 0.708 1.00 0.00 O ATOM 0 H ASP A 27 8.759 -4.578 -2.522 1.00 0.00 H new ATOM 0 HA ASP A 27 6.388 -6.203 -2.050 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.003 -4.327 -0.283 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.589 -5.209 0.260 1.00 0.00 H new ATOM 397 N VAL A 28 4.634 -4.410 -2.259 1.00 0.00 N ATOM 398 CA VAL A 28 3.647 -3.369 -2.435 1.00 0.00 C ATOM 399 C VAL A 28 2.602 -3.353 -1.309 1.00 0.00 C ATOM 400 O VAL A 28 1.867 -4.317 -1.108 1.00 0.00 O ATOM 401 CB VAL A 28 2.945 -3.468 -3.822 1.00 0.00 C ATOM 402 CG1 VAL A 28 1.968 -2.325 -4.018 1.00 0.00 C ATOM 403 CG2 VAL A 28 3.967 -3.474 -4.948 1.00 0.00 C ATOM 0 H VAL A 28 4.271 -5.361 -2.320 1.00 0.00 H new ATOM 0 HA VAL A 28 4.193 -2.427 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 28 2.392 -4.407 -3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.491 -2.417 -4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.207 -2.359 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.502 -1.376 -3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.452 -3.544 -5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.550 -2.553 -4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.633 -4.329 -4.831 1.00 0.00 H new ATOM 413 N LEU A 29 2.563 -2.259 -0.564 1.00 0.00 N ATOM 414 CA LEU A 29 1.545 -2.052 0.467 1.00 0.00 C ATOM 415 C LEU A 29 0.368 -1.387 -0.151 1.00 0.00 C ATOM 416 O LEU A 29 0.470 -0.233 -0.530 1.00 0.00 O ATOM 417 CB LEU A 29 2.026 -1.113 1.574 1.00 0.00 C ATOM 418 CG LEU A 29 2.530 -1.711 2.874 1.00 0.00 C ATOM 419 CD1 LEU A 29 2.803 -0.596 3.849 1.00 0.00 C ATOM 420 CD2 LEU A 29 1.516 -2.675 3.463 1.00 0.00 C ATOM 0 H LEU A 29 3.229 -1.492 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 29 1.313 -3.030 0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.827 -0.499 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.203 -0.441 1.817 1.00 0.00 H new ATOM 0 HG LEU A 29 3.445 -2.269 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.166 -1.014 4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.557 0.073 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.884 -0.039 4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.905 -3.088 4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.584 -2.146 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.330 -3.484 2.757 1.00 0.00 H new ATOM 432 N ILE A 30 -0.725 -2.062 -0.268 1.00 0.00 N ATOM 433 CA ILE A 30 -1.875 -1.411 -0.863 1.00 0.00 C ATOM 434 C ILE A 30 -2.910 -0.999 0.182 1.00 0.00 C ATOM 435 O ILE A 30 -3.115 -1.700 1.160 1.00 0.00 O ATOM 436 CB ILE A 30 -2.549 -2.259 -1.955 1.00 0.00 C ATOM 437 CG1 ILE A 30 -3.570 -1.410 -2.700 1.00 0.00 C ATOM 438 CG2 ILE A 30 -3.205 -3.503 -1.359 1.00 0.00 C ATOM 439 CD1 ILE A 30 -4.300 -2.134 -3.773 1.00 0.00 C ATOM 0 H ILE A 30 -0.860 -3.030 0.024 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.479 -0.513 -1.336 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.788 -2.598 -2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.293 -1.020 -1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.061 -0.552 -3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.674 -4.083 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.448 -4.111 -0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.962 -3.203 -0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.007 -1.457 -4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.589 -2.500 -4.513 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.840 -2.976 -3.341 1.00 0.00 H new ATOM 451 N GLU A 31 -3.530 0.133 -0.049 1.00 0.00 N ATOM 452 CA GLU A 31 -4.595 0.645 0.773 1.00 0.00 C ATOM 453 C GLU A 31 -5.870 0.744 -0.063 1.00 0.00 C ATOM 454 O GLU A 31 -5.926 1.500 -1.036 1.00 0.00 O ATOM 455 CB GLU A 31 -4.254 2.051 1.255 1.00 0.00 C ATOM 456 CG GLU A 31 -5.276 2.671 2.205 1.00 0.00 C ATOM 457 CD GLU A 31 -5.101 4.168 2.326 1.00 0.00 C ATOM 458 OE1 GLU A 31 -3.991 4.638 2.593 1.00 0.00 O ATOM 459 OE2 GLU A 31 -6.066 4.922 2.094 1.00 0.00 O1- ATOM 0 H GLU A 31 -3.300 0.739 -0.837 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.732 -0.024 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.286 2.023 1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.146 2.701 0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.282 2.451 1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.180 2.214 3.190 1.00 0.00 H new ATOM 466 N PHE A 32 -6.840 -0.047 0.258 1.00 0.00 N ATOM 467 CA PHE A 32 -8.162 0.098 -0.309 1.00 0.00 C ATOM 468 C PHE A 32 -8.769 1.225 0.415 1.00 0.00 C ATOM 469 O PHE A 32 -8.805 1.174 1.642 1.00 0.00 O ATOM 470 CB PHE A 32 -9.019 -1.119 -0.030 1.00 0.00 C ATOM 471 CG PHE A 32 -8.550 -2.371 -0.727 1.00 0.00 C ATOM 472 CD1 PHE A 32 -8.988 -2.658 -2.000 1.00 0.00 C ATOM 473 CD2 PHE A 32 -7.674 -3.248 -0.120 1.00 0.00 C ATOM 474 CE1 PHE A 32 -8.560 -3.794 -2.654 1.00 0.00 C ATOM 475 CE2 PHE A 32 -7.243 -4.380 -0.766 1.00 0.00 C ATOM 476 CZ PHE A 32 -7.686 -4.652 -2.034 1.00 0.00 C ATOM 0 H PHE A 32 -6.750 -0.817 0.921 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.097 0.237 -1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.038 -1.299 1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.044 -0.907 -0.336 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.675 -1.986 -2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.322 -3.040 0.880 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.912 -4.008 -3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.556 -5.055 -0.276 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.348 -5.541 -2.545 1.00 0.00 H new ATOM 486 N TYR A 33 -9.215 2.231 -0.276 1.00 0.00 N ATOM 487 CA TYR A 33 -9.737 3.366 0.420 1.00 0.00 C ATOM 488 C TYR A 33 -10.966 3.940 -0.219 1.00 0.00 C ATOM 489 O TYR A 33 -11.485 3.437 -1.222 1.00 0.00 O ATOM 490 CB TYR A 33 -8.674 4.468 0.542 1.00 0.00 C ATOM 491 CG TYR A 33 -8.348 5.259 -0.737 1.00 0.00 C ATOM 492 CD1 TYR A 33 -7.591 4.723 -1.767 1.00 0.00 C ATOM 493 CD2 TYR A 33 -8.805 6.562 -0.883 1.00 0.00 C ATOM 494 CE1 TYR A 33 -7.307 5.467 -2.909 1.00 0.00 C ATOM 495 CE2 TYR A 33 -8.530 7.301 -2.006 1.00 0.00 C ATOM 496 CZ TYR A 33 -7.784 6.757 -3.019 1.00 0.00 C ATOM 497 OH TYR A 33 -7.504 7.513 -4.150 1.00 0.00 O ATOM 0 H TYR A 33 -9.229 2.290 -1.294 1.00 0.00 H new ATOM 0 HA TYR A 33 -10.019 3.002 1.408 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.002 5.174 1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -7.752 4.013 0.905 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.216 3.714 -1.682 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.392 7.005 -0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.717 5.037 -3.704 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.901 8.311 -2.092 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.917 8.397 -4.063 1.00 0.00 H new ATOM 507 N ALA A 34 -11.386 5.008 0.394 1.00 0.00 N ATOM 508 CA ALA A 34 -12.457 5.849 0.000 1.00 0.00 C ATOM 509 C ALA A 34 -12.014 7.225 0.466 1.00 0.00 C ATOM 510 O ALA A 34 -11.350 7.313 1.499 1.00 0.00 O ATOM 511 CB ALA A 34 -13.749 5.438 0.699 1.00 0.00 C ATOM 0 H ALA A 34 -10.944 5.332 1.254 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.662 5.805 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.559 6.096 0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.994 4.409 0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.619 5.515 1.778 1.00 0.00 H new ATOM 517 N PRO A 35 -12.373 8.308 -0.214 1.00 0.00 N ATOM 518 CA PRO A 35 -11.843 9.629 0.123 1.00 0.00 C ATOM 519 C PRO A 35 -12.577 10.202 1.312 1.00 0.00 C ATOM 520 O PRO A 35 -12.092 11.063 2.031 1.00 0.00 O ATOM 521 CB PRO A 35 -12.109 10.455 -1.133 1.00 0.00 C ATOM 522 CG PRO A 35 -13.058 9.657 -1.991 1.00 0.00 C ATOM 523 CD PRO A 35 -13.362 8.371 -1.284 1.00 0.00 C ATOM 0 HA PRO A 35 -10.788 9.611 0.397 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.542 11.421 -0.875 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.180 10.654 -1.668 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -13.975 10.219 -2.168 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.613 9.458 -2.966 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -14.378 8.365 -0.888 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -13.276 7.517 -1.956 1.00 0.00 H new ATOM 531 N TRP A 36 -13.730 9.666 1.509 1.00 0.00 N ATOM 532 CA TRP A 36 -14.614 10.047 2.603 1.00 0.00 C ATOM 533 C TRP A 36 -14.499 9.112 3.783 1.00 0.00 C ATOM 534 O TRP A 36 -15.243 9.209 4.757 1.00 0.00 O ATOM 535 CB TRP A 36 -16.046 10.162 2.113 1.00 0.00 C ATOM 536 CG TRP A 36 -16.450 9.113 1.119 1.00 0.00 C ATOM 537 CD1 TRP A 36 -16.698 7.791 1.347 1.00 0.00 C ATOM 538 CD2 TRP A 36 -16.666 9.326 -0.281 1.00 0.00 C ATOM 539 NE1 TRP A 36 -17.017 7.171 0.164 1.00 0.00 N ATOM 540 CE2 TRP A 36 -17.018 8.093 -0.841 1.00 0.00 C ATOM 541 CE3 TRP A 36 -16.587 10.447 -1.113 1.00 0.00 C ATOM 542 CZ2 TRP A 36 -17.291 7.942 -2.194 1.00 0.00 C ATOM 543 CZ3 TRP A 36 -16.862 10.297 -2.453 1.00 0.00 C ATOM 544 CH2 TRP A 36 -17.210 9.053 -2.982 1.00 0.00 C ATOM 0 H TRP A 36 -14.112 8.932 0.912 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.297 11.027 2.959 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -16.716 10.108 2.971 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -16.184 11.145 1.662 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -16.651 7.306 2.311 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -17.221 6.178 0.054 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -16.315 11.412 -0.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -17.558 6.981 -2.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -16.808 11.156 -3.106 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -17.420 8.968 -4.038 1.00 0.00 H new ATOM 555 N CYS A 37 -13.547 8.246 3.708 1.00 0.00 N ATOM 556 CA CYS A 37 -13.306 7.301 4.769 1.00 0.00 C ATOM 557 C CYS A 37 -12.497 7.931 5.882 1.00 0.00 C ATOM 558 O CYS A 37 -11.391 8.431 5.650 1.00 0.00 O ATOM 559 CB CYS A 37 -12.607 6.052 4.255 1.00 0.00 C ATOM 560 SG CYS A 37 -12.073 4.909 5.542 1.00 0.00 S ATOM 0 H CYS A 37 -12.910 8.165 2.916 1.00 0.00 H new ATOM 0 HA CYS A 37 -14.277 7.007 5.167 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -13.281 5.527 3.578 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -11.738 6.353 3.670 1.00 0.00 H new ATOM 0 HG CYS A 37 -11.014 4.270 5.143 1.00 0.00 H new ATOM 566 N GLY A 38 -13.040 7.882 7.086 1.00 0.00 N ATOM 567 CA GLY A 38 -12.369 8.425 8.247 1.00 0.00 C ATOM 568 C GLY A 38 -11.048 7.741 8.520 1.00 0.00 C ATOM 569 O GLY A 38 -10.054 8.394 8.820 1.00 0.00 O ATOM 0 H GLY A 38 -13.951 7.468 7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.199 9.492 8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.016 8.322 9.118 1.00 0.00 H new ATOM 573 N HIS A 39 -11.023 6.424 8.365 1.00 0.00 N ATOM 574 CA HIS A 39 -9.792 5.666 8.585 1.00 0.00 C ATOM 575 C HIS A 39 -8.757 5.984 7.516 1.00 0.00 C ATOM 576 O HIS A 39 -7.578 6.082 7.806 1.00 0.00 O ATOM 577 CB HIS A 39 -10.039 4.151 8.676 1.00 0.00 C ATOM 578 CG HIS A 39 -10.753 3.701 9.928 1.00 0.00 C ATOM 579 ND1 HIS A 39 -10.935 2.382 10.253 1.00 0.00 N ATOM 580 CD2 HIS A 39 -11.345 4.407 10.923 1.00 0.00 C ATOM 581 CE1 HIS A 39 -11.604 2.289 11.379 1.00 0.00 C ATOM 582 NE2 HIS A 39 -11.865 3.502 11.806 1.00 0.00 N ATOM 0 H HIS A 39 -11.829 5.861 8.091 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.399 5.980 9.552 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -10.623 3.839 7.810 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.080 3.636 8.616 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.396 5.483 11.003 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.891 1.371 11.870 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.374 3.733 12.659 1.00 0.00 H new ATOM 591 N CYS A 40 -9.217 6.201 6.294 1.00 0.00 N ATOM 592 CA CYS A 40 -8.327 6.564 5.201 1.00 0.00 C ATOM 593 C CYS A 40 -7.717 7.928 5.455 1.00 0.00 C ATOM 594 O CYS A 40 -6.540 8.158 5.199 1.00 0.00 O ATOM 595 CB CYS A 40 -9.053 6.556 3.869 1.00 0.00 C ATOM 596 SG CYS A 40 -8.016 7.022 2.482 1.00 0.00 S ATOM 0 H CYS A 40 -10.201 6.132 6.034 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.533 5.819 5.154 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -9.457 5.559 3.691 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -9.901 7.239 3.923 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.023 6.189 2.384 1.00 0.00 H new ATOM 602 N LYS A 41 -8.506 8.811 6.021 1.00 0.00 N ATOM 603 CA LYS A 41 -8.032 10.147 6.354 1.00 0.00 C ATOM 604 C LYS A 41 -7.050 10.108 7.544 1.00 0.00 C ATOM 605 O LYS A 41 -6.390 11.090 7.859 1.00 0.00 O ATOM 606 CB LYS A 41 -9.201 11.118 6.601 1.00 0.00 C ATOM 607 CG LYS A 41 -10.107 11.307 5.374 1.00 0.00 C ATOM 608 CD LYS A 41 -11.227 12.327 5.605 1.00 0.00 C ATOM 609 CE LYS A 41 -12.196 11.885 6.694 1.00 0.00 C ATOM 610 NZ LYS A 41 -13.335 12.819 6.845 1.00 0.00 N1+ ATOM 0 H LYS A 41 -9.481 8.635 6.263 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.483 10.529 5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.801 10.749 7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.802 12.087 6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.500 11.628 4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.548 10.347 5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.790 13.287 5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.774 12.479 4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.574 10.890 6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.664 11.808 7.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.967 12.477 7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.979 13.763 7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.861 12.873 5.949 1.00 0.00 H new ATOM 624 N ALA A 42 -6.957 8.958 8.185 1.00 0.00 N ATOM 625 CA ALA A 42 -6.004 8.741 9.258 1.00 0.00 C ATOM 626 C ALA A 42 -4.757 8.079 8.689 1.00 0.00 C ATOM 627 O ALA A 42 -3.673 8.146 9.246 1.00 0.00 O ATOM 628 CB ALA A 42 -6.612 7.855 10.318 1.00 0.00 C ATOM 0 H ALA A 42 -7.540 8.147 7.977 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.741 9.698 9.709 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.890 7.698 11.119 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.505 8.332 10.723 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.881 6.895 9.879 1.00 0.00 H new ATOM 634 N LEU A 43 -4.924 7.457 7.568 1.00 0.00 N ATOM 635 CA LEU A 43 -3.853 6.762 6.891 1.00 0.00 C ATOM 636 C LEU A 43 -3.104 7.705 5.986 1.00 0.00 C ATOM 637 O LEU A 43 -1.965 7.544 5.739 1.00 0.00 O ATOM 638 CB LEU A 43 -4.418 5.606 6.087 1.00 0.00 C ATOM 639 CG LEU A 43 -5.015 4.445 6.894 1.00 0.00 C ATOM 640 CD1 LEU A 43 -5.664 3.426 5.978 1.00 0.00 C ATOM 641 CD2 LEU A 43 -3.955 3.777 7.758 1.00 0.00 C ATOM 0 H LEU A 43 -5.819 7.411 7.081 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.159 6.374 7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.191 5.995 5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.625 5.210 5.453 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.781 4.858 7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.079 2.613 6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.462 3.904 5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.918 3.027 5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.406 2.958 8.319 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.160 3.387 7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.539 4.507 8.453 1.00 0.00 H new ATOM 653 N ALA A 44 -3.756 8.724 5.611 1.00 0.00 N ATOM 654 CA ALA A 44 -3.272 9.732 4.677 1.00 0.00 C ATOM 655 C ALA A 44 -1.888 10.310 5.034 1.00 0.00 C ATOM 656 O ALA A 44 -0.977 10.238 4.212 1.00 0.00 O ATOM 657 CB ALA A 44 -4.280 10.848 4.539 1.00 0.00 C ATOM 0 H ALA A 44 -4.699 8.919 5.947 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.148 9.217 3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.904 11.593 3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.222 10.444 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.443 11.314 5.511 1.00 0.00 H new ATOM 663 N PRO A 45 -1.662 10.816 6.286 1.00 0.00 N ATOM 664 CA PRO A 45 -0.409 11.494 6.617 1.00 0.00 C ATOM 665 C PRO A 45 0.752 10.547 6.682 1.00 0.00 C ATOM 666 O PRO A 45 1.892 10.921 6.442 1.00 0.00 O ATOM 667 CB PRO A 45 -0.643 12.081 7.985 1.00 0.00 C ATOM 668 CG PRO A 45 -2.078 11.846 8.317 1.00 0.00 C ATOM 669 CD PRO A 45 -2.546 10.732 7.465 1.00 0.00 C ATOM 0 HA PRO A 45 -0.160 12.234 5.857 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.006 11.611 8.723 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.414 13.147 7.992 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.193 11.598 9.372 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.668 12.744 8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.452 9.771 7.971 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.595 10.847 7.191 1.00 0.00 H new ATOM 677 N LYS A 46 0.456 9.323 6.989 1.00 0.00 N ATOM 678 CA LYS A 46 1.511 8.303 7.063 1.00 0.00 C ATOM 679 C LYS A 46 1.726 7.762 5.710 1.00 0.00 C ATOM 680 O LYS A 46 2.816 7.472 5.333 1.00 0.00 O ATOM 681 CB LYS A 46 1.149 7.147 8.010 1.00 0.00 C ATOM 682 CG LYS A 46 -0.115 6.444 7.600 1.00 0.00 C ATOM 683 CD LYS A 46 -0.549 5.342 8.500 1.00 0.00 C ATOM 684 CE LYS A 46 -0.600 5.768 9.958 1.00 0.00 C ATOM 685 NZ LYS A 46 -1.427 6.964 10.206 1.00 0.00 N1+ ATOM 0 H LYS A 46 -0.485 8.987 7.193 1.00 0.00 H new ATOM 0 HA LYS A 46 2.411 8.776 7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.969 6.430 8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.035 7.533 9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.917 7.179 7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.022 6.039 6.597 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.534 4.992 8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.135 4.500 8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.987 4.941 10.554 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.415 5.963 10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.791 6.938 11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.849 7.819 10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.224 6.979 9.538 1.00 0.00 H new ATOM 699 N TYR A 47 0.686 7.717 4.957 1.00 0.00 N ATOM 700 CA TYR A 47 0.726 7.072 3.713 1.00 0.00 C ATOM 701 C TYR A 47 1.433 7.907 2.689 1.00 0.00 C ATOM 702 O TYR A 47 2.133 7.392 1.839 1.00 0.00 O ATOM 703 CB TYR A 47 -0.654 6.674 3.285 1.00 0.00 C ATOM 704 CG TYR A 47 -0.746 5.235 2.983 1.00 0.00 C ATOM 705 CD1 TYR A 47 -0.569 4.307 3.983 1.00 0.00 C ATOM 706 CD2 TYR A 47 -1.001 4.800 1.717 1.00 0.00 C ATOM 707 CE1 TYR A 47 -0.643 2.967 3.726 1.00 0.00 C ATOM 708 CE2 TYR A 47 -1.083 3.465 1.430 1.00 0.00 C ATOM 709 CZ TYR A 47 -0.900 2.537 2.439 1.00 0.00 C ATOM 710 OH TYR A 47 -0.977 1.187 2.159 1.00 0.00 O ATOM 0 H TYR A 47 -0.215 8.131 5.195 1.00 0.00 H new ATOM 0 HA TYR A 47 1.308 6.156 3.812 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.364 6.925 4.073 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.940 7.248 2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.368 4.644 4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.141 5.522 0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.502 2.251 4.522 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.289 3.138 0.422 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.165 1.061 1.206 1.00 0.00 H new ATOM 720 N GLU A 48 1.296 9.197 2.801 1.00 0.00 N ATOM 721 CA GLU A 48 1.986 10.079 1.910 1.00 0.00 C ATOM 722 C GLU A 48 3.407 10.329 2.362 1.00 0.00 C ATOM 723 O GLU A 48 4.237 10.657 1.579 1.00 0.00 O ATOM 724 CB GLU A 48 1.242 11.379 1.733 1.00 0.00 C ATOM 725 CG GLU A 48 -0.103 11.193 1.068 1.00 0.00 C ATOM 726 CD GLU A 48 -0.849 12.474 0.864 1.00 0.00 C ATOM 727 OE1 GLU A 48 -0.686 13.109 -0.203 1.00 0.00 O1- ATOM 728 OE2 GLU A 48 -1.656 12.848 1.733 1.00 0.00 O ATOM 0 H GLU A 48 0.714 9.659 3.500 1.00 0.00 H new ATOM 0 HA GLU A 48 2.029 9.583 0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.100 11.848 2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.847 12.061 1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.042 10.708 0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.710 10.521 1.675 1.00 0.00 H new ATOM 735 N GLU A 49 3.681 10.106 3.610 1.00 0.00 N ATOM 736 CA GLU A 49 4.996 10.348 4.148 1.00 0.00 C ATOM 737 C GLU A 49 5.841 9.117 3.917 1.00 0.00 C ATOM 738 O GLU A 49 6.925 9.181 3.344 1.00 0.00 O ATOM 739 CB GLU A 49 4.882 10.639 5.634 1.00 0.00 C ATOM 740 CG GLU A 49 6.179 10.992 6.315 1.00 0.00 C ATOM 741 CD GLU A 49 5.984 11.230 7.780 1.00 0.00 C ATOM 742 OE1 GLU A 49 5.612 12.360 8.173 1.00 0.00 O ATOM 743 OE2 GLU A 49 6.214 10.319 8.578 1.00 0.00 O1- ATOM 0 H GLU A 49 3.006 9.752 4.288 1.00 0.00 H new ATOM 0 HA GLU A 49 5.460 11.204 3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.180 11.460 5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.455 9.766 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.898 10.186 6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.602 11.884 5.854 1.00 0.00 H new ATOM 750 N LEU A 50 5.283 7.986 4.283 1.00 0.00 N ATOM 751 CA LEU A 50 5.947 6.718 4.180 1.00 0.00 C ATOM 752 C LEU A 50 5.965 6.354 2.742 1.00 0.00 C ATOM 753 O LEU A 50 6.925 5.823 2.228 1.00 0.00 O ATOM 754 CB LEU A 50 5.134 5.721 5.007 1.00 0.00 C ATOM 755 CG LEU A 50 5.712 4.309 5.317 1.00 0.00 C ATOM 756 CD1 LEU A 50 5.657 3.389 4.122 1.00 0.00 C ATOM 757 CD2 LEU A 50 7.136 4.407 5.824 1.00 0.00 C ATOM 0 H LEU A 50 4.340 7.926 4.666 1.00 0.00 H new ATOM 0 HA LEU A 50 6.971 6.732 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.913 6.197 5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.182 5.576 4.495 1.00 0.00 H new ATOM 0 HG LEU A 50 5.081 3.880 6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.072 2.418 4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.621 3.266 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.238 3.818 3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.517 3.408 6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.760 4.882 5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.157 5.002 6.737 1.00 0.00 H new ATOM 769 N GLY A 51 4.897 6.696 2.096 1.00 0.00 N ATOM 770 CA GLY A 51 4.770 6.433 0.687 1.00 0.00 C ATOM 771 C GLY A 51 5.681 7.251 -0.138 1.00 0.00 C ATOM 772 O GLY A 51 6.174 6.791 -1.142 1.00 0.00 O ATOM 0 H GLY A 51 4.093 7.161 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.969 5.378 0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.742 6.622 0.379 1.00 0.00 H new ATOM 776 N ALA A 52 5.888 8.469 0.267 1.00 0.00 N ATOM 777 CA ALA A 52 6.861 9.315 -0.372 1.00 0.00 C ATOM 778 C ALA A 52 8.193 8.689 -0.231 1.00 0.00 C ATOM 779 O ALA A 52 8.829 8.344 -1.200 1.00 0.00 O ATOM 780 CB ALA A 52 6.849 10.694 0.256 1.00 0.00 C ATOM 0 H ALA A 52 5.392 8.905 1.044 1.00 0.00 H new ATOM 0 HA ALA A 52 6.621 9.427 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.590 11.324 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.860 11.138 0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.089 10.613 1.316 1.00 0.00 H new ATOM 786 N LEU A 53 8.543 8.418 0.968 1.00 0.00 N ATOM 787 CA LEU A 53 9.863 7.881 1.248 1.00 0.00 C ATOM 788 C LEU A 53 10.075 6.528 0.572 1.00 0.00 C ATOM 789 O LEU A 53 11.135 6.263 -0.001 1.00 0.00 O ATOM 790 CB LEU A 53 10.126 7.772 2.749 1.00 0.00 C ATOM 791 CG LEU A 53 10.037 9.064 3.557 1.00 0.00 C ATOM 792 CD1 LEU A 53 10.270 8.781 5.030 1.00 0.00 C ATOM 793 CD2 LEU A 53 11.034 10.087 3.047 1.00 0.00 C ATOM 0 H LEU A 53 7.950 8.551 1.787 1.00 0.00 H new ATOM 0 HA LEU A 53 10.581 8.587 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.416 7.059 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.121 7.350 2.890 1.00 0.00 H new ATOM 0 HG LEU A 53 9.036 9.477 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.204 9.711 5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.514 8.083 5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.260 8.345 5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.953 11.000 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.044 9.686 3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.823 10.311 2.001 1.00 0.00 H new ATOM 805 N TYR A 54 9.065 5.710 0.572 1.00 0.00 N ATOM 806 CA TYR A 54 9.206 4.395 0.021 1.00 0.00 C ATOM 807 C TYR A 54 9.017 4.331 -1.476 1.00 0.00 C ATOM 808 O TYR A 54 9.434 3.404 -2.088 1.00 0.00 O ATOM 809 CB TYR A 54 8.366 3.370 0.756 1.00 0.00 C ATOM 810 CG TYR A 54 8.998 2.886 2.063 1.00 0.00 C ATOM 811 CD1 TYR A 54 9.597 3.780 2.951 1.00 0.00 C ATOM 812 CD2 TYR A 54 9.033 1.541 2.387 1.00 0.00 C ATOM 813 CE1 TYR A 54 10.200 3.347 4.116 1.00 0.00 C ATOM 814 CE2 TYR A 54 9.640 1.100 3.552 1.00 0.00 C ATOM 815 CZ TYR A 54 10.221 2.007 4.411 1.00 0.00 C ATOM 816 OH TYR A 54 10.846 1.564 5.564 1.00 0.00 O ATOM 0 H TYR A 54 8.141 5.927 0.944 1.00 0.00 H new ATOM 0 HA TYR A 54 10.250 4.128 0.184 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.388 3.801 0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.199 2.513 0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.589 4.835 2.722 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.579 0.823 1.720 1.00 0.00 H new ATOM 0 HE1 TYR A 54 10.652 4.059 4.791 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.658 0.046 3.786 1.00 0.00 H new ATOM 0 HH TYR A 54 11.361 0.754 5.366 1.00 0.00 H new ATOM 826 N ALA A 55 8.379 5.305 -2.037 1.00 0.00 N ATOM 827 CA ALA A 55 8.214 5.376 -3.492 1.00 0.00 C ATOM 828 C ALA A 55 8.924 6.611 -4.106 1.00 0.00 C ATOM 829 O ALA A 55 8.572 7.060 -5.209 1.00 0.00 O ATOM 830 CB ALA A 55 6.734 5.350 -3.865 1.00 0.00 C ATOM 0 H ALA A 55 7.953 6.078 -1.525 1.00 0.00 H new ATOM 0 HA ALA A 55 8.695 4.495 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.631 5.404 -4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.284 4.426 -3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.229 6.202 -3.410 1.00 0.00 H new ATOM 836 N LYS A 56 9.917 7.155 -3.401 1.00 0.00 N ATOM 837 CA LYS A 56 10.708 8.295 -3.919 1.00 0.00 C ATOM 838 C LYS A 56 12.167 8.144 -3.514 1.00 0.00 C ATOM 839 O LYS A 56 13.079 8.411 -4.294 1.00 0.00 O ATOM 840 CB LYS A 56 10.231 9.610 -3.304 1.00 0.00 C ATOM 841 CG LYS A 56 10.330 10.835 -4.202 1.00 0.00 C ATOM 842 CD LYS A 56 9.345 10.797 -5.362 1.00 0.00 C ATOM 843 CE LYS A 56 7.897 10.720 -4.876 1.00 0.00 C ATOM 844 NZ LYS A 56 6.937 10.876 -6.003 1.00 0.00 N1+ ATOM 0 H LYS A 56 10.199 6.834 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 56 10.588 8.304 -5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.192 9.490 -2.998 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.810 9.798 -2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.150 11.731 -3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.344 10.911 -4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.475 11.687 -5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.562 9.937 -5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.728 9.763 -4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.719 11.498 -4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.178 10.171 -5.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.527 11.832 -5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.435 10.734 -6.905 1.00 0.00 H new ATOM 858 N SER A 57 12.379 7.738 -2.281 1.00 0.00 N ATOM 859 CA SER A 57 13.708 7.647 -1.729 1.00 0.00 C ATOM 860 C SER A 57 14.334 6.270 -2.011 1.00 0.00 C ATOM 861 O SER A 57 13.923 5.571 -2.934 1.00 0.00 O ATOM 862 CB SER A 57 13.646 7.958 -0.231 1.00 0.00 C ATOM 863 OG SER A 57 13.081 9.254 -0.014 1.00 0.00 O ATOM 0 H SER A 57 11.637 7.463 -1.637 1.00 0.00 H new ATOM 0 HA SER A 57 14.356 8.380 -2.210 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.047 7.203 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.647 7.914 0.198 1.00 0.00 H new ATOM 0 HG SER A 57 13.046 9.439 0.948 1.00 0.00 H new ATOM 869 N GLU A 58 15.287 5.874 -1.199 1.00 0.00 N ATOM 870 CA GLU A 58 16.098 4.660 -1.405 1.00 0.00 C ATOM 871 C GLU A 58 15.329 3.336 -1.227 1.00 0.00 C ATOM 872 O GLU A 58 15.931 2.278 -1.122 1.00 0.00 O ATOM 873 CB GLU A 58 17.268 4.716 -0.452 1.00 0.00 C ATOM 874 CG GLU A 58 18.054 5.997 -0.591 1.00 0.00 C ATOM 875 CD GLU A 58 19.145 6.118 0.416 1.00 0.00 C ATOM 876 OE1 GLU A 58 18.849 6.323 1.609 1.00 0.00 O ATOM 877 OE2 GLU A 58 20.322 6.012 0.047 1.00 0.00 O1- ATOM 0 H GLU A 58 15.538 6.387 -0.354 1.00 0.00 H new ATOM 0 HA GLU A 58 16.420 4.658 -2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 58 16.906 4.623 0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 58 17.925 3.866 -0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.483 6.048 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.377 6.846 -0.490 1.00 0.00 H new ATOM 884 N PHE A 59 14.024 3.378 -1.257 1.00 0.00 N ATOM 885 CA PHE A 59 13.247 2.154 -1.062 1.00 0.00 C ATOM 886 C PHE A 59 12.300 1.974 -2.187 1.00 0.00 C ATOM 887 O PHE A 59 11.628 0.980 -2.246 1.00 0.00 O ATOM 888 CB PHE A 59 12.383 2.171 0.174 1.00 0.00 C ATOM 889 CG PHE A 59 13.028 2.650 1.445 1.00 0.00 C ATOM 890 CD1 PHE A 59 13.102 4.002 1.744 1.00 0.00 C ATOM 891 CD2 PHE A 59 13.544 1.741 2.346 1.00 0.00 C ATOM 892 CE1 PHE A 59 13.683 4.433 2.917 1.00 0.00 C ATOM 893 CE2 PHE A 59 14.125 2.162 3.523 1.00 0.00 C ATOM 894 CZ PHE A 59 14.196 3.512 3.809 1.00 0.00 C ATOM 0 H PHE A 59 13.472 4.222 -1.411 1.00 0.00 H new ATOM 0 HA PHE A 59 13.990 1.361 -0.982 1.00 0.00 H new ATOM 0 HB2 PHE A 59 11.516 2.801 -0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.010 1.161 0.342 1.00 0.00 H new ATOM 0 HD1 PHE A 59 12.700 4.725 1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 59 13.492 0.685 2.126 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.737 5.489 3.138 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.523 1.439 4.219 1.00 0.00 H new ATOM 0 HZ PHE A 59 14.652 3.846 4.729 1.00 0.00 H new ATOM 904 N LYS A 60 12.283 2.918 -3.110 1.00 0.00 N ATOM 905 CA LYS A 60 11.313 2.935 -4.217 1.00 0.00 C ATOM 906 C LYS A 60 11.623 1.811 -5.202 1.00 0.00 C ATOM 907 O LYS A 60 10.882 1.538 -6.138 1.00 0.00 O ATOM 908 CB LYS A 60 11.422 4.287 -4.903 1.00 0.00 C ATOM 909 CG LYS A 60 12.782 4.467 -5.489 1.00 0.00 C ATOM 910 CD LYS A 60 13.020 5.789 -6.139 1.00 0.00 C ATOM 911 CE LYS A 60 14.366 5.766 -6.832 1.00 0.00 C ATOM 912 NZ LYS A 60 15.468 5.296 -5.952 1.00 0.00 N1+ ATOM 0 H LYS A 60 12.937 3.700 -3.123 1.00 0.00 H new ATOM 0 HA LYS A 60 10.301 2.782 -3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.669 4.366 -5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.220 5.083 -4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.522 4.329 -4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.950 3.682 -6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.230 6.001 -6.859 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.994 6.584 -5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.306 5.118 -7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.599 6.768 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 16.376 5.654 -6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.315 5.649 -4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.485 4.256 -5.942 1.00 0.00 H new ATOM 926 N ASP A 61 12.738 1.182 -4.966 1.00 0.00 N ATOM 927 CA ASP A 61 13.234 0.122 -5.771 1.00 0.00 C ATOM 928 C ASP A 61 12.997 -1.166 -5.028 1.00 0.00 C ATOM 929 O ASP A 61 13.249 -2.263 -5.550 1.00 0.00 O ATOM 930 CB ASP A 61 14.751 0.290 -5.960 1.00 0.00 C ATOM 931 CG ASP A 61 15.165 1.628 -6.534 1.00 0.00 C ATOM 932 OD1 ASP A 61 15.361 2.605 -5.756 1.00 0.00 O ATOM 933 OD2 ASP A 61 15.353 1.730 -7.760 1.00 0.00 O1- ATOM 0 H ASP A 61 13.343 1.408 -4.177 1.00 0.00 H new ATOM 0 HA ASP A 61 12.737 0.122 -6.741 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.242 0.154 -4.996 1.00 0.00 H new ATOM 0 HB3 ASP A 61 15.113 -0.501 -6.617 1.00 0.00 H new ATOM 938 N ARG A 62 12.531 -1.044 -3.791 1.00 0.00 N ATOM 939 CA ARG A 62 12.388 -2.189 -2.946 1.00 0.00 C ATOM 940 C ARG A 62 10.935 -2.439 -2.621 1.00 0.00 C ATOM 941 O ARG A 62 10.427 -3.557 -2.709 1.00 0.00 O ATOM 942 CB ARG A 62 13.222 -1.965 -1.683 1.00 0.00 C ATOM 943 CG ARG A 62 13.308 -3.184 -0.820 1.00 0.00 C ATOM 944 CD ARG A 62 14.595 -3.285 0.021 1.00 0.00 C ATOM 945 NE ARG A 62 14.776 -2.235 1.045 1.00 0.00 N ATOM 946 CZ ARG A 62 15.133 -2.470 2.335 1.00 0.00 C ATOM 947 NH1 ARG A 62 15.252 -3.722 2.776 1.00 0.00 N1+ ATOM 948 NH2 ARG A 62 15.385 -1.444 3.164 1.00 0.00 N ATOM 0 H ARG A 62 12.251 -0.160 -3.366 1.00 0.00 H new ATOM 0 HA ARG A 62 12.750 -3.080 -3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.228 -1.655 -1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.788 -1.148 -1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.449 -3.199 -0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.233 -4.068 -1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.608 -4.256 0.516 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.451 -3.260 -0.654 1.00 0.00 H new ATOM 0 HE ARG A 62 14.622 -1.267 0.764 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.075 -4.504 2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.520 -3.898 3.744 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.309 -0.485 2.826 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.653 -1.624 4.132 1.00 0.00 H new ATOM 962 N VAL A 63 10.314 -1.405 -2.241 1.00 0.00 N ATOM 963 CA VAL A 63 8.914 -1.376 -1.872 1.00 0.00 C ATOM 964 C VAL A 63 8.217 -0.257 -2.647 1.00 0.00 C ATOM 965 O VAL A 63 8.860 0.678 -3.093 1.00 0.00 O ATOM 966 CB VAL A 63 8.786 -1.048 -0.364 1.00 0.00 C ATOM 967 CG1 VAL A 63 7.354 -1.063 0.152 1.00 0.00 C ATOM 968 CG2 VAL A 63 9.690 -1.901 0.475 1.00 0.00 C ATOM 0 H VAL A 63 10.765 -0.493 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 63 8.465 -2.344 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 63 9.120 -0.015 -0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.348 -0.824 1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.764 -0.323 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.923 -2.053 0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.568 -1.637 1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.435 -2.951 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.726 -1.736 0.178 1.00 0.00 H new ATOM 978 N VAL A 64 6.933 -0.392 -2.829 1.00 0.00 N ATOM 979 CA VAL A 64 6.088 0.631 -3.391 1.00 0.00 C ATOM 980 C VAL A 64 4.828 0.689 -2.544 1.00 0.00 C ATOM 981 O VAL A 64 4.222 -0.346 -2.253 1.00 0.00 O ATOM 982 CB VAL A 64 5.716 0.352 -4.889 1.00 0.00 C ATOM 983 CG1 VAL A 64 4.643 1.318 -5.382 1.00 0.00 C ATOM 984 CG2 VAL A 64 6.946 0.481 -5.773 1.00 0.00 C ATOM 0 H VAL A 64 6.427 -1.243 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 64 6.624 1.580 -3.383 1.00 0.00 H new ATOM 0 HB VAL A 64 5.327 -0.665 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.407 1.099 -6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.745 1.205 -4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.010 2.341 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.671 0.284 -6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.350 1.490 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.700 -0.239 -5.455 1.00 0.00 H new ATOM 994 N ILE A 65 4.471 1.856 -2.080 1.00 0.00 N ATOM 995 CA ILE A 65 3.268 1.998 -1.327 1.00 0.00 C ATOM 996 C ILE A 65 2.194 2.399 -2.332 1.00 0.00 C ATOM 997 O ILE A 65 2.404 3.331 -3.113 1.00 0.00 O ATOM 998 CB ILE A 65 3.453 3.082 -0.214 1.00 0.00 C ATOM 999 CG1 ILE A 65 4.738 2.804 0.587 1.00 0.00 C ATOM 1000 CG2 ILE A 65 2.265 3.108 0.743 1.00 0.00 C ATOM 1001 CD1 ILE A 65 4.750 1.473 1.316 1.00 0.00 C ATOM 0 H ILE A 65 5.000 2.718 -2.213 1.00 0.00 H new ATOM 0 HA ILE A 65 2.991 1.076 -0.815 1.00 0.00 H new ATOM 0 HB ILE A 65 3.523 4.051 -0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.589 2.839 -0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.878 3.604 1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.427 3.872 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.355 3.336 0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.163 2.135 1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.692 1.361 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.922 1.438 2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.645 0.662 0.595 1.00 0.00 H new ATOM 1013 N ALA A 66 1.102 1.677 -2.364 1.00 0.00 N ATOM 1014 CA ALA A 66 0.042 1.909 -3.323 1.00 0.00 C ATOM 1015 C ALA A 66 -1.324 2.018 -2.637 1.00 0.00 C ATOM 1016 O ALA A 66 -1.470 1.661 -1.475 1.00 0.00 O ATOM 1017 CB ALA A 66 0.023 0.789 -4.350 1.00 0.00 C ATOM 0 H ALA A 66 0.919 0.905 -1.722 1.00 0.00 H new ATOM 0 HA ALA A 66 0.239 2.858 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.776 0.968 -5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.980 0.757 -4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.148 -0.163 -3.847 1.00 0.00 H new ATOM 1023 N LYS A 67 -2.314 2.514 -3.360 1.00 0.00 N ATOM 1024 CA LYS A 67 -3.662 2.660 -2.851 1.00 0.00 C ATOM 1025 C LYS A 67 -4.592 2.379 -4.002 1.00 0.00 C ATOM 1026 O LYS A 67 -4.245 2.670 -5.127 1.00 0.00 O ATOM 1027 CB LYS A 67 -3.940 4.116 -2.412 1.00 0.00 C ATOM 1028 CG LYS A 67 -2.990 4.717 -1.386 1.00 0.00 C ATOM 1029 CD LYS A 67 -3.166 6.235 -1.300 1.00 0.00 C ATOM 1030 CE LYS A 67 -4.456 6.650 -0.619 1.00 0.00 C ATOM 1031 NZ LYS A 67 -4.342 6.635 0.850 1.00 0.00 N1+ ATOM 0 H LYS A 67 -2.201 2.828 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.798 1.991 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.924 4.747 -3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.951 4.161 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.174 4.270 -0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.961 4.481 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.323 6.662 -0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.143 6.654 -2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.733 7.651 -0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.259 5.979 -0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.273 6.435 1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.667 5.898 1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.005 7.561 1.182 1.00 0.00 H new ATOM 1045 N VAL A 68 -5.738 1.850 -3.733 1.00 0.00 N ATOM 1046 CA VAL A 68 -6.747 1.662 -4.747 1.00 0.00 C ATOM 1047 C VAL A 68 -8.042 2.192 -4.195 1.00 0.00 C ATOM 1048 O VAL A 68 -8.373 1.983 -3.018 1.00 0.00 O ATOM 1049 CB VAL A 68 -6.924 0.173 -5.211 1.00 0.00 C ATOM 1050 CG1 VAL A 68 -7.324 -0.687 -4.050 1.00 0.00 C ATOM 1051 CG2 VAL A 68 -7.992 0.064 -6.304 1.00 0.00 C ATOM 0 H VAL A 68 -6.012 1.531 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.430 2.200 -5.641 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.969 -0.168 -5.611 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.444 -1.717 -4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.552 -0.642 -3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.267 -0.327 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.096 -0.977 -6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.945 0.426 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.696 0.666 -7.163 1.00 0.00 H new ATOM 1061 N ASP A 69 -8.734 2.915 -4.987 1.00 0.00 N ATOM 1062 CA ASP A 69 -9.978 3.463 -4.555 1.00 0.00 C ATOM 1063 C ASP A 69 -11.035 2.390 -4.724 1.00 0.00 C ATOM 1064 O ASP A 69 -11.431 2.081 -5.848 1.00 0.00 O ATOM 1065 CB ASP A 69 -10.318 4.690 -5.367 1.00 0.00 C ATOM 1066 CG ASP A 69 -11.422 5.479 -4.770 1.00 0.00 C ATOM 1067 OD1 ASP A 69 -12.474 4.911 -4.539 1.00 0.00 O ATOM 1068 OD2 ASP A 69 -11.241 6.713 -4.573 1.00 0.00 O1- ATOM 0 H ASP A 69 -8.467 3.148 -5.944 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.923 3.770 -3.511 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.433 5.320 -5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.597 4.388 -6.377 1.00 0.00 H new ATOM 1073 N ALA A 70 -11.468 1.834 -3.617 1.00 0.00 N ATOM 1074 CA ALA A 70 -12.389 0.699 -3.582 1.00 0.00 C ATOM 1075 C ALA A 70 -13.821 1.120 -3.852 1.00 0.00 C ATOM 1076 O ALA A 70 -14.711 0.281 -4.074 1.00 0.00 O ATOM 1077 CB ALA A 70 -12.313 0.055 -2.218 1.00 0.00 C ATOM 0 H ALA A 70 -11.190 2.158 -2.691 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.095 -0.001 -4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.996 -0.794 -2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.295 -0.289 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.593 0.782 -1.456 1.00 0.00 H new ATOM 1083 N THR A 71 -14.052 2.394 -3.828 1.00 0.00 N ATOM 1084 CA THR A 71 -15.391 2.901 -3.998 1.00 0.00 C ATOM 1085 C THR A 71 -15.575 3.513 -5.395 1.00 0.00 C ATOM 1086 O THR A 71 -16.704 3.727 -5.866 1.00 0.00 O ATOM 1087 CB THR A 71 -15.765 3.894 -2.848 1.00 0.00 C ATOM 1088 OG1 THR A 71 -17.127 4.337 -2.930 1.00 0.00 O ATOM 1089 CG2 THR A 71 -14.835 5.085 -2.805 1.00 0.00 C ATOM 0 H THR A 71 -13.336 3.108 -3.693 1.00 0.00 H new ATOM 0 HA THR A 71 -16.089 2.067 -3.929 1.00 0.00 H new ATOM 0 HB THR A 71 -15.649 3.333 -1.921 1.00 0.00 H new ATOM 0 HG1 THR A 71 -17.315 4.953 -2.192 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.131 5.748 -1.992 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.813 4.743 -2.641 1.00 0.00 H new ATOM 0 HG23 THR A 71 -14.890 5.624 -3.751 1.00 0.00 H new ATOM 1097 N ALA A 72 -14.480 3.759 -6.063 1.00 0.00 N ATOM 1098 CA ALA A 72 -14.515 4.275 -7.393 1.00 0.00 C ATOM 1099 C ALA A 72 -14.195 3.165 -8.344 1.00 0.00 C ATOM 1100 O ALA A 72 -14.638 3.149 -9.502 1.00 0.00 O ATOM 1101 CB ALA A 72 -13.518 5.398 -7.547 1.00 0.00 C ATOM 0 H ALA A 72 -13.541 3.605 -5.695 1.00 0.00 H new ATOM 0 HA ALA A 72 -15.507 4.672 -7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.556 5.781 -8.567 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.761 6.199 -6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.515 5.026 -7.337 1.00 0.00 H new ATOM 1107 N ASN A 73 -13.422 2.228 -7.865 1.00 0.00 N ATOM 1108 CA ASN A 73 -13.026 1.114 -8.659 1.00 0.00 C ATOM 1109 C ASN A 73 -13.368 -0.160 -7.921 1.00 0.00 C ATOM 1110 O ASN A 73 -12.805 -0.431 -6.867 1.00 0.00 O ATOM 1111 CB ASN A 73 -11.514 1.154 -8.943 1.00 0.00 C ATOM 1112 CG ASN A 73 -11.006 2.485 -9.434 1.00 0.00 C ATOM 1113 OD1 ASN A 73 -10.598 3.323 -8.517 1.00 0.00 O flip ATOM 1114 ND2 ASN A 73 -10.967 2.752 -10.626 1.00 0.00 N flip ATOM 0 H ASN A 73 -13.053 2.222 -6.914 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.555 1.152 -9.611 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.979 0.889 -8.031 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.276 0.392 -9.685 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.295 2.072 -11.312 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.607 3.655 -10.935 1.00 0.00 H new ATOM 1121 N ASP A 74 -14.320 -0.904 -8.441 1.00 0.00 N ATOM 1122 CA ASP A 74 -14.709 -2.190 -7.851 1.00 0.00 C ATOM 1123 C ASP A 74 -13.569 -3.179 -7.969 1.00 0.00 C ATOM 1124 O ASP A 74 -13.014 -3.369 -9.059 1.00 0.00 O ATOM 1125 CB ASP A 74 -15.971 -2.754 -8.517 1.00 0.00 C ATOM 1126 CG ASP A 74 -16.306 -4.162 -8.053 1.00 0.00 C ATOM 1127 OD1 ASP A 74 -16.846 -4.337 -6.931 1.00 0.00 O1- ATOM 1128 OD2 ASP A 74 -16.035 -5.121 -8.795 1.00 0.00 O ATOM 0 H ASP A 74 -14.848 -0.649 -9.275 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.934 -2.023 -6.798 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -16.813 -2.096 -8.303 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -15.835 -2.756 -9.598 1.00 0.00 H new ATOM 1133 N VAL A 75 -13.207 -3.776 -6.865 1.00 0.00 N ATOM 1134 CA VAL A 75 -12.094 -4.687 -6.825 1.00 0.00 C ATOM 1135 C VAL A 75 -12.563 -6.131 -6.649 1.00 0.00 C ATOM 1136 O VAL A 75 -13.591 -6.388 -6.028 1.00 0.00 O ATOM 1137 CB VAL A 75 -11.086 -4.323 -5.693 1.00 0.00 C ATOM 1138 CG1 VAL A 75 -10.477 -2.949 -5.928 1.00 0.00 C ATOM 1139 CG2 VAL A 75 -11.746 -4.385 -4.316 1.00 0.00 C ATOM 0 H VAL A 75 -13.675 -3.645 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.583 -4.595 -7.783 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.287 -5.064 -5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.777 -2.719 -5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.949 -2.943 -6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.268 -2.199 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.015 -4.126 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.577 -3.680 -4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.118 -5.394 -4.136 1.00 0.00 H new ATOM 1149 N PRO A 76 -11.818 -7.091 -7.210 1.00 0.00 N ATOM 1150 CA PRO A 76 -12.122 -8.526 -7.066 1.00 0.00 C ATOM 1151 C PRO A 76 -11.527 -9.092 -5.768 1.00 0.00 C ATOM 1152 O PRO A 76 -11.746 -10.246 -5.402 1.00 0.00 O ATOM 1153 CB PRO A 76 -11.402 -9.125 -8.269 1.00 0.00 C ATOM 1154 CG PRO A 76 -10.195 -8.262 -8.431 1.00 0.00 C ATOM 1155 CD PRO A 76 -10.638 -6.866 -8.089 1.00 0.00 C ATOM 0 HA PRO A 76 -13.190 -8.739 -7.024 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.129 -10.165 -8.094 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.029 -9.106 -9.160 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -9.390 -8.589 -7.773 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -9.813 -8.312 -9.451 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.854 -6.309 -7.576 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.902 -6.297 -8.981 1.00 0.00 H new ATOM 1163 N ASP A 77 -10.759 -8.266 -5.109 1.00 0.00 N ATOM 1164 CA ASP A 77 -10.073 -8.623 -3.883 1.00 0.00 C ATOM 1165 C ASP A 77 -11.076 -8.567 -2.741 1.00 0.00 C ATOM 1166 O ASP A 77 -11.890 -7.640 -2.692 1.00 0.00 O ATOM 1167 CB ASP A 77 -8.975 -7.601 -3.624 1.00 0.00 C ATOM 1168 CG ASP A 77 -7.835 -8.134 -2.801 1.00 0.00 C ATOM 1169 OD1 ASP A 77 -7.998 -9.142 -2.098 1.00 0.00 O ATOM 1170 OD2 ASP A 77 -6.743 -7.559 -2.859 1.00 0.00 O1- ATOM 0 H ASP A 77 -10.585 -7.307 -5.410 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.643 -9.621 -3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.587 -7.247 -4.579 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.406 -6.738 -3.116 1.00 0.00 H new ATOM 1175 N GLU A 78 -11.046 -9.529 -1.845 1.00 0.00 N ATOM 1176 CA GLU A 78 -11.981 -9.539 -0.752 1.00 0.00 C ATOM 1177 C GLU A 78 -11.491 -8.632 0.372 1.00 0.00 C ATOM 1178 O GLU A 78 -10.288 -8.588 0.690 1.00 0.00 O ATOM 1179 CB GLU A 78 -12.242 -10.962 -0.256 1.00 0.00 C ATOM 1180 CG GLU A 78 -13.340 -11.053 0.794 1.00 0.00 C ATOM 1181 CD GLU A 78 -14.653 -10.454 0.315 1.00 0.00 C ATOM 1182 OE1 GLU A 78 -15.446 -11.163 -0.360 1.00 0.00 O1- ATOM 1183 OE2 GLU A 78 -14.912 -9.264 0.575 1.00 0.00 O ATOM 0 H GLU A 78 -10.387 -10.308 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.933 -9.148 -1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.511 -11.590 -1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.319 -11.367 0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.497 -12.098 1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.017 -10.537 1.698 1.00 0.00 H new ATOM 1190 N ILE A 79 -12.419 -7.929 0.960 1.00 0.00 N ATOM 1191 CA ILE A 79 -12.166 -6.942 1.963 1.00 0.00 C ATOM 1192 C ILE A 79 -13.020 -7.252 3.182 1.00 0.00 C ATOM 1193 O ILE A 79 -14.210 -7.518 3.048 1.00 0.00 O ATOM 1194 CB ILE A 79 -12.512 -5.540 1.395 1.00 0.00 C ATOM 1195 CG1 ILE A 79 -11.576 -5.204 0.231 1.00 0.00 C ATOM 1196 CG2 ILE A 79 -12.464 -4.470 2.460 1.00 0.00 C ATOM 1197 CD1 ILE A 79 -11.797 -3.846 -0.363 1.00 0.00 C ATOM 0 H ILE A 79 -13.410 -8.035 0.742 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.115 -6.952 2.253 1.00 0.00 H new ATOM 0 HB ILE A 79 -13.538 -5.569 1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.545 -5.273 0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -11.701 -5.954 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.713 -3.505 2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -13.183 -4.706 3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.462 -4.426 2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -11.094 -3.688 -1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -12.816 -3.776 -0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -11.642 -3.085 0.402 1.00 0.00 H new ATOM 1209 N GLN A 80 -12.415 -7.220 4.362 1.00 0.00 N ATOM 1210 CA GLN A 80 -13.128 -7.566 5.597 1.00 0.00 C ATOM 1211 C GLN A 80 -14.085 -6.452 5.994 1.00 0.00 C ATOM 1212 O GLN A 80 -15.123 -6.685 6.626 1.00 0.00 O ATOM 1213 CB GLN A 80 -12.165 -7.853 6.767 1.00 0.00 C ATOM 1214 CG GLN A 80 -11.114 -8.936 6.508 1.00 0.00 C ATOM 1215 CD GLN A 80 -9.949 -8.486 5.629 1.00 0.00 C ATOM 1216 OE1 GLN A 80 -9.550 -7.235 5.747 1.00 0.00 O flip ATOM 1217 NE2 GLN A 80 -9.384 -9.268 4.877 1.00 0.00 N flip ATOM 0 H GLN A 80 -11.438 -6.960 4.496 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.689 -8.477 5.390 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.651 -6.928 7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.755 -8.144 7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.720 -9.279 7.465 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.599 -9.791 6.038 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.711 -10.231 4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.585 -8.957 4.324 1.00 0.00 H new ATOM 1226 N GLY A 81 -13.730 -5.257 5.629 1.00 0.00 N ATOM 1227 CA GLY A 81 -14.558 -4.106 5.919 1.00 0.00 C ATOM 1228 C GLY A 81 -14.820 -3.354 4.656 1.00 0.00 C ATOM 1229 O GLY A 81 -15.482 -3.873 3.745 1.00 0.00 O ATOM 0 H GLY A 81 -12.868 -5.044 5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.499 -4.425 6.368 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.062 -3.460 6.644 1.00 0.00 H new ATOM 1233 N PHE A 82 -14.318 -2.157 4.567 1.00 0.00 N ATOM 1234 CA PHE A 82 -14.375 -1.446 3.321 1.00 0.00 C ATOM 1235 C PHE A 82 -12.970 -1.034 2.896 1.00 0.00 C ATOM 1236 O PHE A 82 -12.570 -1.322 1.777 1.00 0.00 O ATOM 1237 CB PHE A 82 -15.373 -0.288 3.292 1.00 0.00 C ATOM 1238 CG PHE A 82 -15.583 0.218 1.903 1.00 0.00 C ATOM 1239 CD1 PHE A 82 -16.470 -0.428 1.078 1.00 0.00 C ATOM 1240 CD2 PHE A 82 -14.885 1.314 1.413 1.00 0.00 C ATOM 1241 CE1 PHE A 82 -16.676 0.000 -0.206 1.00 0.00 C ATOM 1242 CE2 PHE A 82 -15.086 1.747 0.121 1.00 0.00 C ATOM 1243 CZ PHE A 82 -15.988 1.087 -0.690 1.00 0.00 C ATOM 0 H PHE A 82 -13.869 -1.656 5.333 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.776 -2.138 2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.325 -0.616 3.709 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -15.011 0.522 3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -17.013 -1.286 1.447 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -14.181 1.830 2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -17.381 -0.518 -0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.540 2.599 -0.256 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.153 1.424 -1.703 1.00 0.00 H new ATOM 1253 N PRO A 83 -12.180 -0.341 3.745 1.00 0.00 N ATOM 1254 CA PRO A 83 -10.805 -0.148 3.450 1.00 0.00 C ATOM 1255 C PRO A 83 -9.998 -1.269 4.024 1.00 0.00 C ATOM 1256 O PRO A 83 -10.408 -1.921 5.001 1.00 0.00 O ATOM 1257 CB PRO A 83 -10.445 1.162 4.110 1.00 0.00 C ATOM 1258 CG PRO A 83 -11.685 1.612 4.817 1.00 0.00 C ATOM 1259 CD PRO A 83 -12.528 0.383 4.966 1.00 0.00 C ATOM 0 HA PRO A 83 -10.606 -0.129 2.378 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.619 1.034 4.810 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -10.126 1.898 3.372 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -11.448 2.045 5.789 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.207 2.379 4.245 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.280 -0.181 5.865 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.592 0.616 5.019 1.00 0.00 H new ATOM 1267 N THR A 84 -8.879 -1.495 3.455 1.00 0.00 N ATOM 1268 CA THR A 84 -8.054 -2.613 3.826 1.00 0.00 C ATOM 1269 C THR A 84 -6.658 -2.409 3.292 1.00 0.00 C ATOM 1270 O THR A 84 -6.483 -1.887 2.219 1.00 0.00 O ATOM 1271 CB THR A 84 -8.697 -3.968 3.309 1.00 0.00 C ATOM 1272 OG1 THR A 84 -9.835 -4.324 4.116 1.00 0.00 O ATOM 1273 CG2 THR A 84 -7.726 -5.131 3.277 1.00 0.00 C ATOM 0 H THR A 84 -8.492 -0.915 2.711 1.00 0.00 H new ATOM 0 HA THR A 84 -7.992 -2.681 4.912 1.00 0.00 H new ATOM 0 HB THR A 84 -9.001 -3.777 2.280 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.961 -3.652 4.818 1.00 0.00 H new ATOM 0 HG21 THR A 84 -8.237 -6.022 2.913 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.895 -4.893 2.613 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.346 -5.316 4.282 1.00 0.00 H new ATOM 1281 N ILE A 85 -5.691 -2.761 4.060 1.00 0.00 N ATOM 1282 CA ILE A 85 -4.340 -2.685 3.632 1.00 0.00 C ATOM 1283 C ILE A 85 -3.854 -4.081 3.403 1.00 0.00 C ATOM 1284 O ILE A 85 -4.144 -4.953 4.168 1.00 0.00 O ATOM 1285 CB ILE A 85 -3.435 -1.938 4.650 1.00 0.00 C ATOM 1286 CG1 ILE A 85 -3.860 -0.467 4.743 1.00 0.00 C ATOM 1287 CG2 ILE A 85 -1.948 -2.060 4.289 1.00 0.00 C ATOM 1288 CD1 ILE A 85 -2.950 0.375 5.593 1.00 0.00 C ATOM 0 H ILE A 85 -5.815 -3.112 5.010 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.289 -2.105 2.711 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.563 -2.407 5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.897 -0.045 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.871 -0.415 5.148 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.350 -1.524 5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.660 -3.111 4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.777 -1.632 3.301 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.315 1.402 5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.931 -0.021 6.608 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.943 0.355 5.177 1.00 0.00 H new ATOM 1300 N LYS A 86 -3.199 -4.297 2.336 1.00 0.00 N ATOM 1301 CA LYS A 86 -2.672 -5.583 2.019 1.00 0.00 C ATOM 1302 C LYS A 86 -1.279 -5.436 1.515 1.00 0.00 C ATOM 1303 O LYS A 86 -1.011 -4.638 0.642 1.00 0.00 O ATOM 1304 CB LYS A 86 -3.529 -6.338 0.997 1.00 0.00 C ATOM 1305 CG LYS A 86 -4.914 -6.705 1.487 1.00 0.00 C ATOM 1306 CD LYS A 86 -5.596 -7.726 0.599 1.00 0.00 C ATOM 1307 CE LYS A 86 -6.977 -8.049 1.142 1.00 0.00 C ATOM 1308 NZ LYS A 86 -7.599 -9.192 0.466 1.00 0.00 N1+ ATOM 0 H LYS A 86 -3.003 -3.581 1.637 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.680 -6.176 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.625 -5.726 0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.007 -7.250 0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.844 -7.100 2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.528 -5.805 1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.677 -7.340 -0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.995 -8.634 0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.903 -8.260 2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.619 -7.175 1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.626 -9.176 0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.411 -9.136 -0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.202 -10.076 0.843 1.00 0.00 H new ATOM 1322 N LEU A 87 -0.398 -6.179 2.064 1.00 0.00 N ATOM 1323 CA LEU A 87 0.965 -6.115 1.675 1.00 0.00 C ATOM 1324 C LEU A 87 1.211 -7.261 0.765 1.00 0.00 C ATOM 1325 O LEU A 87 1.036 -8.408 1.170 1.00 0.00 O ATOM 1326 CB LEU A 87 1.832 -6.198 2.942 1.00 0.00 C ATOM 1327 CG LEU A 87 3.423 -6.105 2.857 1.00 0.00 C ATOM 1328 CD1 LEU A 87 4.029 -7.377 2.366 1.00 0.00 C ATOM 1329 CD2 LEU A 87 3.841 -4.988 1.928 1.00 0.00 C ATOM 0 H LEU A 87 -0.598 -6.855 2.801 1.00 0.00 H new ATOM 0 HA LEU A 87 1.211 -5.187 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.501 -5.401 3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.593 -7.142 3.431 1.00 0.00 H new ATOM 0 HG LEU A 87 3.780 -5.910 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.113 -7.271 2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.771 -8.189 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.647 -7.602 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.929 -4.940 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.444 -5.177 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.451 -4.040 2.300 1.00 0.00 H new ATOM 1341 N TYR A 88 1.529 -6.964 -0.452 1.00 0.00 N ATOM 1342 CA TYR A 88 1.894 -7.958 -1.415 1.00 0.00 C ATOM 1343 C TYR A 88 3.395 -7.986 -1.497 1.00 0.00 C ATOM 1344 O TYR A 88 3.995 -7.107 -2.099 1.00 0.00 O ATOM 1345 CB TYR A 88 1.313 -7.670 -2.802 1.00 0.00 C ATOM 1346 CG TYR A 88 -0.183 -7.810 -2.921 1.00 0.00 C ATOM 1347 CD1 TYR A 88 -1.059 -7.039 -2.164 1.00 0.00 C ATOM 1348 CD2 TYR A 88 -0.718 -8.742 -3.782 1.00 0.00 C ATOM 1349 CE1 TYR A 88 -2.421 -7.206 -2.279 1.00 0.00 C ATOM 1350 CE2 TYR A 88 -2.068 -8.917 -3.893 1.00 0.00 C ATOM 1351 CZ TYR A 88 -2.913 -8.150 -3.146 1.00 0.00 C ATOM 1352 OH TYR A 88 -4.248 -8.374 -3.226 1.00 0.00 O ATOM 0 H TYR A 88 1.544 -6.010 -0.814 1.00 0.00 H new ATOM 0 HA TYR A 88 1.490 -8.918 -1.095 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.589 -6.655 -3.089 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.782 -8.343 -3.520 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.667 -6.302 -1.479 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.056 -9.348 -4.383 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.096 -6.600 -1.693 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.465 -9.660 -4.569 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.732 -7.596 -2.877 1.00 0.00 H new ATOM 1362 N PRO A 89 4.029 -8.920 -0.797 1.00 0.00 N ATOM 1363 CA PRO A 89 5.455 -9.057 -0.831 1.00 0.00 C ATOM 1364 C PRO A 89 5.905 -9.560 -2.131 1.00 0.00 C ATOM 1365 O PRO A 89 5.126 -10.212 -2.871 1.00 0.00 O ATOM 1366 CB PRO A 89 5.756 -10.162 0.147 1.00 0.00 C ATOM 1367 CG PRO A 89 4.480 -10.829 0.423 1.00 0.00 C ATOM 1368 CD PRO A 89 3.409 -9.876 0.107 1.00 0.00 C ATOM 0 HA PRO A 89 5.931 -8.099 -0.622 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.479 -10.863 -0.270 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.191 -9.762 1.063 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.381 -11.732 -0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.425 -11.135 1.468 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.560 -10.374 -0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.034 -9.387 1.006 1.00 0.00 H new ATOM 1376 N ALA A 90 7.149 -9.380 -2.399 1.00 0.00 N ATOM 1377 CA ALA A 90 7.684 -9.961 -3.565 1.00 0.00 C ATOM 1378 C ALA A 90 7.976 -11.424 -3.301 1.00 0.00 C ATOM 1379 O ALA A 90 9.100 -11.843 -3.001 1.00 0.00 O ATOM 1380 CB ALA A 90 8.913 -9.226 -4.034 1.00 0.00 C ATOM 0 H ALA A 90 7.804 -8.841 -1.832 1.00 0.00 H new ATOM 0 HA ALA A 90 6.952 -9.885 -4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.299 -9.701 -4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.656 -8.189 -4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.674 -9.255 -3.254 1.00 0.00 H new ATOM 1386 N GLY A 91 6.922 -12.172 -3.317 1.00 0.00 N ATOM 1387 CA GLY A 91 7.013 -13.596 -3.261 1.00 0.00 C ATOM 1388 C GLY A 91 5.773 -14.182 -2.683 1.00 0.00 C ATOM 1389 O GLY A 91 5.307 -15.221 -3.118 1.00 0.00 O ATOM 0 H GLY A 91 5.969 -11.812 -3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.176 -13.994 -4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.873 -13.887 -2.658 1.00 0.00 H new ATOM 1393 N ALA A 92 5.187 -13.480 -1.739 1.00 0.00 N ATOM 1394 CA ALA A 92 3.989 -14.001 -1.094 1.00 0.00 C ATOM 1395 C ALA A 92 2.767 -13.148 -1.441 1.00 0.00 C ATOM 1396 O ALA A 92 1.820 -13.039 -0.675 1.00 0.00 O ATOM 1397 CB ALA A 92 4.189 -14.175 0.419 1.00 0.00 C ATOM 0 H ALA A 92 5.504 -12.571 -1.403 1.00 0.00 H new ATOM 0 HA ALA A 92 3.797 -15.000 -1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.274 -14.565 0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.007 -14.872 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.428 -13.211 0.868 1.00 0.00 H new ATOM 1403 N LYS A 93 2.786 -12.618 -2.659 1.00 0.00 N ATOM 1404 CA LYS A 93 1.717 -11.776 -3.242 1.00 0.00 C ATOM 1405 C LYS A 93 0.382 -12.557 -3.458 1.00 0.00 C ATOM 1406 O LYS A 93 -0.609 -12.005 -3.930 1.00 0.00 O ATOM 1407 CB LYS A 93 2.201 -11.129 -4.586 1.00 0.00 C ATOM 1408 CG LYS A 93 2.557 -12.073 -5.766 1.00 0.00 C ATOM 1409 CD LYS A 93 3.785 -12.947 -5.506 1.00 0.00 C ATOM 1410 CE LYS A 93 4.264 -13.667 -6.766 1.00 0.00 C ATOM 1411 NZ LYS A 93 3.236 -14.529 -7.374 1.00 0.00 N1+ ATOM 0 H LYS A 93 3.567 -12.760 -3.299 1.00 0.00 H new ATOM 0 HA LYS A 93 1.506 -10.988 -2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.422 -10.448 -4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.080 -10.523 -4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.702 -12.716 -5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.731 -11.473 -6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.592 -12.328 -5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.548 -13.683 -4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.586 -12.927 -7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.136 -14.273 -6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.630 -15.000 -8.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.932 -15.246 -6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.419 -13.950 -7.654 1.00 0.00 H new ATOM 1425 N GLY A 94 0.375 -13.826 -3.085 1.00 0.00 N ATOM 1426 CA GLY A 94 -0.805 -14.664 -3.202 1.00 0.00 C ATOM 1427 C GLY A 94 -1.439 -14.873 -1.841 1.00 0.00 C ATOM 1428 O GLY A 94 -2.573 -15.358 -1.719 1.00 0.00 O ATOM 0 H GLY A 94 1.187 -14.303 -2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.523 -14.200 -3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.534 -15.626 -3.636 1.00 0.00 H new ATOM 1432 N GLN A 95 -0.706 -14.498 -0.810 1.00 0.00 N ATOM 1433 CA GLN A 95 -1.185 -14.536 0.539 1.00 0.00 C ATOM 1434 C GLN A 95 -0.828 -13.212 1.299 1.00 0.00 C ATOM 1435 O GLN A 95 -0.275 -13.252 2.404 1.00 0.00 O ATOM 1436 CB GLN A 95 -0.611 -15.756 1.237 1.00 0.00 C ATOM 1437 CG GLN A 95 0.909 -15.775 1.404 1.00 0.00 C ATOM 1438 CD GLN A 95 1.382 -16.953 2.231 1.00 0.00 C ATOM 1439 OE1 GLN A 95 0.687 -18.052 2.147 1.00 0.00 O flip ATOM 1440 NE2 GLN A 95 2.386 -16.871 2.939 1.00 0.00 N flip ATOM 0 H GLN A 95 0.251 -14.155 -0.898 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.272 -14.614 0.536 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.067 -15.834 2.224 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.907 -16.644 0.678 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.380 -15.811 0.422 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.232 -14.848 1.878 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.909 -15.996 2.983 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.695 -17.678 3.481 1.00 0.00 H new ATOM 1449 N PRO A 96 -1.160 -12.016 0.702 1.00 0.00 N ATOM 1450 CA PRO A 96 -0.894 -10.685 1.288 1.00 0.00 C ATOM 1451 C PRO A 96 -1.245 -10.555 2.744 1.00 0.00 C ATOM 1452 O PRO A 96 -2.126 -11.262 3.254 1.00 0.00 O ATOM 1453 CB PRO A 96 -1.857 -9.817 0.530 1.00 0.00 C ATOM 1454 CG PRO A 96 -1.858 -10.391 -0.809 1.00 0.00 C ATOM 1455 CD PRO A 96 -1.808 -11.859 -0.612 1.00 0.00 C ATOM 0 HA PRO A 96 0.168 -10.448 1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.852 -9.838 0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.535 -8.776 0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.752 -10.099 -1.360 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.001 -10.043 -1.385 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.806 -12.298 -0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.237 -12.349 -1.401 1.00 0.00 H new ATOM 1463 N VAL A 97 -0.627 -9.607 3.414 1.00 0.00 N ATOM 1464 CA VAL A 97 -0.931 -9.430 4.770 1.00 0.00 C ATOM 1465 C VAL A 97 -2.056 -8.445 4.824 1.00 0.00 C ATOM 1466 O VAL A 97 -1.853 -7.246 4.609 1.00 0.00 O ATOM 1467 CB VAL A 97 0.276 -8.950 5.582 1.00 0.00 C ATOM 1468 CG1 VAL A 97 -0.051 -8.951 7.070 1.00 0.00 C ATOM 1469 CG2 VAL A 97 1.483 -9.833 5.292 1.00 0.00 C ATOM 0 H VAL A 97 0.072 -8.971 3.030 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.215 -10.380 5.222 1.00 0.00 H new ATOM 0 HB VAL A 97 0.516 -7.928 5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.817 -8.608 7.633 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.893 -8.285 7.258 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.311 -9.962 7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.337 -9.485 5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.254 -10.863 5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.723 -9.784 4.230 1.00 0.00 H new ATOM 1479 N THR A 98 -3.241 -8.985 4.931 1.00 0.00 N ATOM 1480 CA THR A 98 -4.444 -8.213 4.992 1.00 0.00 C ATOM 1481 C THR A 98 -4.618 -7.575 6.368 1.00 0.00 C ATOM 1482 O THR A 98 -4.498 -8.226 7.421 1.00 0.00 O ATOM 1483 CB THR A 98 -5.697 -9.022 4.517 1.00 0.00 C ATOM 1484 OG1 THR A 98 -6.879 -8.208 4.526 1.00 0.00 O ATOM 1485 CG2 THR A 98 -5.928 -10.285 5.340 1.00 0.00 C ATOM 0 H THR A 98 -3.395 -9.992 4.979 1.00 0.00 H new ATOM 0 HA THR A 98 -4.350 -7.394 4.279 1.00 0.00 H new ATOM 0 HB THR A 98 -5.487 -9.330 3.493 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.137 -8.016 5.452 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.809 -10.806 4.967 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.059 -10.937 5.257 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.081 -10.015 6.385 1.00 0.00 H new ATOM 1493 N TYR A 99 -4.844 -6.308 6.329 1.00 0.00 N ATOM 1494 CA TYR A 99 -4.895 -5.448 7.450 1.00 0.00 C ATOM 1495 C TYR A 99 -5.994 -4.435 7.263 1.00 0.00 C ATOM 1496 O TYR A 99 -6.520 -4.285 6.173 1.00 0.00 O ATOM 1497 CB TYR A 99 -3.573 -4.691 7.460 1.00 0.00 C ATOM 1498 CG TYR A 99 -2.713 -4.984 8.635 1.00 0.00 C ATOM 1499 CD1 TYR A 99 -1.899 -6.096 8.640 1.00 0.00 C ATOM 1500 CD2 TYR A 99 -2.715 -4.161 9.745 1.00 0.00 C ATOM 1501 CE1 TYR A 99 -1.107 -6.384 9.719 1.00 0.00 C ATOM 1502 CE2 TYR A 99 -1.922 -4.440 10.831 1.00 0.00 C ATOM 1503 CZ TYR A 99 -1.120 -5.553 10.817 1.00 0.00 C ATOM 1504 OH TYR A 99 -0.324 -5.842 11.907 1.00 0.00 O ATOM 0 H TYR A 99 -5.009 -5.816 5.451 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.070 -6.012 8.366 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -3.022 -4.933 6.551 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.780 -3.621 7.433 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.886 -6.750 7.780 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -3.349 -3.287 9.759 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.475 -7.259 9.709 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.930 -3.787 11.691 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.450 -5.156 12.595 1.00 0.00 H new ATOM 1514 N SER A 100 -6.349 -3.759 8.309 1.00 0.00 N ATOM 1515 CA SER A 100 -7.211 -2.627 8.194 1.00 0.00 C ATOM 1516 C SER A 100 -6.315 -1.395 8.217 1.00 0.00 C ATOM 1517 O SER A 100 -6.595 -0.395 7.564 1.00 0.00 O ATOM 1518 CB SER A 100 -8.259 -2.587 9.323 1.00 0.00 C ATOM 1519 OG SER A 100 -9.160 -1.489 9.157 1.00 0.00 O ATOM 0 H SER A 100 -6.052 -3.974 9.261 1.00 0.00 H new ATOM 0 HA SER A 100 -7.783 -2.674 7.268 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.820 -3.522 9.335 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.756 -2.505 10.286 1.00 0.00 H new ATOM 0 HG SER A 100 -9.814 -1.490 9.886 1.00 0.00 H new ATOM 1525 N GLY A 101 -5.229 -1.484 8.979 1.00 0.00 N ATOM 1526 CA GLY A 101 -4.254 -0.430 9.005 1.00 0.00 C ATOM 1527 C GLY A 101 -3.667 -0.223 10.372 1.00 0.00 C ATOM 1528 O GLY A 101 -4.119 -0.833 11.342 1.00 0.00 O ATOM 0 H GLY A 101 -5.014 -2.279 9.581 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.455 -0.662 8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.717 0.497 8.668 1.00 0.00 H new ATOM 1532 N SER A 102 -2.667 0.613 10.443 1.00 0.00 N ATOM 1533 CA SER A 102 -2.025 0.965 11.669 1.00 0.00 C ATOM 1534 C SER A 102 -2.006 2.474 11.707 1.00 0.00 C ATOM 1535 O SER A 102 -1.954 3.110 10.650 1.00 0.00 O ATOM 1536 CB SER A 102 -0.589 0.413 11.688 1.00 0.00 C ATOM 1537 OG SER A 102 -0.583 -0.997 11.453 1.00 0.00 O ATOM 0 H SER A 102 -2.270 1.077 9.626 1.00 0.00 H new ATOM 0 HA SER A 102 -2.547 0.551 12.532 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.008 0.915 10.927 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.125 0.628 12.651 1.00 0.00 H new ATOM 0 HG SER A 102 0.321 -1.349 11.595 1.00 0.00 H new ATOM 1543 N ARG A 103 -2.042 3.056 12.866 1.00 0.00 N ATOM 1544 CA ARG A 103 -2.066 4.503 12.976 1.00 0.00 C ATOM 1545 C ARG A 103 -0.668 5.017 13.268 1.00 0.00 C ATOM 1546 O ARG A 103 -0.478 6.042 13.909 1.00 0.00 O ATOM 1547 CB ARG A 103 -3.082 4.959 14.040 1.00 0.00 C ATOM 1548 CG ARG A 103 -2.762 4.515 15.466 1.00 0.00 C ATOM 1549 CD ARG A 103 -3.908 4.805 16.409 1.00 0.00 C ATOM 1550 NE ARG A 103 -5.092 4.016 16.057 1.00 0.00 N ATOM 1551 CZ ARG A 103 -6.186 3.874 16.805 1.00 0.00 C ATOM 1552 NH1 ARG A 103 -6.314 4.533 17.957 1.00 0.00 N1+ ATOM 1553 NH2 ARG A 103 -7.154 3.078 16.395 1.00 0.00 N ATOM 0 H ARG A 103 -2.056 2.560 13.757 1.00 0.00 H new ATOM 0 HA ARG A 103 -2.393 4.929 12.027 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.145 6.047 14.019 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.066 4.578 13.768 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -2.544 3.447 15.475 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.865 5.027 15.814 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.607 4.579 17.432 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.151 5.867 16.375 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.077 3.532 15.159 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -5.570 5.154 18.275 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.156 4.416 18.521 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -7.062 2.577 15.512 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -7.995 2.964 16.961 1.00 0.00 H new ATOM 1567 N THR A 104 0.295 4.340 12.710 1.00 0.00 N ATOM 1568 CA THR A 104 1.663 4.694 12.891 1.00 0.00 C ATOM 1569 C THR A 104 2.461 4.389 11.620 1.00 0.00 C ATOM 1570 O THR A 104 2.109 3.478 10.856 1.00 0.00 O ATOM 1571 CB THR A 104 2.253 3.937 14.095 1.00 0.00 C ATOM 1572 OG1 THR A 104 3.612 4.288 14.287 1.00 0.00 O ATOM 1573 CG2 THR A 104 2.170 2.460 13.893 1.00 0.00 C ATOM 0 H THR A 104 0.147 3.525 12.115 1.00 0.00 H new ATOM 0 HA THR A 104 1.727 5.764 13.090 1.00 0.00 H new ATOM 0 HB THR A 104 1.669 4.217 14.972 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.759 5.208 13.982 1.00 0.00 H new ATOM 0 HG21 THR A 104 2.594 1.950 14.758 1.00 0.00 H new ATOM 0 HG22 THR A 104 1.127 2.167 13.774 1.00 0.00 H new ATOM 0 HG23 THR A 104 2.729 2.183 12.999 1.00 0.00 H new ATOM 1581 N VAL A 105 3.486 5.170 11.378 1.00 0.00 N ATOM 1582 CA VAL A 105 4.379 4.972 10.255 1.00 0.00 C ATOM 1583 C VAL A 105 5.397 3.870 10.596 1.00 0.00 C ATOM 1584 O VAL A 105 5.832 3.113 9.731 1.00 0.00 O ATOM 1585 CB VAL A 105 5.144 6.283 9.933 1.00 0.00 C ATOM 1586 CG1 VAL A 105 6.079 6.085 8.774 1.00 0.00 C ATOM 1587 CG2 VAL A 105 4.186 7.442 9.667 1.00 0.00 C ATOM 0 H VAL A 105 3.729 5.971 11.961 1.00 0.00 H new ATOM 0 HA VAL A 105 3.787 4.680 9.387 1.00 0.00 H new ATOM 0 HB VAL A 105 5.736 6.542 10.811 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.604 7.017 8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.803 5.308 9.019 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.509 5.786 7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.758 8.343 9.445 1.00 0.00 H new ATOM 0 HG22 VAL A 105 3.548 7.199 8.817 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.568 7.612 10.548 1.00 0.00 H new ATOM 1597 N GLU A 106 5.703 3.758 11.875 1.00 0.00 N ATOM 1598 CA GLU A 106 6.724 2.826 12.403 1.00 0.00 C ATOM 1599 C GLU A 106 6.359 1.424 12.068 1.00 0.00 C ATOM 1600 O GLU A 106 7.178 0.622 11.606 1.00 0.00 O ATOM 1601 CB GLU A 106 6.741 2.892 13.904 1.00 0.00 C ATOM 1602 CG GLU A 106 6.740 4.265 14.457 1.00 0.00 C ATOM 1603 CD GLU A 106 7.902 5.097 14.011 1.00 0.00 C ATOM 1604 OE1 GLU A 106 9.060 4.756 14.331 1.00 0.00 O1- ATOM 1605 OE2 GLU A 106 7.676 6.111 13.325 1.00 0.00 O ATOM 0 H GLU A 106 5.251 4.314 12.601 1.00 0.00 H new ATOM 0 HA GLU A 106 7.684 3.106 11.970 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.872 2.358 14.289 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.624 2.368 14.268 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.815 4.763 14.166 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.742 4.208 15.546 1.00 0.00 H new ATOM 1612 N ASP A 107 5.113 1.145 12.290 1.00 0.00 N ATOM 1613 CA ASP A 107 4.579 -0.199 12.097 1.00 0.00 C ATOM 1614 C ASP A 107 4.496 -0.500 10.641 1.00 0.00 C ATOM 1615 O ASP A 107 4.573 -1.633 10.245 1.00 0.00 O ATOM 1616 CB ASP A 107 3.218 -0.372 12.760 1.00 0.00 C ATOM 1617 CG ASP A 107 2.655 -1.762 12.634 1.00 0.00 C ATOM 1618 OD1 ASP A 107 3.036 -2.648 13.428 1.00 0.00 O1- ATOM 1619 OD2 ASP A 107 1.816 -1.985 11.781 1.00 0.00 O ATOM 0 H ASP A 107 4.426 1.828 12.609 1.00 0.00 H new ATOM 0 HA ASP A 107 5.258 -0.905 12.575 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.304 -0.119 13.817 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.516 0.336 12.319 1.00 0.00 H new ATOM 1624 N LEU A 108 4.410 0.548 9.839 1.00 0.00 N ATOM 1625 CA LEU A 108 4.390 0.396 8.393 1.00 0.00 C ATOM 1626 C LEU A 108 5.729 0.000 7.884 1.00 0.00 C ATOM 1627 O LEU A 108 5.843 -0.891 7.063 1.00 0.00 O ATOM 1628 CB LEU A 108 3.886 1.635 7.682 1.00 0.00 C ATOM 1629 CG LEU A 108 2.374 1.795 7.648 1.00 0.00 C ATOM 1630 CD1 LEU A 108 1.973 3.063 6.898 1.00 0.00 C ATOM 1631 CD2 LEU A 108 1.744 0.568 6.994 1.00 0.00 C ATOM 0 H LEU A 108 4.353 1.513 10.164 1.00 0.00 H new ATOM 0 HA LEU A 108 3.682 -0.402 8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.317 2.512 8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.257 1.622 6.657 1.00 0.00 H new ATOM 0 HG LEU A 108 2.010 1.885 8.672 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.887 3.152 6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.404 3.932 7.395 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.341 3.012 5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.660 0.684 6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.120 0.465 5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.001 -0.322 7.568 1.00 0.00 H new ATOM 1643 N ILE A 109 6.736 0.647 8.381 1.00 0.00 N ATOM 1644 CA ILE A 109 8.101 0.293 8.084 1.00 0.00 C ATOM 1645 C ILE A 109 8.323 -1.190 8.462 1.00 0.00 C ATOM 1646 O ILE A 109 8.671 -2.024 7.616 1.00 0.00 O ATOM 1647 CB ILE A 109 9.015 1.200 8.914 1.00 0.00 C ATOM 1648 CG1 ILE A 109 8.833 2.653 8.473 1.00 0.00 C ATOM 1649 CG2 ILE A 109 10.482 0.772 8.820 1.00 0.00 C ATOM 1650 CD1 ILE A 109 9.341 3.664 9.465 1.00 0.00 C ATOM 0 H ILE A 109 6.640 1.444 9.011 1.00 0.00 H new ATOM 0 HA ILE A 109 8.322 0.422 7.025 1.00 0.00 H new ATOM 0 HB ILE A 109 8.730 1.108 9.962 1.00 0.00 H new ATOM 0 HG12 ILE A 109 9.348 2.801 7.524 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.774 2.837 8.293 1.00 0.00 H new ATOM 0 HG21 ILE A 109 11.096 1.441 9.423 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.588 -0.248 9.189 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.809 0.818 7.781 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.175 4.669 9.078 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.809 3.546 10.409 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.408 3.510 9.628 1.00 0.00 H new ATOM 1662 N LYS A 110 7.946 -1.524 9.699 1.00 0.00 N ATOM 1663 CA LYS A 110 8.144 -2.850 10.264 1.00 0.00 C ATOM 1664 C LYS A 110 7.257 -3.853 9.546 1.00 0.00 C ATOM 1665 O LYS A 110 7.541 -5.047 9.510 1.00 0.00 O ATOM 1666 CB LYS A 110 7.809 -2.827 11.766 1.00 0.00 C ATOM 1667 CG LYS A 110 8.172 -4.104 12.534 1.00 0.00 C ATOM 1668 CD LYS A 110 9.684 -4.384 12.532 1.00 0.00 C ATOM 1669 CE LYS A 110 10.473 -3.257 13.190 1.00 0.00 C ATOM 1670 NZ LYS A 110 11.914 -3.554 13.263 1.00 0.00 N1+ ATOM 0 H LYS A 110 7.491 -0.872 10.338 1.00 0.00 H new ATOM 0 HA LYS A 110 9.185 -3.146 10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.328 -1.986 12.225 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.741 -2.644 11.881 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.824 -4.016 13.563 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.648 -4.951 12.091 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.881 -5.319 13.057 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.027 -4.516 11.506 1.00 0.00 H new ATOM 0 HE2 LYS A 110 10.322 -2.335 12.629 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.088 -3.085 14.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 12.409 -2.760 13.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 12.062 -4.419 13.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 12.289 -3.692 12.303 1.00 0.00 H new ATOM 1684 N PHE A 111 6.236 -3.340 8.906 1.00 0.00 N ATOM 1685 CA PHE A 111 5.264 -4.130 8.239 1.00 0.00 C ATOM 1686 C PHE A 111 5.937 -4.729 7.082 1.00 0.00 C ATOM 1687 O PHE A 111 6.223 -5.877 7.078 1.00 0.00 O ATOM 1688 CB PHE A 111 4.180 -3.229 7.763 1.00 0.00 C ATOM 1689 CG PHE A 111 2.858 -3.827 7.407 1.00 0.00 C ATOM 1690 CD1 PHE A 111 2.764 -4.893 6.545 1.00 0.00 C ATOM 1691 CD2 PHE A 111 1.698 -3.273 7.907 1.00 0.00 C ATOM 1692 CE1 PHE A 111 1.547 -5.403 6.191 1.00 0.00 C ATOM 1693 CE2 PHE A 111 0.474 -3.781 7.556 1.00 0.00 C ATOM 1694 CZ PHE A 111 0.400 -4.851 6.692 1.00 0.00 C ATOM 0 H PHE A 111 6.065 -2.337 8.840 1.00 0.00 H new ATOM 0 HA PHE A 111 4.842 -4.897 8.889 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.007 -2.481 8.537 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.551 -2.700 6.885 1.00 0.00 H new ATOM 0 HD1 PHE A 111 3.664 -5.333 6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.755 -2.431 8.581 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.490 -6.243 5.515 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.429 -3.344 7.956 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.562 -5.254 6.411 1.00 0.00 H new ATOM 1704 N ILE A 112 6.347 -3.891 6.186 1.00 0.00 N ATOM 1705 CA ILE A 112 6.980 -4.309 4.953 1.00 0.00 C ATOM 1706 C ILE A 112 8.343 -4.935 5.298 1.00 0.00 C ATOM 1707 O ILE A 112 8.935 -5.677 4.542 1.00 0.00 O ATOM 1708 CB ILE A 112 7.236 -3.082 4.074 1.00 0.00 C ATOM 1709 CG1 ILE A 112 6.033 -2.165 4.059 1.00 0.00 C ATOM 1710 CG2 ILE A 112 7.483 -3.536 2.671 1.00 0.00 C ATOM 1711 CD1 ILE A 112 6.412 -0.712 4.100 1.00 0.00 C ATOM 0 H ILE A 112 6.256 -2.880 6.281 1.00 0.00 H new ATOM 0 HA ILE A 112 6.340 -5.020 4.431 1.00 0.00 H new ATOM 0 HB ILE A 112 8.095 -2.545 4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.445 -2.358 3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.396 -2.394 4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.667 -2.670 2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.352 -4.193 2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.610 -4.076 2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.510 -0.100 4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.976 -0.509 5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.026 -0.471 3.232 1.00 0.00 H new ATOM 1723 N ALA A 113 8.766 -4.687 6.489 1.00 0.00 N ATOM 1724 CA ALA A 113 10.083 -5.136 6.934 1.00 0.00 C ATOM 1725 C ALA A 113 10.050 -6.546 7.435 1.00 0.00 C ATOM 1726 O ALA A 113 11.078 -7.201 7.520 1.00 0.00 O ATOM 1727 CB ALA A 113 10.666 -4.241 7.992 1.00 0.00 C ATOM 0 H ALA A 113 8.232 -4.175 7.191 1.00 0.00 H new ATOM 0 HA ALA A 113 10.725 -5.089 6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.645 -4.618 8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.771 -3.231 7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.006 -4.224 8.859 1.00 0.00 H new ATOM 1733 N GLU A 114 8.897 -7.006 7.807 1.00 0.00 N ATOM 1734 CA GLU A 114 8.784 -8.369 8.274 1.00 0.00 C ATOM 1735 C GLU A 114 7.879 -9.138 7.374 1.00 0.00 C ATOM 1736 O GLU A 114 8.147 -10.280 6.998 1.00 0.00 O ATOM 1737 CB GLU A 114 8.248 -8.408 9.682 1.00 0.00 C ATOM 1738 CG GLU A 114 9.075 -7.647 10.662 1.00 0.00 C ATOM 1739 CD GLU A 114 8.770 -8.060 12.064 1.00 0.00 C ATOM 1740 OE1 GLU A 114 7.814 -7.520 12.671 1.00 0.00 O1- ATOM 1741 OE2 GLU A 114 9.475 -8.967 12.593 1.00 0.00 O ATOM 0 H GLU A 114 8.027 -6.474 7.801 1.00 0.00 H new ATOM 0 HA GLU A 114 9.777 -8.819 8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.235 -8.006 9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.181 -9.446 10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.132 -7.811 10.454 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.889 -6.579 10.546 1.00 0.00 H new ATOM 1748 N ASN A 115 6.851 -8.468 6.989 1.00 0.00 N ATOM 1749 CA ASN A 115 5.814 -8.979 6.168 1.00 0.00 C ATOM 1750 C ASN A 115 6.265 -8.951 4.745 1.00 0.00 C ATOM 1751 O ASN A 115 5.803 -9.735 3.911 1.00 0.00 O ATOM 1752 CB ASN A 115 4.613 -8.072 6.345 1.00 0.00 C ATOM 1753 CG ASN A 115 3.929 -8.169 7.693 1.00 0.00 C ATOM 1754 OD1 ASN A 115 3.068 -8.995 7.912 1.00 0.00 O ATOM 1755 ND2 ASN A 115 4.307 -7.303 8.593 1.00 0.00 N ATOM 0 H ASN A 115 6.704 -7.494 7.254 1.00 0.00 H new ATOM 0 HA ASN A 115 5.561 -10.004 6.438 1.00 0.00 H new ATOM 0 HB2 ASN A 115 4.930 -7.041 6.189 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.885 -8.303 5.568 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.875 -7.306 9.517 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.035 -6.623 8.373 1.00 0.00 H new ATOM 1762 N GLY A 116 7.178 -8.041 4.464 1.00 0.00 N ATOM 1763 CA GLY A 116 7.707 -7.929 3.168 1.00 0.00 C ATOM 1764 C GLY A 116 8.782 -8.937 2.934 1.00 0.00 C ATOM 1765 O GLY A 116 9.310 -9.522 3.891 1.00 0.00 O ATOM 0 H GLY A 116 7.555 -7.376 5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.912 -8.065 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.108 -6.926 3.021 1.00 0.00 H new ATOM 1769 N LYS A 117 9.131 -9.143 1.704 1.00 0.00 N ATOM 1770 CA LYS A 117 10.148 -10.110 1.367 1.00 0.00 C ATOM 1771 C LYS A 117 11.432 -9.426 1.269 1.00 0.00 C ATOM 1772 O LYS A 117 12.493 -10.014 1.472 1.00 0.00 O ATOM 1773 CB LYS A 117 9.858 -10.758 0.053 1.00 0.00 C ATOM 1774 CG LYS A 117 8.774 -11.820 0.098 1.00 0.00 C ATOM 1775 CD LYS A 117 9.247 -13.094 0.792 1.00 0.00 C ATOM 1776 CE LYS A 117 10.498 -13.686 0.120 1.00 0.00 C ATOM 1777 NZ LYS A 117 10.320 -13.904 -1.341 1.00 0.00 N1+ ATOM 0 H LYS A 117 8.728 -8.654 0.905 1.00 0.00 H new ATOM 0 HA LYS A 117 10.168 -10.876 2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 117 9.564 -9.988 -0.660 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.775 -11.209 -0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 117 7.902 -11.426 0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.457 -12.057 -0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.465 -12.877 1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 117 8.445 -13.832 0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.343 -13.017 0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.746 -14.634 0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.193 -14.304 -1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 9.532 -14.564 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 10.110 -12.997 -1.804 1.00 0.00 H new ATOM 1791 N TYR A 118 11.350 -8.177 0.964 1.00 0.00 N ATOM 1792 CA TYR A 118 12.483 -7.400 0.843 1.00 0.00 C ATOM 1793 C TYR A 118 12.940 -6.893 2.171 1.00 0.00 C ATOM 1794 O TYR A 118 14.064 -6.374 2.284 1.00 0.00 O ATOM 1795 CB TYR A 118 12.275 -6.307 -0.148 1.00 0.00 C ATOM 1796 CG TYR A 118 12.637 -6.740 -1.545 1.00 0.00 C ATOM 1797 CD1 TYR A 118 13.965 -6.730 -1.957 1.00 0.00 C ATOM 1798 CD2 TYR A 118 11.683 -7.206 -2.430 1.00 0.00 C ATOM 1799 CE1 TYR A 118 14.330 -7.163 -3.210 1.00 0.00 C ATOM 1800 CE2 TYR A 118 12.043 -7.653 -3.687 1.00 0.00 C ATOM 1801 CZ TYR A 118 13.369 -7.628 -4.072 1.00 0.00 C ATOM 1802 OH TYR A 118 13.734 -8.096 -5.321 1.00 0.00 O ATOM 0 H TYR A 118 10.474 -7.683 0.794 1.00 0.00 H new ATOM 0 HA TYR A 118 13.288 -8.027 0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 118 11.233 -5.989 -0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 118 12.878 -5.443 0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 118 14.726 -6.374 -1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 118 10.644 -7.221 -2.136 1.00 0.00 H new ATOM 0 HE1 TYR A 118 15.366 -7.137 -3.514 1.00 0.00 H new ATOM 0 HE2 TYR A 118 11.289 -8.021 -4.367 1.00 0.00 H new ATOM 0 HH TYR A 118 12.935 -8.389 -5.807 1.00 0.00 H new ATOM 1812 N LYS A 119 12.065 -7.059 3.194 1.00 0.00 N ATOM 1813 CA LYS A 119 12.363 -6.711 4.557 1.00 0.00 C ATOM 1814 C LYS A 119 12.821 -5.263 4.603 1.00 0.00 C ATOM 1815 O LYS A 119 13.969 -4.976 4.942 1.00 0.00 O ATOM 1816 CB LYS A 119 13.439 -7.651 5.131 1.00 0.00 C ATOM 1817 CG LYS A 119 13.157 -9.155 4.967 1.00 0.00 C ATOM 1818 CD LYS A 119 11.938 -9.616 5.756 1.00 0.00 C ATOM 1819 CE LYS A 119 11.671 -11.101 5.535 1.00 0.00 C ATOM 1820 NZ LYS A 119 10.498 -11.589 6.292 1.00 0.00 N1+ ATOM 0 H LYS A 119 11.129 -7.444 3.067 1.00 0.00 H new ATOM 0 HA LYS A 119 11.469 -6.824 5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 119 14.390 -7.423 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 119 13.558 -7.434 6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 119 13.007 -9.379 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 119 14.030 -9.721 5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.095 -9.426 6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.065 -9.037 5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.514 -11.283 4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.552 -11.672 5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 10.073 -12.396 5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 10.798 -11.889 7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 9.797 -10.826 6.376 1.00 0.00 H new ATOM 1834 N ALA A 120 11.913 -4.388 4.164 1.00 0.00 N ATOM 1835 CA ALA A 120 12.061 -2.903 3.990 1.00 0.00 C ATOM 1836 C ALA A 120 12.677 -2.070 5.148 1.00 0.00 C ATOM 1837 O ALA A 120 12.450 -0.846 5.224 1.00 0.00 O ATOM 1838 CB ALA A 120 10.727 -2.335 3.657 1.00 0.00 C ATOM 0 H ALA A 120 10.980 -4.700 3.896 1.00 0.00 H new ATOM 0 HA ALA A 120 12.805 -2.815 3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 120 10.813 -1.256 3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 120 10.360 -2.784 2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.029 -2.548 4.466 1.00 0.00 H new ATOM 1844 N ALA A 121 13.450 -2.669 5.965 1.00 0.00 N ATOM 1845 CA ALA A 121 14.139 -1.987 6.993 1.00 0.00 C ATOM 1846 C ALA A 121 15.611 -2.244 6.772 1.00 0.00 C ATOM 1847 O ALA A 121 16.207 -3.081 7.474 1.00 0.00 O ATOM 1848 CB ALA A 121 13.686 -2.479 8.353 1.00 0.00 C ATOM 1849 OXT ALA A 121 16.167 -1.670 5.822 1.00 0.00 O ATOM 0 H ALA A 121 13.628 -3.673 5.940 1.00 0.00 H new ATOM 0 HA ALA A 121 13.933 -0.917 6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 121 14.227 -1.943 9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.616 -2.302 8.466 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.888 -3.547 8.440 1.00 0.00 H new TER 1855 ALA A 121