USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 945 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 37 TYR OH : rot 165:sc= 0.642 USER MOD Set 1.2: A 39 TYR OH : rot 180:sc= -0.0315 USER MOD Set 1.3: A 102 SER OG : rot -93:sc= 1.92 USER MOD Set 2.1: A 99 TYR OH : rot 0:sc= 0.804 USER MOD Set 2.2: A 114 THR OG1 : rot 155:sc= 1.38 USER MOD Set 3.1: A 85 TYR OH : rot -67:sc= 1.9 USER MOD Set 3.2: A 93 TYR OH : rot 150:sc= 0.769 USER MOD Set 4.1: A 40 GLN : amide:sc= -1.49 K(o=-1.4,f=-3!) USER MOD Set 4.2: A 73 THR OG1 : rot 180:sc= 0.0647 USER MOD Set 4.3: A 75 TYR OH : rot 74:sc= 0.0444 USER MOD Set 5.1: A 46 LYS NZ :NH3+ 171:sc= 0.0615 (180deg=0) USER MOD Set 5.2: A 48 ASN : amide:sc= -2.12 K(o=-2.1,f=-7.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0468 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0869 X(o=-0.087,f=-0.29) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0315 X(o=-0.032,f=0) USER MOD Single : A 36 TYR OH : rot -156:sc= 1.28 USER MOD Single : A 38 MET CE :methyl 133:sc= -5.8! (180deg=-9.73!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.2!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -21:sc= 0.717 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.548 K(o=-0.55,f=-3.9!) USER MOD Single : A 76 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.13) USER MOD Single : A 77 HIS : no HD1:sc= -0.687 K(o=-0.69,f=-0.088) USER MOD Single : A 80 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.024) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.633 K(o=-0.63,f=-2!) USER MOD Single : A 108 CYS SG : rot 39:sc=-0.000927 USER MOD Single : A 109 TYR OH : rot -33:sc= 0.153 USER MOD Single : A 121 ASN : amide:sc= -2.56 K(o=-2.6,f=-0.8!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 124 TYR OH : rot -175:sc= -0.749 USER MOD Single : A 125 HIS : no HD1:sc= -0.955 X(o=-0.95,f=-0.48) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.00622 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.131 4.684 -4.726 1.00 21.33 N ATOM 2 CA MET A 1 -4.587 5.686 -3.770 1.00 54.42 C ATOM 3 C MET A 1 -5.113 5.027 -2.499 1.00 64.31 C ATOM 4 O MET A 1 -5.586 3.891 -2.528 1.00 52.32 O ATOM 5 CB MET A 1 -5.679 6.558 -4.395 1.00 23.31 C ATOM 6 CG MET A 1 -5.160 7.872 -4.955 1.00 54.32 C ATOM 7 SD MET A 1 -6.200 8.522 -6.277 1.00 52.11 S ATOM 8 CE MET A 1 -6.540 10.169 -5.662 1.00 14.44 C ATOM 0 H1 MET A 1 -4.427 4.958 -5.684 1.00 21.33 H new ATOM 0 H2 MET A 1 -3.094 4.617 -4.690 1.00 21.33 H new ATOM 0 H3 MET A 1 -4.546 3.761 -4.486 1.00 21.33 H new ATOM 0 HA MET A 1 -3.736 6.314 -3.507 1.00 54.42 H new ATOM 0 HB2 MET A 1 -6.166 5.999 -5.194 1.00 23.31 H new ATOM 0 HB3 MET A 1 -6.440 6.768 -3.643 1.00 23.31 H new ATOM 0 HG2 MET A 1 -5.099 8.606 -4.152 1.00 54.32 H new ATOM 0 HG3 MET A 1 -4.148 7.727 -5.332 1.00 54.32 H new ATOM 0 HE1 MET A 1 -7.175 10.699 -6.372 1.00 14.44 H new ATOM 0 HE2 MET A 1 -7.049 10.100 -4.701 1.00 14.44 H new ATOM 0 HE3 MET A 1 -5.603 10.712 -5.538 1.00 14.44 H new ATOM 18 N ALA A 2 -5.025 5.746 -1.385 1.00 31.21 N ATOM 19 CA ALA A 2 -5.493 5.230 -0.104 1.00 51.43 C ATOM 20 C ALA A 2 -4.796 3.921 0.248 1.00 21.22 C ATOM 21 O ALA A 2 -5.392 2.846 0.165 1.00 41.04 O ATOM 22 CB ALA A 2 -7.002 5.036 -0.133 1.00 41.21 C ATOM 0 H ALA A 2 -4.634 6.687 -1.343 1.00 31.21 H new ATOM 0 HA ALA A 2 -5.246 5.961 0.666 1.00 51.43 H new ATOM 0 HB1 ALA A 2 -7.338 4.650 0.830 1.00 41.21 H new ATOM 0 HB2 ALA A 2 -7.488 5.991 -0.331 1.00 41.21 H new ATOM 0 HB3 ALA A 2 -7.263 4.327 -0.919 1.00 41.21 H new ATOM 28 N LEU A 3 -3.531 4.017 0.642 1.00 62.11 N ATOM 29 CA LEU A 3 -2.751 2.839 1.007 1.00 74.12 C ATOM 30 C LEU A 3 -1.650 3.200 1.998 1.00 11.43 C ATOM 31 O LEU A 3 -0.719 3.935 1.667 1.00 71.43 O ATOM 32 CB LEU A 3 -2.140 2.201 -0.242 1.00 31.33 C ATOM 33 CG LEU A 3 -1.939 0.686 -0.191 1.00 60.32 C ATOM 34 CD1 LEU A 3 -3.280 -0.031 -0.201 1.00 30.44 C ATOM 35 CD2 LEU A 3 -1.077 0.223 -1.356 1.00 45.14 C ATOM 0 H LEU A 3 -3.023 4.898 0.717 1.00 62.11 H new ATOM 0 HA LEU A 3 -3.421 2.123 1.483 1.00 74.12 H new ATOM 0 HB2 LEU A 3 -2.778 2.434 -1.094 1.00 31.33 H new ATOM 0 HB3 LEU A 3 -1.174 2.670 -0.430 1.00 31.33 H new ATOM 0 HG LEU A 3 -1.424 0.438 0.737 1.00 60.32 H new ATOM 0 HD11 LEU A 3 -3.117 -1.108 -0.164 1.00 30.44 H new ATOM 0 HD12 LEU A 3 -3.864 0.277 0.666 1.00 30.44 H new ATOM 0 HD13 LEU A 3 -3.822 0.223 -1.112 1.00 30.44 H new ATOM 0 HD21 LEU A 3 -0.944 -0.858 -1.304 1.00 45.14 H new ATOM 0 HD22 LEU A 3 -1.564 0.484 -2.295 1.00 45.14 H new ATOM 0 HD23 LEU A 3 -0.104 0.711 -1.305 1.00 45.14 H new ATOM 47 N ASP A 4 -1.762 2.678 3.215 1.00 42.43 N ATOM 48 CA ASP A 4 -0.774 2.943 4.254 1.00 2.31 C ATOM 49 C ASP A 4 -0.610 4.443 4.478 1.00 1.34 C ATOM 50 O ASP A 4 0.439 4.902 4.930 1.00 52.31 O ATOM 51 CB ASP A 4 0.572 2.321 3.879 1.00 40.12 C ATOM 52 CG ASP A 4 1.341 1.831 5.090 1.00 70.32 C ATOM 53 OD1 ASP A 4 1.754 2.675 5.912 1.00 55.01 O ATOM 54 OD2 ASP A 4 1.531 0.603 5.215 1.00 20.50 O ATOM 0 H ASP A 4 -2.527 2.069 3.506 1.00 42.43 H new ATOM 0 HA ASP A 4 -1.128 2.492 5.181 1.00 2.31 H new ATOM 0 HB2 ASP A 4 0.406 1.488 3.196 1.00 40.12 H new ATOM 0 HB3 ASP A 4 1.173 3.057 3.344 1.00 40.12 H new ATOM 59 N ALA A 5 -1.653 5.202 4.159 1.00 74.31 N ATOM 60 CA ALA A 5 -1.625 6.649 4.326 1.00 13.43 C ATOM 61 C ALA A 5 -3.001 7.258 4.077 1.00 33.31 C ATOM 62 O ALA A 5 -3.169 8.093 3.190 1.00 54.11 O ATOM 63 CB ALA A 5 -0.595 7.269 3.393 1.00 35.31 C ATOM 0 H ALA A 5 -2.529 4.838 3.783 1.00 74.31 H new ATOM 0 HA ALA A 5 -1.342 6.865 5.356 1.00 13.43 H new ATOM 0 HB1 ALA A 5 -0.585 8.350 3.529 1.00 35.31 H new ATOM 0 HB2 ALA A 5 0.392 6.866 3.621 1.00 35.31 H new ATOM 0 HB3 ALA A 5 -0.853 7.035 2.360 1.00 35.31 H new ATOM 69 N ASN A 6 -3.983 6.832 4.866 1.00 41.14 N ATOM 70 CA ASN A 6 -5.345 7.335 4.729 1.00 32.41 C ATOM 71 C ASN A 6 -6.271 6.681 5.751 1.00 41.31 C ATOM 72 O ASN A 6 -5.905 5.700 6.397 1.00 25.34 O ATOM 73 CB ASN A 6 -5.867 7.077 3.314 1.00 44.01 C ATOM 74 CG ASN A 6 -6.259 8.356 2.600 1.00 3.55 C ATOM 75 OD1 ASN A 6 -7.284 8.963 2.909 1.00 13.45 O ATOM 76 ND2 ASN A 6 -5.442 8.772 1.640 1.00 45.32 N ATOM 0 H ASN A 6 -3.861 6.141 5.606 1.00 41.14 H new ATOM 0 HA ASN A 6 -5.329 8.409 4.913 1.00 32.41 H new ATOM 0 HB2 ASN A 6 -5.101 6.561 2.735 1.00 44.01 H new ATOM 0 HB3 ASN A 6 -6.730 6.413 3.363 1.00 44.01 H new ATOM 0 HD21 ASN A 6 -5.654 9.627 1.125 1.00 45.32 H new ATOM 0 HD22 ASN A 6 -4.603 8.237 1.417 1.00 45.32 H new ATOM 83 N ASP A 7 -7.472 7.232 5.890 1.00 4.34 N ATOM 84 CA ASP A 7 -8.451 6.703 6.832 1.00 32.30 C ATOM 85 C ASP A 7 -9.319 5.636 6.171 1.00 24.01 C ATOM 86 O ASP A 7 -10.105 4.960 6.836 1.00 11.42 O ATOM 87 CB ASP A 7 -9.331 7.830 7.373 1.00 14.32 C ATOM 88 CG ASP A 7 -10.473 8.174 6.437 1.00 42.14 C ATOM 89 OD1 ASP A 7 -10.221 8.314 5.222 1.00 50.43 O ATOM 90 OD2 ASP A 7 -11.618 8.304 6.919 1.00 62.15 O ATOM 0 H ASP A 7 -7.791 8.045 5.362 1.00 4.34 H new ATOM 0 HA ASP A 7 -7.911 6.245 7.661 1.00 32.30 H new ATOM 0 HB2 ASP A 7 -9.735 7.538 8.342 1.00 14.32 H new ATOM 0 HB3 ASP A 7 -8.720 8.717 7.537 1.00 14.32 H new ATOM 95 N LEU A 8 -9.171 5.490 4.859 1.00 12.40 N ATOM 96 CA LEU A 8 -9.942 4.506 4.107 1.00 40.20 C ATOM 97 C LEU A 8 -9.417 3.096 4.358 1.00 15.14 C ATOM 98 O LEU A 8 -10.140 2.113 4.186 1.00 10.52 O ATOM 99 CB LEU A 8 -9.890 4.823 2.611 1.00 23.04 C ATOM 100 CG LEU A 8 -11.141 5.472 2.019 1.00 61.04 C ATOM 101 CD1 LEU A 8 -12.314 4.506 2.061 1.00 35.31 C ATOM 102 CD2 LEU A 8 -11.478 6.757 2.761 1.00 31.42 C ATOM 0 H LEU A 8 -8.524 6.040 4.294 1.00 12.40 H new ATOM 0 HA LEU A 8 -10.977 4.555 4.447 1.00 40.20 H new ATOM 0 HB2 LEU A 8 -9.042 5.483 2.429 1.00 23.04 H new ATOM 0 HB3 LEU A 8 -9.695 3.897 2.070 1.00 23.04 H new ATOM 0 HG LEU A 8 -10.939 5.721 0.977 1.00 61.04 H new ATOM 0 HD11 LEU A 8 -13.196 4.985 1.635 1.00 35.31 H new ATOM 0 HD12 LEU A 8 -12.072 3.614 1.483 1.00 35.31 H new ATOM 0 HD13 LEU A 8 -12.517 4.225 3.094 1.00 35.31 H new ATOM 0 HD21 LEU A 8 -12.371 7.205 2.326 1.00 31.42 H new ATOM 0 HD22 LEU A 8 -11.660 6.533 3.812 1.00 31.42 H new ATOM 0 HD23 LEU A 8 -10.645 7.455 2.677 1.00 31.42 H new ATOM 114 N LEU A 9 -8.157 3.004 4.768 1.00 33.34 N ATOM 115 CA LEU A 9 -7.536 1.714 5.046 1.00 21.55 C ATOM 116 C LEU A 9 -7.574 1.401 6.539 1.00 50.10 C ATOM 117 O LEU A 9 -7.623 2.295 7.384 1.00 34.23 O ATOM 118 CB LEU A 9 -6.090 1.704 4.549 1.00 45.14 C ATOM 119 CG LEU A 9 -5.269 2.960 4.845 1.00 33.03 C ATOM 120 CD1 LEU A 9 -3.941 2.591 5.486 1.00 25.32 C ATOM 121 CD2 LEU A 9 -5.045 3.763 3.573 1.00 43.34 C ATOM 0 H LEU A 9 -7.546 3.807 4.915 1.00 33.34 H new ATOM 0 HA LEU A 9 -8.101 0.946 4.518 1.00 21.55 H new ATOM 0 HB2 LEU A 9 -5.581 0.848 4.992 1.00 45.14 H new ATOM 0 HB3 LEU A 9 -6.099 1.546 3.471 1.00 45.14 H new ATOM 0 HG LEU A 9 -5.828 3.579 5.547 1.00 33.03 H new ATOM 0 HD11 LEU A 9 -3.371 3.497 5.689 1.00 25.32 H new ATOM 0 HD12 LEU A 9 -4.123 2.060 6.420 1.00 25.32 H new ATOM 0 HD13 LEU A 9 -3.376 1.951 4.809 1.00 25.32 H new ATOM 0 HD21 LEU A 9 -4.459 4.653 3.803 1.00 43.34 H new ATOM 0 HD22 LEU A 9 -4.508 3.152 2.847 1.00 43.34 H new ATOM 0 HD23 LEU A 9 -6.007 4.060 3.156 1.00 43.34 H new ATOM 133 N PRO A 10 -7.549 0.102 6.873 1.00 45.23 N ATOM 134 CA PRO A 10 -7.576 -0.358 8.264 1.00 34.32 C ATOM 135 C PRO A 10 -6.282 -0.042 9.006 1.00 52.53 C ATOM 136 O PRO A 10 -5.246 0.239 8.403 1.00 0.20 O ATOM 137 CB PRO A 10 -7.761 -1.872 8.133 1.00 21.22 C ATOM 138 CG PRO A 10 -7.206 -2.207 6.792 1.00 44.22 C ATOM 139 CD PRO A 10 -7.490 -1.017 5.917 1.00 1.14 C ATOM 0 HA PRO A 10 -8.360 0.134 8.840 1.00 34.32 H new ATOM 0 HB2 PRO A 10 -7.234 -2.405 8.924 1.00 21.22 H new ATOM 0 HB3 PRO A 10 -8.812 -2.150 8.207 1.00 21.22 H new ATOM 0 HG2 PRO A 10 -6.135 -2.402 6.850 1.00 44.22 H new ATOM 0 HG3 PRO A 10 -7.672 -3.107 6.390 1.00 44.22 H new ATOM 0 HD2 PRO A 10 -6.707 -0.869 5.173 1.00 1.14 H new ATOM 0 HD3 PRO A 10 -8.428 -1.132 5.374 1.00 1.14 H new ATOM 147 N PRO A 11 -6.340 -0.087 10.345 1.00 72.31 N ATOM 148 CA PRO A 11 -5.181 0.191 11.197 1.00 4.14 C ATOM 149 C PRO A 11 -4.120 -0.901 11.108 1.00 31.03 C ATOM 150 O PRO A 11 -3.032 -0.769 11.667 1.00 10.54 O ATOM 151 CB PRO A 11 -5.779 0.241 12.605 1.00 13.43 C ATOM 152 CG PRO A 11 -7.009 -0.596 12.524 1.00 23.13 C ATOM 153 CD PRO A 11 -7.542 -0.415 11.130 1.00 11.21 C ATOM 0 HA PRO A 11 -4.670 1.108 10.903 1.00 4.14 H new ATOM 0 HB2 PRO A 11 -5.082 -0.151 13.345 1.00 13.43 H new ATOM 0 HB3 PRO A 11 -6.015 1.264 12.899 1.00 13.43 H new ATOM 0 HG2 PRO A 11 -6.782 -1.644 12.722 1.00 23.13 H new ATOM 0 HG3 PRO A 11 -7.743 -0.283 13.266 1.00 23.13 H new ATOM 0 HD2 PRO A 11 -8.026 -1.321 10.764 1.00 11.21 H new ATOM 0 HD3 PRO A 11 -8.283 0.383 11.083 1.00 11.21 H new ATOM 161 N GLU A 12 -4.445 -1.979 10.402 1.00 72.04 N ATOM 162 CA GLU A 12 -3.519 -3.094 10.241 1.00 51.15 C ATOM 163 C GLU A 12 -2.276 -2.661 9.469 1.00 61.34 C ATOM 164 O GLU A 12 -1.152 -2.800 9.951 1.00 3.11 O ATOM 165 CB GLU A 12 -4.204 -4.255 9.516 1.00 14.53 C ATOM 166 CG GLU A 12 -5.521 -4.674 10.148 1.00 52.41 C ATOM 167 CD GLU A 12 -5.711 -6.178 10.158 1.00 61.13 C ATOM 168 OE1 GLU A 12 -4.996 -6.860 10.922 1.00 71.55 O ATOM 169 OE2 GLU A 12 -6.573 -6.673 9.402 1.00 0.11 O ATOM 0 H GLU A 12 -5.342 -2.104 9.933 1.00 72.04 H new ATOM 0 HA GLU A 12 -3.213 -3.425 11.233 1.00 51.15 H new ATOM 0 HB2 GLU A 12 -4.382 -3.970 8.479 1.00 14.53 H new ATOM 0 HB3 GLU A 12 -3.530 -5.111 9.500 1.00 14.53 H new ATOM 0 HG2 GLU A 12 -5.564 -4.299 11.171 1.00 52.41 H new ATOM 0 HG3 GLU A 12 -6.344 -4.211 9.604 1.00 52.41 H new ATOM 176 N LYS A 13 -2.486 -2.137 8.266 1.00 11.10 N ATOM 177 CA LYS A 13 -1.385 -1.683 7.426 1.00 44.24 C ATOM 178 C LYS A 13 -1.083 -0.208 7.673 1.00 33.14 C ATOM 179 O LYS A 13 -0.036 0.297 7.272 1.00 65.12 O ATOM 180 CB LYS A 13 -1.718 -1.905 5.949 1.00 43.04 C ATOM 181 CG LYS A 13 -2.758 -0.940 5.408 1.00 51.43 C ATOM 182 CD LYS A 13 -4.005 -1.670 4.937 1.00 2.30 C ATOM 183 CE LYS A 13 -3.725 -2.510 3.700 1.00 12.23 C ATOM 184 NZ LYS A 13 -4.979 -2.890 2.993 1.00 52.33 N ATOM 0 H LYS A 13 -3.410 -2.016 7.851 1.00 11.10 H new ATOM 0 HA LYS A 13 -0.501 -2.265 7.685 1.00 44.24 H new ATOM 0 HB2 LYS A 13 -0.805 -1.809 5.361 1.00 43.04 H new ATOM 0 HB3 LYS A 13 -2.077 -2.925 5.816 1.00 43.04 H new ATOM 0 HG2 LYS A 13 -3.027 -0.222 6.182 1.00 51.43 H new ATOM 0 HG3 LYS A 13 -2.333 -0.372 4.580 1.00 51.43 H new ATOM 0 HD2 LYS A 13 -4.377 -2.311 5.737 1.00 2.30 H new ATOM 0 HD3 LYS A 13 -4.790 -0.947 4.717 1.00 2.30 H new ATOM 0 HE2 LYS A 13 -3.080 -1.953 3.021 1.00 12.23 H new ATOM 0 HE3 LYS A 13 -3.183 -3.411 3.988 1.00 12.23 H new ATOM 0 HZ1 LYS A 13 -4.746 -3.462 2.156 1.00 52.33 H new ATOM 0 HZ2 LYS A 13 -5.584 -3.443 3.633 1.00 52.33 H new ATOM 0 HZ3 LYS A 13 -5.484 -2.031 2.696 1.00 52.33 H new ATOM 198 N ALA A 14 -2.008 0.476 8.338 1.00 12.54 N ATOM 199 CA ALA A 14 -1.839 1.892 8.643 1.00 74.13 C ATOM 200 C ALA A 14 -0.648 2.116 9.568 1.00 52.30 C ATOM 201 O ALA A 14 -0.019 3.174 9.541 1.00 41.21 O ATOM 202 CB ALA A 14 -3.108 2.452 9.267 1.00 14.55 C ATOM 0 H ALA A 14 -2.882 0.073 8.676 1.00 12.54 H new ATOM 0 HA ALA A 14 -1.644 2.419 7.709 1.00 74.13 H new ATOM 0 HB1 ALA A 14 -2.968 3.510 9.490 1.00 14.55 H new ATOM 0 HB2 ALA A 14 -3.938 2.335 8.571 1.00 14.55 H new ATOM 0 HB3 ALA A 14 -3.329 1.913 10.189 1.00 14.55 H new ATOM 208 N PHE A 15 -0.344 1.115 10.387 1.00 71.22 N ATOM 209 CA PHE A 15 0.771 1.204 11.322 1.00 21.22 C ATOM 210 C PHE A 15 1.840 0.165 10.995 1.00 51.24 C ATOM 211 O PHE A 15 1.537 -1.010 10.787 1.00 51.23 O ATOM 212 CB PHE A 15 0.278 1.009 12.757 1.00 15.03 C ATOM 213 CG PHE A 15 -0.917 1.853 13.100 1.00 31.40 C ATOM 214 CD1 PHE A 15 -0.874 3.230 12.953 1.00 32.34 C ATOM 215 CD2 PHE A 15 -2.083 1.268 13.568 1.00 1.43 C ATOM 216 CE1 PHE A 15 -1.972 4.008 13.269 1.00 42.12 C ATOM 217 CE2 PHE A 15 -3.184 2.042 13.885 1.00 61.21 C ATOM 218 CZ PHE A 15 -3.128 3.413 13.734 1.00 54.40 C ATOM 0 H PHE A 15 -0.854 0.233 10.422 1.00 71.22 H new ATOM 0 HA PHE A 15 1.212 2.196 11.228 1.00 21.22 H new ATOM 0 HB2 PHE A 15 0.026 -0.041 12.907 1.00 15.03 H new ATOM 0 HB3 PHE A 15 1.089 1.244 13.446 1.00 15.03 H new ATOM 0 HD1 PHE A 15 0.027 3.700 12.588 1.00 32.34 H new ATOM 0 HD2 PHE A 15 -2.132 0.196 13.686 1.00 1.43 H new ATOM 0 HE1 PHE A 15 -1.926 5.081 13.152 1.00 42.12 H new ATOM 0 HE2 PHE A 15 -4.087 1.575 14.250 1.00 61.21 H new ATOM 0 HZ PHE A 15 -3.987 4.019 13.979 1.00 54.40 H new ATOM 228 N VAL A 16 3.093 0.608 10.950 1.00 74.32 N ATOM 229 CA VAL A 16 4.207 -0.282 10.648 1.00 25.22 C ATOM 230 C VAL A 16 5.202 -0.327 11.802 1.00 24.34 C ATOM 231 O VAL A 16 6.230 0.350 11.796 1.00 43.35 O ATOM 232 CB VAL A 16 4.943 0.154 9.367 1.00 3.24 C ATOM 233 CG1 VAL A 16 5.967 -0.893 8.957 1.00 43.14 C ATOM 234 CG2 VAL A 16 3.950 0.410 8.244 1.00 41.11 C ATOM 0 H VAL A 16 3.361 1.577 11.119 1.00 74.32 H new ATOM 0 HA VAL A 16 3.786 -1.276 10.496 1.00 25.22 H new ATOM 0 HB VAL A 16 5.473 1.084 9.571 1.00 3.24 H new ATOM 0 HG11 VAL A 16 6.477 -0.568 8.050 1.00 43.14 H new ATOM 0 HG12 VAL A 16 6.696 -1.022 9.757 1.00 43.14 H new ATOM 0 HG13 VAL A 16 5.463 -1.841 8.770 1.00 43.14 H new ATOM 0 HG21 VAL A 16 4.487 0.717 7.347 1.00 41.11 H new ATOM 0 HG22 VAL A 16 3.391 -0.503 8.038 1.00 41.11 H new ATOM 0 HG23 VAL A 16 3.260 1.199 8.542 1.00 41.11 H new ATOM 244 N PRO A 17 4.892 -1.145 12.819 1.00 23.22 N ATOM 245 CA PRO A 17 5.747 -1.300 14.000 1.00 1.40 C ATOM 246 C PRO A 17 7.048 -2.028 13.682 1.00 25.12 C ATOM 247 O PRO A 17 7.053 -3.017 12.949 1.00 4.45 O ATOM 248 CB PRO A 17 4.887 -2.132 14.954 1.00 23.50 C ATOM 249 CG PRO A 17 3.956 -2.884 14.067 1.00 63.15 C ATOM 250 CD PRO A 17 3.683 -1.983 12.894 1.00 4.33 C ATOM 0 HA PRO A 17 6.053 -0.338 14.411 1.00 1.40 H new ATOM 0 HB2 PRO A 17 5.499 -2.809 15.550 1.00 23.50 H new ATOM 0 HB3 PRO A 17 4.342 -1.496 15.652 1.00 23.50 H new ATOM 0 HG2 PRO A 17 4.401 -3.824 13.742 1.00 63.15 H new ATOM 0 HG3 PRO A 17 3.033 -3.133 14.591 1.00 63.15 H new ATOM 0 HD2 PRO A 17 3.531 -2.552 11.977 1.00 4.33 H new ATOM 0 HD3 PRO A 17 2.787 -1.382 13.049 1.00 4.33 H new ATOM 258 N GLU A 18 8.150 -1.533 14.239 1.00 73.12 N ATOM 259 CA GLU A 18 9.457 -2.138 14.013 1.00 20.22 C ATOM 260 C GLU A 18 10.315 -2.065 15.273 1.00 20.21 C ATOM 261 O GLU A 18 10.381 -1.028 15.934 1.00 14.21 O ATOM 262 CB GLU A 18 10.173 -1.442 12.854 1.00 1.42 C ATOM 263 CG GLU A 18 10.832 -2.403 11.880 1.00 72.34 C ATOM 264 CD GLU A 18 11.257 -1.727 10.590 1.00 33.44 C ATOM 265 OE1 GLU A 18 12.250 -0.971 10.616 1.00 53.22 O ATOM 266 OE2 GLU A 18 10.596 -1.956 9.556 1.00 55.23 O ATOM 0 H GLU A 18 8.163 -0.716 14.849 1.00 73.12 H new ATOM 0 HA GLU A 18 9.304 -3.187 13.758 1.00 20.22 H new ATOM 0 HB2 GLU A 18 9.456 -0.825 12.313 1.00 1.42 H new ATOM 0 HB3 GLU A 18 10.931 -0.770 13.257 1.00 1.42 H new ATOM 0 HG2 GLU A 18 11.704 -2.854 12.354 1.00 72.34 H new ATOM 0 HG3 GLU A 18 10.140 -3.213 11.650 1.00 72.34 H new ATOM 273 N LEU A 19 10.971 -3.173 15.600 1.00 33.20 N ATOM 274 CA LEU A 19 11.825 -3.237 16.781 1.00 51.41 C ATOM 275 C LEU A 19 13.298 -3.182 16.391 1.00 44.22 C ATOM 276 O LEU A 19 13.685 -3.650 15.320 1.00 1.14 O ATOM 277 CB LEU A 19 11.542 -4.515 17.571 1.00 30.42 C ATOM 278 CG LEU A 19 11.019 -4.323 18.995 1.00 11.41 C ATOM 279 CD1 LEU A 19 12.140 -3.875 19.920 1.00 42.34 C ATOM 280 CD2 LEU A 19 9.877 -3.317 19.012 1.00 2.32 C ATOM 0 H LEU A 19 10.928 -4.040 15.064 1.00 33.20 H new ATOM 0 HA LEU A 19 11.602 -2.374 17.408 1.00 51.41 H new ATOM 0 HB2 LEU A 19 10.815 -5.108 17.016 1.00 30.42 H new ATOM 0 HB3 LEU A 19 12.461 -5.100 17.619 1.00 30.42 H new ATOM 0 HG LEU A 19 10.640 -5.280 19.354 1.00 11.41 H new ATOM 0 HD11 LEU A 19 11.749 -3.744 20.929 1.00 42.34 H new ATOM 0 HD12 LEU A 19 12.926 -4.630 19.931 1.00 42.34 H new ATOM 0 HD13 LEU A 19 12.550 -2.930 19.564 1.00 42.34 H new ATOM 0 HD21 LEU A 19 9.517 -3.193 20.033 1.00 2.32 H new ATOM 0 HD22 LEU A 19 10.231 -2.358 18.633 1.00 2.32 H new ATOM 0 HD23 LEU A 19 9.064 -3.679 18.382 1.00 2.32 H new ATOM 292 N ALA A 20 14.116 -2.609 17.268 1.00 45.25 N ATOM 293 CA ALA A 20 15.548 -2.497 17.017 1.00 50.13 C ATOM 294 C ALA A 20 16.341 -2.582 18.316 1.00 24.42 C ATOM 295 O ALA A 20 16.369 -1.635 19.102 1.00 60.11 O ATOM 296 CB ALA A 20 15.857 -1.195 16.292 1.00 33.12 C ATOM 0 H ALA A 20 13.812 -2.215 18.158 1.00 45.25 H new ATOM 0 HA ALA A 20 15.847 -3.332 16.384 1.00 50.13 H new ATOM 0 HB1 ALA A 20 16.930 -1.125 16.111 1.00 33.12 H new ATOM 0 HB2 ALA A 20 15.326 -1.174 15.340 1.00 33.12 H new ATOM 0 HB3 ALA A 20 15.537 -0.352 16.905 1.00 33.12 H new ATOM 302 N VAL A 21 16.985 -3.724 18.537 1.00 24.10 N ATOM 303 CA VAL A 21 17.780 -3.933 19.742 1.00 71.05 C ATOM 304 C VAL A 21 19.141 -3.255 19.627 1.00 72.44 C ATOM 305 O VAL A 21 19.793 -3.322 18.585 1.00 32.41 O ATOM 306 CB VAL A 21 17.988 -5.433 20.024 1.00 53.13 C ATOM 307 CG1 VAL A 21 19.196 -5.645 20.923 1.00 11.22 C ATOM 308 CG2 VAL A 21 16.737 -6.036 20.646 1.00 42.31 C ATOM 0 H VAL A 21 16.972 -4.519 17.897 1.00 24.10 H new ATOM 0 HA VAL A 21 17.225 -3.489 20.568 1.00 71.05 H new ATOM 0 HB VAL A 21 18.177 -5.940 19.078 1.00 53.13 H new ATOM 0 HG11 VAL A 21 19.327 -6.711 21.111 1.00 11.22 H new ATOM 0 HG12 VAL A 21 20.087 -5.251 20.434 1.00 11.22 H new ATOM 0 HG13 VAL A 21 19.041 -5.126 21.869 1.00 11.22 H new ATOM 0 HG21 VAL A 21 16.901 -7.096 20.839 1.00 42.31 H new ATOM 0 HG22 VAL A 21 16.515 -5.527 21.584 1.00 42.31 H new ATOM 0 HG23 VAL A 21 15.897 -5.918 19.962 1.00 42.31 H new ATOM 318 N ALA A 22 19.564 -2.603 20.704 1.00 32.24 N ATOM 319 CA ALA A 22 20.849 -1.915 20.726 1.00 73.33 C ATOM 320 C ALA A 22 21.712 -2.400 21.886 1.00 54.40 C ATOM 321 O ALA A 22 21.319 -3.297 22.631 1.00 21.35 O ATOM 322 CB ALA A 22 20.640 -0.411 20.813 1.00 44.44 C ATOM 0 H ALA A 22 19.035 -2.536 21.574 1.00 32.24 H new ATOM 0 HA ALA A 22 21.373 -2.145 19.798 1.00 73.33 H new ATOM 0 HB1 ALA A 22 21.608 0.091 20.829 1.00 44.44 H new ATOM 0 HB2 ALA A 22 20.070 -0.072 19.948 1.00 44.44 H new ATOM 0 HB3 ALA A 22 20.093 -0.172 21.725 1.00 44.44 H new ATOM 328 N ASP A 23 22.888 -1.801 22.032 1.00 2.54 N ATOM 329 CA ASP A 23 23.807 -2.171 23.103 1.00 51.23 C ATOM 330 C ASP A 23 23.556 -1.329 24.350 1.00 75.20 C ATOM 331 O ASP A 23 23.980 -1.688 25.449 1.00 41.54 O ATOM 332 CB ASP A 23 25.255 -2.002 22.642 1.00 44.23 C ATOM 333 CG ASP A 23 26.194 -2.989 23.307 1.00 33.41 C ATOM 334 OD1 ASP A 23 25.756 -3.682 24.250 1.00 54.22 O ATOM 335 OD2 ASP A 23 27.366 -3.071 22.885 1.00 52.54 O ATOM 0 H ASP A 23 23.228 -1.057 21.423 1.00 2.54 H new ATOM 0 HA ASP A 23 23.633 -3.218 23.352 1.00 51.23 H new ATOM 0 HB2 ASP A 23 25.306 -2.129 21.561 1.00 44.23 H new ATOM 0 HB3 ASP A 23 25.586 -0.987 22.860 1.00 44.23 H new ATOM 340 N ASP A 24 22.864 -0.209 24.172 1.00 60.00 N ATOM 341 CA ASP A 24 22.556 0.684 25.283 1.00 50.11 C ATOM 342 C ASP A 24 21.052 0.741 25.534 1.00 63.42 C ATOM 343 O ASP A 24 20.564 1.616 26.248 1.00 63.42 O ATOM 344 CB ASP A 24 23.092 2.088 25.000 1.00 54.42 C ATOM 345 CG ASP A 24 24.364 2.388 25.767 1.00 45.12 C ATOM 346 OD1 ASP A 24 24.342 2.295 27.012 1.00 43.23 O ATOM 347 OD2 ASP A 24 25.383 2.716 25.122 1.00 13.51 O ATOM 0 H ASP A 24 22.506 0.102 23.269 1.00 60.00 H new ATOM 0 HA ASP A 24 23.041 0.292 26.177 1.00 50.11 H new ATOM 0 HB2 ASP A 24 23.282 2.192 23.932 1.00 54.42 H new ATOM 0 HB3 ASP A 24 22.331 2.824 25.262 1.00 54.42 H new ATOM 352 N GLY A 25 20.322 -0.199 24.940 1.00 4.01 N ATOM 353 CA GLY A 25 18.882 -0.237 25.111 1.00 73.25 C ATOM 354 C GLY A 25 18.163 -0.722 23.867 1.00 45.44 C ATOM 355 O GLY A 25 18.793 -1.209 22.928 1.00 52.15 O ATOM 0 H GLY A 25 20.703 -0.934 24.344 1.00 4.01 H new ATOM 0 HA2 GLY A 25 18.636 -0.891 25.948 1.00 73.25 H new ATOM 0 HA3 GLY A 25 18.523 0.759 25.369 1.00 73.25 H new ATOM 359 N VAL A 26 16.841 -0.589 23.860 1.00 72.25 N ATOM 360 CA VAL A 26 16.036 -1.018 22.722 1.00 52.51 C ATOM 361 C VAL A 26 15.262 0.152 22.125 1.00 15.30 C ATOM 362 O VAL A 26 14.730 0.992 22.850 1.00 53.02 O ATOM 363 CB VAL A 26 15.043 -2.125 23.122 1.00 21.10 C ATOM 364 CG1 VAL A 26 14.423 -2.759 21.886 1.00 0.30 C ATOM 365 CG2 VAL A 26 15.734 -3.175 23.980 1.00 52.52 C ATOM 0 H VAL A 26 16.304 -0.188 24.629 1.00 72.25 H new ATOM 0 HA VAL A 26 16.727 -1.412 21.976 1.00 52.51 H new ATOM 0 HB VAL A 26 14.243 -1.676 23.711 1.00 21.10 H new ATOM 0 HG11 VAL A 26 13.724 -3.539 22.189 1.00 0.30 H new ATOM 0 HG12 VAL A 26 13.892 -1.998 21.314 1.00 0.30 H new ATOM 0 HG13 VAL A 26 15.208 -3.195 21.268 1.00 0.30 H new ATOM 0 HG21 VAL A 26 15.018 -3.950 24.254 1.00 52.52 H new ATOM 0 HG22 VAL A 26 16.555 -3.621 23.418 1.00 52.52 H new ATOM 0 HG23 VAL A 26 16.125 -2.707 24.883 1.00 52.52 H new ATOM 375 N ASN A 27 15.202 0.200 20.798 1.00 3.21 N ATOM 376 CA ASN A 27 14.493 1.268 20.103 1.00 73.13 C ATOM 377 C ASN A 27 13.352 0.704 19.260 1.00 3.34 C ATOM 378 O ASN A 27 13.540 -0.242 18.496 1.00 52.15 O ATOM 379 CB ASN A 27 15.458 2.055 19.214 1.00 54.03 C ATOM 380 CG ASN A 27 15.884 3.367 19.843 1.00 10.22 C ATOM 381 OD1 ASN A 27 16.846 3.417 20.610 1.00 60.03 O ATOM 382 ND2 ASN A 27 15.167 4.438 19.522 1.00 64.14 N ATOM 0 H ASN A 27 15.636 -0.488 20.183 1.00 3.21 H new ATOM 0 HA ASN A 27 14.071 1.938 20.852 1.00 73.13 H new ATOM 0 HB2 ASN A 27 16.341 1.448 19.014 1.00 54.03 H new ATOM 0 HB3 ASN A 27 14.983 2.253 18.253 1.00 54.03 H new ATOM 0 HD21 ASN A 27 15.406 5.348 19.915 1.00 64.14 H new ATOM 0 HD22 ASN A 27 14.378 4.350 18.882 1.00 64.14 H new ATOM 389 N VAL A 28 12.169 1.293 19.406 1.00 4.01 N ATOM 390 CA VAL A 28 10.998 0.851 18.658 1.00 44.50 C ATOM 391 C VAL A 28 10.384 2.002 17.869 1.00 43.31 C ATOM 392 O VAL A 28 10.101 3.066 18.421 1.00 21.41 O ATOM 393 CB VAL A 28 9.928 0.255 19.591 1.00 23.23 C ATOM 394 CG1 VAL A 28 9.418 1.309 20.562 1.00 24.01 C ATOM 395 CG2 VAL A 28 8.783 -0.334 18.781 1.00 43.32 C ATOM 0 H VAL A 28 11.996 2.077 20.035 1.00 4.01 H new ATOM 0 HA VAL A 28 11.337 0.080 17.966 1.00 44.50 H new ATOM 0 HB VAL A 28 10.383 -0.548 20.171 1.00 23.23 H new ATOM 0 HG11 VAL A 28 8.663 0.869 21.213 1.00 24.01 H new ATOM 0 HG12 VAL A 28 10.247 1.679 21.166 1.00 24.01 H new ATOM 0 HG13 VAL A 28 8.979 2.136 20.004 1.00 24.01 H new ATOM 0 HG21 VAL A 28 8.036 -0.751 19.457 1.00 43.32 H new ATOM 0 HG22 VAL A 28 8.327 0.448 18.174 1.00 43.32 H new ATOM 0 HG23 VAL A 28 9.164 -1.122 18.131 1.00 43.32 H new ATOM 405 N ARG A 29 10.181 1.782 16.574 1.00 14.51 N ATOM 406 CA ARG A 29 9.600 2.802 15.708 1.00 22.32 C ATOM 407 C ARG A 29 8.414 2.242 14.929 1.00 72.40 C ATOM 408 O ARG A 29 8.492 1.156 14.354 1.00 62.22 O ATOM 409 CB ARG A 29 10.654 3.337 14.738 1.00 44.33 C ATOM 410 CG ARG A 29 10.123 4.394 13.783 1.00 13.25 C ATOM 411 CD ARG A 29 9.726 3.788 12.446 1.00 13.43 C ATOM 412 NE ARG A 29 10.874 3.236 11.733 1.00 3.21 N ATOM 413 CZ ARG A 29 11.808 3.983 11.154 1.00 21.31 C ATOM 414 NH1 ARG A 29 11.730 5.305 11.204 1.00 12.35 N ATOM 415 NH2 ARG A 29 12.823 3.406 10.524 1.00 45.34 N ATOM 0 H ARG A 29 10.410 0.908 16.101 1.00 14.51 H new ATOM 0 HA ARG A 29 9.246 3.619 16.337 1.00 22.32 H new ATOM 0 HB2 ARG A 29 11.481 3.759 15.310 1.00 44.33 H new ATOM 0 HB3 ARG A 29 11.058 2.506 14.159 1.00 44.33 H new ATOM 0 HG2 ARG A 29 9.261 4.889 14.230 1.00 13.25 H new ATOM 0 HG3 ARG A 29 10.884 5.159 13.626 1.00 13.25 H new ATOM 0 HD2 ARG A 29 8.988 3.002 12.609 1.00 13.43 H new ATOM 0 HD3 ARG A 29 9.249 4.550 11.830 1.00 13.43 H new ATOM 0 HE ARG A 29 10.964 2.222 11.676 1.00 3.21 H new ATOM 0 HH11 ARG A 29 10.951 5.752 11.688 1.00 12.35 H new ATOM 0 HH12 ARG A 29 12.449 5.875 10.759 1.00 12.35 H new ATOM 0 HH21 ARG A 29 12.886 2.389 10.484 1.00 45.34 H new ATOM 0 HH22 ARG A 29 13.540 3.980 10.080 1.00 45.34 H new ATOM 429 N PHE A 30 7.315 2.990 14.915 1.00 25.40 N ATOM 430 CA PHE A 30 6.112 2.568 14.208 1.00 70.50 C ATOM 431 C PHE A 30 5.645 3.648 13.237 1.00 75.20 C ATOM 432 O PHE A 30 5.308 4.760 13.644 1.00 33.31 O ATOM 433 CB PHE A 30 4.997 2.244 15.204 1.00 14.12 C ATOM 434 CG PHE A 30 5.305 2.675 16.610 1.00 72.22 C ATOM 435 CD1 PHE A 30 6.086 1.883 17.436 1.00 60.55 C ATOM 436 CD2 PHE A 30 4.814 3.872 17.105 1.00 32.01 C ATOM 437 CE1 PHE A 30 6.370 2.276 18.729 1.00 4.25 C ATOM 438 CE2 PHE A 30 5.095 4.271 18.398 1.00 3.12 C ATOM 439 CZ PHE A 30 5.875 3.472 19.211 1.00 45.40 C ATOM 0 H PHE A 30 7.233 3.891 15.385 1.00 25.40 H new ATOM 0 HA PHE A 30 6.352 1.671 13.637 1.00 70.50 H new ATOM 0 HB2 PHE A 30 4.077 2.728 14.877 1.00 14.12 H new ATOM 0 HB3 PHE A 30 4.813 1.170 15.194 1.00 14.12 H new ATOM 0 HD1 PHE A 30 6.477 0.947 17.064 1.00 60.55 H new ATOM 0 HD2 PHE A 30 4.204 4.501 16.473 1.00 32.01 H new ATOM 0 HE1 PHE A 30 6.979 1.649 19.363 1.00 4.25 H new ATOM 0 HE2 PHE A 30 4.705 5.206 18.772 1.00 3.12 H new ATOM 0 HZ PHE A 30 6.097 3.782 20.221 1.00 45.40 H new ATOM 449 N ARG A 31 5.628 3.312 11.951 1.00 14.02 N ATOM 450 CA ARG A 31 5.204 4.253 10.921 1.00 32.14 C ATOM 451 C ARG A 31 3.682 4.293 10.815 1.00 41.40 C ATOM 452 O ARG A 31 3.047 3.295 10.474 1.00 63.04 O ATOM 453 CB ARG A 31 5.810 3.870 9.570 1.00 2.20 C ATOM 454 CG ARG A 31 7.284 3.507 9.645 1.00 61.31 C ATOM 455 CD ARG A 31 8.037 3.978 8.411 1.00 64.43 C ATOM 456 NE ARG A 31 7.443 3.466 7.179 1.00 51.55 N ATOM 457 CZ ARG A 31 7.651 2.238 6.717 1.00 54.43 C ATOM 458 NH1 ARG A 31 8.433 1.400 7.382 1.00 45.14 N ATOM 459 NH2 ARG A 31 7.074 1.847 5.588 1.00 70.43 N ATOM 0 H ARG A 31 5.903 2.395 11.598 1.00 14.02 H new ATOM 0 HA ARG A 31 5.558 5.245 11.202 1.00 32.14 H new ATOM 0 HB2 ARG A 31 5.257 3.025 9.160 1.00 2.20 H new ATOM 0 HB3 ARG A 31 5.684 4.701 8.876 1.00 2.20 H new ATOM 0 HG2 ARG A 31 7.725 3.955 10.535 1.00 61.31 H new ATOM 0 HG3 ARG A 31 7.389 2.427 9.747 1.00 61.31 H new ATOM 0 HD2 ARG A 31 8.044 5.068 8.385 1.00 64.43 H new ATOM 0 HD3 ARG A 31 9.076 3.654 8.475 1.00 64.43 H new ATOM 0 HE ARG A 31 6.835 4.086 6.644 1.00 51.55 H new ATOM 0 HH11 ARG A 31 8.877 1.697 8.251 1.00 45.14 H new ATOM 0 HH12 ARG A 31 8.591 0.458 7.025 1.00 45.14 H new ATOM 0 HH21 ARG A 31 6.471 2.489 5.075 1.00 70.43 H new ATOM 0 HH22 ARG A 31 7.234 0.904 5.233 1.00 70.43 H new ATOM 473 N ILE A 32 3.104 5.453 11.110 1.00 63.12 N ATOM 474 CA ILE A 32 1.658 5.623 11.047 1.00 70.03 C ATOM 475 C ILE A 32 1.236 6.251 9.723 1.00 14.30 C ATOM 476 O ILE A 32 1.955 7.074 9.157 1.00 11.14 O ATOM 477 CB ILE A 32 1.143 6.498 12.205 1.00 71.12 C ATOM 478 CG1 ILE A 32 1.390 5.804 13.546 1.00 73.11 C ATOM 479 CG2 ILE A 32 -0.337 6.800 12.023 1.00 70.21 C ATOM 480 CD1 ILE A 32 2.063 6.690 14.570 1.00 4.20 C ATOM 0 H ILE A 32 3.615 6.288 11.395 1.00 63.12 H new ATOM 0 HA ILE A 32 1.219 4.629 11.131 1.00 70.03 H new ATOM 0 HB ILE A 32 1.689 7.441 12.199 1.00 71.12 H new ATOM 0 HG12 ILE A 32 0.438 5.457 13.947 1.00 73.11 H new ATOM 0 HG13 ILE A 32 2.007 4.921 13.381 1.00 73.11 H new ATOM 0 HG21 ILE A 32 -0.686 7.419 12.849 1.00 70.21 H new ATOM 0 HG22 ILE A 32 -0.487 7.331 11.083 1.00 70.21 H new ATOM 0 HG23 ILE A 32 -0.899 5.866 12.006 1.00 70.21 H new ATOM 0 HD11 ILE A 32 2.207 6.132 15.495 1.00 4.20 H new ATOM 0 HD12 ILE A 32 3.031 7.016 14.189 1.00 4.20 H new ATOM 0 HD13 ILE A 32 1.437 7.561 14.765 1.00 4.20 H new ATOM 492 N ALA A 33 0.063 5.859 9.235 1.00 23.24 N ATOM 493 CA ALA A 33 -0.457 6.386 7.980 1.00 13.22 C ATOM 494 C ALA A 33 -0.713 7.886 8.079 1.00 4.40 C ATOM 495 O ALA A 33 -1.125 8.388 9.125 1.00 20.10 O ATOM 496 CB ALA A 33 -1.734 5.656 7.590 1.00 41.20 C ATOM 0 H ALA A 33 -0.545 5.178 9.690 1.00 23.24 H new ATOM 0 HA ALA A 33 0.293 6.222 7.207 1.00 13.22 H new ATOM 0 HB1 ALA A 33 -2.112 6.060 6.651 1.00 41.20 H new ATOM 0 HB2 ALA A 33 -1.523 4.593 7.470 1.00 41.20 H new ATOM 0 HB3 ALA A 33 -2.483 5.791 8.370 1.00 41.20 H new ATOM 502 N ASP A 34 -0.465 8.597 6.985 1.00 45.24 N ATOM 503 CA ASP A 34 -0.668 10.041 6.948 1.00 20.20 C ATOM 504 C ASP A 34 -2.114 10.394 7.283 1.00 4.53 C ATOM 505 O ASP A 34 -2.415 11.527 7.658 1.00 34.43 O ATOM 506 CB ASP A 34 -0.301 10.594 5.570 1.00 2.33 C ATOM 507 CG ASP A 34 -0.786 12.017 5.370 1.00 65.31 C ATOM 508 OD1 ASP A 34 -1.986 12.199 5.080 1.00 73.41 O ATOM 509 OD2 ASP A 34 0.036 12.948 5.502 1.00 1.23 O ATOM 0 H ASP A 34 -0.123 8.197 6.111 1.00 45.24 H new ATOM 0 HA ASP A 34 -0.019 10.494 7.697 1.00 20.20 H new ATOM 0 HB2 ASP A 34 0.781 10.561 5.445 1.00 2.33 H new ATOM 0 HB3 ASP A 34 -0.731 9.955 4.799 1.00 2.33 H new ATOM 514 N GLY A 35 -3.004 9.417 7.144 1.00 14.11 N ATOM 515 CA GLY A 35 -4.408 9.645 7.435 1.00 43.51 C ATOM 516 C GLY A 35 -4.771 9.282 8.861 1.00 60.21 C ATOM 517 O GLY A 35 -5.937 9.351 9.249 1.00 55.33 O ATOM 0 H GLY A 35 -2.778 8.471 6.835 1.00 14.11 H new ATOM 0 HA2 GLY A 35 -4.647 10.694 7.258 1.00 43.51 H new ATOM 0 HA3 GLY A 35 -5.018 9.059 6.748 1.00 43.51 H new ATOM 521 N TYR A 36 -3.771 8.891 9.643 1.00 1.21 N ATOM 522 CA TYR A 36 -3.992 8.511 11.033 1.00 24.13 C ATOM 523 C TYR A 36 -3.031 9.251 11.960 1.00 74.15 C ATOM 524 O TYR A 36 -2.032 9.816 11.514 1.00 55.12 O ATOM 525 CB TYR A 36 -3.820 7.001 11.204 1.00 33.51 C ATOM 526 CG TYR A 36 -4.989 6.196 10.681 1.00 24.43 C ATOM 527 CD1 TYR A 36 -6.231 6.255 11.301 1.00 22.33 C ATOM 528 CD2 TYR A 36 -4.850 5.375 9.568 1.00 14.55 C ATOM 529 CE1 TYR A 36 -7.301 5.521 10.828 1.00 71.32 C ATOM 530 CE2 TYR A 36 -5.915 4.639 9.087 1.00 15.12 C ATOM 531 CZ TYR A 36 -7.139 4.715 9.720 1.00 24.23 C ATOM 532 OH TYR A 36 -8.202 3.982 9.245 1.00 64.32 O ATOM 0 H TYR A 36 -2.800 8.829 9.338 1.00 1.21 H new ATOM 0 HA TYR A 36 -5.012 8.787 11.301 1.00 24.13 H new ATOM 0 HB2 TYR A 36 -2.913 6.686 10.688 1.00 33.51 H new ATOM 0 HB3 TYR A 36 -3.679 6.777 12.261 1.00 33.51 H new ATOM 0 HD1 TYR A 36 -6.362 6.886 12.168 1.00 22.33 H new ATOM 0 HD2 TYR A 36 -3.893 5.312 9.071 1.00 14.55 H new ATOM 0 HE1 TYR A 36 -8.259 5.578 11.323 1.00 71.32 H new ATOM 0 HE2 TYR A 36 -5.791 4.007 8.220 1.00 15.12 H new ATOM 0 HH TYR A 36 -7.868 3.209 8.743 1.00 64.32 H new ATOM 542 N TYR A 37 -3.342 9.242 13.251 1.00 5.31 N ATOM 543 CA TYR A 37 -2.508 9.914 14.242 1.00 74.44 C ATOM 544 C TYR A 37 -2.700 9.296 15.623 1.00 24.43 C ATOM 545 O TYR A 37 -3.825 9.040 16.051 1.00 60.24 O ATOM 546 CB TYR A 37 -2.838 11.407 14.288 1.00 31.45 C ATOM 547 CG TYR A 37 -4.244 11.702 14.760 1.00 71.34 C ATOM 548 CD1 TYR A 37 -4.531 11.835 16.113 1.00 64.22 C ATOM 549 CD2 TYR A 37 -5.286 11.846 13.852 1.00 12.52 C ATOM 550 CE1 TYR A 37 -5.814 12.104 16.548 1.00 21.22 C ATOM 551 CE2 TYR A 37 -6.572 12.117 14.278 1.00 31.14 C ATOM 552 CZ TYR A 37 -6.831 12.244 15.627 1.00 1.42 C ATOM 553 OH TYR A 37 -8.111 12.512 16.056 1.00 42.42 O ATOM 0 H TYR A 37 -4.164 8.778 13.636 1.00 5.31 H new ATOM 0 HA TYR A 37 -1.466 9.788 13.949 1.00 74.44 H new ATOM 0 HB2 TYR A 37 -2.130 11.907 14.949 1.00 31.45 H new ATOM 0 HB3 TYR A 37 -2.701 11.832 13.294 1.00 31.45 H new ATOM 0 HD1 TYR A 37 -3.737 11.726 16.837 1.00 64.22 H new ATOM 0 HD2 TYR A 37 -5.087 11.744 12.795 1.00 12.52 H new ATOM 0 HE1 TYR A 37 -6.020 12.204 17.603 1.00 21.22 H new ATOM 0 HE2 TYR A 37 -7.370 12.229 13.559 1.00 31.14 H new ATOM 0 HH TYR A 37 -8.653 12.816 15.298 1.00 42.42 H new ATOM 563 N MET A 38 -1.591 9.059 16.317 1.00 60.00 N ATOM 564 CA MET A 38 -1.636 8.473 17.652 1.00 65.35 C ATOM 565 C MET A 38 -1.132 9.463 18.697 1.00 34.43 C ATOM 566 O MET A 38 -0.280 10.304 18.410 1.00 32.34 O ATOM 567 CB MET A 38 -0.797 7.194 17.698 1.00 33.32 C ATOM 568 CG MET A 38 -1.184 6.175 16.638 1.00 23.13 C ATOM 569 SD MET A 38 -0.539 4.528 16.990 1.00 44.33 S ATOM 570 CE MET A 38 1.221 4.858 17.039 1.00 23.35 C ATOM 0 H MET A 38 -0.651 9.264 15.977 1.00 60.00 H new ATOM 0 HA MET A 38 -2.673 8.228 17.880 1.00 65.35 H new ATOM 0 HB2 MET A 38 0.254 7.454 17.574 1.00 33.32 H new ATOM 0 HB3 MET A 38 -0.898 6.738 18.683 1.00 33.32 H new ATOM 0 HG2 MET A 38 -2.270 6.128 16.565 1.00 23.13 H new ATOM 0 HG3 MET A 38 -0.813 6.507 15.668 1.00 23.13 H new ATOM 0 HE1 MET A 38 1.655 4.388 17.921 1.00 23.35 H new ATOM 0 HE2 MET A 38 1.692 4.453 16.143 1.00 23.35 H new ATOM 0 HE3 MET A 38 1.388 5.934 17.082 1.00 23.35 H new ATOM 580 N TYR A 39 -1.665 9.357 19.910 1.00 41.14 N ATOM 581 CA TYR A 39 -1.272 10.245 20.997 1.00 5.11 C ATOM 582 C TYR A 39 -0.105 9.657 21.786 1.00 54.12 C ATOM 583 O TYR A 39 -0.120 8.482 22.151 1.00 65.12 O ATOM 584 CB TYR A 39 -2.457 10.499 21.930 1.00 24.14 C ATOM 585 CG TYR A 39 -3.777 10.643 21.207 1.00 4.23 C ATOM 586 CD1 TYR A 39 -4.577 9.536 20.954 1.00 52.52 C ATOM 587 CD2 TYR A 39 -4.224 11.887 20.779 1.00 43.14 C ATOM 588 CE1 TYR A 39 -5.784 9.664 20.293 1.00 65.22 C ATOM 589 CE2 TYR A 39 -5.429 12.024 20.118 1.00 14.12 C ATOM 590 CZ TYR A 39 -6.205 10.910 19.877 1.00 33.43 C ATOM 591 OH TYR A 39 -7.407 11.041 19.220 1.00 71.22 O ATOM 0 H TYR A 39 -2.370 8.665 20.164 1.00 41.14 H new ATOM 0 HA TYR A 39 -0.952 11.192 20.561 1.00 5.11 H new ATOM 0 HB2 TYR A 39 -2.530 9.677 22.642 1.00 24.14 H new ATOM 0 HB3 TYR A 39 -2.267 11.405 22.506 1.00 24.14 H new ATOM 0 HD1 TYR A 39 -4.250 8.559 21.279 1.00 52.52 H new ATOM 0 HD2 TYR A 39 -3.619 12.762 20.966 1.00 43.14 H new ATOM 0 HE1 TYR A 39 -6.394 8.793 20.103 1.00 65.22 H new ATOM 0 HE2 TYR A 39 -5.762 12.998 19.792 1.00 14.12 H new ATOM 0 HH TYR A 39 -7.556 11.983 18.996 1.00 71.22 H new ATOM 601 N GLN A 40 0.902 10.484 22.045 1.00 10.41 N ATOM 602 CA GLN A 40 2.076 10.047 22.790 1.00 4.14 C ATOM 603 C GLN A 40 1.672 9.376 24.099 1.00 60.32 C ATOM 604 O GLN A 40 2.287 8.397 24.521 1.00 12.14 O ATOM 605 CB GLN A 40 2.997 11.235 23.076 1.00 13.12 C ATOM 606 CG GLN A 40 4.428 10.833 23.393 1.00 42.31 C ATOM 607 CD GLN A 40 5.381 12.012 23.383 1.00 10.41 C ATOM 608 OE1 GLN A 40 6.350 12.036 22.624 1.00 60.03 O ATOM 609 NE2 GLN A 40 5.110 13.000 24.229 1.00 61.14 N ATOM 0 H GLN A 40 0.928 11.460 21.750 1.00 10.41 H new ATOM 0 HA GLN A 40 2.611 9.320 22.180 1.00 4.14 H new ATOM 0 HB2 GLN A 40 2.998 11.899 22.212 1.00 13.12 H new ATOM 0 HB3 GLN A 40 2.594 11.803 23.914 1.00 13.12 H new ATOM 0 HG2 GLN A 40 4.459 10.354 24.372 1.00 42.31 H new ATOM 0 HG3 GLN A 40 4.763 10.093 22.666 1.00 42.31 H new ATOM 0 HE21 GLN A 40 4.296 12.939 24.841 1.00 61.14 H new ATOM 0 HE22 GLN A 40 5.716 13.820 24.267 1.00 61.14 H new ATOM 618 N ALA A 41 0.634 9.909 24.736 1.00 64.24 N ATOM 619 CA ALA A 41 0.147 9.360 25.995 1.00 1.20 C ATOM 620 C ALA A 41 -0.567 8.031 25.775 1.00 55.10 C ATOM 621 O ALA A 41 -0.571 7.164 26.649 1.00 65.44 O ATOM 622 CB ALA A 41 -0.780 10.353 26.680 1.00 53.34 C ATOM 0 H ALA A 41 0.115 10.720 24.400 1.00 64.24 H new ATOM 0 HA ALA A 41 1.006 9.178 26.640 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -1.136 9.930 27.619 1.00 53.34 H new ATOM 0 HB2 ALA A 41 -0.239 11.277 26.881 1.00 53.34 H new ATOM 0 HB3 ALA A 41 -1.630 10.564 26.031 1.00 53.34 H new ATOM 628 N LYS A 42 -1.173 7.878 24.602 1.00 34.55 N ATOM 629 CA LYS A 42 -1.892 6.654 24.266 1.00 25.03 C ATOM 630 C LYS A 42 -0.920 5.529 23.925 1.00 24.11 C ATOM 631 O LYS A 42 -1.155 4.369 24.264 1.00 31.23 O ATOM 632 CB LYS A 42 -2.837 6.900 23.088 1.00 1.33 C ATOM 633 CG LYS A 42 -4.257 7.237 23.508 1.00 11.33 C ATOM 634 CD LYS A 42 -4.333 8.602 24.171 1.00 15.43 C ATOM 635 CE LYS A 42 -5.034 8.529 25.520 1.00 65.24 C ATOM 636 NZ LYS A 42 -5.099 9.860 26.184 1.00 23.22 N ATOM 0 H LYS A 42 -1.181 8.586 23.868 1.00 34.55 H new ATOM 0 HA LYS A 42 -2.476 6.355 25.136 1.00 25.03 H new ATOM 0 HB2 LYS A 42 -2.443 7.715 22.481 1.00 1.33 H new ATOM 0 HB3 LYS A 42 -2.855 6.012 22.456 1.00 1.33 H new ATOM 0 HG2 LYS A 42 -4.910 7.219 22.635 1.00 11.33 H new ATOM 0 HG3 LYS A 42 -4.624 6.476 24.197 1.00 11.33 H new ATOM 0 HD2 LYS A 42 -3.327 9.000 24.304 1.00 15.43 H new ATOM 0 HD3 LYS A 42 -4.866 9.295 23.520 1.00 15.43 H new ATOM 0 HE2 LYS A 42 -6.044 8.141 25.384 1.00 65.24 H new ATOM 0 HE3 LYS A 42 -4.507 7.826 26.166 1.00 65.24 H new ATOM 0 HZ1 LYS A 42 -5.584 9.768 27.100 1.00 23.22 H new ATOM 0 HZ2 LYS A 42 -4.135 10.219 26.337 1.00 23.22 H new ATOM 0 HZ3 LYS A 42 -5.624 10.524 25.580 1.00 23.22 H new ATOM 650 N ILE A 43 0.172 5.880 23.254 1.00 24.33 N ATOM 651 CA ILE A 43 1.180 4.899 22.871 1.00 44.35 C ATOM 652 C ILE A 43 1.988 4.439 24.079 1.00 3.43 C ATOM 653 O ILE A 43 2.297 5.230 24.970 1.00 4.55 O ATOM 654 CB ILE A 43 2.142 5.467 21.810 1.00 63.51 C ATOM 655 CG1 ILE A 43 1.363 5.918 20.573 1.00 64.44 C ATOM 656 CG2 ILE A 43 3.189 4.428 21.434 1.00 34.13 C ATOM 657 CD1 ILE A 43 1.881 7.204 19.968 1.00 22.04 C ATOM 0 H ILE A 43 0.381 6.835 22.965 1.00 24.33 H new ATOM 0 HA ILE A 43 0.647 4.047 22.449 1.00 44.35 H new ATOM 0 HB ILE A 43 2.653 6.333 22.230 1.00 63.51 H new ATOM 0 HG12 ILE A 43 1.404 5.130 19.821 1.00 64.44 H new ATOM 0 HG13 ILE A 43 0.315 6.049 20.842 1.00 64.44 H new ATOM 0 HG21 ILE A 43 3.861 4.844 20.684 1.00 34.13 H new ATOM 0 HG22 ILE A 43 3.761 4.151 22.320 1.00 34.13 H new ATOM 0 HG23 ILE A 43 2.696 3.544 21.029 1.00 34.13 H new ATOM 0 HD11 ILE A 43 1.281 7.463 19.095 1.00 22.04 H new ATOM 0 HD12 ILE A 43 1.815 8.005 20.704 1.00 22.04 H new ATOM 0 HD13 ILE A 43 2.921 7.072 19.668 1.00 22.04 H new ATOM 669 N VAL A 44 2.329 3.155 24.102 1.00 23.24 N ATOM 670 CA VAL A 44 3.104 2.589 25.200 1.00 5.21 C ATOM 671 C VAL A 44 4.240 1.716 24.678 1.00 32.23 C ATOM 672 O VAL A 44 4.148 1.143 23.593 1.00 2.04 O ATOM 673 CB VAL A 44 2.218 1.752 26.140 1.00 35.53 C ATOM 674 CG1 VAL A 44 2.968 1.409 27.418 1.00 11.44 C ATOM 675 CG2 VAL A 44 0.925 2.491 26.453 1.00 44.25 C ATOM 0 H VAL A 44 2.081 2.487 23.373 1.00 23.24 H new ATOM 0 HA VAL A 44 3.521 3.427 25.758 1.00 5.21 H new ATOM 0 HB VAL A 44 1.964 0.820 25.635 1.00 35.53 H new ATOM 0 HG11 VAL A 44 2.325 0.817 28.070 1.00 11.44 H new ATOM 0 HG12 VAL A 44 3.862 0.836 27.173 1.00 11.44 H new ATOM 0 HG13 VAL A 44 3.255 2.328 27.929 1.00 11.44 H new ATOM 0 HG21 VAL A 44 0.311 1.884 27.119 1.00 44.25 H new ATOM 0 HG22 VAL A 44 1.156 3.440 26.937 1.00 44.25 H new ATOM 0 HG23 VAL A 44 0.380 2.679 25.528 1.00 44.25 H new ATOM 685 N GLY A 45 5.311 1.618 25.460 1.00 43.14 N ATOM 686 CA GLY A 45 6.450 0.812 25.060 1.00 50.13 C ATOM 687 C GLY A 45 7.428 0.586 26.196 1.00 41.55 C ATOM 688 O GLY A 45 8.107 1.515 26.634 1.00 3.12 O ATOM 0 H GLY A 45 5.410 2.082 26.363 1.00 43.14 H new ATOM 0 HA2 GLY A 45 6.098 -0.151 24.691 1.00 50.13 H new ATOM 0 HA3 GLY A 45 6.965 1.301 24.233 1.00 50.13 H new ATOM 692 N LYS A 46 7.500 -0.650 26.675 1.00 21.53 N ATOM 693 CA LYS A 46 8.402 -0.997 27.768 1.00 53.24 C ATOM 694 C LYS A 46 9.057 -2.352 27.523 1.00 23.11 C ATOM 695 O LYS A 46 8.395 -3.312 27.127 1.00 10.02 O ATOM 696 CB LYS A 46 7.642 -1.018 29.096 1.00 41.10 C ATOM 697 CG LYS A 46 8.468 -1.536 30.261 1.00 71.44 C ATOM 698 CD LYS A 46 7.845 -2.778 30.877 1.00 42.13 C ATOM 699 CE LYS A 46 7.726 -3.904 29.861 1.00 15.12 C ATOM 700 NZ LYS A 46 7.358 -5.195 30.506 1.00 61.24 N ATOM 0 H LYS A 46 6.944 -1.430 26.324 1.00 21.53 H new ATOM 0 HA LYS A 46 9.184 -0.239 27.816 1.00 53.24 H new ATOM 0 HB2 LYS A 46 7.299 -0.009 29.325 1.00 41.10 H new ATOM 0 HB3 LYS A 46 6.753 -1.640 28.987 1.00 41.10 H new ATOM 0 HG2 LYS A 46 9.477 -1.765 29.919 1.00 71.44 H new ATOM 0 HG3 LYS A 46 8.557 -0.758 31.019 1.00 71.44 H new ATOM 0 HD2 LYS A 46 8.450 -3.110 31.720 1.00 42.13 H new ATOM 0 HD3 LYS A 46 6.858 -2.535 31.270 1.00 42.13 H new ATOM 0 HE2 LYS A 46 6.975 -3.643 29.116 1.00 15.12 H new ATOM 0 HE3 LYS A 46 8.673 -4.018 29.333 1.00 15.12 H new ATOM 0 HZ1 LYS A 46 7.138 -5.899 29.773 1.00 61.24 H new ATOM 0 HZ2 LYS A 46 8.154 -5.534 31.084 1.00 61.24 H new ATOM 0 HZ3 LYS A 46 6.525 -5.055 31.113 1.00 61.24 H new ATOM 714 N THR A 47 10.363 -2.425 27.763 1.00 50.13 N ATOM 715 CA THR A 47 11.108 -3.663 27.569 1.00 52.51 C ATOM 716 C THR A 47 12.027 -3.942 28.752 1.00 2.02 C ATOM 717 O THR A 47 12.808 -3.083 29.160 1.00 60.22 O ATOM 718 CB THR A 47 11.949 -3.616 26.279 1.00 2.25 C ATOM 719 OG1 THR A 47 12.602 -4.874 26.075 1.00 41.33 O ATOM 720 CG2 THR A 47 12.987 -2.506 26.350 1.00 12.33 C ATOM 0 H THR A 47 10.926 -1.641 28.092 1.00 50.13 H new ATOM 0 HA THR A 47 10.374 -4.465 27.486 1.00 52.51 H new ATOM 0 HB THR A 47 11.280 -3.414 25.442 1.00 2.25 H new ATOM 0 HG1 THR A 47 13.133 -4.837 25.252 1.00 41.33 H new ATOM 0 HG21 THR A 47 13.569 -2.492 25.428 1.00 12.33 H new ATOM 0 HG22 THR A 47 12.486 -1.547 26.477 1.00 12.33 H new ATOM 0 HG23 THR A 47 13.652 -2.683 27.196 1.00 12.33 H new ATOM 728 N ASN A 48 11.930 -5.149 29.299 1.00 35.24 N ATOM 729 CA ASN A 48 12.753 -5.542 30.437 1.00 45.20 C ATOM 730 C ASN A 48 12.365 -6.930 30.936 1.00 23.15 C ATOM 731 O ASN A 48 11.271 -7.428 30.673 1.00 73.31 O ATOM 732 CB ASN A 48 12.614 -4.523 31.570 1.00 45.33 C ATOM 733 CG ASN A 48 11.192 -4.020 31.724 1.00 41.23 C ATOM 734 OD1 ASN A 48 10.238 -4.697 31.341 1.00 13.05 O ATOM 735 ND2 ASN A 48 11.045 -2.826 32.286 1.00 55.32 N ATOM 0 H ASN A 48 11.289 -5.872 28.972 1.00 35.24 H new ATOM 0 HA ASN A 48 13.792 -5.571 30.109 1.00 45.20 H new ATOM 0 HB2 ASN A 48 12.939 -4.978 32.506 1.00 45.33 H new ATOM 0 HB3 ASN A 48 13.276 -3.679 31.379 1.00 45.33 H new ATOM 0 HD21 ASN A 48 10.112 -2.435 32.415 1.00 55.32 H new ATOM 0 HD22 ASN A 48 11.865 -2.300 32.588 1.00 55.32 H new ATOM 742 N PRO A 49 13.283 -7.571 31.676 1.00 52.20 N ATOM 743 CA PRO A 49 13.059 -8.910 32.229 1.00 3.20 C ATOM 744 C PRO A 49 12.018 -8.910 33.343 1.00 22.52 C ATOM 745 O PRO A 49 11.549 -9.966 33.766 1.00 74.41 O ATOM 746 CB PRO A 49 14.433 -9.300 32.781 1.00 50.44 C ATOM 747 CG PRO A 49 15.107 -8.003 33.069 1.00 44.13 C ATOM 748 CD PRO A 49 14.609 -7.037 32.030 1.00 71.04 C ATOM 0 HA PRO A 49 12.673 -9.601 31.480 1.00 3.20 H new ATOM 0 HB2 PRO A 49 14.340 -9.907 33.682 1.00 50.44 H new ATOM 0 HB3 PRO A 49 14.998 -9.888 32.058 1.00 50.44 H new ATOM 0 HG2 PRO A 49 14.867 -7.653 34.073 1.00 44.13 H new ATOM 0 HG3 PRO A 49 16.191 -8.107 33.018 1.00 44.13 H new ATOM 0 HD2 PRO A 49 14.542 -6.023 32.424 1.00 71.04 H new ATOM 0 HD3 PRO A 49 15.271 -7.000 31.165 1.00 71.04 H new ATOM 756 N ALA A 50 11.662 -7.720 33.814 1.00 34.02 N ATOM 757 CA ALA A 50 10.674 -7.584 34.878 1.00 51.25 C ATOM 758 C ALA A 50 10.433 -6.117 35.219 1.00 62.24 C ATOM 759 O ALA A 50 9.289 -5.674 35.325 1.00 24.54 O ATOM 760 CB ALA A 50 11.121 -8.349 36.114 1.00 1.23 C ATOM 0 H ALA A 50 12.043 -6.836 33.476 1.00 34.02 H new ATOM 0 HA ALA A 50 9.734 -8.006 34.523 1.00 51.25 H new ATOM 0 HB1 ALA A 50 10.374 -8.239 36.900 1.00 1.23 H new ATOM 0 HB2 ALA A 50 11.235 -9.405 35.867 1.00 1.23 H new ATOM 0 HB3 ALA A 50 12.075 -7.953 36.462 1.00 1.23 H new ATOM 766 N ASP A 51 11.517 -5.369 35.389 1.00 4.32 N ATOM 767 CA ASP A 51 11.424 -3.951 35.718 1.00 31.11 C ATOM 768 C ASP A 51 12.810 -3.347 35.917 1.00 44.32 C ATOM 769 O ASP A 51 13.014 -2.508 36.796 1.00 73.12 O ATOM 770 CB ASP A 51 10.582 -3.753 36.980 1.00 50.14 C ATOM 771 CG ASP A 51 9.536 -2.668 36.813 1.00 71.31 C ATOM 772 OD1 ASP A 51 9.854 -1.625 36.204 1.00 72.45 O ATOM 773 OD2 ASP A 51 8.399 -2.863 37.291 1.00 11.30 O ATOM 0 H ASP A 51 12.471 -5.721 35.305 1.00 4.32 H new ATOM 0 HA ASP A 51 10.942 -3.441 34.884 1.00 31.11 H new ATOM 0 HB2 ASP A 51 10.090 -4.691 37.236 1.00 50.14 H new ATOM 0 HB3 ASP A 51 11.236 -3.498 37.814 1.00 50.14 H new ATOM 778 N LEU A 52 13.761 -3.778 35.096 1.00 64.51 N ATOM 779 CA LEU A 52 15.130 -3.281 35.182 1.00 40.24 C ATOM 780 C LEU A 52 15.302 -2.014 34.350 1.00 12.42 C ATOM 781 O LEU A 52 15.961 -1.064 34.775 1.00 11.23 O ATOM 782 CB LEU A 52 16.114 -4.352 34.708 1.00 32.32 C ATOM 783 CG LEU A 52 16.515 -5.401 35.746 1.00 35.21 C ATOM 784 CD1 LEU A 52 17.477 -4.806 36.762 1.00 22.30 C ATOM 785 CD2 LEU A 52 15.282 -5.962 36.441 1.00 42.10 C ATOM 0 H LEU A 52 13.609 -4.471 34.363 1.00 64.51 H new ATOM 0 HA LEU A 52 15.338 -3.041 36.225 1.00 40.24 H new ATOM 0 HB2 LEU A 52 15.677 -4.866 33.852 1.00 32.32 H new ATOM 0 HB3 LEU A 52 17.018 -3.856 34.354 1.00 32.32 H new ATOM 0 HG LEU A 52 17.021 -6.218 35.232 1.00 35.21 H new ATOM 0 HD11 LEU A 52 17.751 -5.567 37.493 1.00 22.30 H new ATOM 0 HD12 LEU A 52 18.373 -4.453 36.251 1.00 22.30 H new ATOM 0 HD13 LEU A 52 16.997 -3.970 37.271 1.00 22.30 H new ATOM 0 HD21 LEU A 52 15.586 -6.707 37.176 1.00 42.10 H new ATOM 0 HD22 LEU A 52 14.748 -5.155 36.942 1.00 42.10 H new ATOM 0 HD23 LEU A 52 14.628 -6.427 35.703 1.00 42.10 H new ATOM 797 N LEU A 53 14.703 -2.005 33.164 1.00 2.23 N ATOM 798 CA LEU A 53 14.788 -0.853 32.273 1.00 14.12 C ATOM 799 C LEU A 53 14.378 0.426 32.996 1.00 5.24 C ATOM 800 O LEU A 53 13.508 0.409 33.866 1.00 63.31 O ATOM 801 CB LEU A 53 13.898 -1.066 31.047 1.00 44.41 C ATOM 802 CG LEU A 53 13.880 0.072 30.026 1.00 50.24 C ATOM 803 CD1 LEU A 53 14.789 -0.251 28.850 1.00 74.23 C ATOM 804 CD2 LEU A 53 12.460 0.337 29.547 1.00 33.15 C ATOM 0 H LEU A 53 14.153 -2.782 32.797 1.00 2.23 H new ATOM 0 HA LEU A 53 15.824 -0.750 31.950 1.00 14.12 H new ATOM 0 HB2 LEU A 53 14.221 -1.976 30.542 1.00 44.41 H new ATOM 0 HB3 LEU A 53 12.877 -1.237 31.389 1.00 44.41 H new ATOM 0 HG LEU A 53 14.253 0.974 30.510 1.00 50.24 H new ATOM 0 HD11 LEU A 53 14.763 0.570 28.134 1.00 74.23 H new ATOM 0 HD12 LEU A 53 15.810 -0.390 29.206 1.00 74.23 H new ATOM 0 HD13 LEU A 53 14.446 -1.165 28.366 1.00 74.23 H new ATOM 0 HD21 LEU A 53 12.467 1.150 28.821 1.00 33.15 H new ATOM 0 HD22 LEU A 53 12.060 -0.563 29.080 1.00 33.15 H new ATOM 0 HD23 LEU A 53 11.835 0.614 30.396 1.00 33.15 H new ATOM 816 N GLY A 54 15.012 1.536 32.629 1.00 15.30 N ATOM 817 CA GLY A 54 14.698 2.809 33.251 1.00 3.42 C ATOM 818 C GLY A 54 13.336 3.334 32.843 1.00 0.45 C ATOM 819 O GLY A 54 12.312 2.888 33.360 1.00 63.40 O ATOM 0 H GLY A 54 15.737 1.576 31.913 1.00 15.30 H new ATOM 0 HA2 GLY A 54 14.731 2.698 34.335 1.00 3.42 H new ATOM 0 HA3 GLY A 54 15.461 3.539 32.982 1.00 3.42 H new ATOM 823 N GLN A 55 13.324 4.286 31.916 1.00 53.22 N ATOM 824 CA GLN A 55 12.076 4.874 31.441 1.00 24.25 C ATOM 825 C GLN A 55 12.113 5.084 29.931 1.00 22.23 C ATOM 826 O GLN A 55 13.177 5.167 29.317 1.00 2.44 O ATOM 827 CB GLN A 55 11.815 6.205 32.147 1.00 13.52 C ATOM 828 CG GLN A 55 13.060 7.062 32.312 1.00 31.20 C ATOM 829 CD GLN A 55 12.750 8.546 32.328 1.00 31.41 C ATOM 830 OE1 GLN A 55 11.602 8.954 32.151 1.00 73.45 O ATOM 831 NE2 GLN A 55 13.775 9.363 32.542 1.00 73.53 N ATOM 0 H GLN A 55 14.163 4.667 31.479 1.00 53.22 H new ATOM 0 HA GLN A 55 11.266 4.183 31.673 1.00 24.25 H new ATOM 0 HB2 GLN A 55 11.070 6.766 31.582 1.00 13.52 H new ATOM 0 HB3 GLN A 55 11.387 6.007 33.130 1.00 13.52 H new ATOM 0 HG2 GLN A 55 13.563 6.790 33.240 1.00 31.20 H new ATOM 0 HG3 GLN A 55 13.754 6.848 31.499 1.00 31.20 H new ATOM 0 HE21 GLN A 55 14.710 8.982 32.684 1.00 73.53 H new ATOM 0 HE22 GLN A 55 13.627 10.372 32.564 1.00 73.53 H new ATOM 840 N PRO A 56 10.924 5.171 29.316 1.00 24.24 N ATOM 841 CA PRO A 56 10.794 5.372 27.870 1.00 1.32 C ATOM 842 C PRO A 56 11.230 6.768 27.438 1.00 41.12 C ATOM 843 O PRO A 56 11.134 7.725 28.207 1.00 65.44 O ATOM 844 CB PRO A 56 9.297 5.178 27.618 1.00 32.15 C ATOM 845 CG PRO A 56 8.648 5.509 28.918 1.00 40.51 C ATOM 846 CD PRO A 56 9.616 5.080 29.986 1.00 72.25 C ATOM 0 HA PRO A 56 11.427 4.688 27.305 1.00 1.32 H new ATOM 0 HB2 PRO A 56 8.942 5.831 26.821 1.00 32.15 H new ATOM 0 HB3 PRO A 56 9.076 4.155 27.314 1.00 32.15 H new ATOM 0 HG2 PRO A 56 8.437 6.576 28.988 1.00 40.51 H new ATOM 0 HG3 PRO A 56 7.696 4.989 29.022 1.00 40.51 H new ATOM 0 HD2 PRO A 56 9.565 5.730 30.859 1.00 72.25 H new ATOM 0 HD3 PRO A 56 9.411 4.067 30.331 1.00 72.25 H new ATOM 854 N SER A 57 11.709 6.877 26.203 1.00 53.44 N ATOM 855 CA SER A 57 12.163 8.156 25.669 1.00 13.31 C ATOM 856 C SER A 57 11.534 8.431 24.307 1.00 75.34 C ATOM 857 O SER A 57 12.132 8.154 23.267 1.00 52.24 O ATOM 858 CB SER A 57 13.688 8.171 25.552 1.00 50.45 C ATOM 859 OG SER A 57 14.275 8.883 26.627 1.00 44.32 O ATOM 0 H SER A 57 11.793 6.095 25.553 1.00 53.44 H new ATOM 0 HA SER A 57 11.851 8.941 26.358 1.00 13.31 H new ATOM 0 HB2 SER A 57 14.065 7.148 25.540 1.00 50.45 H new ATOM 0 HB3 SER A 57 13.979 8.629 24.607 1.00 50.45 H new ATOM 0 HG SER A 57 15.250 8.876 26.530 1.00 44.32 H new ATOM 865 N PHE A 58 10.322 8.977 24.321 1.00 60.35 N ATOM 866 CA PHE A 58 9.610 9.288 23.087 1.00 54.22 C ATOM 867 C PHE A 58 10.482 10.119 22.150 1.00 14.43 C ATOM 868 O PHE A 58 11.319 10.904 22.597 1.00 73.30 O ATOM 869 CB PHE A 58 8.314 10.040 23.397 1.00 11.42 C ATOM 870 CG PHE A 58 7.488 9.394 24.473 1.00 64.03 C ATOM 871 CD1 PHE A 58 7.380 8.015 24.547 1.00 64.33 C ATOM 872 CD2 PHE A 58 6.820 10.166 25.409 1.00 32.23 C ATOM 873 CE1 PHE A 58 6.622 7.417 25.535 1.00 32.54 C ATOM 874 CE2 PHE A 58 6.060 9.573 26.400 1.00 3.34 C ATOM 875 CZ PHE A 58 5.960 8.197 26.463 1.00 41.12 C ATOM 0 H PHE A 58 9.813 9.213 25.173 1.00 60.35 H new ATOM 0 HA PHE A 58 9.367 8.349 22.590 1.00 54.22 H new ATOM 0 HB2 PHE A 58 8.558 11.058 23.700 1.00 11.42 H new ATOM 0 HB3 PHE A 58 7.719 10.112 22.487 1.00 11.42 H new ATOM 0 HD1 PHE A 58 7.895 7.400 23.824 1.00 64.33 H new ATOM 0 HD2 PHE A 58 6.894 11.243 25.364 1.00 32.23 H new ATOM 0 HE1 PHE A 58 6.547 6.341 25.582 1.00 32.54 H new ATOM 0 HE2 PHE A 58 5.545 10.186 27.125 1.00 3.34 H new ATOM 0 HZ PHE A 58 5.366 7.732 27.236 1.00 41.12 H new ATOM 885 N SER A 59 10.279 9.941 20.849 1.00 61.12 N ATOM 886 CA SER A 59 11.049 10.671 19.848 1.00 20.53 C ATOM 887 C SER A 59 10.539 12.101 19.707 1.00 11.55 C ATOM 888 O SER A 59 11.099 12.902 18.958 1.00 12.34 O ATOM 889 CB SER A 59 10.977 9.956 18.497 1.00 35.04 C ATOM 890 OG SER A 59 11.704 10.662 17.507 1.00 14.32 O ATOM 0 H SER A 59 9.588 9.298 20.463 1.00 61.12 H new ATOM 0 HA SER A 59 12.087 10.705 20.178 1.00 20.53 H new ATOM 0 HB2 SER A 59 11.376 8.946 18.595 1.00 35.04 H new ATOM 0 HB3 SER A 59 9.936 9.859 18.188 1.00 35.04 H new ATOM 0 HG SER A 59 11.811 11.596 17.784 1.00 14.32 H new ATOM 896 N LYS A 60 9.472 12.416 20.434 1.00 54.45 N ATOM 897 CA LYS A 60 8.884 13.750 20.393 1.00 43.34 C ATOM 898 C LYS A 60 8.342 14.064 19.002 1.00 71.42 C ATOM 899 O LYS A 60 9.105 14.291 18.064 1.00 21.10 O ATOM 900 CB LYS A 60 9.923 14.800 20.795 1.00 72.11 C ATOM 901 CG LYS A 60 9.555 15.568 22.053 1.00 45.24 C ATOM 902 CD LYS A 60 8.439 16.566 21.791 1.00 64.52 C ATOM 903 CE LYS A 60 7.442 16.599 22.938 1.00 15.22 C ATOM 904 NZ LYS A 60 7.974 17.341 24.115 1.00 53.25 N ATOM 0 H LYS A 60 8.997 11.765 21.059 1.00 54.45 H new ATOM 0 HA LYS A 60 8.056 13.776 21.101 1.00 43.34 H new ATOM 0 HB2 LYS A 60 10.884 14.309 20.947 1.00 72.11 H new ATOM 0 HB3 LYS A 60 10.052 15.505 19.974 1.00 72.11 H new ATOM 0 HG2 LYS A 60 9.244 14.869 22.829 1.00 45.24 H new ATOM 0 HG3 LYS A 60 10.433 16.093 22.430 1.00 45.24 H new ATOM 0 HD2 LYS A 60 8.864 17.560 21.648 1.00 64.52 H new ATOM 0 HD3 LYS A 60 7.924 16.303 20.867 1.00 64.52 H new ATOM 0 HE2 LYS A 60 6.517 17.067 22.602 1.00 15.22 H new ATOM 0 HE3 LYS A 60 7.194 15.579 23.233 1.00 15.22 H new ATOM 0 HZ1 LYS A 60 7.264 17.341 24.875 1.00 53.25 H new ATOM 0 HZ2 LYS A 60 8.843 16.880 24.452 1.00 53.25 H new ATOM 0 HZ3 LYS A 60 8.187 18.321 23.840 1.00 53.25 H new ATOM 918 N GLY A 61 7.018 14.075 18.876 1.00 2.12 N ATOM 919 CA GLY A 61 6.397 14.363 17.597 1.00 51.13 C ATOM 920 C GLY A 61 5.964 15.811 17.475 1.00 62.30 C ATOM 921 O GLY A 61 6.792 16.696 17.262 1.00 53.11 O ATOM 0 H GLY A 61 6.365 13.890 19.637 1.00 2.12 H new ATOM 0 HA2 GLY A 61 7.097 14.128 16.796 1.00 51.13 H new ATOM 0 HA3 GLY A 61 5.530 13.715 17.463 1.00 51.13 H new ATOM 925 N GLU A 62 4.664 16.051 17.609 1.00 13.30 N ATOM 926 CA GLU A 62 4.123 17.402 17.510 1.00 43.11 C ATOM 927 C GLU A 62 2.950 17.590 18.468 1.00 42.44 C ATOM 928 O GLU A 62 2.108 16.706 18.614 1.00 32.52 O ATOM 929 CB GLU A 62 3.677 17.693 16.076 1.00 75.44 C ATOM 930 CG GLU A 62 4.353 18.907 15.462 1.00 75.03 C ATOM 931 CD GLU A 62 4.286 20.128 16.359 1.00 75.32 C ATOM 932 OE1 GLU A 62 3.185 20.700 16.502 1.00 70.21 O ATOM 933 OE2 GLU A 62 5.335 20.510 16.918 1.00 53.40 O ATOM 0 H GLU A 62 3.966 15.329 17.786 1.00 13.30 H new ATOM 0 HA GLU A 62 4.911 18.103 17.786 1.00 43.11 H new ATOM 0 HB2 GLU A 62 3.884 16.821 15.456 1.00 75.44 H new ATOM 0 HB3 GLU A 62 2.598 17.844 16.064 1.00 75.44 H new ATOM 0 HG2 GLU A 62 5.396 18.671 15.254 1.00 75.03 H new ATOM 0 HG3 GLU A 62 3.881 19.136 14.506 1.00 75.03 H new ATOM 940 N GLU A 63 2.904 18.749 19.117 1.00 2.41 N ATOM 941 CA GLU A 63 1.836 19.053 20.062 1.00 72.02 C ATOM 942 C GLU A 63 0.571 19.493 19.330 1.00 61.11 C ATOM 943 O GLU A 63 0.620 20.334 18.432 1.00 10.23 O ATOM 944 CB GLU A 63 2.281 20.146 21.036 1.00 41.15 C ATOM 945 CG GLU A 63 2.756 21.416 20.349 1.00 24.33 C ATOM 946 CD GLU A 63 1.975 22.641 20.783 1.00 23.21 C ATOM 947 OE1 GLU A 63 0.730 22.610 20.702 1.00 54.41 O ATOM 948 OE2 GLU A 63 2.611 23.630 21.204 1.00 14.31 O ATOM 0 H GLU A 63 3.593 19.492 19.006 1.00 2.41 H new ATOM 0 HA GLU A 63 1.614 18.145 20.623 1.00 72.02 H new ATOM 0 HB2 GLU A 63 1.451 20.390 21.699 1.00 41.15 H new ATOM 0 HB3 GLU A 63 3.085 19.758 21.661 1.00 41.15 H new ATOM 0 HG2 GLU A 63 3.813 21.568 20.566 1.00 24.33 H new ATOM 0 HG3 GLU A 63 2.666 21.296 19.269 1.00 24.33 H new ATOM 955 N LYS A 64 -0.561 18.917 19.719 1.00 13.35 N ATOM 956 CA LYS A 64 -1.840 19.249 19.103 1.00 73.44 C ATOM 957 C LYS A 64 -2.948 19.317 20.149 1.00 22.52 C ATOM 958 O LYS A 64 -2.922 18.588 21.141 1.00 40.14 O ATOM 959 CB LYS A 64 -2.197 18.214 18.033 1.00 33.22 C ATOM 960 CG LYS A 64 -3.433 18.574 17.227 1.00 50.12 C ATOM 961 CD LYS A 64 -4.669 17.863 17.752 1.00 3.04 C ATOM 962 CE LYS A 64 -5.001 16.635 16.920 1.00 75.44 C ATOM 963 NZ LYS A 64 -5.644 16.999 15.626 1.00 30.54 N ATOM 0 H LYS A 64 -0.619 18.217 20.459 1.00 13.35 H new ATOM 0 HA LYS A 64 -1.746 20.229 18.636 1.00 73.44 H new ATOM 0 HB2 LYS A 64 -1.352 18.099 17.354 1.00 33.22 H new ATOM 0 HB3 LYS A 64 -2.355 17.248 18.512 1.00 33.22 H new ATOM 0 HG2 LYS A 64 -3.590 19.652 17.262 1.00 50.12 H new ATOM 0 HG3 LYS A 64 -3.276 18.309 16.181 1.00 50.12 H new ATOM 0 HD2 LYS A 64 -4.508 17.568 18.789 1.00 3.04 H new ATOM 0 HD3 LYS A 64 -5.516 18.549 17.744 1.00 3.04 H new ATOM 0 HE2 LYS A 64 -4.089 16.070 16.726 1.00 75.44 H new ATOM 0 HE3 LYS A 64 -5.666 15.982 17.485 1.00 75.44 H new ATOM 0 HZ1 LYS A 64 -5.855 16.134 15.088 1.00 30.54 H new ATOM 0 HZ2 LYS A 64 -6.527 17.516 15.811 1.00 30.54 H new ATOM 0 HZ3 LYS A 64 -4.999 17.601 15.075 1.00 30.54 H new ATOM 977 N GLU A 65 -3.919 20.195 19.920 1.00 33.43 N ATOM 978 CA GLU A 65 -5.036 20.356 20.844 1.00 22.33 C ATOM 979 C GLU A 65 -6.348 19.928 20.192 1.00 4.43 C ATOM 980 O GLU A 65 -6.687 20.384 19.100 1.00 34.40 O ATOM 981 CB GLU A 65 -5.135 21.810 21.311 1.00 71.34 C ATOM 982 CG GLU A 65 -3.789 22.444 21.617 1.00 22.11 C ATOM 983 CD GLU A 65 -3.917 23.863 22.135 1.00 50.54 C ATOM 984 OE1 GLU A 65 -5.061 24.351 22.250 1.00 31.04 O ATOM 985 OE2 GLU A 65 -2.874 24.487 22.423 1.00 33.35 O ATOM 0 H GLU A 65 -3.955 20.805 19.104 1.00 33.43 H new ATOM 0 HA GLU A 65 -4.855 19.716 21.708 1.00 22.33 H new ATOM 0 HB2 GLU A 65 -5.637 22.397 20.541 1.00 71.34 H new ATOM 0 HB3 GLU A 65 -5.759 21.854 22.203 1.00 71.34 H new ATOM 0 HG2 GLU A 65 -3.265 21.837 22.356 1.00 22.11 H new ATOM 0 HG3 GLU A 65 -3.178 22.444 20.714 1.00 22.11 H new ATOM 992 N ASP A 66 -7.080 19.051 20.870 1.00 43.03 N ATOM 993 CA ASP A 66 -8.354 18.562 20.358 1.00 75.23 C ATOM 994 C ASP A 66 -9.316 18.252 21.501 1.00 72.14 C ATOM 995 O ASP A 66 -9.069 18.620 22.648 1.00 13.05 O ATOM 996 CB ASP A 66 -8.139 17.312 19.503 1.00 72.03 C ATOM 997 CG ASP A 66 -9.027 17.291 18.274 1.00 44.33 C ATOM 998 OD1 ASP A 66 -8.786 18.102 17.354 1.00 15.04 O ATOM 999 OD2 ASP A 66 -9.961 16.464 18.231 1.00 63.12 O ATOM 0 H ASP A 66 -6.813 18.664 21.775 1.00 43.03 H new ATOM 0 HA ASP A 66 -8.793 19.345 19.739 1.00 75.23 H new ATOM 0 HB2 ASP A 66 -7.095 17.262 19.194 1.00 72.03 H new ATOM 0 HB3 ASP A 66 -8.336 16.425 20.105 1.00 72.03 H new ATOM 1004 N GLU A 67 -10.413 17.574 21.177 1.00 31.01 N ATOM 1005 CA GLU A 67 -11.412 17.217 22.177 1.00 34.02 C ATOM 1006 C GLU A 67 -11.379 15.720 22.469 1.00 31.52 C ATOM 1007 O GLU A 67 -12.067 15.236 23.368 1.00 32.51 O ATOM 1008 CB GLU A 67 -12.809 17.624 21.703 1.00 1.30 C ATOM 1009 CG GLU A 67 -13.101 17.235 20.264 1.00 63.33 C ATOM 1010 CD GLU A 67 -14.479 17.673 19.809 1.00 74.52 C ATOM 1011 OE1 GLU A 67 -15.477 17.163 20.361 1.00 4.44 O ATOM 1012 OE2 GLU A 67 -14.561 18.525 18.900 1.00 45.13 O ATOM 0 H GLU A 67 -10.632 17.261 20.231 1.00 31.01 H new ATOM 0 HA GLU A 67 -11.177 17.754 23.096 1.00 34.02 H new ATOM 0 HB2 GLU A 67 -13.553 17.163 22.353 1.00 1.30 H new ATOM 0 HB3 GLU A 67 -12.919 18.703 21.808 1.00 1.30 H new ATOM 0 HG2 GLU A 67 -12.349 17.679 19.612 1.00 63.33 H new ATOM 0 HG3 GLU A 67 -13.015 16.153 20.159 1.00 63.33 H new ATOM 1019 N PHE A 68 -10.574 14.991 21.703 1.00 53.04 N ATOM 1020 CA PHE A 68 -10.452 13.548 21.877 1.00 3.40 C ATOM 1021 C PHE A 68 -9.382 13.215 22.913 1.00 61.12 C ATOM 1022 O PHE A 68 -9.128 12.046 23.206 1.00 54.23 O ATOM 1023 CB PHE A 68 -10.113 12.879 20.544 1.00 42.15 C ATOM 1024 CG PHE A 68 -11.288 12.762 19.616 1.00 72.31 C ATOM 1025 CD1 PHE A 68 -11.971 13.891 19.195 1.00 41.51 C ATOM 1026 CD2 PHE A 68 -11.711 11.521 19.165 1.00 2.44 C ATOM 1027 CE1 PHE A 68 -13.053 13.787 18.341 1.00 2.00 C ATOM 1028 CE2 PHE A 68 -12.792 11.411 18.311 1.00 24.22 C ATOM 1029 CZ PHE A 68 -13.464 12.545 17.899 1.00 32.25 C ATOM 0 H PHE A 68 -9.996 15.376 20.956 1.00 53.04 H new ATOM 0 HA PHE A 68 -11.409 13.167 22.233 1.00 3.40 H new ATOM 0 HB2 PHE A 68 -9.326 13.449 20.050 1.00 42.15 H new ATOM 0 HB3 PHE A 68 -9.713 11.884 20.738 1.00 42.15 H new ATOM 0 HD1 PHE A 68 -11.654 14.865 19.538 1.00 41.51 H new ATOM 0 HD2 PHE A 68 -11.190 10.631 19.485 1.00 2.44 H new ATOM 0 HE1 PHE A 68 -13.576 14.676 18.020 1.00 2.00 H new ATOM 0 HE2 PHE A 68 -13.111 10.439 17.966 1.00 24.22 H new ATOM 0 HZ PHE A 68 -14.309 12.461 17.232 1.00 32.25 H new ATOM 1039 N PHE A 69 -8.757 14.250 23.463 1.00 1.25 N ATOM 1040 CA PHE A 69 -7.713 14.068 24.466 1.00 51.45 C ATOM 1041 C PHE A 69 -7.259 15.412 25.028 1.00 50.21 C ATOM 1042 O PHE A 69 -6.925 15.523 26.207 1.00 52.32 O ATOM 1043 CB PHE A 69 -6.520 13.326 23.861 1.00 45.45 C ATOM 1044 CG PHE A 69 -5.741 14.148 22.873 1.00 21.12 C ATOM 1045 CD1 PHE A 69 -6.342 14.619 21.717 1.00 11.44 C ATOM 1046 CD2 PHE A 69 -4.407 14.448 23.101 1.00 55.13 C ATOM 1047 CE1 PHE A 69 -5.629 15.376 20.807 1.00 65.02 C ATOM 1048 CE2 PHE A 69 -3.689 15.204 22.194 1.00 11.51 C ATOM 1049 CZ PHE A 69 -4.300 15.668 21.045 1.00 21.12 C ATOM 0 H PHE A 69 -8.955 15.224 23.232 1.00 1.25 H new ATOM 0 HA PHE A 69 -8.126 13.474 25.281 1.00 51.45 H new ATOM 0 HB2 PHE A 69 -5.854 13.010 24.664 1.00 45.45 H new ATOM 0 HB3 PHE A 69 -6.877 12.422 23.368 1.00 45.45 H new ATOM 0 HD1 PHE A 69 -7.380 14.392 21.525 1.00 11.44 H new ATOM 0 HD2 PHE A 69 -3.924 14.087 23.997 1.00 55.13 H new ATOM 0 HE1 PHE A 69 -6.110 15.739 19.911 1.00 65.02 H new ATOM 0 HE2 PHE A 69 -2.650 15.432 22.383 1.00 11.51 H new ATOM 0 HZ PHE A 69 -3.740 16.258 20.334 1.00 21.12 H new ATOM 1059 N GLY A 70 -7.249 16.432 24.174 1.00 30.42 N ATOM 1060 CA GLY A 70 -6.834 17.754 24.603 1.00 1.30 C ATOM 1061 C GLY A 70 -5.517 18.178 23.984 1.00 64.31 C ATOM 1062 O GLY A 70 -5.204 17.800 22.854 1.00 13.44 O ATOM 0 H GLY A 70 -7.521 16.365 23.193 1.00 30.42 H new ATOM 0 HA2 GLY A 70 -7.606 18.477 24.339 1.00 1.30 H new ATOM 0 HA3 GLY A 70 -6.743 17.768 25.689 1.00 1.30 H new ATOM 1066 N ARG A 71 -4.743 18.965 24.724 1.00 42.02 N ATOM 1067 CA ARG A 71 -3.453 19.442 24.239 1.00 12.44 C ATOM 1068 C ARG A 71 -2.329 18.505 24.671 1.00 13.12 C ATOM 1069 O ARG A 71 -1.892 18.534 25.821 1.00 11.22 O ATOM 1070 CB ARG A 71 -3.181 20.856 24.758 1.00 21.52 C ATOM 1071 CG ARG A 71 -4.397 21.766 24.713 1.00 32.12 C ATOM 1072 CD ARG A 71 -5.027 21.923 26.089 1.00 63.05 C ATOM 1073 NE ARG A 71 -6.485 21.866 26.033 1.00 60.22 N ATOM 1074 CZ ARG A 71 -7.250 21.588 27.082 1.00 12.14 C ATOM 1075 NH1 ARG A 71 -6.699 21.344 28.263 1.00 24.21 N ATOM 1076 NH2 ARG A 71 -8.570 21.555 26.952 1.00 33.33 N ATOM 0 H ARG A 71 -4.986 19.286 25.661 1.00 42.02 H new ATOM 0 HA ARG A 71 -3.487 19.462 23.150 1.00 12.44 H new ATOM 0 HB2 ARG A 71 -2.822 20.794 25.785 1.00 21.52 H new ATOM 0 HB3 ARG A 71 -2.381 21.303 24.167 1.00 21.52 H new ATOM 0 HG2 ARG A 71 -4.106 22.745 24.331 1.00 32.12 H new ATOM 0 HG3 ARG A 71 -5.132 21.358 24.019 1.00 32.12 H new ATOM 0 HD2 ARG A 71 -4.659 21.137 26.748 1.00 63.05 H new ATOM 0 HD3 ARG A 71 -4.718 22.874 26.523 1.00 63.05 H new ATOM 0 HE ARG A 71 -6.941 22.050 25.139 1.00 60.22 H new ATOM 0 HH11 ARG A 71 -5.685 21.370 28.368 1.00 24.21 H new ATOM 0 HH12 ARG A 71 -7.289 21.131 29.067 1.00 24.21 H new ATOM 0 HH21 ARG A 71 -8.998 21.743 26.046 1.00 33.33 H new ATOM 0 HH22 ARG A 71 -9.157 21.341 27.759 1.00 33.33 H new ATOM 1090 N GLN A 72 -1.868 17.675 23.741 1.00 3.23 N ATOM 1091 CA GLN A 72 -0.796 16.729 24.027 1.00 61.32 C ATOM 1092 C GLN A 72 0.014 16.428 22.770 1.00 40.10 C ATOM 1093 O GLN A 72 -0.385 16.783 21.661 1.00 54.55 O ATOM 1094 CB GLN A 72 -1.371 15.432 24.600 1.00 50.25 C ATOM 1095 CG GLN A 72 -0.525 14.829 25.709 1.00 64.12 C ATOM 1096 CD GLN A 72 -1.352 14.388 26.900 1.00 61.41 C ATOM 1097 OE1 GLN A 72 -1.572 13.194 27.110 1.00 42.41 O ATOM 1098 NE2 GLN A 72 -1.816 15.350 27.688 1.00 2.32 N ATOM 0 H GLN A 72 -2.220 17.638 22.784 1.00 3.23 H new ATOM 0 HA GLN A 72 -0.133 17.182 24.765 1.00 61.32 H new ATOM 0 HB2 GLN A 72 -2.373 15.627 24.984 1.00 50.25 H new ATOM 0 HB3 GLN A 72 -1.474 14.703 23.796 1.00 50.25 H new ATOM 0 HG2 GLN A 72 0.025 13.974 25.317 1.00 64.12 H new ATOM 0 HG3 GLN A 72 0.214 15.561 26.036 1.00 64.12 H new ATOM 0 HE21 GLN A 72 -1.610 16.326 27.477 1.00 2.32 H new ATOM 0 HE22 GLN A 72 -2.379 15.113 28.505 1.00 2.32 H new ATOM 1107 N THR A 73 1.156 15.771 22.950 1.00 34.05 N ATOM 1108 CA THR A 73 2.023 15.424 21.832 1.00 72.22 C ATOM 1109 C THR A 73 1.505 14.194 21.096 1.00 73.44 C ATOM 1110 O THR A 73 1.122 13.201 21.716 1.00 5.52 O ATOM 1111 CB THR A 73 3.466 15.157 22.301 1.00 14.50 C ATOM 1112 OG1 THR A 73 3.647 15.652 23.633 1.00 73.52 O ATOM 1113 CG2 THR A 73 4.469 15.819 21.368 1.00 12.24 C ATOM 0 H THR A 73 1.502 15.469 23.861 1.00 34.05 H new ATOM 0 HA THR A 73 2.021 16.278 21.154 1.00 72.22 H new ATOM 0 HB THR A 73 3.636 14.080 22.287 1.00 14.50 H new ATOM 0 HG1 THR A 73 4.566 15.477 23.925 1.00 73.52 H new ATOM 0 HG21 THR A 73 5.481 15.617 21.719 1.00 12.24 H new ATOM 0 HG22 THR A 73 4.348 15.420 20.361 1.00 12.24 H new ATOM 0 HG23 THR A 73 4.298 16.895 21.355 1.00 12.24 H new ATOM 1121 N VAL A 74 1.495 14.264 19.768 1.00 0.42 N ATOM 1122 CA VAL A 74 1.025 13.155 18.947 1.00 42.11 C ATOM 1123 C VAL A 74 1.909 12.968 17.719 1.00 61.30 C ATOM 1124 O VAL A 74 2.787 13.785 17.443 1.00 44.13 O ATOM 1125 CB VAL A 74 -0.430 13.372 18.490 1.00 22.44 C ATOM 1126 CG1 VAL A 74 -1.342 13.573 19.691 1.00 61.11 C ATOM 1127 CG2 VAL A 74 -0.519 14.555 17.539 1.00 64.14 C ATOM 0 H VAL A 74 1.807 15.078 19.238 1.00 0.42 H new ATOM 0 HA VAL A 74 1.074 12.259 19.566 1.00 42.11 H new ATOM 0 HB VAL A 74 -0.762 12.481 17.957 1.00 22.44 H new ATOM 0 HG11 VAL A 74 -2.366 13.725 19.349 1.00 61.11 H new ATOM 0 HG12 VAL A 74 -1.300 12.692 20.331 1.00 61.11 H new ATOM 0 HG13 VAL A 74 -1.014 14.447 20.254 1.00 61.11 H new ATOM 0 HG21 VAL A 74 -1.554 14.693 17.226 1.00 64.14 H new ATOM 0 HG22 VAL A 74 -0.169 15.455 18.044 1.00 64.14 H new ATOM 0 HG23 VAL A 74 0.102 14.366 16.664 1.00 64.14 H new ATOM 1137 N TYR A 75 1.671 11.887 16.985 1.00 73.40 N ATOM 1138 CA TYR A 75 2.447 11.590 15.787 1.00 55.04 C ATOM 1139 C TYR A 75 1.547 11.535 14.555 1.00 4.32 C ATOM 1140 O TYR A 75 0.431 11.017 14.609 1.00 5.43 O ATOM 1141 CB TYR A 75 3.189 10.262 15.950 1.00 55.45 C ATOM 1142 CG TYR A 75 4.059 10.203 17.184 1.00 4.01 C ATOM 1143 CD1 TYR A 75 5.151 11.050 17.330 1.00 64.44 C ATOM 1144 CD2 TYR A 75 3.789 9.301 18.206 1.00 64.43 C ATOM 1145 CE1 TYR A 75 5.950 10.998 18.456 1.00 41.15 C ATOM 1146 CE2 TYR A 75 4.582 9.243 19.336 1.00 52.11 C ATOM 1147 CZ TYR A 75 5.661 10.093 19.456 1.00 42.41 C ATOM 1148 OH TYR A 75 6.454 10.040 20.580 1.00 55.03 O ATOM 0 H TYR A 75 0.947 11.202 17.199 1.00 73.40 H new ATOM 0 HA TYR A 75 3.174 12.390 15.648 1.00 55.04 H new ATOM 0 HB2 TYR A 75 2.461 9.451 15.989 1.00 55.45 H new ATOM 0 HB3 TYR A 75 3.809 10.091 15.070 1.00 55.45 H new ATOM 0 HD1 TYR A 75 5.379 11.761 16.550 1.00 64.44 H new ATOM 0 HD2 TYR A 75 2.945 8.634 18.115 1.00 64.43 H new ATOM 0 HE1 TYR A 75 6.796 11.662 18.553 1.00 41.15 H new ATOM 0 HE2 TYR A 75 4.358 8.536 20.121 1.00 52.11 H new ATOM 0 HH TYR A 75 6.266 10.815 21.150 1.00 55.03 H new ATOM 1158 N HIS A 76 2.042 12.073 13.445 1.00 43.11 N ATOM 1159 CA HIS A 76 1.285 12.085 12.198 1.00 4.01 C ATOM 1160 C HIS A 76 1.820 11.036 11.228 1.00 72.20 C ATOM 1161 O HIS A 76 1.230 10.792 10.175 1.00 63.24 O ATOM 1162 CB HIS A 76 1.346 13.470 11.554 1.00 53.25 C ATOM 1163 CG HIS A 76 2.671 13.784 10.931 1.00 23.02 C ATOM 1164 ND1 HIS A 76 2.823 14.683 9.897 1.00 2.51 N ATOM 1165 CD2 HIS A 76 3.911 13.313 11.204 1.00 51.43 C ATOM 1166 CE1 HIS A 76 4.099 14.751 9.559 1.00 14.33 C ATOM 1167 NE2 HIS A 76 4.780 13.930 10.337 1.00 30.14 N ATOM 0 H HIS A 76 2.963 12.506 13.383 1.00 43.11 H new ATOM 0 HA HIS A 76 0.247 11.845 12.429 1.00 4.01 H new ATOM 0 HB2 HIS A 76 0.570 13.542 10.792 1.00 53.25 H new ATOM 0 HB3 HIS A 76 1.122 14.223 12.310 1.00 53.25 H new ATOM 0 HD2 HIS A 76 4.169 12.588 11.962 1.00 51.43 H new ATOM 0 HE1 HIS A 76 4.514 15.372 8.779 1.00 14.33 H new ATOM 0 HE2 HIS A 76 5.788 13.778 10.300 1.00 30.14 H new ATOM 1175 N HIS A 77 2.940 10.418 11.590 1.00 40.33 N ATOM 1176 CA HIS A 77 3.554 9.395 10.751 1.00 41.21 C ATOM 1177 C HIS A 77 4.741 8.750 11.461 1.00 15.42 C ATOM 1178 O HIS A 77 4.851 7.526 11.517 1.00 10.22 O ATOM 1179 CB HIS A 77 4.008 10.000 9.422 1.00 73.11 C ATOM 1180 CG HIS A 77 4.425 8.978 8.410 1.00 73.41 C ATOM 1181 ND1 HIS A 77 3.860 8.887 7.155 1.00 32.32 N ATOM 1182 CD2 HIS A 77 5.359 8.000 8.472 1.00 35.22 C ATOM 1183 CE1 HIS A 77 4.427 7.896 6.490 1.00 11.03 C ATOM 1184 NE2 HIS A 77 5.340 7.342 7.267 1.00 23.20 N ATOM 0 H HIS A 77 3.441 10.608 12.458 1.00 40.33 H new ATOM 0 HA HIS A 77 2.808 8.625 10.555 1.00 41.21 H new ATOM 0 HB2 HIS A 77 3.196 10.598 9.009 1.00 73.11 H new ATOM 0 HB3 HIS A 77 4.842 10.678 9.607 1.00 73.11 H new ATOM 0 HD2 HIS A 77 6.000 7.779 9.313 1.00 35.22 H new ATOM 0 HE1 HIS A 77 4.185 7.591 5.483 1.00 11.03 H new ATOM 0 HE2 HIS A 77 5.935 6.553 7.013 1.00 23.20 H new ATOM 1192 N GLU A 78 5.625 9.583 12.001 1.00 11.21 N ATOM 1193 CA GLU A 78 6.804 9.093 12.706 1.00 75.11 C ATOM 1194 C GLU A 78 6.524 8.950 14.199 1.00 3.54 C ATOM 1195 O GLU A 78 6.092 9.899 14.854 1.00 74.51 O ATOM 1196 CB GLU A 78 7.987 10.037 12.485 1.00 11.50 C ATOM 1197 CG GLU A 78 7.670 11.492 12.790 1.00 30.11 C ATOM 1198 CD GLU A 78 8.721 12.147 13.665 1.00 32.35 C ATOM 1199 OE1 GLU A 78 9.923 11.998 13.362 1.00 11.51 O ATOM 1200 OE2 GLU A 78 8.340 12.808 14.654 1.00 22.13 O ATOM 0 H GLU A 78 5.547 10.599 11.964 1.00 11.21 H new ATOM 0 HA GLU A 78 7.054 8.111 12.305 1.00 75.11 H new ATOM 0 HB2 GLU A 78 8.819 9.716 13.112 1.00 11.50 H new ATOM 0 HB3 GLU A 78 8.318 9.955 11.450 1.00 11.50 H new ATOM 0 HG2 GLU A 78 7.585 12.045 11.855 1.00 30.11 H new ATOM 0 HG3 GLU A 78 6.701 11.553 13.285 1.00 30.11 H new ATOM 1207 N ALA A 79 6.775 7.759 14.731 1.00 33.51 N ATOM 1208 CA ALA A 79 6.552 7.491 16.147 1.00 41.44 C ATOM 1209 C ALA A 79 7.531 6.445 16.669 1.00 42.34 C ATOM 1210 O ALA A 79 7.283 5.244 16.565 1.00 42.44 O ATOM 1211 CB ALA A 79 5.118 7.038 16.379 1.00 65.31 C ATOM 0 H ALA A 79 7.133 6.963 14.203 1.00 33.51 H new ATOM 0 HA ALA A 79 6.723 8.416 16.698 1.00 41.44 H new ATOM 0 HB1 ALA A 79 4.966 6.841 17.440 1.00 65.31 H new ATOM 0 HB2 ALA A 79 4.432 7.820 16.053 1.00 65.31 H new ATOM 0 HB3 ALA A 79 4.927 6.128 15.810 1.00 65.31 H new ATOM 1217 N GLN A 80 8.643 6.910 17.229 1.00 63.12 N ATOM 1218 CA GLN A 80 9.660 6.013 17.765 1.00 20.12 C ATOM 1219 C GLN A 80 9.973 6.352 19.219 1.00 34.10 C ATOM 1220 O GLN A 80 9.903 7.512 19.626 1.00 74.32 O ATOM 1221 CB GLN A 80 10.936 6.093 16.925 1.00 53.01 C ATOM 1222 CG GLN A 80 12.134 5.417 17.572 1.00 51.41 C ATOM 1223 CD GLN A 80 13.391 5.531 16.733 1.00 63.33 C ATOM 1224 OE1 GLN A 80 13.981 6.606 16.619 1.00 22.44 O ATOM 1225 NE2 GLN A 80 13.809 4.419 16.139 1.00 61.13 N ATOM 0 H GLN A 80 8.862 7.902 17.323 1.00 63.12 H new ATOM 0 HA GLN A 80 9.269 4.996 17.723 1.00 20.12 H new ATOM 0 HB2 GLN A 80 10.751 5.634 15.954 1.00 53.01 H new ATOM 0 HB3 GLN A 80 11.175 7.141 16.742 1.00 53.01 H new ATOM 0 HG2 GLN A 80 12.313 5.862 18.551 1.00 51.41 H new ATOM 0 HG3 GLN A 80 11.907 4.364 17.738 1.00 51.41 H new ATOM 0 HE21 GLN A 80 13.290 3.550 16.261 1.00 61.13 H new ATOM 0 HE22 GLN A 80 14.650 4.434 15.561 1.00 61.13 H new ATOM 1234 N VAL A 81 10.318 5.332 19.998 1.00 34.34 N ATOM 1235 CA VAL A 81 10.642 5.521 21.407 1.00 15.52 C ATOM 1236 C VAL A 81 11.889 4.736 21.795 1.00 63.02 C ATOM 1237 O VAL A 81 12.071 3.594 21.375 1.00 65.33 O ATOM 1238 CB VAL A 81 9.474 5.090 22.315 1.00 62.14 C ATOM 1239 CG1 VAL A 81 9.714 5.545 23.746 1.00 21.42 C ATOM 1240 CG2 VAL A 81 8.158 5.639 21.786 1.00 73.13 C ATOM 0 H VAL A 81 10.380 4.366 19.677 1.00 34.34 H new ATOM 0 HA VAL A 81 10.828 6.586 21.548 1.00 15.52 H new ATOM 0 HB VAL A 81 9.415 4.002 22.310 1.00 62.14 H new ATOM 0 HG11 VAL A 81 8.879 5.232 24.372 1.00 21.42 H new ATOM 0 HG12 VAL A 81 10.635 5.099 24.120 1.00 21.42 H new ATOM 0 HG13 VAL A 81 9.800 6.631 23.773 1.00 21.42 H new ATOM 0 HG21 VAL A 81 7.344 5.325 22.439 1.00 73.13 H new ATOM 0 HG22 VAL A 81 8.202 6.728 21.759 1.00 73.13 H new ATOM 0 HG23 VAL A 81 7.983 5.258 20.780 1.00 73.13 H new ATOM 1250 N ALA A 82 12.746 5.356 22.599 1.00 1.24 N ATOM 1251 CA ALA A 82 13.976 4.714 23.046 1.00 1.32 C ATOM 1252 C ALA A 82 13.822 4.154 24.456 1.00 3.43 C ATOM 1253 O ALA A 82 13.291 4.821 25.345 1.00 24.31 O ATOM 1254 CB ALA A 82 15.135 5.698 22.991 1.00 43.34 C ATOM 0 H ALA A 82 12.611 6.303 22.954 1.00 1.24 H new ATOM 0 HA ALA A 82 14.187 3.882 22.374 1.00 1.32 H new ATOM 0 HB1 ALA A 82 16.047 5.205 23.328 1.00 43.34 H new ATOM 0 HB2 ALA A 82 15.268 6.047 21.967 1.00 43.34 H new ATOM 0 HB3 ALA A 82 14.922 6.548 23.639 1.00 43.34 H new ATOM 1260 N PHE A 83 14.289 2.926 24.654 1.00 2.13 N ATOM 1261 CA PHE A 83 14.202 2.276 25.957 1.00 72.24 C ATOM 1262 C PHE A 83 15.591 1.942 26.492 1.00 1.33 C ATOM 1263 O PHE A 83 16.084 0.823 26.356 1.00 25.40 O ATOM 1264 CB PHE A 83 13.361 1.001 25.858 1.00 3.04 C ATOM 1265 CG PHE A 83 12.070 1.190 25.114 1.00 4.02 C ATOM 1266 CD1 PHE A 83 11.240 2.261 25.402 1.00 50.13 C ATOM 1267 CD2 PHE A 83 11.687 0.296 24.127 1.00 2.13 C ATOM 1268 CE1 PHE A 83 10.052 2.438 24.718 1.00 15.25 C ATOM 1269 CE2 PHE A 83 10.500 0.468 23.440 1.00 3.34 C ATOM 1270 CZ PHE A 83 9.681 1.540 23.737 1.00 31.12 C ATOM 0 H PHE A 83 14.731 2.361 23.929 1.00 2.13 H new ATOM 0 HA PHE A 83 13.722 2.968 26.650 1.00 72.24 H new ATOM 0 HB2 PHE A 83 13.947 0.227 25.362 1.00 3.04 H new ATOM 0 HB3 PHE A 83 13.142 0.641 26.863 1.00 3.04 H new ATOM 0 HD1 PHE A 83 11.524 2.966 26.170 1.00 50.13 H new ATOM 0 HD2 PHE A 83 12.323 -0.545 23.892 1.00 2.13 H new ATOM 0 HE1 PHE A 83 9.414 3.278 24.951 1.00 15.25 H new ATOM 0 HE2 PHE A 83 10.213 -0.235 22.672 1.00 3.34 H new ATOM 0 HZ PHE A 83 8.752 1.675 23.203 1.00 31.12 H new ATOM 1280 N PRO A 84 16.239 2.938 27.116 1.00 34.54 N ATOM 1281 CA PRO A 84 17.580 2.775 27.685 1.00 12.14 C ATOM 1282 C PRO A 84 17.583 1.871 28.914 1.00 51.35 C ATOM 1283 O PRO A 84 16.738 2.008 29.799 1.00 60.53 O ATOM 1284 CB PRO A 84 17.977 4.202 28.071 1.00 51.33 C ATOM 1285 CG PRO A 84 16.684 4.911 28.284 1.00 32.43 C ATOM 1286 CD PRO A 84 15.711 4.298 27.315 1.00 31.22 C ATOM 0 HA PRO A 84 18.266 2.302 26.982 1.00 12.14 H new ATOM 0 HB2 PRO A 84 18.588 4.212 28.974 1.00 51.33 H new ATOM 0 HB3 PRO A 84 18.564 4.676 27.284 1.00 51.33 H new ATOM 0 HG2 PRO A 84 16.339 4.793 29.311 1.00 32.43 H new ATOM 0 HG3 PRO A 84 16.791 5.981 28.105 1.00 32.43 H new ATOM 0 HD2 PRO A 84 14.699 4.281 27.719 1.00 31.22 H new ATOM 0 HD3 PRO A 84 15.672 4.855 26.379 1.00 31.22 H new ATOM 1294 N TYR A 85 18.538 0.949 28.961 1.00 11.21 N ATOM 1295 CA TYR A 85 18.649 0.021 30.080 1.00 4.54 C ATOM 1296 C TYR A 85 19.040 0.756 31.360 1.00 74.43 C ATOM 1297 O TYR A 85 19.595 1.853 31.314 1.00 25.51 O ATOM 1298 CB TYR A 85 19.680 -1.065 29.768 1.00 35.45 C ATOM 1299 CG TYR A 85 19.330 -1.902 28.558 1.00 13.24 C ATOM 1300 CD1 TYR A 85 18.022 -2.307 28.324 1.00 73.02 C ATOM 1301 CD2 TYR A 85 20.308 -2.286 27.649 1.00 14.00 C ATOM 1302 CE1 TYR A 85 17.698 -3.072 27.220 1.00 51.20 C ATOM 1303 CE2 TYR A 85 19.993 -3.050 26.542 1.00 53.44 C ATOM 1304 CZ TYR A 85 18.687 -3.440 26.332 1.00 73.42 C ATOM 1305 OH TYR A 85 18.368 -4.201 25.230 1.00 30.02 O ATOM 0 H TYR A 85 19.246 0.824 28.238 1.00 11.21 H new ATOM 0 HA TYR A 85 17.675 -0.444 30.232 1.00 4.54 H new ATOM 0 HB2 TYR A 85 20.651 -0.597 29.607 1.00 35.45 H new ATOM 0 HB3 TYR A 85 19.781 -1.718 30.635 1.00 35.45 H new ATOM 0 HD1 TYR A 85 17.245 -2.019 29.017 1.00 73.02 H new ATOM 0 HD2 TYR A 85 21.332 -1.982 27.811 1.00 14.00 H new ATOM 0 HE1 TYR A 85 16.676 -3.380 27.053 1.00 51.20 H new ATOM 0 HE2 TYR A 85 20.765 -3.340 25.845 1.00 53.44 H new ATOM 0 HH TYR A 85 18.091 -5.095 25.519 1.00 30.02 H new ATOM 1315 N ALA A 86 18.744 0.141 32.500 1.00 23.23 N ATOM 1316 CA ALA A 86 19.066 0.733 33.793 1.00 51.12 C ATOM 1317 C ALA A 86 19.878 -0.231 34.651 1.00 11.55 C ATOM 1318 O ALA A 86 20.203 0.069 35.801 1.00 65.44 O ATOM 1319 CB ALA A 86 17.792 1.143 34.517 1.00 41.21 C ATOM 0 H ALA A 86 18.282 -0.767 32.555 1.00 23.23 H new ATOM 0 HA ALA A 86 19.673 1.621 33.618 1.00 51.12 H new ATOM 0 HB1 ALA A 86 18.047 1.583 35.481 1.00 41.21 H new ATOM 0 HB2 ALA A 86 17.251 1.874 33.916 1.00 41.21 H new ATOM 0 HB3 ALA A 86 17.164 0.266 34.674 1.00 41.21 H new ATOM 1325 N LYS A 87 20.202 -1.389 34.087 1.00 32.14 N ATOM 1326 CA LYS A 87 20.976 -2.398 34.800 1.00 5.25 C ATOM 1327 C LYS A 87 21.725 -3.300 33.824 1.00 14.12 C ATOM 1328 O LYS A 87 21.293 -3.493 32.688 1.00 23.21 O ATOM 1329 CB LYS A 87 20.059 -3.240 35.690 1.00 63.43 C ATOM 1330 CG LYS A 87 20.071 -2.818 37.149 1.00 61.33 C ATOM 1331 CD LYS A 87 21.014 -3.680 37.971 1.00 64.21 C ATOM 1332 CE LYS A 87 20.387 -5.023 38.313 1.00 64.24 C ATOM 1333 NZ LYS A 87 21.248 -5.819 39.231 1.00 33.40 N ATOM 0 H LYS A 87 19.940 -1.652 33.137 1.00 32.14 H new ATOM 0 HA LYS A 87 21.706 -1.884 35.425 1.00 5.25 H new ATOM 0 HB2 LYS A 87 19.039 -3.175 35.310 1.00 63.43 H new ATOM 0 HB3 LYS A 87 20.359 -4.285 35.621 1.00 63.43 H new ATOM 0 HG2 LYS A 87 20.373 -1.773 37.224 1.00 61.33 H new ATOM 0 HG3 LYS A 87 19.063 -2.889 37.557 1.00 61.33 H new ATOM 0 HD2 LYS A 87 21.939 -3.840 37.417 1.00 64.21 H new ATOM 0 HD3 LYS A 87 21.279 -3.157 38.890 1.00 64.21 H new ATOM 0 HE2 LYS A 87 19.414 -4.862 38.776 1.00 64.24 H new ATOM 0 HE3 LYS A 87 20.214 -5.587 37.396 1.00 64.24 H new ATOM 0 HZ1 LYS A 87 20.786 -6.727 39.440 1.00 33.40 H new ATOM 0 HZ2 LYS A 87 22.168 -5.995 38.779 1.00 33.40 H new ATOM 0 HZ3 LYS A 87 21.392 -5.292 40.116 1.00 33.40 H new ATOM 1347 N ALA A 88 22.847 -3.851 34.276 1.00 52.44 N ATOM 1348 CA ALA A 88 23.652 -4.735 33.443 1.00 64.01 C ATOM 1349 C ALA A 88 23.164 -6.176 33.541 1.00 62.43 C ATOM 1350 O ALA A 88 23.226 -6.793 34.605 1.00 53.53 O ATOM 1351 CB ALA A 88 25.118 -4.644 33.840 1.00 22.15 C ATOM 0 H ALA A 88 23.219 -3.701 35.214 1.00 52.44 H new ATOM 0 HA ALA A 88 23.547 -4.413 32.407 1.00 64.01 H new ATOM 0 HB1 ALA A 88 25.708 -5.310 33.210 1.00 22.15 H new ATOM 0 HB2 ALA A 88 25.467 -3.619 33.712 1.00 22.15 H new ATOM 0 HB3 ALA A 88 25.231 -4.938 34.884 1.00 22.15 H new ATOM 1357 N VAL A 89 22.678 -6.709 32.424 1.00 44.12 N ATOM 1358 CA VAL A 89 22.180 -8.078 32.384 1.00 71.53 C ATOM 1359 C VAL A 89 22.283 -8.660 30.978 1.00 12.22 C ATOM 1360 O VAL A 89 21.933 -8.005 29.997 1.00 30.21 O ATOM 1361 CB VAL A 89 20.715 -8.157 32.854 1.00 42.43 C ATOM 1362 CG1 VAL A 89 20.635 -8.063 34.370 1.00 50.22 C ATOM 1363 CG2 VAL A 89 19.887 -7.061 32.199 1.00 71.40 C ATOM 0 H VAL A 89 22.619 -6.213 31.535 1.00 44.12 H new ATOM 0 HA VAL A 89 22.803 -8.661 33.062 1.00 71.53 H new ATOM 0 HB VAL A 89 20.305 -9.121 32.552 1.00 42.43 H new ATOM 0 HG11 VAL A 89 19.593 -8.121 34.684 1.00 50.22 H new ATOM 0 HG12 VAL A 89 21.194 -8.886 34.816 1.00 50.22 H new ATOM 0 HG13 VAL A 89 21.061 -7.115 34.699 1.00 50.22 H new ATOM 0 HG21 VAL A 89 18.855 -7.131 32.542 1.00 71.40 H new ATOM 0 HG22 VAL A 89 20.294 -6.087 32.470 1.00 71.40 H new ATOM 0 HG23 VAL A 89 19.919 -7.179 31.116 1.00 71.40 H new ATOM 1373 N GLY A 90 22.766 -9.896 30.888 1.00 15.45 N ATOM 1374 CA GLY A 90 22.906 -10.545 29.598 1.00 32.45 C ATOM 1375 C GLY A 90 21.810 -11.559 29.338 1.00 75.23 C ATOM 1376 O GLY A 90 21.959 -12.440 28.492 1.00 62.13 O ATOM 0 H GLY A 90 23.063 -10.459 31.685 1.00 15.45 H new ATOM 0 HA2 GLY A 90 22.893 -9.790 28.812 1.00 32.45 H new ATOM 0 HA3 GLY A 90 23.875 -11.041 29.547 1.00 32.45 H new ATOM 1380 N GLU A 91 20.705 -11.436 30.068 1.00 44.33 N ATOM 1381 CA GLU A 91 19.581 -12.351 29.912 1.00 61.20 C ATOM 1382 C GLU A 91 18.486 -11.727 29.052 1.00 11.43 C ATOM 1383 O GLU A 91 18.431 -10.512 28.858 1.00 33.04 O ATOM 1384 CB GLU A 91 19.014 -12.735 31.280 1.00 10.03 C ATOM 1385 CG GLU A 91 19.564 -14.044 31.822 1.00 75.05 C ATOM 1386 CD GLU A 91 19.077 -14.345 33.226 1.00 52.02 C ATOM 1387 OE1 GLU A 91 18.682 -13.395 33.934 1.00 62.22 O ATOM 1388 OE2 GLU A 91 19.090 -15.531 33.616 1.00 24.22 O ATOM 0 H GLU A 91 20.565 -10.712 30.773 1.00 44.33 H new ATOM 0 HA GLU A 91 19.944 -13.249 29.412 1.00 61.20 H new ATOM 0 HB2 GLU A 91 19.231 -11.938 31.991 1.00 10.03 H new ATOM 0 HB3 GLU A 91 17.929 -12.809 31.206 1.00 10.03 H new ATOM 0 HG2 GLU A 91 19.273 -14.858 31.158 1.00 75.05 H new ATOM 0 HG3 GLU A 91 20.653 -14.005 31.820 1.00 75.05 H new ATOM 1395 N PRO A 92 17.593 -12.576 28.523 1.00 31.13 N ATOM 1396 CA PRO A 92 16.483 -12.131 27.676 1.00 72.24 C ATOM 1397 C PRO A 92 15.429 -11.357 28.460 1.00 74.41 C ATOM 1398 O PRO A 92 15.249 -11.575 29.658 1.00 13.24 O ATOM 1399 CB PRO A 92 15.897 -13.441 27.141 1.00 4.24 C ATOM 1400 CG PRO A 92 16.266 -14.464 28.160 1.00 43.25 C ATOM 1401 CD PRO A 92 17.598 -14.036 28.712 1.00 32.54 C ATOM 0 HA PRO A 92 16.815 -11.447 26.895 1.00 72.24 H new ATOM 0 HB2 PRO A 92 14.816 -13.372 27.023 1.00 4.24 H new ATOM 0 HB3 PRO A 92 16.310 -13.689 26.163 1.00 4.24 H new ATOM 0 HG2 PRO A 92 15.516 -14.518 28.949 1.00 43.25 H new ATOM 0 HG3 PRO A 92 16.329 -15.456 27.712 1.00 43.25 H new ATOM 0 HD2 PRO A 92 17.702 -14.305 29.763 1.00 32.54 H new ATOM 0 HD3 PRO A 92 18.424 -14.507 28.179 1.00 32.54 H new ATOM 1409 N TYR A 93 14.734 -10.454 27.777 1.00 63.34 N ATOM 1410 CA TYR A 93 13.699 -9.647 28.410 1.00 11.34 C ATOM 1411 C TYR A 93 12.437 -9.608 27.553 1.00 4.13 C ATOM 1412 O TYR A 93 12.451 -10.007 26.389 1.00 74.14 O ATOM 1413 CB TYR A 93 14.208 -8.225 28.652 1.00 4.13 C ATOM 1414 CG TYR A 93 15.372 -7.840 27.767 1.00 50.21 C ATOM 1415 CD1 TYR A 93 16.675 -8.177 28.113 1.00 72.12 C ATOM 1416 CD2 TYR A 93 15.169 -7.138 26.585 1.00 10.12 C ATOM 1417 CE1 TYR A 93 17.741 -7.827 27.307 1.00 2.14 C ATOM 1418 CE2 TYR A 93 16.229 -6.785 25.773 1.00 41.20 C ATOM 1419 CZ TYR A 93 17.513 -7.131 26.138 1.00 22.34 C ATOM 1420 OH TYR A 93 18.572 -6.780 25.333 1.00 61.13 O ATOM 0 H TYR A 93 14.869 -10.263 26.784 1.00 63.34 H new ATOM 0 HA TYR A 93 13.452 -10.106 29.367 1.00 11.34 H new ATOM 0 HB2 TYR A 93 13.391 -7.523 28.489 1.00 4.13 H new ATOM 0 HB3 TYR A 93 14.508 -8.128 29.695 1.00 4.13 H new ATOM 0 HD1 TYR A 93 16.857 -8.722 29.028 1.00 72.12 H new ATOM 0 HD2 TYR A 93 14.165 -6.864 26.296 1.00 10.12 H new ATOM 0 HE1 TYR A 93 18.748 -8.097 27.591 1.00 2.14 H new ATOM 0 HE2 TYR A 93 16.053 -6.241 24.857 1.00 41.20 H new ATOM 0 HH TYR A 93 18.276 -6.747 24.399 1.00 61.13 H new ATOM 1430 N LYS A 94 11.347 -9.123 28.138 1.00 23.34 N ATOM 1431 CA LYS A 94 10.076 -9.029 27.431 1.00 41.05 C ATOM 1432 C LYS A 94 9.759 -7.581 27.073 1.00 53.43 C ATOM 1433 O LYS A 94 10.049 -6.663 27.841 1.00 13.43 O ATOM 1434 CB LYS A 94 8.949 -9.613 28.285 1.00 74.24 C ATOM 1435 CG LYS A 94 7.834 -10.246 27.470 1.00 54.31 C ATOM 1436 CD LYS A 94 6.550 -9.438 27.560 1.00 12.21 C ATOM 1437 CE LYS A 94 5.517 -10.129 28.436 1.00 34.14 C ATOM 1438 NZ LYS A 94 5.897 -10.094 29.876 1.00 41.33 N ATOM 0 H LYS A 94 11.319 -8.789 29.101 1.00 23.34 H new ATOM 0 HA LYS A 94 10.159 -9.603 26.508 1.00 41.05 H new ATOM 0 HB2 LYS A 94 9.366 -10.362 28.959 1.00 74.24 H new ATOM 0 HB3 LYS A 94 8.529 -8.823 28.907 1.00 74.24 H new ATOM 0 HG2 LYS A 94 8.143 -10.324 26.428 1.00 54.31 H new ATOM 0 HG3 LYS A 94 7.653 -11.260 27.826 1.00 54.31 H new ATOM 0 HD2 LYS A 94 6.768 -8.450 27.964 1.00 12.21 H new ATOM 0 HD3 LYS A 94 6.141 -9.291 26.561 1.00 12.21 H new ATOM 0 HE2 LYS A 94 4.548 -9.647 28.304 1.00 34.14 H new ATOM 0 HE3 LYS A 94 5.404 -11.165 28.116 1.00 34.14 H new ATOM 0 HZ1 LYS A 94 5.167 -10.575 30.439 1.00 41.33 H new ATOM 0 HZ2 LYS A 94 6.809 -10.576 30.006 1.00 41.33 H new ATOM 0 HZ3 LYS A 94 5.980 -9.106 30.189 1.00 41.33 H new ATOM 1452 N LEU A 95 9.161 -7.382 25.903 1.00 32.32 N ATOM 1453 CA LEU A 95 8.802 -6.045 25.444 1.00 1.22 C ATOM 1454 C LEU A 95 7.301 -5.939 25.195 1.00 0.10 C ATOM 1455 O LEU A 95 6.694 -6.834 24.608 1.00 72.43 O ATOM 1456 CB LEU A 95 9.568 -5.700 24.166 1.00 64.41 C ATOM 1457 CG LEU A 95 8.952 -4.612 23.287 1.00 41.34 C ATOM 1458 CD1 LEU A 95 8.783 -3.322 24.074 1.00 3.40 C ATOM 1459 CD2 LEU A 95 9.808 -4.376 22.051 1.00 62.23 C ATOM 0 H LEU A 95 8.915 -8.130 25.255 1.00 32.32 H new ATOM 0 HA LEU A 95 9.073 -5.335 26.225 1.00 1.22 H new ATOM 0 HB2 LEU A 95 10.575 -5.388 24.443 1.00 64.41 H new ATOM 0 HB3 LEU A 95 9.668 -6.607 23.570 1.00 64.41 H new ATOM 0 HG LEU A 95 7.967 -4.948 22.964 1.00 41.34 H new ATOM 0 HD11 LEU A 95 8.343 -2.559 23.432 1.00 3.40 H new ATOM 0 HD12 LEU A 95 8.128 -3.499 24.927 1.00 3.40 H new ATOM 0 HD13 LEU A 95 9.756 -2.981 24.428 1.00 3.40 H new ATOM 0 HD21 LEU A 95 9.354 -3.598 21.437 1.00 62.23 H new ATOM 0 HD22 LEU A 95 10.807 -4.062 22.355 1.00 62.23 H new ATOM 0 HD23 LEU A 95 9.877 -5.299 21.475 1.00 62.23 H new ATOM 1471 N VAL A 96 6.708 -4.837 25.644 1.00 61.12 N ATOM 1472 CA VAL A 96 5.279 -4.612 25.467 1.00 55.12 C ATOM 1473 C VAL A 96 5.014 -3.290 24.755 1.00 4.32 C ATOM 1474 O VAL A 96 5.397 -2.224 25.240 1.00 51.11 O ATOM 1475 CB VAL A 96 4.539 -4.612 26.818 1.00 53.13 C ATOM 1476 CG1 VAL A 96 3.035 -4.532 26.603 1.00 0.42 C ATOM 1477 CG2 VAL A 96 4.905 -5.848 27.625 1.00 1.13 C ATOM 0 H VAL A 96 7.196 -4.086 26.133 1.00 61.12 H new ATOM 0 HA VAL A 96 4.903 -5.432 24.855 1.00 55.12 H new ATOM 0 HB VAL A 96 4.849 -3.732 27.382 1.00 53.13 H new ATOM 0 HG11 VAL A 96 2.529 -4.533 27.568 1.00 0.42 H new ATOM 0 HG12 VAL A 96 2.792 -3.614 26.067 1.00 0.42 H new ATOM 0 HG13 VAL A 96 2.705 -5.391 26.019 1.00 0.42 H new ATOM 0 HG21 VAL A 96 4.373 -5.832 28.576 1.00 1.13 H new ATOM 0 HG22 VAL A 96 4.625 -6.742 27.068 1.00 1.13 H new ATOM 0 HG23 VAL A 96 5.979 -5.857 27.810 1.00 1.13 H new ATOM 1487 N LEU A 97 4.358 -3.365 23.603 1.00 71.42 N ATOM 1488 CA LEU A 97 4.041 -2.174 22.823 1.00 2.20 C ATOM 1489 C LEU A 97 2.533 -2.005 22.675 1.00 75.11 C ATOM 1490 O LEU A 97 1.812 -2.968 22.409 1.00 12.31 O ATOM 1491 CB LEU A 97 4.695 -2.255 21.442 1.00 32.34 C ATOM 1492 CG LEU A 97 5.768 -1.207 21.145 1.00 70.40 C ATOM 1493 CD1 LEU A 97 5.149 0.178 21.049 1.00 52.30 C ATOM 1494 CD2 LEU A 97 6.852 -1.236 22.213 1.00 61.45 C ATOM 0 H LEU A 97 4.035 -4.239 23.188 1.00 71.42 H new ATOM 0 HA LEU A 97 4.434 -1.307 23.354 1.00 2.20 H new ATOM 0 HB2 LEU A 97 5.140 -3.244 21.330 1.00 32.34 H new ATOM 0 HB3 LEU A 97 3.914 -2.170 20.687 1.00 32.34 H new ATOM 0 HG LEU A 97 6.225 -1.445 20.185 1.00 70.40 H new ATOM 0 HD11 LEU A 97 5.928 0.911 20.837 1.00 52.30 H new ATOM 0 HD12 LEU A 97 4.410 0.192 20.248 1.00 52.30 H new ATOM 0 HD13 LEU A 97 4.664 0.426 21.993 1.00 52.30 H new ATOM 0 HD21 LEU A 97 7.607 -0.484 21.985 1.00 61.45 H new ATOM 0 HD22 LEU A 97 6.410 -1.023 23.186 1.00 61.45 H new ATOM 0 HD23 LEU A 97 7.317 -2.222 22.233 1.00 61.45 H new ATOM 1506 N THR A 98 2.060 -0.774 22.846 1.00 21.34 N ATOM 1507 CA THR A 98 0.638 -0.479 22.731 1.00 53.40 C ATOM 1508 C THR A 98 0.398 0.730 21.833 1.00 24.22 C ATOM 1509 O THR A 98 0.947 1.807 22.066 1.00 24.03 O ATOM 1510 CB THR A 98 0.005 -0.212 24.110 1.00 25.42 C ATOM 1511 OG1 THR A 98 0.410 -1.225 25.038 1.00 33.31 O ATOM 1512 CG2 THR A 98 -1.512 -0.183 24.013 1.00 34.11 C ATOM 0 H THR A 98 2.642 0.035 23.065 1.00 21.34 H new ATOM 0 HA THR A 98 0.169 -1.357 22.288 1.00 53.40 H new ATOM 0 HB THR A 98 0.349 0.761 24.461 1.00 25.42 H new ATOM 0 HG1 THR A 98 0.005 -1.048 25.913 1.00 33.31 H new ATOM 0 HG21 THR A 98 -1.936 0.007 24.999 1.00 34.11 H new ATOM 0 HG22 THR A 98 -1.818 0.608 23.328 1.00 34.11 H new ATOM 0 HG23 THR A 98 -1.871 -1.143 23.642 1.00 34.11 H new ATOM 1520 N TYR A 99 -0.424 0.545 20.807 1.00 73.31 N ATOM 1521 CA TYR A 99 -0.735 1.620 19.873 1.00 41.14 C ATOM 1522 C TYR A 99 -2.208 2.006 19.957 1.00 55.32 C ATOM 1523 O TYR A 99 -3.088 1.146 19.937 1.00 72.01 O ATOM 1524 CB TYR A 99 -0.387 1.199 18.444 1.00 74.02 C ATOM 1525 CG TYR A 99 0.573 0.034 18.373 1.00 63.43 C ATOM 1526 CD1 TYR A 99 1.888 0.165 18.802 1.00 44.22 C ATOM 1527 CD2 TYR A 99 0.167 -1.198 17.876 1.00 73.44 C ATOM 1528 CE1 TYR A 99 2.770 -0.897 18.738 1.00 1.52 C ATOM 1529 CE2 TYR A 99 1.041 -2.266 17.810 1.00 50.23 C ATOM 1530 CZ TYR A 99 2.342 -2.110 18.242 1.00 55.01 C ATOM 1531 OH TYR A 99 3.216 -3.171 18.176 1.00 11.55 O ATOM 0 H TYR A 99 -0.887 -0.340 20.601 1.00 73.31 H new ATOM 0 HA TYR A 99 -0.135 2.488 20.145 1.00 41.14 H new ATOM 0 HB2 TYR A 99 -1.305 0.935 17.918 1.00 74.02 H new ATOM 0 HB3 TYR A 99 0.048 2.050 17.919 1.00 74.02 H new ATOM 0 HD1 TYR A 99 2.227 1.113 19.192 1.00 44.22 H new ATOM 0 HD2 TYR A 99 -0.850 -1.323 17.535 1.00 73.44 H new ATOM 0 HE1 TYR A 99 3.789 -0.777 19.075 1.00 1.52 H new ATOM 0 HE2 TYR A 99 0.708 -3.217 17.423 1.00 50.23 H new ATOM 0 HH TYR A 99 4.092 -2.895 18.517 1.00 11.55 H new ATOM 1541 N GLN A 100 -2.468 3.306 20.050 1.00 13.44 N ATOM 1542 CA GLN A 100 -3.835 3.807 20.138 1.00 42.52 C ATOM 1543 C GLN A 100 -3.922 5.242 19.628 1.00 11.20 C ATOM 1544 O GLN A 100 -3.205 6.124 20.100 1.00 75.13 O ATOM 1545 CB GLN A 100 -4.336 3.735 21.581 1.00 4.23 C ATOM 1546 CG GLN A 100 -5.645 4.473 21.809 1.00 41.42 C ATOM 1547 CD GLN A 100 -6.246 4.189 23.171 1.00 74.52 C ATOM 1548 OE1 GLN A 100 -5.604 4.392 24.201 1.00 5.01 O ATOM 1549 NE2 GLN A 100 -7.487 3.715 23.183 1.00 21.10 N ATOM 0 H GLN A 100 -1.751 4.031 20.066 1.00 13.44 H new ATOM 0 HA GLN A 100 -4.467 3.178 19.511 1.00 42.52 H new ATOM 0 HB2 GLN A 100 -4.465 2.689 21.860 1.00 4.23 H new ATOM 0 HB3 GLN A 100 -3.575 4.150 22.242 1.00 4.23 H new ATOM 0 HG2 GLN A 100 -5.476 5.545 21.707 1.00 41.42 H new ATOM 0 HG3 GLN A 100 -6.358 4.188 21.035 1.00 41.42 H new ATOM 0 HE21 GLN A 100 -7.983 3.562 22.305 1.00 21.10 H new ATOM 0 HE22 GLN A 100 -7.944 3.505 24.070 1.00 21.10 H new ATOM 1558 N GLY A 101 -4.806 5.469 18.661 1.00 62.24 N ATOM 1559 CA GLY A 101 -4.970 6.798 18.102 1.00 0.23 C ATOM 1560 C GLY A 101 -6.281 6.956 17.357 1.00 5.32 C ATOM 1561 O GLY A 101 -7.235 6.220 17.604 1.00 73.43 O ATOM 0 H GLY A 101 -5.412 4.756 18.255 1.00 62.24 H new ATOM 0 HA2 GLY A 101 -4.920 7.535 18.904 1.00 0.23 H new ATOM 0 HA3 GLY A 101 -4.143 7.008 17.424 1.00 0.23 H new ATOM 1565 N SER A 102 -6.328 7.921 16.444 1.00 3.11 N ATOM 1566 CA SER A 102 -7.533 8.177 15.664 1.00 0.55 C ATOM 1567 C SER A 102 -7.180 8.644 14.256 1.00 44.53 C ATOM 1568 O SER A 102 -6.050 9.054 13.991 1.00 62.12 O ATOM 1569 CB SER A 102 -8.402 9.228 16.359 1.00 24.13 C ATOM 1570 OG SER A 102 -8.963 10.128 15.420 1.00 44.32 O ATOM 0 H SER A 102 -5.546 8.538 16.226 1.00 3.11 H new ATOM 0 HA SER A 102 -8.092 7.244 15.589 1.00 0.55 H new ATOM 0 HB2 SER A 102 -9.199 8.735 16.916 1.00 24.13 H new ATOM 0 HB3 SER A 102 -7.802 9.780 17.083 1.00 24.13 H new ATOM 0 HG SER A 102 -8.381 10.912 15.330 1.00 44.32 H new ATOM 1576 N ALA A 103 -8.155 8.579 13.355 1.00 12.45 N ATOM 1577 CA ALA A 103 -7.949 8.997 11.974 1.00 31.12 C ATOM 1578 C ALA A 103 -8.127 10.504 11.824 1.00 65.00 C ATOM 1579 O ALA A 103 -9.031 11.093 12.415 1.00 3.10 O ATOM 1580 CB ALA A 103 -8.905 8.256 11.051 1.00 51.32 C ATOM 0 H ALA A 103 -9.096 8.241 13.557 1.00 12.45 H new ATOM 0 HA ALA A 103 -6.925 8.749 11.694 1.00 31.12 H new ATOM 0 HB1 ALA A 103 -8.741 8.578 10.023 1.00 51.32 H new ATOM 0 HB2 ALA A 103 -8.727 7.183 11.129 1.00 51.32 H new ATOM 0 HB3 ALA A 103 -9.933 8.475 11.340 1.00 51.32 H new ATOM 1586 N GLU A 104 -7.257 11.121 11.030 1.00 11.41 N ATOM 1587 CA GLU A 104 -7.318 12.561 10.805 1.00 72.34 C ATOM 1588 C GLU A 104 -8.677 12.966 10.240 1.00 21.15 C ATOM 1589 O GLU A 104 -9.077 14.126 10.330 1.00 41.22 O ATOM 1590 CB GLU A 104 -6.206 12.997 9.849 1.00 51.25 C ATOM 1591 CG GLU A 104 -5.149 13.871 10.503 1.00 52.23 C ATOM 1592 CD GLU A 104 -5.585 15.318 10.629 1.00 51.12 C ATOM 1593 OE1 GLU A 104 -6.795 15.559 10.822 1.00 1.21 O ATOM 1594 OE2 GLU A 104 -4.715 16.209 10.534 1.00 13.44 O ATOM 0 H GLU A 104 -6.503 10.647 10.533 1.00 11.41 H new ATOM 0 HA GLU A 104 -7.179 13.059 11.764 1.00 72.34 H new ATOM 0 HB2 GLU A 104 -5.726 12.110 9.434 1.00 51.25 H new ATOM 0 HB3 GLU A 104 -6.649 13.540 9.014 1.00 51.25 H new ATOM 0 HG2 GLU A 104 -4.919 13.477 11.493 1.00 52.23 H new ATOM 0 HG3 GLU A 104 -4.230 13.822 9.919 1.00 52.23 H new ATOM 1601 N ALA A 105 -9.381 12.000 9.659 1.00 53.50 N ATOM 1602 CA ALA A 105 -10.695 12.255 9.082 1.00 52.35 C ATOM 1603 C ALA A 105 -11.756 12.392 10.169 1.00 44.22 C ATOM 1604 O ALA A 105 -12.751 13.093 9.994 1.00 54.04 O ATOM 1605 CB ALA A 105 -11.070 11.144 8.113 1.00 74.24 C ATOM 0 H ALA A 105 -9.063 11.034 9.576 1.00 53.50 H new ATOM 0 HA ALA A 105 -10.648 13.198 8.537 1.00 52.35 H new ATOM 0 HB1 ALA A 105 -12.054 11.347 7.689 1.00 74.24 H new ATOM 0 HB2 ALA A 105 -10.333 11.096 7.312 1.00 74.24 H new ATOM 0 HB3 ALA A 105 -11.093 10.192 8.643 1.00 74.24 H new ATOM 1611 N GLY A 106 -11.535 11.717 11.293 1.00 60.12 N ATOM 1612 CA GLY A 106 -12.481 11.776 12.392 1.00 51.14 C ATOM 1613 C GLY A 106 -12.990 10.406 12.793 1.00 73.23 C ATOM 1614 O GLY A 106 -14.183 10.226 13.038 1.00 52.10 O ATOM 0 H GLY A 106 -10.718 11.130 11.462 1.00 60.12 H new ATOM 0 HA2 GLY A 106 -12.006 12.249 13.251 1.00 51.14 H new ATOM 0 HA3 GLY A 106 -13.325 12.405 12.108 1.00 51.14 H new ATOM 1618 N VAL A 107 -12.084 9.435 12.858 1.00 13.33 N ATOM 1619 CA VAL A 107 -12.448 8.074 13.232 1.00 72.21 C ATOM 1620 C VAL A 107 -11.670 7.614 14.459 1.00 23.03 C ATOM 1621 O VAL A 107 -10.497 7.951 14.625 1.00 2.35 O ATOM 1622 CB VAL A 107 -12.193 7.088 12.077 1.00 61.44 C ATOM 1623 CG1 VAL A 107 -12.422 5.656 12.536 1.00 72.20 C ATOM 1624 CG2 VAL A 107 -13.078 7.422 10.886 1.00 51.45 C ATOM 0 H VAL A 107 -11.093 9.566 12.656 1.00 13.33 H new ATOM 0 HA VAL A 107 -13.513 8.084 13.464 1.00 72.21 H new ATOM 0 HB VAL A 107 -11.153 7.182 11.766 1.00 61.44 H new ATOM 0 HG11 VAL A 107 -12.237 4.974 11.706 1.00 72.20 H new ATOM 0 HG12 VAL A 107 -11.742 5.423 13.355 1.00 72.20 H new ATOM 0 HG13 VAL A 107 -13.452 5.543 12.876 1.00 72.20 H new ATOM 0 HG21 VAL A 107 -12.884 6.715 10.079 1.00 51.45 H new ATOM 0 HG22 VAL A 107 -14.125 7.358 11.181 1.00 51.45 H new ATOM 0 HG23 VAL A 107 -12.860 8.433 10.543 1.00 51.45 H new ATOM 1634 N CYS A 108 -12.329 6.842 15.316 1.00 0.21 N ATOM 1635 CA CYS A 108 -11.699 6.335 16.530 1.00 3.51 C ATOM 1636 C CYS A 108 -11.710 4.810 16.553 1.00 53.53 C ATOM 1637 O CYS A 108 -12.770 4.186 16.486 1.00 3.51 O ATOM 1638 CB CYS A 108 -12.414 6.881 17.767 1.00 44.51 C ATOM 1639 SG CYS A 108 -14.211 6.685 17.728 1.00 64.51 S ATOM 0 H CYS A 108 -13.300 6.553 15.193 1.00 0.21 H new ATOM 0 HA CYS A 108 -10.663 6.673 16.540 1.00 3.51 H new ATOM 0 HB2 CYS A 108 -12.023 6.377 18.651 1.00 44.51 H new ATOM 0 HB3 CYS A 108 -12.177 7.940 17.873 1.00 44.51 H new ATOM 0 HG CYS A 108 -14.511 5.533 17.206 1.00 64.51 H new ATOM 1645 N TYR A 109 -10.526 4.217 16.646 1.00 62.44 N ATOM 1646 CA TYR A 109 -10.399 2.764 16.673 1.00 51.33 C ATOM 1647 C TYR A 109 -9.880 2.288 18.026 1.00 62.12 C ATOM 1648 O TYR A 109 -9.293 3.047 18.797 1.00 41.31 O ATOM 1649 CB TYR A 109 -9.462 2.292 15.559 1.00 13.24 C ATOM 1650 CG TYR A 109 -8.326 3.249 15.278 1.00 2.02 C ATOM 1651 CD1 TYR A 109 -8.496 4.328 14.419 1.00 23.51 C ATOM 1652 CD2 TYR A 109 -7.082 3.075 15.873 1.00 61.23 C ATOM 1653 CE1 TYR A 109 -7.460 5.204 14.159 1.00 62.53 C ATOM 1654 CE2 TYR A 109 -6.041 3.947 15.619 1.00 23.33 C ATOM 1655 CZ TYR A 109 -6.234 5.009 14.761 1.00 14.14 C ATOM 1656 OH TYR A 109 -5.200 5.880 14.506 1.00 54.43 O ATOM 0 H TYR A 109 -9.640 4.719 16.704 1.00 62.44 H new ATOM 0 HA TYR A 109 -11.388 2.335 16.512 1.00 51.33 H new ATOM 0 HB2 TYR A 109 -9.049 1.320 15.830 1.00 13.24 H new ATOM 0 HB3 TYR A 109 -10.040 2.149 14.646 1.00 13.24 H new ATOM 0 HD1 TYR A 109 -9.455 4.484 13.947 1.00 23.51 H new ATOM 0 HD2 TYR A 109 -6.927 2.244 16.545 1.00 61.23 H new ATOM 0 HE1 TYR A 109 -7.609 6.037 13.488 1.00 62.53 H new ATOM 0 HE2 TYR A 109 -5.081 3.798 16.090 1.00 23.33 H new ATOM 0 HH TYR A 109 -5.265 6.204 13.583 1.00 54.43 H new ATOM 1666 N PRO A 110 -10.100 0.998 18.322 1.00 2.31 N ATOM 1667 CA PRO A 110 -9.662 0.390 19.582 1.00 65.55 C ATOM 1668 C PRO A 110 -8.145 0.251 19.661 1.00 31.43 C ATOM 1669 O PRO A 110 -7.446 0.228 18.648 1.00 25.35 O ATOM 1670 CB PRO A 110 -10.324 -0.990 19.558 1.00 34.02 C ATOM 1671 CG PRO A 110 -10.527 -1.288 18.113 1.00 75.32 C ATOM 1672 CD PRO A 110 -10.793 0.035 17.450 1.00 0.22 C ATOM 0 HA PRO A 110 -9.938 0.996 20.445 1.00 65.55 H new ATOM 0 HB2 PRO A 110 -9.692 -1.741 20.032 1.00 34.02 H new ATOM 0 HB3 PRO A 110 -11.271 -0.984 20.098 1.00 34.02 H new ATOM 0 HG2 PRO A 110 -9.646 -1.768 17.686 1.00 75.32 H new ATOM 0 HG3 PRO A 110 -11.364 -1.972 17.969 1.00 75.32 H new ATOM 0 HD2 PRO A 110 -10.402 0.061 16.433 1.00 0.22 H new ATOM 0 HD3 PRO A 110 -11.861 0.246 17.387 1.00 0.22 H new ATOM 1680 N PRO A 111 -7.623 0.155 20.893 1.00 2.11 N ATOM 1681 CA PRO A 111 -6.184 0.016 21.134 1.00 24.30 C ATOM 1682 C PRO A 111 -5.652 -1.345 20.697 1.00 43.23 C ATOM 1683 O PRO A 111 -6.382 -2.336 20.691 1.00 54.43 O ATOM 1684 CB PRO A 111 -6.061 0.175 22.651 1.00 1.35 C ATOM 1685 CG PRO A 111 -7.390 -0.235 23.184 1.00 13.12 C ATOM 1686 CD PRO A 111 -8.397 0.175 22.145 1.00 12.34 C ATOM 0 HA PRO A 111 -5.604 0.744 20.567 1.00 24.30 H new ATOM 0 HB2 PRO A 111 -5.264 -0.451 23.051 1.00 1.35 H new ATOM 0 HB3 PRO A 111 -5.826 1.204 22.923 1.00 1.35 H new ATOM 0 HG2 PRO A 111 -7.425 -1.310 23.359 1.00 13.12 H new ATOM 0 HG3 PRO A 111 -7.594 0.250 24.138 1.00 13.12 H new ATOM 0 HD2 PRO A 111 -9.240 -0.516 22.108 1.00 12.34 H new ATOM 0 HD3 PRO A 111 -8.805 1.165 22.349 1.00 12.34 H new ATOM 1694 N VAL A 112 -4.374 -1.386 20.331 1.00 33.25 N ATOM 1695 CA VAL A 112 -3.744 -2.626 19.894 1.00 20.11 C ATOM 1696 C VAL A 112 -2.474 -2.907 20.689 1.00 62.01 C ATOM 1697 O VAL A 112 -1.502 -2.155 20.612 1.00 61.21 O ATOM 1698 CB VAL A 112 -3.398 -2.581 18.394 1.00 72.12 C ATOM 1699 CG1 VAL A 112 -2.860 -3.926 17.929 1.00 14.20 C ATOM 1700 CG2 VAL A 112 -4.617 -2.174 17.579 1.00 65.33 C ATOM 0 H VAL A 112 -3.755 -0.575 20.329 1.00 33.25 H new ATOM 0 HA VAL A 112 -4.463 -3.426 20.070 1.00 20.11 H new ATOM 0 HB VAL A 112 -2.620 -1.833 18.240 1.00 72.12 H new ATOM 0 HG11 VAL A 112 -2.621 -3.875 16.867 1.00 14.20 H new ATOM 0 HG12 VAL A 112 -1.960 -4.172 18.492 1.00 14.20 H new ATOM 0 HG13 VAL A 112 -3.613 -4.696 18.095 1.00 14.20 H new ATOM 0 HG21 VAL A 112 -4.355 -2.147 16.521 1.00 65.33 H new ATOM 0 HG22 VAL A 112 -5.418 -2.897 17.736 1.00 65.33 H new ATOM 0 HG23 VAL A 112 -4.953 -1.186 17.895 1.00 65.33 H new ATOM 1710 N ASP A 113 -2.488 -3.994 21.452 1.00 75.30 N ATOM 1711 CA ASP A 113 -1.337 -4.376 22.261 1.00 63.53 C ATOM 1712 C ASP A 113 -0.541 -5.487 21.582 1.00 20.34 C ATOM 1713 O ASP A 113 -1.113 -6.414 21.007 1.00 20.14 O ATOM 1714 CB ASP A 113 -1.790 -4.831 23.649 1.00 63.31 C ATOM 1715 CG ASP A 113 -2.371 -6.231 23.638 1.00 21.54 C ATOM 1716 OD1 ASP A 113 -3.588 -6.367 23.392 1.00 22.30 O ATOM 1717 OD2 ASP A 113 -1.609 -7.192 23.876 1.00 43.43 O ATOM 0 H ASP A 113 -3.285 -4.627 21.527 1.00 75.30 H new ATOM 0 HA ASP A 113 -0.692 -3.503 22.366 1.00 63.53 H new ATOM 0 HB2 ASP A 113 -0.942 -4.798 24.334 1.00 63.31 H new ATOM 0 HB3 ASP A 113 -2.536 -4.134 24.031 1.00 63.31 H new ATOM 1722 N THR A 114 0.783 -5.388 21.652 1.00 11.42 N ATOM 1723 CA THR A 114 1.657 -6.382 21.043 1.00 5.23 C ATOM 1724 C THR A 114 2.927 -6.575 21.865 1.00 14.23 C ATOM 1725 O THR A 114 3.612 -5.609 22.201 1.00 33.51 O ATOM 1726 CB THR A 114 2.045 -5.984 19.607 1.00 64.14 C ATOM 1727 OG1 THR A 114 1.446 -4.729 19.267 1.00 52.11 O ATOM 1728 CG2 THR A 114 1.604 -7.048 18.613 1.00 65.02 C ATOM 0 H THR A 114 1.273 -4.629 22.125 1.00 11.42 H new ATOM 0 HA THR A 114 1.099 -7.318 21.015 1.00 5.23 H new ATOM 0 HB THR A 114 3.130 -5.892 19.560 1.00 64.14 H new ATOM 0 HG1 THR A 114 1.979 -4.290 18.572 1.00 52.11 H new ATOM 0 HG21 THR A 114 1.889 -6.745 17.605 1.00 65.02 H new ATOM 0 HG22 THR A 114 2.085 -7.995 18.857 1.00 65.02 H new ATOM 0 HG23 THR A 114 0.522 -7.167 18.664 1.00 65.02 H new ATOM 1736 N GLU A 115 3.234 -7.828 22.185 1.00 1.03 N ATOM 1737 CA GLU A 115 4.422 -8.146 22.969 1.00 61.03 C ATOM 1738 C GLU A 115 5.512 -8.747 22.085 1.00 12.51 C ATOM 1739 O GLU A 115 5.227 -9.506 21.159 1.00 41.13 O ATOM 1740 CB GLU A 115 4.071 -9.119 24.097 1.00 42.35 C ATOM 1741 CG GLU A 115 3.287 -8.479 25.230 1.00 41.00 C ATOM 1742 CD GLU A 115 1.831 -8.251 24.876 1.00 55.45 C ATOM 1743 OE1 GLU A 115 1.176 -9.206 24.409 1.00 31.11 O ATOM 1744 OE2 GLU A 115 1.345 -7.115 25.065 1.00 25.41 O ATOM 0 H GLU A 115 2.677 -8.639 21.914 1.00 1.03 H new ATOM 0 HA GLU A 115 4.799 -7.220 23.402 1.00 61.03 H new ATOM 0 HB2 GLU A 115 3.490 -9.945 23.686 1.00 42.35 H new ATOM 0 HB3 GLU A 115 4.991 -9.545 24.498 1.00 42.35 H new ATOM 0 HG2 GLU A 115 3.347 -9.115 26.113 1.00 41.00 H new ATOM 0 HG3 GLU A 115 3.747 -7.526 25.492 1.00 41.00 H new ATOM 1751 N PHE A 116 6.761 -8.400 22.378 1.00 32.13 N ATOM 1752 CA PHE A 116 7.894 -8.903 21.610 1.00 11.23 C ATOM 1753 C PHE A 116 8.948 -9.512 22.531 1.00 55.22 C ATOM 1754 O PHE A 116 9.391 -8.879 23.489 1.00 40.51 O ATOM 1755 CB PHE A 116 8.515 -7.777 20.781 1.00 53.14 C ATOM 1756 CG PHE A 116 7.554 -7.143 19.816 1.00 35.10 C ATOM 1757 CD1 PHE A 116 6.900 -7.909 18.864 1.00 22.33 C ATOM 1758 CD2 PHE A 116 7.304 -5.781 19.861 1.00 52.13 C ATOM 1759 CE1 PHE A 116 6.015 -7.329 17.975 1.00 33.34 C ATOM 1760 CE2 PHE A 116 6.419 -5.195 18.975 1.00 62.52 C ATOM 1761 CZ PHE A 116 5.775 -5.970 18.030 1.00 31.32 C ATOM 0 H PHE A 116 7.014 -7.773 23.141 1.00 32.13 H new ATOM 0 HA PHE A 116 7.530 -9.681 20.939 1.00 11.23 H new ATOM 0 HB2 PHE A 116 8.900 -7.011 21.454 1.00 53.14 H new ATOM 0 HB3 PHE A 116 9.367 -8.172 20.227 1.00 53.14 H new ATOM 0 HD1 PHE A 116 7.084 -8.972 18.816 1.00 22.33 H new ATOM 0 HD2 PHE A 116 7.806 -5.170 20.597 1.00 52.13 H new ATOM 0 HE1 PHE A 116 5.512 -7.938 17.238 1.00 33.34 H new ATOM 0 HE2 PHE A 116 6.231 -4.132 19.022 1.00 62.52 H new ATOM 0 HZ PHE A 116 5.085 -5.514 17.335 1.00 31.32 H new ATOM 1771 N ASP A 117 9.343 -10.745 22.233 1.00 12.41 N ATOM 1772 CA ASP A 117 10.345 -11.440 23.033 1.00 75.34 C ATOM 1773 C ASP A 117 11.753 -11.099 22.556 1.00 30.21 C ATOM 1774 O ASP A 117 12.130 -11.415 21.427 1.00 1.32 O ATOM 1775 CB ASP A 117 10.122 -12.952 22.965 1.00 60.00 C ATOM 1776 CG ASP A 117 9.014 -13.416 23.890 1.00 61.11 C ATOM 1777 OD1 ASP A 117 9.290 -13.616 25.091 1.00 34.32 O ATOM 1778 OD2 ASP A 117 7.872 -13.580 23.412 1.00 33.13 O ATOM 0 H ASP A 117 8.985 -11.283 21.444 1.00 12.41 H new ATOM 0 HA ASP A 117 10.242 -11.111 24.067 1.00 75.34 H new ATOM 0 HB2 ASP A 117 9.879 -13.235 21.941 1.00 60.00 H new ATOM 0 HB3 ASP A 117 11.048 -13.465 23.226 1.00 60.00 H new ATOM 1783 N ILE A 118 12.525 -10.453 23.423 1.00 11.40 N ATOM 1784 CA ILE A 118 13.891 -10.069 23.090 1.00 1.23 C ATOM 1785 C ILE A 118 14.895 -11.073 23.646 1.00 1.12 C ATOM 1786 O ILE A 118 14.927 -11.334 24.849 1.00 71.31 O ATOM 1787 CB ILE A 118 14.230 -8.667 23.632 1.00 60.41 C ATOM 1788 CG1 ILE A 118 13.068 -7.704 23.379 1.00 23.41 C ATOM 1789 CG2 ILE A 118 15.507 -8.146 22.990 1.00 52.12 C ATOM 1790 CD1 ILE A 118 12.734 -7.533 21.914 1.00 15.20 C ATOM 0 H ILE A 118 12.228 -10.185 24.361 1.00 11.40 H new ATOM 0 HA ILE A 118 13.959 -10.055 22.002 1.00 1.23 H new ATOM 0 HB ILE A 118 14.390 -8.738 24.708 1.00 60.41 H new ATOM 0 HG12 ILE A 118 12.185 -8.067 23.905 1.00 23.41 H new ATOM 0 HG13 ILE A 118 13.314 -6.731 23.803 1.00 23.41 H new ATOM 0 HG21 ILE A 118 15.734 -7.155 23.383 1.00 52.12 H new ATOM 0 HG22 ILE A 118 16.331 -8.823 23.217 1.00 52.12 H new ATOM 0 HG23 ILE A 118 15.373 -8.086 21.910 1.00 52.12 H new ATOM 0 HD11 ILE A 118 11.901 -6.837 21.809 1.00 15.20 H new ATOM 0 HD12 ILE A 118 13.603 -7.141 21.386 1.00 15.20 H new ATOM 0 HD13 ILE A 118 12.456 -8.498 21.489 1.00 15.20 H new ATOM 1802 N PHE A 119 15.716 -11.632 22.763 1.00 55.12 N ATOM 1803 CA PHE A 119 16.722 -12.607 23.165 1.00 63.20 C ATOM 1804 C PHE A 119 17.958 -12.512 22.275 1.00 71.03 C ATOM 1805 O PHE A 119 18.693 -13.484 22.108 1.00 72.41 O ATOM 1806 CB PHE A 119 16.144 -14.023 23.105 1.00 5.31 C ATOM 1807 CG PHE A 119 15.205 -14.238 21.953 1.00 30.32 C ATOM 1808 CD1 PHE A 119 15.589 -13.921 20.660 1.00 31.42 C ATOM 1809 CD2 PHE A 119 13.938 -14.757 22.164 1.00 74.55 C ATOM 1810 CE1 PHE A 119 14.727 -14.119 19.598 1.00 71.02 C ATOM 1811 CE2 PHE A 119 13.072 -14.958 21.105 1.00 14.42 C ATOM 1812 CZ PHE A 119 13.466 -14.637 19.821 1.00 42.20 C ATOM 0 H PHE A 119 15.704 -11.426 21.764 1.00 55.12 H new ATOM 0 HA PHE A 119 17.017 -12.386 24.191 1.00 63.20 H new ATOM 0 HB2 PHE A 119 16.963 -14.739 23.034 1.00 5.31 H new ATOM 0 HB3 PHE A 119 15.618 -14.232 24.036 1.00 5.31 H new ATOM 0 HD1 PHE A 119 16.573 -13.515 20.480 1.00 31.42 H new ATOM 0 HD2 PHE A 119 13.623 -15.007 23.166 1.00 74.55 H new ATOM 0 HE1 PHE A 119 15.039 -13.869 18.595 1.00 71.02 H new ATOM 0 HE2 PHE A 119 12.088 -15.366 21.282 1.00 14.42 H new ATOM 0 HZ PHE A 119 12.790 -14.791 18.993 1.00 42.20 H new ATOM 1822 N GLY A 120 18.180 -11.332 21.704 1.00 15.41 N ATOM 1823 CA GLY A 120 19.326 -11.130 20.837 1.00 33.31 C ATOM 1824 C GLY A 120 19.011 -11.421 19.383 1.00 22.41 C ATOM 1825 O GLY A 120 18.742 -12.564 19.016 1.00 33.35 O ATOM 0 H GLY A 120 17.586 -10.512 21.827 1.00 15.41 H new ATOM 0 HA2 GLY A 120 19.672 -10.101 20.932 1.00 33.31 H new ATOM 0 HA3 GLY A 120 20.143 -11.773 21.164 1.00 33.31 H new ATOM 1829 N ASN A 121 19.044 -10.384 18.553 1.00 70.00 N ATOM 1830 CA ASN A 121 18.758 -10.534 17.131 1.00 52.12 C ATOM 1831 C ASN A 121 18.797 -9.183 16.423 1.00 73.02 C ATOM 1832 O ASN A 121 19.448 -9.030 15.390 1.00 1.14 O ATOM 1833 CB ASN A 121 17.389 -11.188 16.931 1.00 41.22 C ATOM 1834 CG ASN A 121 16.561 -10.484 15.874 1.00 52.44 C ATOM 1835 OD1 ASN A 121 15.850 -9.522 16.165 1.00 11.30 O ATOM 1836 ND2 ASN A 121 16.649 -10.961 14.638 1.00 61.43 N ATOM 0 H ASN A 121 19.266 -9.431 18.840 1.00 70.00 H new ATOM 0 HA ASN A 121 19.526 -11.174 16.697 1.00 52.12 H new ATOM 0 HB2 ASN A 121 17.526 -12.231 16.646 1.00 41.22 H new ATOM 0 HB3 ASN A 121 16.846 -11.184 17.876 1.00 41.22 H new ATOM 0 HD21 ASN A 121 16.115 -10.528 13.885 1.00 61.43 H new ATOM 0 HD22 ASN A 121 17.251 -11.761 14.442 1.00 61.43 H new ATOM 1843 N GLY A 122 18.094 -8.205 16.986 1.00 2.15 N ATOM 1844 CA GLY A 122 18.062 -6.879 16.396 1.00 21.44 C ATOM 1845 C GLY A 122 16.663 -6.459 15.991 1.00 2.24 C ATOM 1846 O GLY A 122 15.959 -5.799 16.756 1.00 35.12 O ATOM 0 H GLY A 122 17.546 -8.307 17.840 1.00 2.15 H new ATOM 0 HA2 GLY A 122 18.463 -6.158 17.108 1.00 21.44 H new ATOM 0 HA3 GLY A 122 18.712 -6.858 15.521 1.00 21.44 H new ATOM 1850 N THR A 123 16.259 -6.839 14.784 1.00 73.55 N ATOM 1851 CA THR A 123 14.936 -6.495 14.277 1.00 62.52 C ATOM 1852 C THR A 123 13.901 -7.535 14.691 1.00 62.10 C ATOM 1853 O THR A 123 14.111 -8.736 14.520 1.00 31.34 O ATOM 1854 CB THR A 123 14.937 -6.372 12.741 1.00 25.43 C ATOM 1855 OG1 THR A 123 16.281 -6.415 12.248 1.00 51.14 O ATOM 1856 CG2 THR A 123 14.271 -5.077 12.302 1.00 60.53 C ATOM 0 H THR A 123 16.829 -7.386 14.138 1.00 73.55 H new ATOM 0 HA THR A 123 14.672 -5.531 14.711 1.00 62.52 H new ATOM 0 HB THR A 123 14.373 -7.209 12.330 1.00 25.43 H new ATOM 0 HG1 THR A 123 16.274 -6.338 11.271 1.00 51.14 H new ATOM 0 HG21 THR A 123 14.283 -5.012 11.214 1.00 60.53 H new ATOM 0 HG22 THR A 123 13.240 -5.060 12.655 1.00 60.53 H new ATOM 0 HG23 THR A 123 14.812 -4.229 12.722 1.00 60.53 H new ATOM 1864 N TYR A 124 12.784 -7.066 15.235 1.00 32.21 N ATOM 1865 CA TYR A 124 11.716 -7.956 15.675 1.00 21.24 C ATOM 1866 C TYR A 124 10.370 -7.513 15.111 1.00 12.33 C ATOM 1867 O TYR A 124 10.107 -6.318 14.965 1.00 25.43 O ATOM 1868 CB TYR A 124 11.654 -7.995 17.203 1.00 34.22 C ATOM 1869 CG TYR A 124 12.936 -8.467 17.850 1.00 63.22 C ATOM 1870 CD1 TYR A 124 14.040 -7.628 17.943 1.00 11.11 C ATOM 1871 CD2 TYR A 124 13.045 -9.752 18.366 1.00 23.35 C ATOM 1872 CE1 TYR A 124 15.214 -8.055 18.532 1.00 2.14 C ATOM 1873 CE2 TYR A 124 14.215 -10.187 18.959 1.00 60.23 C ATOM 1874 CZ TYR A 124 15.297 -9.335 19.039 1.00 34.11 C ATOM 1875 OH TYR A 124 16.464 -9.765 19.627 1.00 21.11 O ATOM 0 H TYR A 124 12.594 -6.075 15.382 1.00 32.21 H new ATOM 0 HA TYR A 124 11.934 -8.956 15.301 1.00 21.24 H new ATOM 0 HB2 TYR A 124 11.416 -6.998 17.574 1.00 34.22 H new ATOM 0 HB3 TYR A 124 10.840 -8.652 17.508 1.00 34.22 H new ATOM 0 HD1 TYR A 124 13.979 -6.625 17.548 1.00 11.11 H new ATOM 0 HD2 TYR A 124 12.201 -10.423 18.303 1.00 23.35 H new ATOM 0 HE1 TYR A 124 16.063 -7.390 18.595 1.00 2.14 H new ATOM 0 HE2 TYR A 124 14.282 -11.189 19.358 1.00 60.23 H new ATOM 0 HH TYR A 124 16.383 -10.713 19.860 1.00 21.11 H new ATOM 1885 N HIS A 125 9.519 -8.484 14.796 1.00 14.02 N ATOM 1886 CA HIS A 125 8.198 -8.195 14.249 1.00 33.20 C ATOM 1887 C HIS A 125 7.160 -9.173 14.791 1.00 34.11 C ATOM 1888 O HIS A 125 7.471 -10.306 15.158 1.00 31.34 O ATOM 1889 CB HIS A 125 8.229 -8.262 12.722 1.00 44.42 C ATOM 1890 CG HIS A 125 9.411 -7.567 12.117 1.00 75.44 C ATOM 1891 ND1 HIS A 125 10.405 -8.233 11.432 1.00 62.21 N ATOM 1892 CD2 HIS A 125 9.752 -6.258 12.094 1.00 2.15 C ATOM 1893 CE1 HIS A 125 11.309 -7.363 11.016 1.00 34.44 C ATOM 1894 NE2 HIS A 125 10.936 -6.157 11.405 1.00 34.41 N ATOM 0 H HIS A 125 9.720 -9.477 14.910 1.00 14.02 H new ATOM 0 HA HIS A 125 7.918 -7.187 14.556 1.00 33.20 H new ATOM 0 HB2 HIS A 125 8.234 -9.307 12.412 1.00 44.42 H new ATOM 0 HB3 HIS A 125 7.315 -7.817 12.328 1.00 44.42 H new ATOM 0 HD2 HIS A 125 9.197 -5.444 12.535 1.00 2.15 H new ATOM 0 HE1 HIS A 125 12.201 -7.598 10.454 1.00 34.44 H new ATOM 0 HE2 HIS A 125 11.444 -5.292 11.223 1.00 34.41 H new ATOM 1902 N PRO A 126 5.896 -8.727 14.844 1.00 51.43 N ATOM 1903 CA PRO A 126 4.787 -9.547 15.340 1.00 54.43 C ATOM 1904 C PRO A 126 4.446 -10.693 14.394 1.00 34.43 C ATOM 1905 O PRO A 126 4.567 -10.562 13.177 1.00 61.23 O ATOM 1906 CB PRO A 126 3.622 -8.556 15.421 1.00 62.31 C ATOM 1907 CG PRO A 126 3.953 -7.500 14.424 1.00 41.20 C ATOM 1908 CD PRO A 126 5.453 -7.387 14.423 1.00 74.05 C ATOM 0 HA PRO A 126 5.026 -10.024 16.290 1.00 54.43 H new ATOM 0 HB2 PRO A 126 2.674 -9.039 15.186 1.00 62.31 H new ATOM 0 HB3 PRO A 126 3.527 -8.138 16.423 1.00 62.31 H new ATOM 0 HG2 PRO A 126 3.581 -7.767 13.435 1.00 41.20 H new ATOM 0 HG3 PRO A 126 3.490 -6.550 14.693 1.00 41.20 H new ATOM 0 HD2 PRO A 126 5.836 -7.129 13.436 1.00 74.05 H new ATOM 0 HD3 PRO A 126 5.798 -6.615 15.111 1.00 74.05 H new ATOM 1916 N GLN A 127 4.018 -11.816 14.963 1.00 2.02 N ATOM 1917 CA GLN A 127 3.660 -12.986 14.170 1.00 41.44 C ATOM 1918 C GLN A 127 2.147 -13.167 14.120 1.00 34.54 C ATOM 1919 O GLN A 127 1.637 -14.274 14.302 1.00 52.25 O ATOM 1920 CB GLN A 127 4.318 -14.240 14.746 1.00 30.44 C ATOM 1921 CG GLN A 127 3.881 -14.558 16.167 1.00 3.25 C ATOM 1922 CD GLN A 127 4.990 -15.178 16.994 1.00 65.20 C ATOM 1923 OE1 GLN A 127 5.939 -14.500 17.390 1.00 12.01 O ATOM 1924 NE2 GLN A 127 4.877 -16.474 17.259 1.00 23.42 N ATOM 0 H GLN A 127 3.911 -11.940 15.970 1.00 2.02 H new ATOM 0 HA GLN A 127 4.022 -12.830 13.154 1.00 41.44 H new ATOM 0 HB2 GLN A 127 4.085 -15.090 14.104 1.00 30.44 H new ATOM 0 HB3 GLN A 127 5.400 -14.114 14.727 1.00 30.44 H new ATOM 0 HG2 GLN A 127 3.540 -13.643 16.651 1.00 3.25 H new ATOM 0 HG3 GLN A 127 3.031 -15.239 16.138 1.00 3.25 H new ATOM 0 HE21 GLN A 127 4.074 -16.998 16.911 1.00 23.42 H new ATOM 0 HE22 GLN A 127 5.593 -16.946 17.811 1.00 23.42 H new ATOM 1933 N THR A 128 1.432 -12.074 13.875 1.00 53.14 N ATOM 1934 CA THR A 128 -0.023 -12.112 13.803 1.00 35.12 C ATOM 1935 C THR A 128 -0.506 -12.026 12.360 1.00 44.54 C ATOM 1936 O THR A 128 -1.592 -12.500 12.028 1.00 71.44 O ATOM 1937 CB THR A 128 -0.656 -10.965 14.613 1.00 0.14 C ATOM 1938 OG1 THR A 128 0.296 -9.910 14.795 1.00 73.52 O ATOM 1939 CG2 THR A 128 -1.136 -11.460 15.969 1.00 30.51 C ATOM 0 H THR A 128 1.837 -11.150 13.723 1.00 53.14 H new ATOM 0 HA THR A 128 -0.335 -13.065 14.231 1.00 35.12 H new ATOM 0 HB THR A 128 -1.514 -10.588 14.057 1.00 0.14 H new ATOM 0 HG1 THR A 128 -0.115 -9.184 15.309 1.00 73.52 H new ATOM 0 HG21 THR A 128 -1.579 -10.632 16.523 1.00 30.51 H new ATOM 0 HG22 THR A 128 -1.882 -12.242 15.828 1.00 30.51 H new ATOM 0 HG23 THR A 128 -0.292 -11.861 16.530 1.00 30.51 H new TER 1947 THR A 128