USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 975 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 23 CYS SG : rot 140:sc= -0.223! USER MOD Set 1.2: A 97 CYS SG : rot -165:sc= -2.97! USER MOD Set 2.1: A 83 GLN : amide:sc= 0.0189 X(o=0.019,f=-0.17) USER MOD Set 2.2: A 85 ASN : amide:sc= 0 K(o=0.019,f=-1.1) USER MOD Set 3.1: A 77 LYS NZ :NH3+ -107:sc= 0.887 (180deg=-0.188) USER MOD Set 3.2: A 81 TYR OH : rot 180:sc= 0.0849 USER MOD Set 4.1: A 14 GLN : amide:sc= -4.46! K(o=-4.5!,f=-2.5) USER MOD Set 4.2: A 126 HIS : no HD1:sc=-0.00487 K(o=-4.5,f=-2.5) USER MOD Set 5.1: A 8 SER OG : rot 56:sc= 0.057 USER MOD Set 5.2: A 22 SER OG : rot 180:sc= 0.0604 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 40:sc= -1.12 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.98! C(o=-2!,f=-4.3!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.061 X(o=0.061,f=-0.23) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 130:sc= 0 USER MOD Single : A 59 THR OG1 : rot 45:sc= 0.137 USER MOD Single : A 60 TYR OH : rot 15:sc= -0.872 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -132:sc= 0.856 (180deg=0.00515) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 78 ASN : amide:sc= -0.42 K(o=-0.42,f=-5.3!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -145:sc= -0.679 (180deg=-2.54!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 79:sc= 0.0999 USER MOD Single : A 95 TYR OH : rot 178:sc= 0.497 USER MOD Single : A 104 SER OG : rot 180:sc= -0.11 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 68:sc= 0.0749 USER MOD Single : A 112 TYR OH : rot 166:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0.283 K(o=0.28,f=-0.39) USER MOD Single : A 117 THR OG1 : rot 100:sc= 0.428 USER MOD Single : A 118 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.22) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 150:sc= -1.54 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.0013) USER MOD Single : A 128 HIS : no HE2:sc= -1.14 X(o=-1.1,f=-1.3) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0.0762 K(o=0.076,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.206 -0.746 -2.163 1.00 0.00 N ATOM 2 CA MET A 1 0.880 -0.966 -2.792 1.00 0.00 C ATOM 3 C MET A 1 0.563 0.182 -3.768 1.00 0.00 C ATOM 4 O MET A 1 0.695 0.025 -4.984 1.00 0.00 O ATOM 5 CB MET A 1 -0.218 -1.120 -1.700 1.00 0.00 C ATOM 6 CG MET A 1 -1.652 -1.317 -2.219 1.00 0.00 C ATOM 7 SD MET A 1 -1.863 -2.831 -3.182 1.00 0.00 S ATOM 8 CE MET A 1 -3.642 -2.838 -3.439 1.00 0.00 C ATOM 0 H1 MET A 1 2.412 -1.525 -1.506 1.00 0.00 H new ATOM 0 H2 MET A 1 2.939 -0.712 -2.900 1.00 0.00 H new ATOM 0 H3 MET A 1 2.198 0.154 -1.641 1.00 0.00 H new ATOM 0 HA MET A 1 0.901 -1.893 -3.365 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.040 -1.970 -1.069 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.200 -0.234 -1.065 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.338 -1.335 -1.372 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.929 -0.461 -2.835 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.922 -3.717 -4.020 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.149 -2.864 -2.474 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.935 -1.937 -3.979 1.00 0.00 H new ATOM 20 N GLN A 2 0.188 1.356 -3.228 1.00 0.00 N ATOM 21 CA GLN A 2 -0.222 2.509 -4.047 1.00 0.00 C ATOM 22 C GLN A 2 1.006 3.155 -4.706 1.00 0.00 C ATOM 23 O GLN A 2 1.756 3.893 -4.058 1.00 0.00 O ATOM 24 CB GLN A 2 -1.010 3.539 -3.198 1.00 0.00 C ATOM 25 CG GLN A 2 -2.289 2.971 -2.549 1.00 0.00 C ATOM 26 CD GLN A 2 -3.107 4.017 -1.780 1.00 0.00 C ATOM 27 OE1 GLN A 2 -2.563 4.983 -1.241 1.00 0.00 O ATOM 28 NE2 GLN A 2 -4.416 3.822 -1.719 1.00 0.00 N ATOM 0 H GLN A 2 0.161 1.530 -2.223 1.00 0.00 H new ATOM 0 HA GLN A 2 -0.887 2.156 -4.835 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.357 3.923 -2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.281 4.384 -3.831 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.915 2.532 -3.325 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.013 2.166 -1.868 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.833 3.011 -2.177 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.007 4.482 -1.214 1.00 0.00 H new ATOM 37 N LEU A 3 1.224 2.812 -5.989 1.00 0.00 N ATOM 38 CA LEU A 3 2.342 3.336 -6.781 1.00 0.00 C ATOM 39 C LEU A 3 2.064 4.829 -7.090 1.00 0.00 C ATOM 40 O LEU A 3 1.182 5.160 -7.883 1.00 0.00 O ATOM 41 CB LEU A 3 2.514 2.461 -8.077 1.00 0.00 C ATOM 42 CG LEU A 3 3.848 2.578 -8.906 1.00 0.00 C ATOM 43 CD1 LEU A 3 3.955 3.900 -9.687 1.00 0.00 C ATOM 44 CD2 LEU A 3 5.090 2.342 -8.017 1.00 0.00 C ATOM 0 H LEU A 3 0.627 2.163 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 3 3.283 3.280 -6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.397 1.417 -7.787 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.688 2.700 -8.747 1.00 0.00 H new ATOM 0 HG LEU A 3 3.815 1.784 -9.652 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.895 3.922 -10.238 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.122 3.978 -10.386 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.923 4.738 -8.990 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.992 2.430 -8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.113 3.085 -7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.041 1.344 -7.581 1.00 0.00 H new ATOM 56 N GLN A 4 2.831 5.696 -6.425 1.00 0.00 N ATOM 57 CA GLN A 4 2.800 7.155 -6.592 1.00 0.00 C ATOM 58 C GLN A 4 3.579 7.571 -7.849 1.00 0.00 C ATOM 59 O GLN A 4 4.559 6.916 -8.228 1.00 0.00 O ATOM 60 CB GLN A 4 3.437 7.816 -5.342 1.00 0.00 C ATOM 61 CG GLN A 4 2.806 7.387 -4.003 1.00 0.00 C ATOM 62 CD GLN A 4 3.584 7.891 -2.790 1.00 0.00 C ATOM 63 OE1 GLN A 4 3.341 8.987 -2.297 1.00 0.00 O ATOM 64 NE2 GLN A 4 4.526 7.095 -2.307 1.00 0.00 N ATOM 0 H GLN A 4 3.515 5.394 -5.731 1.00 0.00 H new ATOM 0 HA GLN A 4 1.766 7.481 -6.704 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.500 7.577 -5.322 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.356 8.899 -5.438 1.00 0.00 H new ATOM 0 HG2 GLN A 4 1.783 7.761 -3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 4 2.750 6.299 -3.966 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.701 6.189 -2.742 1.00 0.00 H new ATOM 0 HE22 GLN A 4 5.076 7.388 -1.500 1.00 0.00 H new ATOM 73 N LEU A 5 3.146 8.675 -8.466 1.00 0.00 N ATOM 74 CA LEU A 5 3.772 9.248 -9.668 1.00 0.00 C ATOM 75 C LEU A 5 4.128 10.716 -9.387 1.00 0.00 C ATOM 76 O LEU A 5 3.241 11.521 -9.056 1.00 0.00 O ATOM 77 CB LEU A 5 2.796 9.147 -10.870 1.00 0.00 C ATOM 78 CG LEU A 5 2.406 7.705 -11.329 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.257 7.737 -12.361 1.00 0.00 C ATOM 80 CD2 LEU A 5 3.638 6.945 -11.881 1.00 0.00 C ATOM 0 H LEU A 5 2.338 9.206 -8.141 1.00 0.00 H new ATOM 0 HA LEU A 5 4.679 8.696 -9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.882 9.683 -10.614 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.243 9.666 -11.718 1.00 0.00 H new ATOM 0 HG LEU A 5 2.046 7.163 -10.455 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.009 6.719 -12.661 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.381 8.208 -11.915 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.570 8.307 -13.236 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.338 5.945 -12.193 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.046 7.485 -12.736 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.398 6.870 -11.103 1.00 0.00 H new ATOM 92 N VAL A 6 5.425 11.057 -9.485 1.00 0.00 N ATOM 93 CA VAL A 6 5.916 12.435 -9.286 1.00 0.00 C ATOM 94 C VAL A 6 6.598 12.917 -10.580 1.00 0.00 C ATOM 95 O VAL A 6 7.746 12.555 -10.853 1.00 0.00 O ATOM 96 CB VAL A 6 6.919 12.514 -8.064 1.00 0.00 C ATOM 97 CG1 VAL A 6 7.449 13.959 -7.847 1.00 0.00 C ATOM 98 CG2 VAL A 6 6.262 11.959 -6.772 1.00 0.00 C ATOM 0 H VAL A 6 6.163 10.387 -9.704 1.00 0.00 H new ATOM 0 HA VAL A 6 5.071 13.083 -9.055 1.00 0.00 H new ATOM 0 HB VAL A 6 7.778 11.887 -8.304 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.134 13.972 -6.999 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.973 14.293 -8.743 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.612 14.627 -7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.971 12.024 -5.947 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.374 12.545 -6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.979 10.918 -6.926 1.00 0.00 H new ATOM 108 N GLU A 7 5.873 13.739 -11.363 1.00 0.00 N ATOM 109 CA GLU A 7 6.368 14.293 -12.642 1.00 0.00 C ATOM 110 C GLU A 7 7.069 15.636 -12.412 1.00 0.00 C ATOM 111 O GLU A 7 6.740 16.370 -11.471 1.00 0.00 O ATOM 112 CB GLU A 7 5.227 14.469 -13.693 1.00 0.00 C ATOM 113 CG GLU A 7 4.483 13.169 -14.100 1.00 0.00 C ATOM 114 CD GLU A 7 3.274 12.808 -13.202 1.00 0.00 C ATOM 115 OE1 GLU A 7 2.132 12.836 -13.691 1.00 0.00 O ATOM 116 OE2 GLU A 7 3.454 12.514 -12.011 1.00 0.00 O ATOM 0 H GLU A 7 4.927 14.039 -11.128 1.00 0.00 H new ATOM 0 HA GLU A 7 7.081 13.572 -13.043 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.497 15.175 -13.296 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.651 14.920 -14.590 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.137 13.271 -15.128 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.191 12.341 -14.083 1.00 0.00 H new ATOM 123 N SER A 8 8.011 15.959 -13.310 1.00 0.00 N ATOM 124 CA SER A 8 8.846 17.167 -13.232 1.00 0.00 C ATOM 125 C SER A 8 9.539 17.403 -14.585 1.00 0.00 C ATOM 126 O SER A 8 9.647 16.481 -15.403 1.00 0.00 O ATOM 127 CB SER A 8 9.880 17.022 -12.089 1.00 0.00 C ATOM 128 OG SER A 8 10.631 15.823 -12.219 1.00 0.00 O ATOM 0 H SER A 8 8.217 15.379 -14.124 1.00 0.00 H new ATOM 0 HA SER A 8 8.221 18.032 -13.011 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.555 17.878 -12.096 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.366 17.029 -11.128 1.00 0.00 H new ATOM 0 HG SER A 8 11.053 15.795 -13.103 1.00 0.00 H new ATOM 134 N GLY A 9 10.008 18.641 -14.814 1.00 0.00 N ATOM 135 CA GLY A 9 10.704 18.999 -16.062 1.00 0.00 C ATOM 136 C GLY A 9 9.911 19.959 -16.927 1.00 0.00 C ATOM 137 O GLY A 9 10.381 20.362 -17.994 1.00 0.00 O ATOM 0 H GLY A 9 9.918 19.411 -14.151 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.667 19.448 -15.819 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.910 18.092 -16.630 1.00 0.00 H new ATOM 141 N GLY A 10 8.706 20.321 -16.465 1.00 0.00 N ATOM 142 CA GLY A 10 7.833 21.239 -17.186 1.00 0.00 C ATOM 143 C GLY A 10 8.246 22.693 -17.011 1.00 0.00 C ATOM 144 O GLY A 10 8.264 23.201 -15.884 1.00 0.00 O ATOM 0 H GLY A 10 8.316 19.984 -15.585 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.842 20.987 -18.246 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.808 21.111 -16.837 1.00 0.00 H new ATOM 148 N GLY A 11 8.585 23.354 -18.131 1.00 0.00 N ATOM 149 CA GLY A 11 8.962 24.771 -18.138 1.00 0.00 C ATOM 150 C GLY A 11 8.560 25.441 -19.429 1.00 0.00 C ATOM 151 O GLY A 11 8.004 24.789 -20.331 1.00 0.00 O ATOM 0 H GLY A 11 8.604 22.919 -19.053 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.487 25.280 -17.299 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.039 24.863 -17.998 1.00 0.00 H new ATOM 155 N LEU A 12 8.823 26.753 -19.520 1.00 0.00 N ATOM 156 CA LEU A 12 8.525 27.526 -20.721 1.00 0.00 C ATOM 157 C LEU A 12 9.655 27.345 -21.737 1.00 0.00 C ATOM 158 O LEU A 12 10.809 27.709 -21.471 1.00 0.00 O ATOM 159 CB LEU A 12 8.277 29.023 -20.391 1.00 0.00 C ATOM 160 CG LEU A 12 7.617 29.912 -21.517 1.00 0.00 C ATOM 161 CD1 LEU A 12 6.945 31.165 -20.913 1.00 0.00 C ATOM 162 CD2 LEU A 12 8.620 30.332 -22.617 1.00 0.00 C ATOM 0 H LEU A 12 9.244 27.298 -18.768 1.00 0.00 H new ATOM 0 HA LEU A 12 7.600 27.153 -21.160 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.642 29.073 -19.506 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.233 29.473 -20.123 1.00 0.00 H new ATOM 0 HG LEU A 12 6.858 29.288 -21.989 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.499 31.759 -21.711 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.169 30.859 -20.211 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.692 31.762 -20.390 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.109 30.941 -23.363 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.429 30.909 -22.170 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.030 29.442 -23.095 1.00 0.00 H new ATOM 174 N VAL A 13 9.304 26.762 -22.887 1.00 0.00 N ATOM 175 CA VAL A 13 10.167 26.697 -24.070 1.00 0.00 C ATOM 176 C VAL A 13 9.477 27.447 -25.223 1.00 0.00 C ATOM 177 O VAL A 13 8.274 27.699 -25.173 1.00 0.00 O ATOM 178 CB VAL A 13 10.497 25.204 -24.485 1.00 0.00 C ATOM 179 CG1 VAL A 13 11.187 24.434 -23.324 1.00 0.00 C ATOM 180 CG2 VAL A 13 9.241 24.443 -24.977 1.00 0.00 C ATOM 0 H VAL A 13 8.398 26.315 -23.024 1.00 0.00 H new ATOM 0 HA VAL A 13 11.121 27.169 -23.835 1.00 0.00 H new ATOM 0 HB VAL A 13 11.194 25.258 -25.322 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.400 23.413 -23.641 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.119 24.934 -23.059 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.526 24.415 -22.457 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.517 23.424 -25.250 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.497 24.416 -24.181 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.825 24.952 -25.846 1.00 0.00 H new ATOM 190 N GLN A 14 10.260 27.842 -26.226 1.00 0.00 N ATOM 191 CA GLN A 14 9.747 28.460 -27.469 1.00 0.00 C ATOM 192 C GLN A 14 9.168 27.386 -28.417 1.00 0.00 C ATOM 193 O GLN A 14 9.510 26.193 -28.308 1.00 0.00 O ATOM 194 CB GLN A 14 10.876 29.259 -28.206 1.00 0.00 C ATOM 195 CG GLN A 14 12.024 28.413 -28.837 1.00 0.00 C ATOM 196 CD GLN A 14 12.888 27.650 -27.826 1.00 0.00 C ATOM 197 OE1 GLN A 14 13.875 28.171 -27.330 1.00 0.00 O ATOM 198 NE2 GLN A 14 12.484 26.440 -27.468 1.00 0.00 N ATOM 0 H GLN A 14 11.275 27.746 -26.208 1.00 0.00 H new ATOM 0 HA GLN A 14 8.953 29.152 -27.189 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.415 29.852 -28.996 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.318 29.960 -27.497 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.588 27.698 -29.535 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.667 29.074 -29.418 1.00 0.00 H new ATOM 0 HE21 GLN A 14 11.656 26.030 -27.900 1.00 0.00 H new ATOM 0 HE22 GLN A 14 13.001 25.918 -26.761 1.00 0.00 H new ATOM 207 N ALA A 15 8.301 27.829 -29.348 1.00 0.00 N ATOM 208 CA ALA A 15 7.752 26.979 -30.420 1.00 0.00 C ATOM 209 C ALA A 15 8.879 26.519 -31.365 1.00 0.00 C ATOM 210 O ALA A 15 9.730 27.320 -31.765 1.00 0.00 O ATOM 211 CB ALA A 15 6.659 27.737 -31.187 1.00 0.00 C ATOM 0 H ALA A 15 7.961 28.790 -29.377 1.00 0.00 H new ATOM 0 HA ALA A 15 7.301 26.091 -29.976 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.260 27.100 -31.977 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.857 28.011 -30.502 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.083 28.639 -31.628 1.00 0.00 H new ATOM 217 N GLY A 16 8.882 25.218 -31.680 1.00 0.00 N ATOM 218 CA GLY A 16 9.938 24.582 -32.470 1.00 0.00 C ATOM 219 C GLY A 16 11.055 24.017 -31.595 1.00 0.00 C ATOM 220 O GLY A 16 11.979 23.369 -32.104 1.00 0.00 O ATOM 0 H GLY A 16 8.146 24.574 -31.391 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.507 23.780 -33.069 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.357 25.309 -33.165 1.00 0.00 H new ATOM 224 N GLY A 17 10.959 24.257 -30.271 1.00 0.00 N ATOM 225 CA GLY A 17 11.956 23.781 -29.309 1.00 0.00 C ATOM 226 C GLY A 17 11.634 22.408 -28.740 1.00 0.00 C ATOM 227 O GLY A 17 10.637 21.789 -29.110 1.00 0.00 O ATOM 0 H GLY A 17 10.193 24.782 -29.849 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.931 23.746 -29.794 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.032 24.497 -28.491 1.00 0.00 H new ATOM 231 N SER A 18 12.483 21.928 -27.829 1.00 0.00 N ATOM 232 CA SER A 18 12.363 20.588 -27.231 1.00 0.00 C ATOM 233 C SER A 18 12.420 20.666 -25.697 1.00 0.00 C ATOM 234 O SER A 18 12.977 21.621 -25.130 1.00 0.00 O ATOM 235 CB SER A 18 13.488 19.688 -27.785 1.00 0.00 C ATOM 236 OG SER A 18 14.753 20.305 -27.647 1.00 0.00 O ATOM 0 H SER A 18 13.281 22.459 -27.480 1.00 0.00 H new ATOM 0 HA SER A 18 11.397 20.157 -27.496 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.487 18.734 -27.258 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.299 19.471 -28.836 1.00 0.00 H new ATOM 0 HG SER A 18 15.447 19.712 -28.004 1.00 0.00 H new ATOM 242 N LEU A 19 11.851 19.639 -25.041 1.00 0.00 N ATOM 243 CA LEU A 19 11.789 19.544 -23.575 1.00 0.00 C ATOM 244 C LEU A 19 11.558 18.077 -23.168 1.00 0.00 C ATOM 245 O LEU A 19 10.668 17.420 -23.714 1.00 0.00 O ATOM 246 CB LEU A 19 10.646 20.452 -23.032 1.00 0.00 C ATOM 247 CG LEU A 19 10.527 20.570 -21.482 1.00 0.00 C ATOM 248 CD1 LEU A 19 11.818 21.145 -20.858 1.00 0.00 C ATOM 249 CD2 LEU A 19 9.287 21.404 -21.084 1.00 0.00 C ATOM 0 H LEU A 19 11.419 18.848 -25.518 1.00 0.00 H new ATOM 0 HA LEU A 19 12.731 19.885 -23.145 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.783 21.453 -23.441 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.699 20.076 -23.419 1.00 0.00 H new ATOM 0 HG LEU A 19 10.395 19.565 -21.082 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.700 21.214 -19.777 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.658 20.490 -21.091 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.008 22.138 -21.266 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.227 21.471 -19.998 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.372 22.406 -21.505 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.387 20.924 -21.468 1.00 0.00 H new ATOM 261 N ARG A 20 12.372 17.565 -22.223 1.00 0.00 N ATOM 262 CA ARG A 20 12.224 16.186 -21.701 1.00 0.00 C ATOM 263 C ARG A 20 11.617 16.219 -20.288 1.00 0.00 C ATOM 264 O ARG A 20 12.052 17.002 -19.439 1.00 0.00 O ATOM 265 CB ARG A 20 13.584 15.432 -21.683 1.00 0.00 C ATOM 266 CG ARG A 20 13.472 13.924 -21.331 1.00 0.00 C ATOM 267 CD ARG A 20 14.836 13.213 -21.282 1.00 0.00 C ATOM 268 NE ARG A 20 15.684 13.696 -20.170 1.00 0.00 N ATOM 269 CZ ARG A 20 17.013 13.525 -20.068 1.00 0.00 C ATOM 270 NH1 ARG A 20 17.714 12.967 -21.052 1.00 0.00 N ATOM 271 NH2 ARG A 20 17.640 13.956 -18.986 1.00 0.00 N ATOM 0 H ARG A 20 13.142 18.086 -21.803 1.00 0.00 H new ATOM 0 HA ARG A 20 11.554 15.646 -22.369 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.054 15.531 -22.661 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.244 15.914 -20.962 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.979 13.818 -20.365 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.838 13.431 -22.068 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.680 12.139 -21.176 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.357 13.368 -22.227 1.00 0.00 H new ATOM 0 HE ARG A 20 15.220 14.202 -19.416 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.243 12.660 -21.903 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.722 12.846 -20.955 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.115 14.413 -18.240 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.649 13.832 -18.897 1.00 0.00 H new ATOM 285 N LEU A 21 10.603 15.367 -20.063 1.00 0.00 N ATOM 286 CA LEU A 21 9.942 15.199 -18.759 1.00 0.00 C ATOM 287 C LEU A 21 10.522 13.973 -18.039 1.00 0.00 C ATOM 288 O LEU A 21 11.113 13.086 -18.674 1.00 0.00 O ATOM 289 CB LEU A 21 8.395 15.050 -18.919 1.00 0.00 C ATOM 290 CG LEU A 21 7.628 16.239 -19.594 1.00 0.00 C ATOM 291 CD1 LEU A 21 8.063 17.598 -19.024 1.00 0.00 C ATOM 292 CD2 LEU A 21 7.751 16.206 -21.128 1.00 0.00 C ATOM 0 H LEU A 21 10.215 14.768 -20.792 1.00 0.00 H new ATOM 0 HA LEU A 21 10.129 16.093 -18.163 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.201 14.149 -19.500 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.967 14.890 -17.930 1.00 0.00 H new ATOM 0 HG LEU A 21 6.573 16.110 -19.353 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.508 18.395 -19.519 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.860 17.625 -17.953 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.130 17.739 -19.195 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.205 17.047 -21.555 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.802 16.274 -21.410 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.334 15.273 -21.506 1.00 0.00 H new ATOM 304 N SER A 22 10.347 13.947 -16.715 1.00 0.00 N ATOM 305 CA SER A 22 10.835 12.875 -15.839 1.00 0.00 C ATOM 306 C SER A 22 9.813 12.631 -14.718 1.00 0.00 C ATOM 307 O SER A 22 9.359 13.581 -14.075 1.00 0.00 O ATOM 308 CB SER A 22 12.215 13.266 -15.255 1.00 0.00 C ATOM 309 OG SER A 22 12.176 14.542 -14.618 1.00 0.00 O ATOM 0 H SER A 22 9.853 14.684 -16.211 1.00 0.00 H new ATOM 0 HA SER A 22 10.954 11.954 -16.409 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.534 12.510 -14.537 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.957 13.280 -16.053 1.00 0.00 H new ATOM 0 HG SER A 22 13.063 14.756 -14.260 1.00 0.00 H new ATOM 315 N CYS A 23 9.451 11.358 -14.500 1.00 0.00 N ATOM 316 CA CYS A 23 8.490 10.947 -13.466 1.00 0.00 C ATOM 317 C CYS A 23 9.055 9.778 -12.663 1.00 0.00 C ATOM 318 O CYS A 23 9.189 8.674 -13.189 1.00 0.00 O ATOM 319 CB CYS A 23 7.141 10.532 -14.085 1.00 0.00 C ATOM 320 SG CYS A 23 5.957 9.910 -12.858 1.00 0.00 S ATOM 0 H CYS A 23 9.821 10.577 -15.042 1.00 0.00 H new ATOM 0 HA CYS A 23 8.322 11.802 -12.811 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.705 11.388 -14.600 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.314 9.762 -14.837 1.00 0.00 H new ATOM 0 HG CYS A 23 4.769 10.360 -13.134 1.00 0.00 H new ATOM 326 N VAL A 24 9.396 10.018 -11.395 1.00 0.00 N ATOM 327 CA VAL A 24 9.908 8.967 -10.511 1.00 0.00 C ATOM 328 C VAL A 24 8.719 8.244 -9.850 1.00 0.00 C ATOM 329 O VAL A 24 7.801 8.891 -9.322 1.00 0.00 O ATOM 330 CB VAL A 24 10.874 9.543 -9.420 1.00 0.00 C ATOM 331 CG1 VAL A 24 11.576 8.411 -8.627 1.00 0.00 C ATOM 332 CG2 VAL A 24 11.915 10.499 -10.052 1.00 0.00 C ATOM 0 H VAL A 24 9.326 10.936 -10.955 1.00 0.00 H new ATOM 0 HA VAL A 24 10.486 8.262 -11.109 1.00 0.00 H new ATOM 0 HB VAL A 24 10.269 10.114 -8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.238 8.847 -7.879 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.826 7.794 -8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.158 7.794 -9.312 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.574 10.885 -9.274 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.505 9.957 -10.791 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.400 11.329 -10.537 1.00 0.00 H new ATOM 342 N ALA A 25 8.754 6.907 -9.873 1.00 0.00 N ATOM 343 CA ALA A 25 7.663 6.071 -9.372 1.00 0.00 C ATOM 344 C ALA A 25 7.863 5.796 -7.872 1.00 0.00 C ATOM 345 O ALA A 25 8.708 4.975 -7.494 1.00 0.00 O ATOM 346 CB ALA A 25 7.603 4.760 -10.181 1.00 0.00 C ATOM 0 H ALA A 25 9.543 6.375 -10.241 1.00 0.00 H new ATOM 0 HA ALA A 25 6.713 6.591 -9.495 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.790 4.138 -9.807 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.430 4.989 -11.233 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.547 4.225 -10.077 1.00 0.00 H new ATOM 352 N SER A 26 7.120 6.563 -7.039 1.00 0.00 N ATOM 353 CA SER A 26 7.086 6.433 -5.556 1.00 0.00 C ATOM 354 C SER A 26 8.470 6.628 -4.890 1.00 0.00 C ATOM 355 O SER A 26 8.681 6.225 -3.737 1.00 0.00 O ATOM 356 CB SER A 26 6.485 5.065 -5.159 1.00 0.00 C ATOM 357 OG SER A 26 5.300 4.793 -5.865 1.00 0.00 O ATOM 0 H SER A 26 6.513 7.307 -7.383 1.00 0.00 H new ATOM 0 HA SER A 26 6.452 7.239 -5.185 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.213 4.277 -5.353 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.281 5.054 -4.088 1.00 0.00 H new ATOM 0 HG SER A 26 5.398 5.088 -6.795 1.00 0.00 H new ATOM 363 N GLY A 27 9.393 7.278 -5.612 1.00 0.00 N ATOM 364 CA GLY A 27 10.773 7.419 -5.158 1.00 0.00 C ATOM 365 C GLY A 27 11.527 6.086 -5.215 1.00 0.00 C ATOM 366 O GLY A 27 11.819 5.488 -4.170 1.00 0.00 O ATOM 0 H GLY A 27 9.203 7.714 -6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.287 8.154 -5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.783 7.800 -4.137 1.00 0.00 H new ATOM 370 N ARG A 28 11.774 5.611 -6.454 1.00 0.00 N ATOM 371 CA ARG A 28 12.552 4.383 -6.752 1.00 0.00 C ATOM 372 C ARG A 28 11.873 3.121 -6.157 1.00 0.00 C ATOM 373 O ARG A 28 12.471 2.328 -5.423 1.00 0.00 O ATOM 374 CB ARG A 28 14.044 4.552 -6.313 1.00 0.00 C ATOM 375 CG ARG A 28 15.006 3.414 -6.746 1.00 0.00 C ATOM 376 CD ARG A 28 16.468 3.682 -6.347 1.00 0.00 C ATOM 377 NE ARG A 28 16.621 3.840 -4.887 1.00 0.00 N ATOM 378 CZ ARG A 28 17.608 4.508 -4.272 1.00 0.00 C ATOM 379 NH1 ARG A 28 18.553 5.127 -4.969 1.00 0.00 N ATOM 380 NH2 ARG A 28 17.640 4.565 -2.949 1.00 0.00 N ATOM 0 H ARG A 28 11.433 6.078 -7.294 1.00 0.00 H new ATOM 0 HA ARG A 28 12.562 4.230 -7.831 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.418 5.493 -6.717 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.077 4.637 -5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.678 2.477 -6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.947 3.287 -7.827 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.095 2.859 -6.691 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.822 4.583 -6.849 1.00 0.00 H new ATOM 0 HE ARG A 28 15.915 3.403 -4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.536 5.099 -5.988 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.296 5.631 -4.485 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.915 4.102 -2.401 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.389 5.072 -2.478 1.00 0.00 H new ATOM 394 N THR A 29 10.586 2.970 -6.474 1.00 0.00 N ATOM 395 CA THR A 29 9.802 1.763 -6.166 1.00 0.00 C ATOM 396 C THR A 29 9.324 1.139 -7.484 1.00 0.00 C ATOM 397 O THR A 29 8.915 1.859 -8.402 1.00 0.00 O ATOM 398 CB THR A 29 8.576 2.092 -5.254 1.00 0.00 C ATOM 399 OG1 THR A 29 9.009 2.814 -4.088 1.00 0.00 O ATOM 400 CG2 THR A 29 7.817 0.827 -4.812 1.00 0.00 C ATOM 0 H THR A 29 10.048 3.689 -6.958 1.00 0.00 H new ATOM 0 HA THR A 29 10.435 1.062 -5.622 1.00 0.00 H new ATOM 0 HB THR A 29 7.894 2.702 -5.846 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.235 3.018 -3.523 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.975 1.110 -4.181 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.450 0.297 -5.691 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.489 0.177 -4.251 1.00 0.00 H new ATOM 408 N PHE A 30 9.339 -0.197 -7.547 1.00 0.00 N ATOM 409 CA PHE A 30 8.945 -0.948 -8.739 1.00 0.00 C ATOM 410 C PHE A 30 7.558 -1.543 -8.504 1.00 0.00 C ATOM 411 O PHE A 30 7.358 -2.326 -7.570 1.00 0.00 O ATOM 412 CB PHE A 30 9.979 -2.070 -9.039 1.00 0.00 C ATOM 413 CG PHE A 30 9.628 -2.956 -10.238 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.120 -4.246 -10.059 1.00 0.00 C ATOM 415 CD2 PHE A 30 9.787 -2.492 -11.540 1.00 0.00 C ATOM 416 CE1 PHE A 30 8.793 -5.038 -11.143 1.00 0.00 C ATOM 417 CE2 PHE A 30 9.461 -3.285 -12.624 1.00 0.00 C ATOM 418 CZ PHE A 30 8.961 -4.555 -12.427 1.00 0.00 C ATOM 0 H PHE A 30 9.627 -0.788 -6.767 1.00 0.00 H new ATOM 0 HA PHE A 30 8.916 -0.283 -9.602 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.952 -1.612 -9.215 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.079 -2.700 -8.155 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.981 -4.629 -9.059 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.171 -1.496 -11.706 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.406 -6.034 -10.987 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.598 -2.909 -13.627 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.701 -5.171 -13.275 1.00 0.00 H new ATOM 428 N ARG A 31 6.624 -1.134 -9.365 1.00 0.00 N ATOM 429 CA ARG A 31 5.264 -1.683 -9.447 1.00 0.00 C ATOM 430 C ARG A 31 4.607 -1.097 -10.715 1.00 0.00 C ATOM 431 O ARG A 31 5.200 -0.205 -11.355 1.00 0.00 O ATOM 432 CB ARG A 31 4.430 -1.376 -8.150 1.00 0.00 C ATOM 433 CG ARG A 31 3.305 -2.395 -7.857 1.00 0.00 C ATOM 434 CD ARG A 31 2.537 -2.091 -6.560 1.00 0.00 C ATOM 435 NE ARG A 31 1.584 -3.167 -6.210 1.00 0.00 N ATOM 436 CZ ARG A 31 0.243 -3.053 -6.146 1.00 0.00 C ATOM 437 NH1 ARG A 31 -0.374 -1.930 -6.493 1.00 0.00 N ATOM 438 NH2 ARG A 31 -0.475 -4.085 -5.731 1.00 0.00 N ATOM 0 H ARG A 31 6.795 -0.392 -10.044 1.00 0.00 H new ATOM 0 HA ARG A 31 5.299 -2.770 -9.515 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.107 -1.346 -7.296 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.989 -0.383 -8.243 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.605 -2.404 -8.693 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.736 -3.394 -7.791 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.246 -1.956 -5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.996 -1.151 -6.672 1.00 0.00 H new ATOM 0 HE ARG A 31 1.980 -4.083 -5.997 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.168 -1.129 -6.817 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.391 -1.868 -6.436 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.012 -4.954 -5.464 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.491 -4.011 -5.678 1.00 0.00 H new ATOM 452 N SER A 32 3.410 -1.608 -11.071 1.00 0.00 N ATOM 453 CA SER A 32 2.638 -1.190 -12.264 1.00 0.00 C ATOM 454 C SER A 32 3.303 -1.676 -13.582 1.00 0.00 C ATOM 455 O SER A 32 4.457 -1.336 -13.878 1.00 0.00 O ATOM 456 CB SER A 32 2.392 0.347 -12.295 1.00 0.00 C ATOM 457 OG SER A 32 1.715 0.788 -11.128 1.00 0.00 O ATOM 0 H SER A 32 2.943 -2.335 -10.529 1.00 0.00 H new ATOM 0 HA SER A 32 1.664 -1.673 -12.187 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.346 0.868 -12.383 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.806 0.605 -13.177 1.00 0.00 H new ATOM 0 HG SER A 32 1.577 1.757 -11.177 1.00 0.00 H new ATOM 463 N ASN A 33 2.551 -2.468 -14.363 1.00 0.00 N ATOM 464 CA ASN A 33 3.009 -3.026 -15.656 1.00 0.00 C ATOM 465 C ASN A 33 2.321 -2.306 -16.836 1.00 0.00 C ATOM 466 O ASN A 33 2.445 -2.725 -17.987 1.00 0.00 O ATOM 467 CB ASN A 33 2.720 -4.548 -15.696 1.00 0.00 C ATOM 468 CG ASN A 33 1.219 -4.874 -15.680 1.00 0.00 C ATOM 469 OD1 ASN A 33 0.613 -5.021 -14.620 1.00 0.00 O ATOM 470 ND2 ASN A 33 0.613 -4.960 -16.854 1.00 0.00 N ATOM 0 H ASN A 33 1.600 -2.744 -14.118 1.00 0.00 H new ATOM 0 HA ASN A 33 4.083 -2.867 -15.751 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.169 -4.974 -16.593 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.199 -5.026 -14.842 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.387 -5.154 -16.899 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.147 -4.833 -17.714 1.00 0.00 H new ATOM 477 N ALA A 34 1.576 -1.245 -16.529 1.00 0.00 N ATOM 478 CA ALA A 34 0.899 -0.408 -17.528 1.00 0.00 C ATOM 479 C ALA A 34 1.230 1.052 -17.225 1.00 0.00 C ATOM 480 O ALA A 34 1.005 1.507 -16.111 1.00 0.00 O ATOM 481 CB ALA A 34 -0.624 -0.664 -17.487 1.00 0.00 C ATOM 0 H ALA A 34 1.422 -0.936 -15.569 1.00 0.00 H new ATOM 0 HA ALA A 34 1.241 -0.653 -18.534 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.118 -0.039 -18.231 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.823 -1.713 -17.705 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.007 -0.420 -16.496 1.00 0.00 H new ATOM 487 N MET A 35 1.817 1.766 -18.197 1.00 0.00 N ATOM 488 CA MET A 35 2.212 3.186 -18.038 1.00 0.00 C ATOM 489 C MET A 35 1.877 3.969 -19.311 1.00 0.00 C ATOM 490 O MET A 35 1.826 3.400 -20.401 1.00 0.00 O ATOM 491 CB MET A 35 3.730 3.311 -17.675 1.00 0.00 C ATOM 492 CG MET A 35 4.076 2.882 -16.235 1.00 0.00 C ATOM 493 SD MET A 35 5.837 3.014 -15.845 1.00 0.00 S ATOM 494 CE MET A 35 5.828 2.758 -14.064 1.00 0.00 C ATOM 0 H MET A 35 2.034 1.382 -19.117 1.00 0.00 H new ATOM 0 HA MET A 35 1.646 3.615 -17.212 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.309 2.704 -18.371 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.042 4.346 -17.818 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.510 3.497 -15.535 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.755 1.851 -16.085 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.848 2.812 -13.683 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.222 3.529 -13.589 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.409 1.777 -13.840 1.00 0.00 H new ATOM 504 N GLY A 36 1.638 5.275 -19.154 1.00 0.00 N ATOM 505 CA GLY A 36 1.268 6.141 -20.274 1.00 0.00 C ATOM 506 C GLY A 36 1.526 7.605 -19.983 1.00 0.00 C ATOM 507 O GLY A 36 1.935 7.954 -18.880 1.00 0.00 O ATOM 0 H GLY A 36 1.695 5.756 -18.256 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.830 5.845 -21.160 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.212 6.000 -20.505 1.00 0.00 H new ATOM 511 N TRP A 37 1.309 8.456 -20.995 1.00 0.00 N ATOM 512 CA TRP A 37 1.433 9.919 -20.896 1.00 0.00 C ATOM 513 C TRP A 37 0.247 10.551 -21.624 1.00 0.00 C ATOM 514 O TRP A 37 -0.078 10.155 -22.753 1.00 0.00 O ATOM 515 CB TRP A 37 2.760 10.434 -21.520 1.00 0.00 C ATOM 516 CG TRP A 37 4.006 10.073 -20.737 1.00 0.00 C ATOM 517 CD1 TRP A 37 4.740 8.929 -20.846 1.00 0.00 C ATOM 518 CD2 TRP A 37 4.652 10.862 -19.716 1.00 0.00 C ATOM 519 NE1 TRP A 37 5.807 8.969 -19.991 1.00 0.00 N ATOM 520 CE2 TRP A 37 5.772 10.134 -19.276 1.00 0.00 C ATOM 521 CE3 TRP A 37 4.392 12.115 -19.135 1.00 0.00 C ATOM 522 CZ2 TRP A 37 6.635 10.612 -18.288 1.00 0.00 C ATOM 523 CZ3 TRP A 37 5.248 12.586 -18.150 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.358 11.835 -17.736 1.00 0.00 C ATOM 0 H TRP A 37 1.036 8.141 -21.926 1.00 0.00 H new ATOM 0 HA TRP A 37 1.440 10.197 -19.842 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.852 10.032 -22.529 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.706 11.519 -21.612 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.512 8.110 -21.511 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.518 8.243 -19.901 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.541 12.701 -19.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.492 10.037 -17.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.057 13.546 -17.695 1.00 0.00 H new ATOM 0 HH2 TRP A 37 7.007 12.228 -16.967 1.00 0.00 H new ATOM 535 N PHE A 38 -0.399 11.513 -20.957 1.00 0.00 N ATOM 536 CA PHE A 38 -1.553 12.255 -21.476 1.00 0.00 C ATOM 537 C PHE A 38 -1.334 13.750 -21.186 1.00 0.00 C ATOM 538 O PHE A 38 -0.876 14.106 -20.096 1.00 0.00 O ATOM 539 CB PHE A 38 -2.871 11.758 -20.808 1.00 0.00 C ATOM 540 CG PHE A 38 -3.166 10.270 -21.005 1.00 0.00 C ATOM 541 CD1 PHE A 38 -2.713 9.315 -20.091 1.00 0.00 C ATOM 542 CD2 PHE A 38 -3.896 9.826 -22.109 1.00 0.00 C ATOM 543 CE1 PHE A 38 -2.964 7.970 -20.282 1.00 0.00 C ATOM 544 CE2 PHE A 38 -4.149 8.482 -22.297 1.00 0.00 C ATOM 545 CZ PHE A 38 -3.687 7.553 -21.382 1.00 0.00 C ATOM 0 H PHE A 38 -0.127 11.805 -20.018 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.646 12.092 -22.550 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.821 11.966 -19.739 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.705 12.336 -21.207 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.158 9.634 -19.221 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.268 10.543 -22.826 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.595 7.245 -19.571 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.709 8.155 -23.161 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.892 6.503 -21.528 1.00 0.00 H new ATOM 555 N ARG A 39 -1.640 14.621 -22.164 1.00 0.00 N ATOM 556 CA ARG A 39 -1.524 16.083 -21.990 1.00 0.00 C ATOM 557 C ARG A 39 -2.926 16.666 -21.800 1.00 0.00 C ATOM 558 O ARG A 39 -3.838 16.374 -22.575 1.00 0.00 O ATOM 559 CB ARG A 39 -0.758 16.735 -23.189 1.00 0.00 C ATOM 560 CG ARG A 39 -1.511 16.875 -24.553 1.00 0.00 C ATOM 561 CD ARG A 39 -2.266 18.220 -24.694 1.00 0.00 C ATOM 562 NE ARG A 39 -3.128 18.255 -25.890 1.00 0.00 N ATOM 563 CZ ARG A 39 -4.468 18.180 -25.881 1.00 0.00 C ATOM 564 NH1 ARG A 39 -5.138 17.942 -24.755 1.00 0.00 N ATOM 565 NH2 ARG A 39 -5.134 18.304 -27.013 1.00 0.00 N ATOM 0 H ARG A 39 -1.971 14.338 -23.087 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.933 16.308 -21.102 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.439 17.730 -22.880 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.146 16.151 -23.365 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.794 16.780 -25.369 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.221 16.054 -24.656 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.874 18.387 -23.805 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.545 19.036 -24.745 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.669 18.343 -26.797 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.633 17.813 -23.878 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.157 17.889 -24.769 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.630 18.456 -27.887 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.152 18.248 -27.014 1.00 0.00 H new ATOM 579 N GLN A 40 -3.096 17.484 -20.768 1.00 0.00 N ATOM 580 CA GLN A 40 -4.390 18.079 -20.408 1.00 0.00 C ATOM 581 C GLN A 40 -4.194 19.572 -20.131 1.00 0.00 C ATOM 582 O GLN A 40 -3.169 19.964 -19.601 1.00 0.00 O ATOM 583 CB GLN A 40 -4.960 17.341 -19.164 1.00 0.00 C ATOM 584 CG GLN A 40 -6.384 17.765 -18.742 1.00 0.00 C ATOM 585 CD GLN A 40 -6.965 16.924 -17.600 1.00 0.00 C ATOM 586 OE1 GLN A 40 -6.238 16.428 -16.738 1.00 0.00 O ATOM 587 NE2 GLN A 40 -8.279 16.751 -17.595 1.00 0.00 N ATOM 0 H GLN A 40 -2.335 17.760 -20.147 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.103 17.973 -21.225 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.962 16.270 -19.367 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.285 17.505 -18.324 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.367 18.812 -18.438 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.045 17.695 -19.606 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.852 17.176 -18.324 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.717 16.193 -16.862 1.00 0.00 H new ATOM 596 N ALA A 41 -5.166 20.399 -20.514 1.00 0.00 N ATOM 597 CA ALA A 41 -5.120 21.862 -20.295 1.00 0.00 C ATOM 598 C ALA A 41 -6.252 22.281 -19.321 1.00 0.00 C ATOM 599 O ALA A 41 -7.174 21.485 -19.104 1.00 0.00 O ATOM 600 CB ALA A 41 -5.222 22.578 -21.655 1.00 0.00 C ATOM 0 H ALA A 41 -6.013 20.083 -20.986 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.175 22.152 -19.835 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.189 23.657 -21.502 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.388 22.276 -22.289 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.161 22.309 -22.138 1.00 0.00 H new ATOM 606 N PRO A 42 -6.167 23.498 -18.669 1.00 0.00 N ATOM 607 CA PRO A 42 -7.242 24.028 -17.779 1.00 0.00 C ATOM 608 C PRO A 42 -8.655 23.990 -18.415 1.00 0.00 C ATOM 609 O PRO A 42 -8.965 24.782 -19.317 1.00 0.00 O ATOM 610 CB PRO A 42 -6.785 25.483 -17.486 1.00 0.00 C ATOM 611 CG PRO A 42 -5.294 25.414 -17.585 1.00 0.00 C ATOM 612 CD PRO A 42 -4.993 24.419 -18.691 1.00 0.00 C ATOM 0 HA PRO A 42 -7.355 23.417 -16.883 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.202 26.186 -18.207 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.106 25.812 -16.498 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.873 26.393 -17.815 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.855 25.092 -16.641 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.890 24.913 -19.657 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.061 23.884 -18.506 1.00 0.00 H new ATOM 620 N GLY A 43 -9.481 23.024 -17.956 1.00 0.00 N ATOM 621 CA GLY A 43 -10.857 22.858 -18.435 1.00 0.00 C ATOM 622 C GLY A 43 -10.951 22.127 -19.773 1.00 0.00 C ATOM 623 O GLY A 43 -11.938 22.275 -20.499 1.00 0.00 O ATOM 0 H GLY A 43 -9.207 22.344 -17.247 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.430 22.308 -17.688 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.320 23.840 -18.533 1.00 0.00 H new ATOM 627 N LYS A 44 -9.914 21.330 -20.096 1.00 0.00 N ATOM 628 CA LYS A 44 -9.814 20.587 -21.369 1.00 0.00 C ATOM 629 C LYS A 44 -9.568 19.097 -21.103 1.00 0.00 C ATOM 630 O LYS A 44 -9.355 18.675 -19.950 1.00 0.00 O ATOM 631 CB LYS A 44 -8.677 21.179 -22.255 1.00 0.00 C ATOM 632 CG LYS A 44 -8.861 22.662 -22.718 1.00 0.00 C ATOM 633 CD LYS A 44 -9.764 22.842 -23.976 1.00 0.00 C ATOM 634 CE LYS A 44 -11.262 22.571 -23.736 1.00 0.00 C ATOM 635 NZ LYS A 44 -12.068 22.755 -24.961 1.00 0.00 N ATOM 0 H LYS A 44 -9.117 21.182 -19.477 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.758 20.689 -21.905 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.740 21.107 -21.703 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.574 20.554 -23.142 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.288 23.235 -21.895 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.880 23.088 -22.927 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.648 23.860 -24.348 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.409 22.174 -24.760 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.391 21.553 -23.369 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.630 23.240 -22.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.068 22.562 -24.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.968 23.734 -25.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.736 22.099 -25.697 1.00 0.00 H new ATOM 649 N GLU A 45 -9.609 18.302 -22.189 1.00 0.00 N ATOM 650 CA GLU A 45 -9.438 16.839 -22.135 1.00 0.00 C ATOM 651 C GLU A 45 -7.947 16.456 -22.102 1.00 0.00 C ATOM 652 O GLU A 45 -7.064 17.292 -22.341 1.00 0.00 O ATOM 653 CB GLU A 45 -10.158 16.166 -23.350 1.00 0.00 C ATOM 654 CG GLU A 45 -9.442 16.258 -24.735 1.00 0.00 C ATOM 655 CD GLU A 45 -9.144 17.694 -25.228 1.00 0.00 C ATOM 656 OE1 GLU A 45 -7.962 18.024 -25.472 1.00 0.00 O ATOM 657 OE2 GLU A 45 -10.095 18.502 -25.350 1.00 0.00 O ATOM 0 H GLU A 45 -9.762 18.659 -23.132 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.894 16.474 -21.214 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.307 15.112 -23.115 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.147 16.614 -23.449 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.502 15.708 -24.678 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.060 15.756 -25.480 1.00 0.00 H new ATOM 664 N ARG A 46 -7.688 15.173 -21.805 1.00 0.00 N ATOM 665 CA ARG A 46 -6.342 14.588 -21.839 1.00 0.00 C ATOM 666 C ARG A 46 -6.179 13.762 -23.134 1.00 0.00 C ATOM 667 O ARG A 46 -6.917 12.799 -23.374 1.00 0.00 O ATOM 668 CB ARG A 46 -6.022 13.739 -20.562 1.00 0.00 C ATOM 669 CG ARG A 46 -7.009 12.592 -20.216 1.00 0.00 C ATOM 670 CD ARG A 46 -8.256 13.062 -19.445 1.00 0.00 C ATOM 671 NE ARG A 46 -9.226 11.965 -19.276 1.00 0.00 N ATOM 672 CZ ARG A 46 -9.715 11.524 -18.107 1.00 0.00 C ATOM 673 NH1 ARG A 46 -9.315 12.043 -16.945 1.00 0.00 N ATOM 674 NH2 ARG A 46 -10.604 10.544 -18.106 1.00 0.00 N ATOM 0 H ARG A 46 -8.413 14.509 -21.533 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.615 15.400 -21.839 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.028 13.307 -20.682 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.975 14.415 -19.708 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.325 12.105 -21.139 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.487 11.842 -19.622 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.960 13.442 -18.467 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.727 13.888 -19.979 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.554 11.500 -20.122 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.623 12.792 -16.932 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.701 11.691 -16.069 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.910 10.132 -18.988 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.983 10.200 -17.224 1.00 0.00 H new ATOM 688 N GLU A 47 -5.228 14.185 -23.974 1.00 0.00 N ATOM 689 CA GLU A 47 -4.926 13.546 -25.267 1.00 0.00 C ATOM 690 C GLU A 47 -3.804 12.514 -25.081 1.00 0.00 C ATOM 691 O GLU A 47 -2.844 12.772 -24.346 1.00 0.00 O ATOM 692 CB GLU A 47 -4.499 14.632 -26.296 1.00 0.00 C ATOM 693 CG GLU A 47 -4.078 14.111 -27.693 1.00 0.00 C ATOM 694 CD GLU A 47 -5.199 13.365 -28.442 1.00 0.00 C ATOM 695 OE1 GLU A 47 -6.063 14.033 -29.051 1.00 0.00 O ATOM 696 OE2 GLU A 47 -5.222 12.110 -28.430 1.00 0.00 O ATOM 0 H GLU A 47 -4.636 14.992 -23.775 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.814 13.036 -25.641 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.327 15.329 -26.424 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.668 15.198 -25.875 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.746 14.953 -28.300 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.223 13.444 -27.579 1.00 0.00 H new ATOM 703 N PHE A 48 -3.935 11.359 -25.760 1.00 0.00 N ATOM 704 CA PHE A 48 -2.933 10.281 -25.727 1.00 0.00 C ATOM 705 C PHE A 48 -1.637 10.745 -26.411 1.00 0.00 C ATOM 706 O PHE A 48 -1.606 10.967 -27.627 1.00 0.00 O ATOM 707 CB PHE A 48 -3.483 8.991 -26.400 1.00 0.00 C ATOM 708 CG PHE A 48 -2.492 7.814 -26.408 1.00 0.00 C ATOM 709 CD1 PHE A 48 -2.289 7.038 -25.263 1.00 0.00 C ATOM 710 CD2 PHE A 48 -1.758 7.489 -27.557 1.00 0.00 C ATOM 711 CE1 PHE A 48 -1.389 5.986 -25.266 1.00 0.00 C ATOM 712 CE2 PHE A 48 -0.860 6.439 -27.556 1.00 0.00 C ATOM 713 CZ PHE A 48 -0.677 5.686 -26.412 1.00 0.00 C ATOM 0 H PHE A 48 -4.741 11.148 -26.348 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.712 10.044 -24.686 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.392 8.683 -25.882 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.764 9.222 -27.427 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.842 7.262 -24.363 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.897 8.069 -28.458 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.243 5.399 -24.371 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.301 6.207 -28.450 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.022 4.863 -26.413 1.00 0.00 H new ATOM 723 N VAL A 49 -0.593 10.918 -25.604 1.00 0.00 N ATOM 724 CA VAL A 49 0.736 11.306 -26.080 1.00 0.00 C ATOM 725 C VAL A 49 1.552 10.049 -26.403 1.00 0.00 C ATOM 726 O VAL A 49 2.002 9.863 -27.544 1.00 0.00 O ATOM 727 CB VAL A 49 1.481 12.181 -25.004 1.00 0.00 C ATOM 728 CG1 VAL A 49 2.893 12.615 -25.481 1.00 0.00 C ATOM 729 CG2 VAL A 49 0.614 13.402 -24.609 1.00 0.00 C ATOM 0 H VAL A 49 -0.644 10.792 -24.593 1.00 0.00 H new ATOM 0 HA VAL A 49 0.625 11.905 -26.984 1.00 0.00 H new ATOM 0 HB VAL A 49 1.630 11.564 -24.118 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.370 13.216 -24.707 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.499 11.730 -25.677 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.804 13.203 -26.394 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.142 13.998 -23.864 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.421 14.012 -25.491 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.332 13.057 -24.193 1.00 0.00 H new ATOM 739 N ALA A 50 1.698 9.172 -25.390 1.00 0.00 N ATOM 740 CA ALA A 50 2.601 8.012 -25.466 1.00 0.00 C ATOM 741 C ALA A 50 2.255 6.947 -24.411 1.00 0.00 C ATOM 742 O ALA A 50 1.388 7.180 -23.569 1.00 0.00 O ATOM 743 CB ALA A 50 4.052 8.492 -25.320 1.00 0.00 C ATOM 0 H ALA A 50 1.197 9.248 -24.505 1.00 0.00 H new ATOM 0 HA ALA A 50 2.476 7.535 -26.438 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.725 7.637 -25.376 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.286 9.191 -26.123 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.176 8.989 -24.358 1.00 0.00 H new ATOM 749 N ALA A 51 2.933 5.765 -24.472 1.00 0.00 N ATOM 750 CA ALA A 51 2.724 4.668 -23.493 1.00 0.00 C ATOM 751 C ALA A 51 3.860 3.614 -23.503 1.00 0.00 C ATOM 752 O ALA A 51 4.658 3.507 -24.454 1.00 0.00 O ATOM 753 CB ALA A 51 1.354 3.987 -23.701 1.00 0.00 C ATOM 0 H ALA A 51 3.627 5.552 -25.189 1.00 0.00 H new ATOM 0 HA ALA A 51 2.741 5.138 -22.510 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.230 3.188 -22.970 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.559 4.722 -23.574 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.304 3.569 -24.707 1.00 0.00 H new ATOM 759 N ILE A 52 3.888 2.831 -22.404 1.00 0.00 N ATOM 760 CA ILE A 52 4.868 1.764 -22.130 1.00 0.00 C ATOM 761 C ILE A 52 4.106 0.479 -21.750 1.00 0.00 C ATOM 762 O ILE A 52 3.239 0.508 -20.862 1.00 0.00 O ATOM 763 CB ILE A 52 5.839 2.164 -20.942 1.00 0.00 C ATOM 764 CG1 ILE A 52 6.556 3.519 -21.253 1.00 0.00 C ATOM 765 CG2 ILE A 52 6.862 1.032 -20.627 1.00 0.00 C ATOM 766 CD1 ILE A 52 7.548 3.988 -20.208 1.00 0.00 C ATOM 0 H ILE A 52 3.202 2.930 -21.656 1.00 0.00 H new ATOM 0 HA ILE A 52 5.471 1.607 -23.024 1.00 0.00 H new ATOM 0 HB ILE A 52 5.235 2.299 -20.045 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.077 3.424 -22.206 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.797 4.291 -21.380 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.509 1.344 -19.808 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.326 0.127 -20.342 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.467 0.832 -21.511 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.987 4.935 -20.522 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.036 4.123 -19.255 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.336 3.243 -20.094 1.00 0.00 H new ATOM 778 N ARG A 53 4.429 -0.634 -22.428 1.00 0.00 N ATOM 779 CA ARG A 53 3.857 -1.960 -22.129 1.00 0.00 C ATOM 780 C ARG A 53 4.839 -2.780 -21.261 1.00 0.00 C ATOM 781 O ARG A 53 6.014 -2.959 -21.629 1.00 0.00 O ATOM 782 CB ARG A 53 3.473 -2.703 -23.442 1.00 0.00 C ATOM 783 CG ARG A 53 4.604 -2.824 -24.488 1.00 0.00 C ATOM 784 CD ARG A 53 4.138 -3.480 -25.793 1.00 0.00 C ATOM 785 NE ARG A 53 5.192 -3.490 -26.824 1.00 0.00 N ATOM 786 CZ ARG A 53 4.992 -3.317 -28.142 1.00 0.00 C ATOM 787 NH1 ARG A 53 3.774 -3.067 -28.624 1.00 0.00 N ATOM 788 NH2 ARG A 53 6.021 -3.376 -28.969 1.00 0.00 N ATOM 0 H ARG A 53 5.095 -0.641 -23.200 1.00 0.00 H new ATOM 0 HA ARG A 53 2.939 -1.832 -21.556 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.129 -3.705 -23.186 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.631 -2.185 -23.900 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.999 -1.832 -24.706 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.423 -3.407 -24.066 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.823 -4.503 -25.590 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.266 -2.947 -26.173 1.00 0.00 H new ATOM 0 HE ARG A 53 6.151 -3.640 -26.512 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.977 -3.005 -27.990 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.639 -2.938 -29.627 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.958 -3.552 -28.606 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.878 -3.246 -29.971 1.00 0.00 H new ATOM 802 N TRP A 54 4.329 -3.218 -20.089 1.00 0.00 N ATOM 803 CA TRP A 54 5.057 -4.003 -19.072 1.00 0.00 C ATOM 804 C TRP A 54 6.296 -3.223 -18.558 1.00 0.00 C ATOM 805 O TRP A 54 6.182 -2.429 -17.613 1.00 0.00 O ATOM 806 CB TRP A 54 5.398 -5.438 -19.592 1.00 0.00 C ATOM 807 CG TRP A 54 5.972 -6.363 -18.536 1.00 0.00 C ATOM 808 CD1 TRP A 54 5.336 -6.820 -17.411 1.00 0.00 C ATOM 809 CD2 TRP A 54 7.284 -6.952 -18.514 1.00 0.00 C ATOM 810 NE1 TRP A 54 6.173 -7.634 -16.695 1.00 0.00 N ATOM 811 CE2 TRP A 54 7.370 -7.734 -17.348 1.00 0.00 C ATOM 812 CE3 TRP A 54 8.395 -6.888 -19.367 1.00 0.00 C ATOM 813 CZ2 TRP A 54 8.517 -8.449 -17.011 1.00 0.00 C ATOM 814 CZ3 TRP A 54 9.534 -7.597 -19.032 1.00 0.00 C ATOM 815 CH2 TRP A 54 9.587 -8.369 -17.861 1.00 0.00 C ATOM 0 H TRP A 54 3.365 -3.027 -19.817 1.00 0.00 H new ATOM 0 HA TRP A 54 4.404 -4.149 -18.211 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.493 -5.889 -20.000 1.00 0.00 H new ATOM 0 HB3 TRP A 54 6.111 -5.355 -20.412 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.323 -6.574 -17.130 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.940 -8.093 -15.814 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.362 -6.296 -20.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 8.561 -9.045 -16.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.396 -7.556 -19.681 1.00 0.00 H new ATOM 0 HH2 TRP A 54 10.491 -8.911 -17.626 1.00 0.00 H new ATOM 826 N SER A 55 7.448 -3.419 -19.231 1.00 0.00 N ATOM 827 CA SER A 55 8.718 -2.742 -18.930 1.00 0.00 C ATOM 828 C SER A 55 9.707 -3.088 -20.057 1.00 0.00 C ATOM 829 O SER A 55 9.833 -4.255 -20.435 1.00 0.00 O ATOM 830 CB SER A 55 9.280 -3.168 -17.543 1.00 0.00 C ATOM 831 OG SER A 55 10.467 -2.453 -17.207 1.00 0.00 O ATOM 0 H SER A 55 7.519 -4.067 -20.015 1.00 0.00 H new ATOM 0 HA SER A 55 8.561 -1.665 -18.879 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.524 -2.996 -16.777 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.490 -4.238 -17.550 1.00 0.00 H new ATOM 0 HG SER A 55 10.788 -2.747 -16.329 1.00 0.00 H new ATOM 837 N GLY A 56 10.370 -2.067 -20.618 1.00 0.00 N ATOM 838 CA GLY A 56 11.256 -2.253 -21.778 1.00 0.00 C ATOM 839 C GLY A 56 10.525 -2.080 -23.109 1.00 0.00 C ATOM 840 O GLY A 56 11.161 -1.842 -24.143 1.00 0.00 O ATOM 0 H GLY A 56 10.310 -1.104 -20.288 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.076 -1.537 -21.722 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.698 -3.248 -21.737 1.00 0.00 H new ATOM 844 N GLY A 57 9.180 -2.182 -23.083 1.00 0.00 N ATOM 845 CA GLY A 57 8.345 -1.916 -24.257 1.00 0.00 C ATOM 846 C GLY A 57 7.878 -0.471 -24.293 1.00 0.00 C ATOM 847 O GLY A 57 6.686 -0.189 -24.464 1.00 0.00 O ATOM 0 H GLY A 57 8.653 -2.449 -22.252 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.908 -2.140 -25.163 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.480 -2.579 -24.247 1.00 0.00 H new ATOM 851 N SER A 58 8.838 0.453 -24.137 1.00 0.00 N ATOM 852 CA SER A 58 8.568 1.887 -23.993 1.00 0.00 C ATOM 853 C SER A 58 8.389 2.557 -25.366 1.00 0.00 C ATOM 854 O SER A 58 9.223 3.364 -25.789 1.00 0.00 O ATOM 855 CB SER A 58 9.716 2.531 -23.180 1.00 0.00 C ATOM 856 OG SER A 58 9.928 1.845 -21.951 1.00 0.00 O ATOM 0 H SER A 58 9.831 0.222 -24.107 1.00 0.00 H new ATOM 0 HA SER A 58 7.631 2.033 -23.455 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.633 2.518 -23.769 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.481 3.576 -22.980 1.00 0.00 H new ATOM 0 HG SER A 58 10.880 1.636 -21.853 1.00 0.00 H new ATOM 862 N THR A 59 7.270 2.228 -26.043 1.00 0.00 N ATOM 863 CA THR A 59 6.942 2.728 -27.391 1.00 0.00 C ATOM 864 C THR A 59 5.426 2.590 -27.602 1.00 0.00 C ATOM 865 O THR A 59 4.906 1.473 -27.561 1.00 0.00 O ATOM 866 CB THR A 59 7.680 1.929 -28.542 1.00 0.00 C ATOM 867 OG1 THR A 59 7.612 0.518 -28.273 1.00 0.00 O ATOM 868 CG2 THR A 59 9.149 2.351 -28.748 1.00 0.00 C ATOM 0 H THR A 59 6.561 1.600 -25.663 1.00 0.00 H new ATOM 0 HA THR A 59 7.273 3.765 -27.447 1.00 0.00 H new ATOM 0 HB THR A 59 7.159 2.170 -29.468 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.701 0.280 -28.002 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.588 1.760 -29.552 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.191 3.408 -29.010 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.708 2.183 -27.828 1.00 0.00 H new ATOM 876 N TYR A 60 4.767 3.733 -27.829 1.00 0.00 N ATOM 877 CA TYR A 60 3.376 3.871 -28.306 1.00 0.00 C ATOM 878 C TYR A 60 3.207 5.347 -28.642 1.00 0.00 C ATOM 879 O TYR A 60 3.418 6.184 -27.769 1.00 0.00 O ATOM 880 CB TYR A 60 2.280 3.431 -27.273 1.00 0.00 C ATOM 881 CG TYR A 60 2.028 1.912 -27.186 1.00 0.00 C ATOM 882 CD1 TYR A 60 2.093 1.216 -25.969 1.00 0.00 C ATOM 883 CD2 TYR A 60 1.746 1.170 -28.339 1.00 0.00 C ATOM 884 CE1 TYR A 60 1.884 -0.148 -25.915 1.00 0.00 C ATOM 885 CE2 TYR A 60 1.538 -0.193 -28.280 1.00 0.00 C ATOM 886 CZ TYR A 60 1.608 -0.845 -27.070 1.00 0.00 C ATOM 887 OH TYR A 60 1.403 -2.206 -27.015 1.00 0.00 O ATOM 0 H TYR A 60 5.210 4.639 -27.678 1.00 0.00 H new ATOM 0 HA TYR A 60 3.228 3.206 -29.157 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.569 3.792 -26.286 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.343 3.924 -27.531 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.310 1.756 -25.059 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.690 1.674 -29.293 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.937 -0.667 -24.969 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.321 -0.747 -29.181 1.00 0.00 H new ATOM 0 HH TYR A 60 1.251 -2.477 -26.085 1.00 0.00 H new ATOM 897 N TYR A 61 2.900 5.660 -29.904 1.00 0.00 N ATOM 898 CA TYR A 61 2.790 7.050 -30.384 1.00 0.00 C ATOM 899 C TYR A 61 1.962 7.116 -31.676 1.00 0.00 C ATOM 900 O TYR A 61 1.904 6.148 -32.444 1.00 0.00 O ATOM 901 CB TYR A 61 4.213 7.680 -30.589 1.00 0.00 C ATOM 902 CG TYR A 61 5.236 6.743 -31.274 1.00 0.00 C ATOM 903 CD1 TYR A 61 6.193 6.042 -30.523 1.00 0.00 C ATOM 904 CD2 TYR A 61 5.223 6.529 -32.655 1.00 0.00 C ATOM 905 CE1 TYR A 61 7.088 5.174 -31.126 1.00 0.00 C ATOM 906 CE2 TYR A 61 6.117 5.666 -33.259 1.00 0.00 C ATOM 907 CZ TYR A 61 7.045 4.991 -32.495 1.00 0.00 C ATOM 908 OH TYR A 61 7.932 4.133 -33.106 1.00 0.00 O ATOM 0 H TYR A 61 2.720 4.961 -30.625 1.00 0.00 H new ATOM 0 HA TYR A 61 2.271 7.635 -29.625 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.113 8.586 -31.186 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.607 7.980 -29.618 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.232 6.183 -29.453 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.498 7.050 -33.263 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.815 4.643 -30.530 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.089 5.520 -34.329 1.00 0.00 H new ATOM 0 HH TYR A 61 7.763 4.121 -34.071 1.00 0.00 H new ATOM 918 N ALA A 62 1.303 8.268 -31.879 1.00 0.00 N ATOM 919 CA ALA A 62 0.587 8.591 -33.126 1.00 0.00 C ATOM 920 C ALA A 62 1.583 8.988 -34.233 1.00 0.00 C ATOM 921 O ALA A 62 2.714 9.385 -33.934 1.00 0.00 O ATOM 922 CB ALA A 62 -0.422 9.731 -32.877 1.00 0.00 C ATOM 0 H ALA A 62 1.251 9.007 -31.178 1.00 0.00 H new ATOM 0 HA ALA A 62 0.043 7.706 -33.455 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.946 9.962 -33.804 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.143 9.420 -32.121 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.109 10.617 -32.530 1.00 0.00 H new ATOM 928 N ASP A 63 1.145 8.902 -35.504 1.00 0.00 N ATOM 929 CA ASP A 63 1.957 9.315 -36.680 1.00 0.00 C ATOM 930 C ASP A 63 2.315 10.815 -36.595 1.00 0.00 C ATOM 931 O ASP A 63 3.395 11.235 -37.028 1.00 0.00 O ATOM 932 CB ASP A 63 1.182 9.013 -37.990 1.00 0.00 C ATOM 933 CG ASP A 63 1.958 9.364 -39.284 1.00 0.00 C ATOM 934 OD1 ASP A 63 1.727 10.455 -39.860 1.00 0.00 O ATOM 935 OD2 ASP A 63 2.798 8.547 -39.727 1.00 0.00 O ATOM 0 H ASP A 63 0.222 8.546 -35.751 1.00 0.00 H new ATOM 0 HA ASP A 63 2.886 8.745 -36.682 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.925 7.954 -38.010 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.244 9.569 -37.980 1.00 0.00 H new ATOM 940 N SER A 64 1.391 11.590 -35.998 1.00 0.00 N ATOM 941 CA SER A 64 1.545 13.037 -35.776 1.00 0.00 C ATOM 942 C SER A 64 2.764 13.360 -34.881 1.00 0.00 C ATOM 943 O SER A 64 3.467 14.352 -35.107 1.00 0.00 O ATOM 944 CB SER A 64 0.259 13.574 -35.117 1.00 0.00 C ATOM 945 OG SER A 64 -0.897 13.208 -35.860 1.00 0.00 O ATOM 0 H SER A 64 0.505 11.222 -35.652 1.00 0.00 H new ATOM 0 HA SER A 64 1.715 13.517 -36.740 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.179 13.185 -34.102 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.314 14.660 -35.039 1.00 0.00 H new ATOM 0 HG SER A 64 -1.696 13.561 -35.416 1.00 0.00 H new ATOM 951 N VAL A 65 3.004 12.504 -33.867 1.00 0.00 N ATOM 952 CA VAL A 65 4.065 12.717 -32.853 1.00 0.00 C ATOM 953 C VAL A 65 5.243 11.720 -33.029 1.00 0.00 C ATOM 954 O VAL A 65 6.190 11.723 -32.234 1.00 0.00 O ATOM 955 CB VAL A 65 3.469 12.627 -31.395 1.00 0.00 C ATOM 956 CG1 VAL A 65 2.381 13.713 -31.166 1.00 0.00 C ATOM 957 CG2 VAL A 65 2.925 11.213 -31.079 1.00 0.00 C ATOM 0 H VAL A 65 2.471 11.646 -33.725 1.00 0.00 H new ATOM 0 HA VAL A 65 4.464 13.720 -33.004 1.00 0.00 H new ATOM 0 HB VAL A 65 4.287 12.819 -30.700 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.988 13.627 -30.153 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.819 14.702 -31.302 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.571 13.573 -31.882 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.524 11.195 -30.066 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.135 10.961 -31.786 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.732 10.486 -31.162 1.00 0.00 H new ATOM 967 N LYS A 66 5.174 10.899 -34.096 1.00 0.00 N ATOM 968 CA LYS A 66 6.194 9.880 -34.427 1.00 0.00 C ATOM 969 C LYS A 66 7.534 10.538 -34.823 1.00 0.00 C ATOM 970 O LYS A 66 7.629 11.181 -35.876 1.00 0.00 O ATOM 971 CB LYS A 66 5.684 8.997 -35.598 1.00 0.00 C ATOM 972 CG LYS A 66 6.675 7.909 -36.083 1.00 0.00 C ATOM 973 CD LYS A 66 6.176 7.169 -37.346 1.00 0.00 C ATOM 974 CE LYS A 66 6.020 8.111 -38.561 1.00 0.00 C ATOM 975 NZ LYS A 66 5.473 7.417 -39.752 1.00 0.00 N ATOM 0 H LYS A 66 4.400 10.924 -34.760 1.00 0.00 H new ATOM 0 HA LYS A 66 6.363 9.266 -33.542 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.758 8.511 -35.289 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.439 9.644 -36.440 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.640 8.370 -36.294 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.835 7.186 -35.283 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.876 6.372 -37.596 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.218 6.696 -37.131 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.363 8.938 -38.293 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.990 8.542 -38.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.050 7.650 -40.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.492 6.389 -39.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.493 7.724 -39.913 1.00 0.00 H new ATOM 989 N GLY A 67 8.550 10.373 -33.961 1.00 0.00 N ATOM 990 CA GLY A 67 9.909 10.867 -34.221 1.00 0.00 C ATOM 991 C GLY A 67 10.264 12.106 -33.406 1.00 0.00 C ATOM 992 O GLY A 67 11.442 12.458 -33.288 1.00 0.00 O ATOM 0 H GLY A 67 8.451 9.894 -33.066 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.625 10.076 -33.998 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.008 11.097 -35.282 1.00 0.00 H new ATOM 996 N ARG A 68 9.242 12.772 -32.852 1.00 0.00 N ATOM 997 CA ARG A 68 9.420 13.944 -31.974 1.00 0.00 C ATOM 998 C ARG A 68 9.218 13.547 -30.507 1.00 0.00 C ATOM 999 O ARG A 68 9.929 14.019 -29.622 1.00 0.00 O ATOM 1000 CB ARG A 68 8.425 15.065 -32.358 1.00 0.00 C ATOM 1001 CG ARG A 68 8.657 15.712 -33.742 1.00 0.00 C ATOM 1002 CD ARG A 68 7.648 16.846 -34.021 1.00 0.00 C ATOM 1003 NE ARG A 68 6.252 16.371 -33.904 1.00 0.00 N ATOM 1004 CZ ARG A 68 5.205 17.089 -33.469 1.00 0.00 C ATOM 1005 NH1 ARG A 68 5.339 18.352 -33.081 1.00 0.00 N ATOM 1006 NH2 ARG A 68 4.020 16.519 -33.407 1.00 0.00 N ATOM 0 H ARG A 68 8.266 12.516 -32.998 1.00 0.00 H new ATOM 0 HA ARG A 68 10.436 14.317 -32.103 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.415 14.656 -32.332 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.472 15.845 -31.598 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.671 16.107 -33.793 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.572 14.951 -34.518 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.815 17.664 -33.320 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.815 17.245 -35.022 1.00 0.00 H new ATOM 0 HE ARG A 68 6.068 15.407 -34.180 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.255 18.800 -33.109 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.526 18.874 -32.755 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.907 15.545 -33.687 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.214 17.052 -33.078 1.00 0.00 H new ATOM 1020 N PHE A 69 8.218 12.688 -30.263 1.00 0.00 N ATOM 1021 CA PHE A 69 7.830 12.247 -28.909 1.00 0.00 C ATOM 1022 C PHE A 69 8.249 10.783 -28.708 1.00 0.00 C ATOM 1023 O PHE A 69 7.870 9.909 -29.496 1.00 0.00 O ATOM 1024 CB PHE A 69 6.300 12.422 -28.698 1.00 0.00 C ATOM 1025 CG PHE A 69 5.818 13.881 -28.660 1.00 0.00 C ATOM 1026 CD1 PHE A 69 5.282 14.438 -27.498 1.00 0.00 C ATOM 1027 CD2 PHE A 69 5.886 14.693 -29.794 1.00 0.00 C ATOM 1028 CE1 PHE A 69 4.847 15.749 -27.472 1.00 0.00 C ATOM 1029 CE2 PHE A 69 5.455 16.003 -29.767 1.00 0.00 C ATOM 1030 CZ PHE A 69 4.930 16.529 -28.608 1.00 0.00 C ATOM 0 H PHE A 69 7.650 12.275 -31.003 1.00 0.00 H new ATOM 0 HA PHE A 69 8.340 12.863 -28.169 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.775 11.901 -29.499 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.018 11.936 -27.764 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.206 13.835 -26.605 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.285 14.287 -30.712 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.441 16.164 -26.561 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.529 16.615 -30.654 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.583 17.552 -28.588 1.00 0.00 H new ATOM 1040 N THR A 70 9.058 10.538 -27.667 1.00 0.00 N ATOM 1041 CA THR A 70 9.573 9.203 -27.317 1.00 0.00 C ATOM 1042 C THR A 70 9.535 9.037 -25.787 1.00 0.00 C ATOM 1043 O THR A 70 9.621 10.024 -25.053 1.00 0.00 O ATOM 1044 CB THR A 70 11.042 9.015 -27.845 1.00 0.00 C ATOM 1045 OG1 THR A 70 11.100 9.361 -29.238 1.00 0.00 O ATOM 1046 CG2 THR A 70 11.562 7.572 -27.665 1.00 0.00 C ATOM 0 H THR A 70 9.378 11.271 -27.034 1.00 0.00 H new ATOM 0 HA THR A 70 8.947 8.444 -27.787 1.00 0.00 H new ATOM 0 HB THR A 70 11.680 9.672 -27.253 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.016 9.245 -29.566 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.580 7.502 -28.047 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.553 7.311 -26.607 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.920 6.883 -28.214 1.00 0.00 H new ATOM 1054 N ILE A 71 9.405 7.786 -25.314 1.00 0.00 N ATOM 1055 CA ILE A 71 9.363 7.454 -23.879 1.00 0.00 C ATOM 1056 C ILE A 71 10.375 6.358 -23.554 1.00 0.00 C ATOM 1057 O ILE A 71 10.769 5.585 -24.427 1.00 0.00 O ATOM 1058 CB ILE A 71 7.927 7.023 -23.366 1.00 0.00 C ATOM 1059 CG1 ILE A 71 7.321 5.800 -24.138 1.00 0.00 C ATOM 1060 CG2 ILE A 71 6.963 8.214 -23.382 1.00 0.00 C ATOM 1061 CD1 ILE A 71 6.920 6.026 -25.590 1.00 0.00 C ATOM 0 H ILE A 71 9.325 6.970 -25.921 1.00 0.00 H new ATOM 0 HA ILE A 71 9.621 8.373 -23.353 1.00 0.00 H new ATOM 0 HB ILE A 71 8.063 6.688 -22.338 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.048 4.988 -24.110 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.441 5.458 -23.593 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.984 7.894 -23.026 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.346 9.001 -22.732 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.872 8.595 -24.399 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.517 5.102 -26.004 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.162 6.808 -25.641 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.794 6.330 -26.166 1.00 0.00 H new ATOM 1073 N SER A 72 10.790 6.314 -22.283 1.00 0.00 N ATOM 1074 CA SER A 72 11.750 5.323 -21.783 1.00 0.00 C ATOM 1075 C SER A 72 11.538 5.124 -20.281 1.00 0.00 C ATOM 1076 O SER A 72 11.404 6.098 -19.543 1.00 0.00 O ATOM 1077 CB SER A 72 13.198 5.793 -22.071 1.00 0.00 C ATOM 1078 OG SER A 72 14.158 4.831 -21.660 1.00 0.00 O ATOM 0 H SER A 72 10.468 6.968 -21.569 1.00 0.00 H new ATOM 0 HA SER A 72 11.591 4.373 -22.293 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.312 5.987 -23.138 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.384 6.735 -21.555 1.00 0.00 H new ATOM 0 HG SER A 72 15.059 5.162 -21.859 1.00 0.00 H new ATOM 1084 N ARG A 73 11.509 3.862 -19.829 1.00 0.00 N ATOM 1085 CA ARG A 73 11.442 3.533 -18.394 1.00 0.00 C ATOM 1086 C ARG A 73 12.777 2.910 -17.969 1.00 0.00 C ATOM 1087 O ARG A 73 13.170 1.869 -18.495 1.00 0.00 O ATOM 1088 CB ARG A 73 10.271 2.544 -18.118 1.00 0.00 C ATOM 1089 CG ARG A 73 10.121 2.086 -16.642 1.00 0.00 C ATOM 1090 CD ARG A 73 8.984 1.059 -16.451 1.00 0.00 C ATOM 1091 NE ARG A 73 8.839 0.637 -15.041 1.00 0.00 N ATOM 1092 CZ ARG A 73 7.863 -0.162 -14.563 1.00 0.00 C ATOM 1093 NH1 ARG A 73 6.970 -0.728 -15.375 1.00 0.00 N ATOM 1094 NH2 ARG A 73 7.797 -0.402 -13.262 1.00 0.00 N ATOM 0 H ARG A 73 11.531 3.046 -20.440 1.00 0.00 H new ATOM 0 HA ARG A 73 11.260 4.440 -17.818 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.339 3.014 -18.431 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.408 1.661 -18.743 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.061 1.649 -16.304 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.929 2.956 -16.013 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.045 1.491 -16.797 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.180 0.184 -17.071 1.00 0.00 H new ATOM 0 HE ARG A 73 9.533 0.978 -14.376 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.016 -0.560 -16.380 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.240 -1.329 -14.991 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.481 0.016 -12.631 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.063 -1.005 -12.891 1.00 0.00 H new ATOM 1108 N ASP A 74 13.462 3.545 -17.010 1.00 0.00 N ATOM 1109 CA ASP A 74 14.679 2.997 -16.404 1.00 0.00 C ATOM 1110 C ASP A 74 14.279 2.176 -15.185 1.00 0.00 C ATOM 1111 O ASP A 74 13.922 2.749 -14.160 1.00 0.00 O ATOM 1112 CB ASP A 74 15.677 4.126 -16.004 1.00 0.00 C ATOM 1113 CG ASP A 74 16.296 4.876 -17.201 1.00 0.00 C ATOM 1114 OD1 ASP A 74 16.487 4.265 -18.276 1.00 0.00 O ATOM 1115 OD2 ASP A 74 16.641 6.068 -17.051 1.00 0.00 O ATOM 0 H ASP A 74 13.187 4.452 -16.633 1.00 0.00 H new ATOM 0 HA ASP A 74 15.190 2.366 -17.131 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.160 4.844 -15.368 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.479 3.692 -15.407 1.00 0.00 H new ATOM 1120 N ASN A 75 14.320 0.838 -15.322 1.00 0.00 N ATOM 1121 CA ASN A 75 13.961 -0.108 -14.241 1.00 0.00 C ATOM 1122 C ASN A 75 14.919 0.044 -13.029 1.00 0.00 C ATOM 1123 O ASN A 75 14.543 -0.252 -11.889 1.00 0.00 O ATOM 1124 CB ASN A 75 14.012 -1.566 -14.790 1.00 0.00 C ATOM 1125 CG ASN A 75 13.510 -2.630 -13.801 1.00 0.00 C ATOM 1126 OD1 ASN A 75 12.593 -2.383 -13.024 1.00 0.00 O ATOM 1127 ND2 ASN A 75 14.124 -3.808 -13.810 1.00 0.00 N ATOM 0 H ASN A 75 14.603 0.378 -16.187 1.00 0.00 H new ATOM 0 HA ASN A 75 12.951 0.117 -13.900 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.414 -1.621 -15.700 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.039 -1.801 -15.069 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.836 -4.538 -13.158 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.883 -3.982 -14.469 1.00 0.00 H new ATOM 1134 N ALA A 76 16.156 0.514 -13.320 1.00 0.00 N ATOM 1135 CA ALA A 76 17.224 0.744 -12.330 1.00 0.00 C ATOM 1136 C ALA A 76 16.743 1.601 -11.139 1.00 0.00 C ATOM 1137 O ALA A 76 16.879 1.200 -9.980 1.00 0.00 O ATOM 1138 CB ALA A 76 18.431 1.408 -13.017 1.00 0.00 C ATOM 0 H ALA A 76 16.440 0.747 -14.271 1.00 0.00 H new ATOM 0 HA ALA A 76 17.518 -0.225 -11.926 1.00 0.00 H new ATOM 0 HB1 ALA A 76 19.219 1.577 -12.284 1.00 0.00 H new ATOM 0 HB2 ALA A 76 18.804 0.756 -13.807 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.125 2.362 -13.448 1.00 0.00 H new ATOM 1144 N LYS A 77 16.174 2.780 -11.432 1.00 0.00 N ATOM 1145 CA LYS A 77 15.658 3.701 -10.388 1.00 0.00 C ATOM 1146 C LYS A 77 14.154 3.978 -10.556 1.00 0.00 C ATOM 1147 O LYS A 77 13.610 4.840 -9.859 1.00 0.00 O ATOM 1148 CB LYS A 77 16.487 5.022 -10.315 1.00 0.00 C ATOM 1149 CG LYS A 77 16.619 5.861 -11.611 1.00 0.00 C ATOM 1150 CD LYS A 77 17.613 5.271 -12.649 1.00 0.00 C ATOM 1151 CE LYS A 77 18.105 6.327 -13.661 1.00 0.00 C ATOM 1152 NZ LYS A 77 16.989 7.030 -14.360 1.00 0.00 N ATOM 0 H LYS A 77 16.056 3.126 -12.384 1.00 0.00 H new ATOM 0 HA LYS A 77 15.782 3.194 -9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 77 16.041 5.656 -9.549 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.491 4.770 -9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.637 5.951 -12.075 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.941 6.869 -11.348 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.470 4.846 -12.126 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.131 4.454 -13.186 1.00 0.00 H new ATOM 0 HE2 LYS A 77 18.720 7.061 -13.141 1.00 0.00 H new ATOM 0 HE3 LYS A 77 18.743 5.843 -14.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 16.932 6.698 -15.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.092 6.828 -13.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 17.164 8.055 -14.351 1.00 0.00 H new ATOM 1166 N ASN A 78 13.495 3.192 -11.439 1.00 0.00 N ATOM 1167 CA ASN A 78 12.060 3.324 -11.787 1.00 0.00 C ATOM 1168 C ASN A 78 11.648 4.778 -12.033 1.00 0.00 C ATOM 1169 O ASN A 78 10.935 5.393 -11.233 1.00 0.00 O ATOM 1170 CB ASN A 78 11.135 2.602 -10.765 1.00 0.00 C ATOM 1171 CG ASN A 78 11.017 1.107 -11.062 1.00 0.00 C ATOM 1172 OD1 ASN A 78 10.125 0.684 -11.806 1.00 0.00 O ATOM 1173 ND2 ASN A 78 11.913 0.304 -10.505 1.00 0.00 N ATOM 0 H ASN A 78 13.955 2.432 -11.940 1.00 0.00 H new ATOM 0 HA ASN A 78 11.924 2.808 -12.738 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.527 2.742 -9.758 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.144 3.056 -10.788 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.880 -0.699 -10.685 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.635 0.690 -9.896 1.00 0.00 H new ATOM 1180 N THR A 79 12.177 5.333 -13.121 1.00 0.00 N ATOM 1181 CA THR A 79 11.858 6.689 -13.566 1.00 0.00 C ATOM 1182 C THR A 79 11.505 6.648 -15.064 1.00 0.00 C ATOM 1183 O THR A 79 12.236 6.059 -15.866 1.00 0.00 O ATOM 1184 CB THR A 79 13.058 7.661 -13.289 1.00 0.00 C ATOM 1185 OG1 THR A 79 13.427 7.600 -11.894 1.00 0.00 O ATOM 1186 CG2 THR A 79 12.725 9.119 -13.659 1.00 0.00 C ATOM 0 H THR A 79 12.844 4.851 -13.724 1.00 0.00 H new ATOM 0 HA THR A 79 11.002 7.069 -13.007 1.00 0.00 H new ATOM 0 HB THR A 79 13.887 7.336 -13.917 1.00 0.00 H new ATOM 0 HG1 THR A 79 14.178 8.208 -11.727 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.586 9.753 -13.449 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.480 9.178 -14.719 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.873 9.458 -13.070 1.00 0.00 H new ATOM 1194 N VAL A 80 10.378 7.278 -15.418 1.00 0.00 N ATOM 1195 CA VAL A 80 9.827 7.288 -16.777 1.00 0.00 C ATOM 1196 C VAL A 80 10.021 8.677 -17.398 1.00 0.00 C ATOM 1197 O VAL A 80 9.660 9.690 -16.799 1.00 0.00 O ATOM 1198 CB VAL A 80 8.304 6.909 -16.763 1.00 0.00 C ATOM 1199 CG1 VAL A 80 7.704 6.909 -18.188 1.00 0.00 C ATOM 1200 CG2 VAL A 80 8.081 5.544 -16.066 1.00 0.00 C ATOM 0 H VAL A 80 9.813 7.806 -14.753 1.00 0.00 H new ATOM 0 HA VAL A 80 10.355 6.546 -17.376 1.00 0.00 H new ATOM 0 HB VAL A 80 7.780 7.673 -16.189 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.648 6.642 -18.138 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.807 7.902 -18.626 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.233 6.183 -18.806 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.018 5.303 -16.069 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.630 4.769 -16.600 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.438 5.598 -15.038 1.00 0.00 H new ATOM 1210 N TYR A 81 10.606 8.705 -18.595 1.00 0.00 N ATOM 1211 CA TYR A 81 10.946 9.941 -19.315 1.00 0.00 C ATOM 1212 C TYR A 81 10.056 10.104 -20.551 1.00 0.00 C ATOM 1213 O TYR A 81 9.608 9.111 -21.127 1.00 0.00 O ATOM 1214 CB TYR A 81 12.441 9.919 -19.733 1.00 0.00 C ATOM 1215 CG TYR A 81 13.408 9.780 -18.549 1.00 0.00 C ATOM 1216 CD1 TYR A 81 13.664 8.532 -17.980 1.00 0.00 C ATOM 1217 CD2 TYR A 81 14.044 10.894 -17.988 1.00 0.00 C ATOM 1218 CE1 TYR A 81 14.507 8.397 -16.902 1.00 0.00 C ATOM 1219 CE2 TYR A 81 14.897 10.759 -16.909 1.00 0.00 C ATOM 1220 CZ TYR A 81 15.123 9.508 -16.368 1.00 0.00 C ATOM 1221 OH TYR A 81 15.960 9.365 -15.284 1.00 0.00 O ATOM 0 H TYR A 81 10.863 7.859 -19.103 1.00 0.00 H new ATOM 0 HA TYR A 81 10.775 10.788 -18.651 1.00 0.00 H new ATOM 0 HB2 TYR A 81 12.604 9.092 -20.424 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.672 10.837 -20.274 1.00 0.00 H new ATOM 0 HD1 TYR A 81 13.191 7.654 -18.395 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.865 11.874 -18.405 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.686 7.422 -16.474 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.385 11.627 -16.491 1.00 0.00 H new ATOM 0 HH TYR A 81 16.316 10.241 -15.028 1.00 0.00 H new ATOM 1231 N LEU A 82 9.808 11.364 -20.941 1.00 0.00 N ATOM 1232 CA LEU A 82 9.103 11.711 -22.186 1.00 0.00 C ATOM 1233 C LEU A 82 9.903 12.801 -22.913 1.00 0.00 C ATOM 1234 O LEU A 82 9.844 13.979 -22.549 1.00 0.00 O ATOM 1235 CB LEU A 82 7.652 12.180 -21.876 1.00 0.00 C ATOM 1236 CG LEU A 82 6.809 12.729 -23.077 1.00 0.00 C ATOM 1237 CD1 LEU A 82 6.628 11.688 -24.200 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.450 13.265 -22.591 1.00 0.00 C ATOM 0 H LEU A 82 10.093 12.178 -20.397 1.00 0.00 H new ATOM 0 HA LEU A 82 9.027 10.835 -22.831 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.111 11.341 -21.438 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.703 12.958 -21.115 1.00 0.00 H new ATOM 0 HG LEU A 82 7.373 13.556 -23.509 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.037 12.122 -25.006 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.605 11.394 -24.584 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.115 10.812 -23.804 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.882 13.641 -23.442 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.893 12.461 -22.109 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.612 14.073 -21.877 1.00 0.00 H new ATOM 1250 N GLN A 83 10.692 12.392 -23.916 1.00 0.00 N ATOM 1251 CA GLN A 83 11.472 13.315 -24.748 1.00 0.00 C ATOM 1252 C GLN A 83 10.576 13.886 -25.853 1.00 0.00 C ATOM 1253 O GLN A 83 10.264 13.197 -26.825 1.00 0.00 O ATOM 1254 CB GLN A 83 12.718 12.602 -25.350 1.00 0.00 C ATOM 1255 CG GLN A 83 13.633 13.502 -26.218 1.00 0.00 C ATOM 1256 CD GLN A 83 14.170 14.731 -25.473 1.00 0.00 C ATOM 1257 OE1 GLN A 83 15.217 14.672 -24.826 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.464 15.857 -25.572 1.00 0.00 N ATOM 0 H GLN A 83 10.807 11.411 -24.172 1.00 0.00 H new ATOM 0 HA GLN A 83 11.834 14.135 -24.128 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.310 12.188 -24.534 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.379 11.762 -25.957 1.00 0.00 H new ATOM 0 HG2 GLN A 83 14.474 12.910 -26.579 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.077 13.833 -27.095 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.601 15.872 -26.116 1.00 0.00 H new ATOM 0 HE22 GLN A 83 13.787 16.704 -25.104 1.00 0.00 H new ATOM 1267 N MET A 84 10.131 15.132 -25.656 1.00 0.00 N ATOM 1268 CA MET A 84 9.339 15.878 -26.641 1.00 0.00 C ATOM 1269 C MET A 84 10.284 16.764 -27.464 1.00 0.00 C ATOM 1270 O MET A 84 11.144 17.439 -26.894 1.00 0.00 O ATOM 1271 CB MET A 84 8.275 16.751 -25.926 1.00 0.00 C ATOM 1272 CG MET A 84 7.425 16.019 -24.885 1.00 0.00 C ATOM 1273 SD MET A 84 6.002 16.990 -24.326 1.00 0.00 S ATOM 1274 CE MET A 84 6.735 18.529 -23.755 1.00 0.00 C ATOM 0 H MET A 84 10.312 15.656 -24.800 1.00 0.00 H new ATOM 0 HA MET A 84 8.821 15.180 -27.299 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.780 17.585 -25.438 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.612 17.177 -26.679 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.073 15.078 -25.308 1.00 0.00 H new ATOM 0 HG3 MET A 84 8.048 15.769 -24.026 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.176 18.902 -22.897 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.771 18.353 -23.465 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.703 19.267 -24.557 1.00 0.00 H new ATOM 1284 N ASN A 85 10.138 16.741 -28.798 1.00 0.00 N ATOM 1285 CA ASN A 85 10.982 17.531 -29.726 1.00 0.00 C ATOM 1286 C ASN A 85 10.093 18.320 -30.690 1.00 0.00 C ATOM 1287 O ASN A 85 8.990 17.866 -31.006 1.00 0.00 O ATOM 1288 CB ASN A 85 11.950 16.610 -30.526 1.00 0.00 C ATOM 1289 CG ASN A 85 12.950 15.844 -29.653 1.00 0.00 C ATOM 1290 OD1 ASN A 85 13.343 16.300 -28.582 1.00 0.00 O ATOM 1291 ND2 ASN A 85 13.381 14.680 -30.114 1.00 0.00 N ATOM 0 H ASN A 85 9.432 16.176 -29.270 1.00 0.00 H new ATOM 0 HA ASN A 85 11.583 18.224 -29.137 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.362 15.894 -31.100 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.501 17.217 -31.244 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.057 14.137 -29.576 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.037 14.326 -31.007 1.00 0.00 H new ATOM 1298 N SER A 86 10.594 19.498 -31.134 1.00 0.00 N ATOM 1299 CA SER A 86 9.925 20.392 -32.113 1.00 0.00 C ATOM 1300 C SER A 86 8.440 20.614 -31.742 1.00 0.00 C ATOM 1301 O SER A 86 7.519 20.105 -32.397 1.00 0.00 O ATOM 1302 CB SER A 86 10.107 19.859 -33.562 1.00 0.00 C ATOM 1303 OG SER A 86 9.674 20.797 -34.538 1.00 0.00 O ATOM 0 H SER A 86 11.492 19.861 -30.816 1.00 0.00 H new ATOM 0 HA SER A 86 10.404 21.370 -32.073 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.157 19.621 -33.730 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.547 18.931 -33.679 1.00 0.00 H new ATOM 0 HG SER A 86 9.808 20.422 -35.434 1.00 0.00 H new ATOM 1309 N LEU A 87 8.250 21.331 -30.637 1.00 0.00 N ATOM 1310 CA LEU A 87 6.951 21.511 -29.984 1.00 0.00 C ATOM 1311 C LEU A 87 6.128 22.606 -30.662 1.00 0.00 C ATOM 1312 O LEU A 87 6.663 23.466 -31.355 1.00 0.00 O ATOM 1313 CB LEU A 87 7.183 21.823 -28.482 1.00 0.00 C ATOM 1314 CG LEU A 87 7.674 20.607 -27.631 1.00 0.00 C ATOM 1315 CD1 LEU A 87 8.159 21.035 -26.231 1.00 0.00 C ATOM 1316 CD2 LEU A 87 6.562 19.538 -27.543 1.00 0.00 C ATOM 0 H LEU A 87 9.010 21.815 -30.158 1.00 0.00 H new ATOM 0 HA LEU A 87 6.374 20.590 -30.075 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.916 22.626 -28.401 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.252 22.196 -28.054 1.00 0.00 H new ATOM 0 HG LEU A 87 8.537 20.171 -28.135 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.490 20.157 -25.677 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.988 21.735 -26.332 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.341 21.516 -25.694 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.914 18.695 -26.948 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.678 19.970 -27.073 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.308 19.194 -28.546 1.00 0.00 H new ATOM 1328 N LYS A 88 4.817 22.538 -30.471 1.00 0.00 N ATOM 1329 CA LYS A 88 3.861 23.516 -31.002 1.00 0.00 C ATOM 1330 C LYS A 88 3.437 24.459 -29.861 1.00 0.00 C ATOM 1331 O LYS A 88 3.415 24.027 -28.708 1.00 0.00 O ATOM 1332 CB LYS A 88 2.638 22.758 -31.580 1.00 0.00 C ATOM 1333 CG LYS A 88 2.977 21.658 -32.615 1.00 0.00 C ATOM 1334 CD LYS A 88 3.598 22.200 -33.926 1.00 0.00 C ATOM 1335 CE LYS A 88 2.643 23.126 -34.701 1.00 0.00 C ATOM 1336 NZ LYS A 88 3.154 23.449 -36.052 1.00 0.00 N ATOM 0 H LYS A 88 4.375 21.791 -29.935 1.00 0.00 H new ATOM 0 HA LYS A 88 4.311 24.108 -31.799 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.089 22.303 -30.755 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.969 23.481 -32.047 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.670 20.948 -32.163 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.068 21.107 -32.856 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.513 22.744 -33.691 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.880 21.361 -34.563 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.667 22.649 -34.788 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.498 24.048 -34.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.480 24.074 -36.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.073 23.928 -35.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.268 22.572 -36.599 1.00 0.00 H new ATOM 1350 N PRO A 89 3.091 25.757 -30.143 1.00 0.00 N ATOM 1351 CA PRO A 89 2.665 26.722 -29.090 1.00 0.00 C ATOM 1352 C PRO A 89 1.414 26.251 -28.299 1.00 0.00 C ATOM 1353 O PRO A 89 1.190 26.667 -27.150 1.00 0.00 O ATOM 1354 CB PRO A 89 2.391 28.029 -29.888 1.00 0.00 C ATOM 1355 CG PRO A 89 2.194 27.587 -31.307 1.00 0.00 C ATOM 1356 CD PRO A 89 3.105 26.395 -31.485 1.00 0.00 C ATOM 0 HA PRO A 89 3.423 26.842 -28.316 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.508 28.544 -29.509 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.226 28.724 -29.804 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.154 27.319 -31.494 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.448 28.384 -32.006 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.738 25.719 -32.257 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.111 26.696 -31.778 1.00 0.00 H new ATOM 1364 N GLU A 90 0.622 25.363 -28.930 1.00 0.00 N ATOM 1365 CA GLU A 90 -0.603 24.775 -28.342 1.00 0.00 C ATOM 1366 C GLU A 90 -0.289 23.805 -27.172 1.00 0.00 C ATOM 1367 O GLU A 90 -1.186 23.457 -26.398 1.00 0.00 O ATOM 1368 CB GLU A 90 -1.387 24.041 -29.456 1.00 0.00 C ATOM 1369 CG GLU A 90 -0.637 22.832 -30.064 1.00 0.00 C ATOM 1370 CD GLU A 90 -1.284 22.295 -31.347 1.00 0.00 C ATOM 1371 OE1 GLU A 90 -0.988 22.838 -32.437 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -2.091 21.342 -31.277 1.00 0.00 O ATOM 0 H GLU A 90 0.815 25.028 -29.874 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.204 25.582 -27.924 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.339 23.698 -29.050 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.617 24.750 -30.251 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.391 23.123 -30.279 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.594 22.032 -29.325 1.00 0.00 H new ATOM 1379 N ASP A 91 0.995 23.394 -27.041 1.00 0.00 N ATOM 1380 CA ASP A 91 1.464 22.499 -25.958 1.00 0.00 C ATOM 1381 C ASP A 91 1.722 23.274 -24.640 1.00 0.00 C ATOM 1382 O ASP A 91 2.551 22.865 -23.829 1.00 0.00 O ATOM 1383 CB ASP A 91 2.749 21.740 -26.404 1.00 0.00 C ATOM 1384 CG ASP A 91 2.505 20.722 -27.531 1.00 0.00 C ATOM 1385 OD1 ASP A 91 1.900 19.672 -27.254 1.00 0.00 O ATOM 1386 OD2 ASP A 91 2.922 20.960 -28.684 1.00 0.00 O ATOM 0 H ASP A 91 1.735 23.675 -27.685 1.00 0.00 H new ATOM 0 HA ASP A 91 0.673 21.776 -25.762 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.492 22.465 -26.736 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.172 21.222 -25.543 1.00 0.00 H new ATOM 1391 N THR A 92 1.016 24.399 -24.425 1.00 0.00 N ATOM 1392 CA THR A 92 0.941 25.045 -23.107 1.00 0.00 C ATOM 1393 C THR A 92 -0.125 24.308 -22.266 1.00 0.00 C ATOM 1394 O THR A 92 -1.323 24.620 -22.351 1.00 0.00 O ATOM 1395 CB THR A 92 0.616 26.569 -23.247 1.00 0.00 C ATOM 1396 OG1 THR A 92 1.648 27.199 -24.018 1.00 0.00 O ATOM 1397 CG2 THR A 92 0.482 27.285 -21.885 1.00 0.00 C ATOM 0 H THR A 92 0.488 24.880 -25.153 1.00 0.00 H new ATOM 0 HA THR A 92 1.906 24.979 -22.604 1.00 0.00 H new ATOM 0 HB THR A 92 -0.350 26.651 -23.745 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.505 27.013 -24.970 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.256 28.339 -22.049 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.323 26.827 -21.311 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.418 27.196 -21.333 1.00 0.00 H new ATOM 1405 N ALA A 93 0.323 23.303 -21.496 1.00 0.00 N ATOM 1406 CA ALA A 93 -0.566 22.369 -20.780 1.00 0.00 C ATOM 1407 C ALA A 93 0.206 21.609 -19.688 1.00 0.00 C ATOM 1408 O ALA A 93 1.410 21.795 -19.524 1.00 0.00 O ATOM 1409 CB ALA A 93 -1.194 21.382 -21.790 1.00 0.00 C ATOM 0 H ALA A 93 1.315 23.114 -21.351 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.359 22.936 -20.293 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.851 20.691 -21.263 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.770 21.937 -22.531 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.404 20.821 -22.290 1.00 0.00 H new ATOM 1415 N VAL A 94 -0.502 20.774 -18.918 1.00 0.00 N ATOM 1416 CA VAL A 94 0.120 19.863 -17.947 1.00 0.00 C ATOM 1417 C VAL A 94 0.279 18.457 -18.572 1.00 0.00 C ATOM 1418 O VAL A 94 -0.702 17.803 -18.940 1.00 0.00 O ATOM 1419 CB VAL A 94 -0.685 19.819 -16.582 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -2.161 19.381 -16.749 1.00 0.00 C ATOM 1421 CG2 VAL A 94 0.032 18.939 -15.542 1.00 0.00 C ATOM 0 H VAL A 94 -1.520 20.710 -18.949 1.00 0.00 H new ATOM 0 HA VAL A 94 1.112 20.243 -17.703 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.710 20.846 -16.218 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.651 19.373 -15.775 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.676 20.080 -17.408 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.197 18.381 -17.181 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.543 18.928 -14.616 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.122 17.923 -15.926 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.026 19.343 -15.347 1.00 0.00 H new ATOM 1431 N TYR A 95 1.538 18.032 -18.761 1.00 0.00 N ATOM 1432 CA TYR A 95 1.870 16.663 -19.178 1.00 0.00 C ATOM 1433 C TYR A 95 1.961 15.772 -17.933 1.00 0.00 C ATOM 1434 O TYR A 95 2.830 15.972 -17.079 1.00 0.00 O ATOM 1435 CB TYR A 95 3.195 16.629 -19.997 1.00 0.00 C ATOM 1436 CG TYR A 95 3.003 16.852 -21.510 1.00 0.00 C ATOM 1437 CD1 TYR A 95 3.055 15.784 -22.405 1.00 0.00 C ATOM 1438 CD2 TYR A 95 2.760 18.118 -22.042 1.00 0.00 C ATOM 1439 CE1 TYR A 95 2.882 15.969 -23.761 1.00 0.00 C ATOM 1440 CE2 TYR A 95 2.586 18.308 -23.407 1.00 0.00 C ATOM 1441 CZ TYR A 95 2.649 17.226 -24.260 1.00 0.00 C ATOM 1442 OH TYR A 95 2.459 17.390 -25.611 1.00 0.00 O ATOM 0 H TYR A 95 2.354 18.629 -18.629 1.00 0.00 H new ATOM 0 HA TYR A 95 1.085 16.285 -19.833 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.869 17.393 -19.610 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.682 15.666 -19.841 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.235 14.788 -22.028 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.706 18.969 -21.379 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.930 15.123 -24.431 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.402 19.298 -23.798 1.00 0.00 H new ATOM 0 HH TYR A 95 2.273 18.333 -25.803 1.00 0.00 H new ATOM 1452 N LEU A 96 1.027 14.821 -17.826 1.00 0.00 N ATOM 1453 CA LEU A 96 0.953 13.875 -16.708 1.00 0.00 C ATOM 1454 C LEU A 96 1.175 12.449 -17.218 1.00 0.00 C ATOM 1455 O LEU A 96 0.859 12.135 -18.370 1.00 0.00 O ATOM 1456 CB LEU A 96 -0.413 14.037 -15.956 1.00 0.00 C ATOM 1457 CG LEU A 96 -1.747 13.910 -16.798 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -2.199 12.440 -16.991 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -2.891 14.758 -16.186 1.00 0.00 C ATOM 0 H LEU A 96 0.293 14.685 -18.521 1.00 0.00 H new ATOM 0 HA LEU A 96 1.743 14.089 -15.988 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.447 13.291 -15.162 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.415 15.015 -15.474 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.517 14.306 -17.787 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.119 12.416 -17.576 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.421 11.886 -17.516 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.376 11.983 -16.017 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.791 14.646 -16.791 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.092 14.418 -15.170 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.596 15.807 -16.166 1.00 0.00 H new ATOM 1471 N CYS A 97 1.770 11.607 -16.375 1.00 0.00 N ATOM 1472 CA CYS A 97 1.867 10.170 -16.622 1.00 0.00 C ATOM 1473 C CYS A 97 0.722 9.465 -15.891 1.00 0.00 C ATOM 1474 O CYS A 97 0.195 9.978 -14.890 1.00 0.00 O ATOM 1475 CB CYS A 97 3.218 9.623 -16.138 1.00 0.00 C ATOM 1476 SG CYS A 97 3.449 9.734 -14.355 1.00 0.00 S ATOM 0 H CYS A 97 2.200 11.903 -15.499 1.00 0.00 H new ATOM 0 HA CYS A 97 1.794 9.984 -17.694 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.308 8.580 -16.443 1.00 0.00 H new ATOM 0 HB3 CYS A 97 4.020 10.170 -16.634 1.00 0.00 H new ATOM 0 HG CYS A 97 4.705 9.560 -14.068 1.00 0.00 H new ATOM 1482 N ALA A 98 0.344 8.288 -16.385 1.00 0.00 N ATOM 1483 CA ALA A 98 -0.717 7.474 -15.792 1.00 0.00 C ATOM 1484 C ALA A 98 -0.266 6.007 -15.770 1.00 0.00 C ATOM 1485 O ALA A 98 -0.036 5.414 -16.824 1.00 0.00 O ATOM 1486 CB ALA A 98 -2.022 7.659 -16.580 1.00 0.00 C ATOM 0 H ALA A 98 0.767 7.869 -17.213 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.909 7.790 -14.767 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.807 7.050 -16.132 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.317 8.708 -16.554 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.869 7.351 -17.614 1.00 0.00 H new ATOM 1492 N ALA A 99 -0.138 5.436 -14.559 1.00 0.00 N ATOM 1493 CA ALA A 99 0.353 4.060 -14.347 1.00 0.00 C ATOM 1494 C ALA A 99 -0.765 3.172 -13.794 1.00 0.00 C ATOM 1495 O ALA A 99 -1.791 3.673 -13.350 1.00 0.00 O ATOM 1496 CB ALA A 99 1.564 4.064 -13.398 1.00 0.00 C ATOM 0 H ALA A 99 -0.374 5.919 -13.692 1.00 0.00 H new ATOM 0 HA ALA A 99 0.670 3.652 -15.307 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.915 3.042 -13.251 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.364 4.664 -13.832 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.272 4.489 -12.438 1.00 0.00 H new ATOM 1502 N GLY A 100 -0.551 1.854 -13.818 1.00 0.00 N ATOM 1503 CA GLY A 100 -1.539 0.892 -13.338 1.00 0.00 C ATOM 1504 C GLY A 100 -1.172 -0.535 -13.693 1.00 0.00 C ATOM 1505 O GLY A 100 -0.046 -0.806 -14.117 1.00 0.00 O ATOM 0 H GLY A 100 0.307 1.428 -14.169 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.634 0.982 -12.256 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.513 1.131 -13.765 1.00 0.00 H new ATOM 1509 N VAL A 101 -2.131 -1.451 -13.539 1.00 0.00 N ATOM 1510 CA VAL A 101 -1.911 -2.897 -13.729 1.00 0.00 C ATOM 1511 C VAL A 101 -2.670 -3.426 -14.963 1.00 0.00 C ATOM 1512 O VAL A 101 -3.497 -2.715 -15.557 1.00 0.00 O ATOM 1513 CB VAL A 101 -2.341 -3.699 -12.442 1.00 0.00 C ATOM 1514 CG1 VAL A 101 -1.468 -3.299 -11.220 1.00 0.00 C ATOM 1515 CG2 VAL A 101 -3.854 -3.517 -12.138 1.00 0.00 C ATOM 0 H VAL A 101 -3.088 -1.215 -13.278 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.845 -3.047 -13.898 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.174 -4.758 -12.640 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.785 -3.867 -10.345 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.421 -3.516 -11.434 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.584 -2.233 -11.023 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -4.116 -4.083 -11.244 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.068 -2.461 -11.974 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -4.441 -3.879 -12.982 1.00 0.00 H new ATOM 1525 N TRP A 102 -2.363 -4.686 -15.331 1.00 0.00 N ATOM 1526 CA TRP A 102 -3.069 -5.430 -16.394 1.00 0.00 C ATOM 1527 C TRP A 102 -4.528 -5.713 -15.990 1.00 0.00 C ATOM 1528 O TRP A 102 -4.853 -5.774 -14.799 1.00 0.00 O ATOM 1529 CB TRP A 102 -2.326 -6.765 -16.705 1.00 0.00 C ATOM 1530 CG TRP A 102 -2.218 -7.715 -15.523 1.00 0.00 C ATOM 1531 CD1 TRP A 102 -1.245 -7.728 -14.558 1.00 0.00 C ATOM 1532 CD2 TRP A 102 -3.126 -8.783 -15.181 1.00 0.00 C ATOM 1533 NE1 TRP A 102 -1.494 -8.722 -13.649 1.00 0.00 N ATOM 1534 CE2 TRP A 102 -2.638 -9.385 -14.007 1.00 0.00 C ATOM 1535 CE3 TRP A 102 -4.303 -9.284 -15.756 1.00 0.00 C ATOM 1536 CZ2 TRP A 102 -3.281 -10.456 -13.395 1.00 0.00 C ATOM 1537 CZ3 TRP A 102 -4.940 -10.347 -15.147 1.00 0.00 C ATOM 1538 CH2 TRP A 102 -4.428 -10.922 -13.977 1.00 0.00 C ATOM 0 H TRP A 102 -1.612 -5.221 -14.895 1.00 0.00 H new ATOM 0 HA TRP A 102 -3.077 -4.814 -17.293 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -2.844 -7.274 -17.518 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.322 -6.533 -17.062 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.403 -7.052 -14.520 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -0.918 -8.935 -12.834 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -4.704 -8.846 -16.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -2.889 -10.903 -12.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -5.848 -10.741 -15.580 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.950 -11.752 -13.524 1.00 0.00 H new ATOM 1549 N ARG A 103 -5.390 -5.910 -16.996 1.00 0.00 N ATOM 1550 CA ARG A 103 -6.812 -6.229 -16.794 1.00 0.00 C ATOM 1551 C ARG A 103 -7.249 -7.373 -17.717 1.00 0.00 C ATOM 1552 O ARG A 103 -6.842 -7.435 -18.879 1.00 0.00 O ATOM 1553 CB ARG A 103 -7.692 -4.961 -17.018 1.00 0.00 C ATOM 1554 CG ARG A 103 -7.683 -3.995 -15.812 1.00 0.00 C ATOM 1555 CD ARG A 103 -8.403 -2.666 -16.090 1.00 0.00 C ATOM 1556 NE ARG A 103 -8.700 -1.914 -14.854 1.00 0.00 N ATOM 1557 CZ ARG A 103 -7.805 -1.251 -14.096 1.00 0.00 C ATOM 1558 NH1 ARG A 103 -6.510 -1.217 -14.403 1.00 0.00 N ATOM 1559 NH2 ARG A 103 -8.224 -0.626 -13.012 1.00 0.00 N ATOM 0 H ARG A 103 -5.121 -5.853 -17.978 1.00 0.00 H new ATOM 0 HA ARG A 103 -6.949 -6.560 -15.765 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -7.337 -4.432 -17.902 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.718 -5.269 -17.221 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -8.155 -4.484 -14.960 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.651 -3.788 -15.529 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.785 -2.052 -16.745 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -9.333 -2.865 -16.623 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.672 -1.895 -14.546 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -6.170 -1.702 -15.233 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.858 -0.706 -13.808 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -9.212 -0.650 -12.759 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -7.560 -0.119 -12.427 1.00 0.00 H new ATOM 1573 N SER A 104 -8.120 -8.250 -17.182 1.00 0.00 N ATOM 1574 CA SER A 104 -8.706 -9.389 -17.919 1.00 0.00 C ATOM 1575 C SER A 104 -9.892 -8.929 -18.798 1.00 0.00 C ATOM 1576 O SER A 104 -10.379 -9.687 -19.645 1.00 0.00 O ATOM 1577 CB SER A 104 -9.154 -10.475 -16.912 1.00 0.00 C ATOM 1578 OG SER A 104 -8.068 -10.876 -16.092 1.00 0.00 O ATOM 0 H SER A 104 -8.441 -8.188 -16.216 1.00 0.00 H new ATOM 0 HA SER A 104 -7.951 -9.808 -18.584 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.963 -10.091 -16.291 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.548 -11.337 -17.450 1.00 0.00 H new ATOM 0 HG SER A 104 -8.371 -11.562 -15.461 1.00 0.00 H new ATOM 1584 N SER A 105 -10.346 -7.677 -18.574 1.00 0.00 N ATOM 1585 CA SER A 105 -11.348 -7.005 -19.430 1.00 0.00 C ATOM 1586 C SER A 105 -10.796 -6.775 -20.857 1.00 0.00 C ATOM 1587 O SER A 105 -11.559 -6.640 -21.820 1.00 0.00 O ATOM 1588 CB SER A 105 -11.765 -5.663 -18.781 1.00 0.00 C ATOM 1589 OG SER A 105 -12.252 -5.853 -17.459 1.00 0.00 O ATOM 0 H SER A 105 -10.028 -7.103 -17.793 1.00 0.00 H new ATOM 0 HA SER A 105 -12.224 -7.648 -19.517 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.911 -4.986 -18.761 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.535 -5.187 -19.389 1.00 0.00 H new ATOM 0 HG SER A 105 -12.505 -4.987 -17.076 1.00 0.00 H new ATOM 1595 N GLY A 106 -9.456 -6.737 -20.966 1.00 0.00 N ATOM 1596 CA GLY A 106 -8.753 -6.581 -22.244 1.00 0.00 C ATOM 1597 C GLY A 106 -8.334 -5.143 -22.503 1.00 0.00 C ATOM 1598 O GLY A 106 -7.308 -4.892 -23.151 1.00 0.00 O ATOM 0 H GLY A 106 -8.831 -6.814 -20.164 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.870 -7.221 -22.250 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -9.398 -6.920 -23.054 1.00 0.00 H new ATOM 1602 N TRP A 107 -9.126 -4.196 -21.979 1.00 0.00 N ATOM 1603 CA TRP A 107 -8.837 -2.762 -22.089 1.00 0.00 C ATOM 1604 C TRP A 107 -7.734 -2.371 -21.096 1.00 0.00 C ATOM 1605 O TRP A 107 -7.899 -2.543 -19.879 1.00 0.00 O ATOM 1606 CB TRP A 107 -10.113 -1.916 -21.844 1.00 0.00 C ATOM 1607 CG TRP A 107 -11.190 -2.134 -22.880 1.00 0.00 C ATOM 1608 CD1 TRP A 107 -11.221 -1.629 -24.150 1.00 0.00 C ATOM 1609 CD2 TRP A 107 -12.391 -2.905 -22.730 1.00 0.00 C ATOM 1610 NE1 TRP A 107 -12.348 -2.054 -24.798 1.00 0.00 N ATOM 1611 CE2 TRP A 107 -13.086 -2.833 -23.948 1.00 0.00 C ATOM 1612 CE3 TRP A 107 -12.942 -3.651 -21.683 1.00 0.00 C ATOM 1613 CZ2 TRP A 107 -14.301 -3.477 -24.151 1.00 0.00 C ATOM 1614 CZ3 TRP A 107 -14.150 -4.289 -21.884 1.00 0.00 C ATOM 1615 CH2 TRP A 107 -14.819 -4.198 -23.110 1.00 0.00 C ATOM 0 H TRP A 107 -9.984 -4.404 -21.468 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.490 -2.558 -23.102 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.514 -2.155 -20.859 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -9.842 -0.860 -21.830 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -10.465 -0.988 -24.579 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -12.598 -1.827 -25.760 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -12.432 -3.727 -20.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -14.818 -3.411 -25.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -14.585 -4.867 -21.083 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -15.763 -4.707 -23.237 1.00 0.00 H new ATOM 1626 N ASP A 108 -6.602 -1.890 -21.637 1.00 0.00 N ATOM 1627 CA ASP A 108 -5.515 -1.298 -20.845 1.00 0.00 C ATOM 1628 C ASP A 108 -6.039 -0.021 -20.176 1.00 0.00 C ATOM 1629 O ASP A 108 -6.492 0.901 -20.865 1.00 0.00 O ATOM 1630 CB ASP A 108 -4.296 -0.974 -21.751 1.00 0.00 C ATOM 1631 CG ASP A 108 -3.114 -0.327 -20.991 1.00 0.00 C ATOM 1632 OD1 ASP A 108 -3.034 0.927 -20.935 1.00 0.00 O ATOM 1633 OD2 ASP A 108 -2.269 -1.070 -20.450 1.00 0.00 O ATOM 0 H ASP A 108 -6.416 -1.902 -22.640 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.186 -2.006 -20.084 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -3.952 -1.893 -22.226 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.615 -0.303 -22.549 1.00 0.00 H new ATOM 1638 N THR A 109 -6.010 0.010 -18.842 1.00 0.00 N ATOM 1639 CA THR A 109 -6.571 1.113 -18.058 1.00 0.00 C ATOM 1640 C THR A 109 -5.625 1.434 -16.874 1.00 0.00 C ATOM 1641 O THR A 109 -5.228 0.518 -16.149 1.00 0.00 O ATOM 1642 CB THR A 109 -8.005 0.747 -17.536 1.00 0.00 C ATOM 1643 OG1 THR A 109 -8.827 0.278 -18.628 1.00 0.00 O ATOM 1644 CG2 THR A 109 -8.696 1.940 -16.862 1.00 0.00 C ATOM 0 H THR A 109 -5.597 -0.730 -18.274 1.00 0.00 H new ATOM 0 HA THR A 109 -6.661 1.994 -18.693 1.00 0.00 H new ATOM 0 HB THR A 109 -7.884 -0.040 -16.791 1.00 0.00 H new ATOM 0 HG1 THR A 109 -8.491 -0.587 -18.942 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.685 1.640 -16.517 1.00 0.00 H new ATOM 0 HG22 THR A 109 -8.100 2.273 -16.012 1.00 0.00 H new ATOM 0 HG23 THR A 109 -8.794 2.756 -17.578 1.00 0.00 H new ATOM 1652 N PRO A 110 -5.214 2.730 -16.680 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.402 3.140 -15.514 1.00 0.00 C ATOM 1654 C PRO A 110 -5.248 3.246 -14.224 1.00 0.00 C ATOM 1655 O PRO A 110 -6.436 3.589 -14.263 1.00 0.00 O ATOM 1656 CB PRO A 110 -3.840 4.516 -15.945 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.892 5.076 -16.857 1.00 0.00 C ATOM 1658 CD PRO A 110 -5.486 3.882 -17.586 1.00 0.00 C ATOM 0 HA PRO A 110 -3.624 2.418 -15.267 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -3.673 5.165 -15.085 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -2.883 4.412 -16.457 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.656 5.609 -16.291 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.461 5.789 -17.560 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.555 4.011 -17.757 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.022 3.740 -18.562 1.00 0.00 H new ATOM 1666 N ASP A 111 -4.613 2.920 -13.093 1.00 0.00 N ATOM 1667 CA ASP A 111 -5.213 3.007 -11.742 1.00 0.00 C ATOM 1668 C ASP A 111 -4.796 4.316 -11.061 1.00 0.00 C ATOM 1669 O ASP A 111 -5.519 4.861 -10.222 1.00 0.00 O ATOM 1670 CB ASP A 111 -4.756 1.792 -10.891 1.00 0.00 C ATOM 1671 CG ASP A 111 -5.245 0.456 -11.475 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -4.613 -0.065 -12.418 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -6.281 -0.063 -11.010 1.00 0.00 O ATOM 0 H ASP A 111 -3.651 2.582 -13.082 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.299 2.993 -11.831 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.668 1.783 -10.829 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.132 1.901 -9.874 1.00 0.00 H new ATOM 1678 N TYR A 112 -3.607 4.797 -11.440 1.00 0.00 N ATOM 1679 CA TYR A 112 -2.962 5.980 -10.864 1.00 0.00 C ATOM 1680 C TYR A 112 -2.789 7.041 -11.958 1.00 0.00 C ATOM 1681 O TYR A 112 -2.275 6.739 -13.036 1.00 0.00 O ATOM 1682 CB TYR A 112 -1.562 5.615 -10.289 1.00 0.00 C ATOM 1683 CG TYR A 112 -1.532 4.331 -9.449 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -1.922 4.331 -8.107 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -1.119 3.119 -10.006 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -1.887 3.174 -7.355 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -1.087 1.962 -9.261 1.00 0.00 C ATOM 1688 CZ TYR A 112 -1.474 1.989 -7.938 1.00 0.00 C ATOM 1689 OH TYR A 112 -1.424 0.831 -7.187 1.00 0.00 O ATOM 0 H TYR A 112 -3.052 4.361 -12.177 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.588 6.363 -10.058 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -0.860 5.509 -11.116 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.208 6.444 -9.675 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.256 5.251 -7.651 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -0.818 3.089 -11.043 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -2.181 3.194 -6.316 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -0.760 1.036 -9.711 1.00 0.00 H new ATOM 0 HH TYR A 112 -1.331 0.059 -7.783 1.00 0.00 H new ATOM 1699 N TRP A 113 -3.251 8.260 -11.683 1.00 0.00 N ATOM 1700 CA TRP A 113 -2.928 9.456 -12.471 1.00 0.00 C ATOM 1701 C TRP A 113 -2.024 10.331 -11.603 1.00 0.00 C ATOM 1702 O TRP A 113 -2.348 10.590 -10.432 1.00 0.00 O ATOM 1703 CB TRP A 113 -4.223 10.210 -12.886 1.00 0.00 C ATOM 1704 CG TRP A 113 -5.107 9.416 -13.824 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -5.161 9.507 -15.190 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -6.053 8.397 -13.453 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -6.086 8.624 -15.683 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -6.642 7.929 -14.640 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -6.456 7.841 -12.230 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -7.613 6.933 -14.641 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -7.418 6.853 -12.234 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -7.984 6.405 -13.432 1.00 0.00 C ATOM 0 H TRP A 113 -3.870 8.451 -10.895 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.418 9.188 -13.396 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -4.791 10.462 -11.990 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -3.949 11.150 -13.365 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -4.563 10.176 -15.790 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.323 8.503 -16.668 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.021 8.181 -11.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -8.059 6.588 -15.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.739 6.419 -11.299 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -8.731 5.625 -13.404 1.00 0.00 H new ATOM 1723 N GLY A 114 -0.884 10.748 -12.168 1.00 0.00 N ATOM 1724 CA GLY A 114 0.134 11.474 -11.424 1.00 0.00 C ATOM 1725 C GLY A 114 -0.201 12.935 -11.193 1.00 0.00 C ATOM 1726 O GLY A 114 -1.263 13.423 -11.609 1.00 0.00 O ATOM 0 H GLY A 114 -0.649 10.589 -13.148 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.282 10.988 -10.460 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.080 11.409 -11.962 1.00 0.00 H new ATOM 1730 N GLN A 115 0.735 13.636 -10.540 1.00 0.00 N ATOM 1731 CA GLN A 115 0.576 15.061 -10.186 1.00 0.00 C ATOM 1732 C GLN A 115 0.657 15.950 -11.444 1.00 0.00 C ATOM 1733 O GLN A 115 0.079 17.041 -11.481 1.00 0.00 O ATOM 1734 CB GLN A 115 1.647 15.488 -9.145 1.00 0.00 C ATOM 1735 CG GLN A 115 3.115 15.375 -9.624 1.00 0.00 C ATOM 1736 CD GLN A 115 4.136 15.780 -8.558 1.00 0.00 C ATOM 1737 OE1 GLN A 115 3.912 15.604 -7.360 1.00 0.00 O ATOM 1738 NE2 GLN A 115 5.258 16.339 -8.981 1.00 0.00 N ATOM 0 H GLN A 115 1.624 13.236 -10.241 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.409 15.193 -9.739 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.455 16.521 -8.853 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.525 14.876 -8.251 1.00 0.00 H new ATOM 0 HG2 GLN A 115 3.311 14.348 -9.932 1.00 0.00 H new ATOM 0 HG3 GLN A 115 3.251 16.003 -10.504 1.00 0.00 H new ATOM 0 HE21 GLN A 115 5.416 16.472 -9.980 1.00 0.00 H new ATOM 0 HE22 GLN A 115 5.965 16.637 -8.308 1.00 0.00 H new ATOM 1747 N GLY A 116 1.379 15.454 -12.464 1.00 0.00 N ATOM 1748 CA GLY A 116 1.614 16.186 -13.700 1.00 0.00 C ATOM 1749 C GLY A 116 2.704 17.235 -13.568 1.00 0.00 C ATOM 1750 O GLY A 116 3.179 17.526 -12.461 1.00 0.00 O ATOM 0 H GLY A 116 1.813 14.531 -12.445 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.887 15.483 -14.486 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.688 16.669 -14.012 1.00 0.00 H new ATOM 1754 N THR A 117 3.111 17.798 -14.709 1.00 0.00 N ATOM 1755 CA THR A 117 4.102 18.873 -14.763 1.00 0.00 C ATOM 1756 C THR A 117 3.700 19.893 -15.856 1.00 0.00 C ATOM 1757 O THR A 117 3.453 19.526 -17.015 1.00 0.00 O ATOM 1758 CB THR A 117 5.547 18.302 -14.977 1.00 0.00 C ATOM 1759 OG1 THR A 117 6.497 19.364 -14.971 1.00 0.00 O ATOM 1760 CG2 THR A 117 5.693 17.476 -16.270 1.00 0.00 C ATOM 0 H THR A 117 2.760 17.519 -15.625 1.00 0.00 H new ATOM 0 HA THR A 117 4.121 19.395 -13.807 1.00 0.00 H new ATOM 0 HB THR A 117 5.737 17.621 -14.148 1.00 0.00 H new ATOM 0 HG1 THR A 117 6.929 19.411 -14.093 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.717 17.112 -16.355 1.00 0.00 H new ATOM 0 HG22 THR A 117 5.008 16.629 -16.240 1.00 0.00 H new ATOM 0 HG23 THR A 117 5.458 18.103 -17.130 1.00 0.00 H new ATOM 1768 N GLN A 118 3.585 21.170 -15.451 1.00 0.00 N ATOM 1769 CA GLN A 118 3.095 22.258 -16.314 1.00 0.00 C ATOM 1770 C GLN A 118 4.187 22.739 -17.277 1.00 0.00 C ATOM 1771 O GLN A 118 5.105 23.465 -16.882 1.00 0.00 O ATOM 1772 CB GLN A 118 2.563 23.438 -15.443 1.00 0.00 C ATOM 1773 CG GLN A 118 1.221 23.156 -14.713 1.00 0.00 C ATOM 1774 CD GLN A 118 -0.060 23.405 -15.557 1.00 0.00 C ATOM 1775 OE1 GLN A 118 -1.113 23.737 -15.007 1.00 0.00 O ATOM 1776 NE2 GLN A 118 0.004 23.267 -16.888 1.00 0.00 N ATOM 0 H GLN A 118 3.831 21.477 -14.510 1.00 0.00 H new ATOM 0 HA GLN A 118 2.273 21.871 -16.917 1.00 0.00 H new ATOM 0 HB2 GLN A 118 3.319 23.691 -14.699 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.437 24.313 -16.080 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.220 22.119 -14.378 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.174 23.779 -13.820 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.881 22.992 -17.331 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.824 23.437 -17.459 1.00 0.00 H new ATOM 1785 N VAL A 119 4.093 22.286 -18.537 1.00 0.00 N ATOM 1786 CA VAL A 119 4.910 22.801 -19.646 1.00 0.00 C ATOM 1787 C VAL A 119 4.186 24.010 -20.274 1.00 0.00 C ATOM 1788 O VAL A 119 2.949 24.080 -20.266 1.00 0.00 O ATOM 1789 CB VAL A 119 5.180 21.695 -20.746 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.820 20.428 -20.129 1.00 0.00 C ATOM 1791 CG2 VAL A 119 3.899 21.325 -21.523 1.00 0.00 C ATOM 0 H VAL A 119 3.445 21.549 -18.816 1.00 0.00 H new ATOM 0 HA VAL A 119 5.880 23.102 -19.251 1.00 0.00 H new ATOM 0 HB VAL A 119 5.886 22.127 -21.455 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.992 19.689 -20.912 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.770 20.690 -19.663 1.00 0.00 H new ATOM 0 HG13 VAL A 119 5.150 20.011 -19.377 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.132 20.563 -22.267 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.152 20.939 -20.830 1.00 0.00 H new ATOM 0 HG23 VAL A 119 3.507 22.211 -22.022 1.00 0.00 H new ATOM 1801 N THR A 120 4.948 24.980 -20.772 1.00 0.00 N ATOM 1802 CA THR A 120 4.397 26.128 -21.500 1.00 0.00 C ATOM 1803 C THR A 120 5.238 26.369 -22.747 1.00 0.00 C ATOM 1804 O THR A 120 6.343 26.886 -22.665 1.00 0.00 O ATOM 1805 CB THR A 120 4.357 27.407 -20.592 1.00 0.00 C ATOM 1806 OG1 THR A 120 3.487 27.172 -19.470 1.00 0.00 O ATOM 1807 CG2 THR A 120 3.896 28.674 -21.344 1.00 0.00 C ATOM 0 H THR A 120 5.964 24.996 -20.684 1.00 0.00 H new ATOM 0 HA THR A 120 3.370 25.911 -21.792 1.00 0.00 H new ATOM 0 HB THR A 120 5.379 27.591 -20.259 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.463 27.970 -18.902 1.00 0.00 H new ATOM 0 HG21 THR A 120 3.891 29.522 -20.659 1.00 0.00 H new ATOM 0 HG22 THR A 120 4.580 28.877 -22.168 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.891 28.519 -21.737 1.00 0.00 H new ATOM 1815 N VAL A 121 4.740 25.972 -23.911 1.00 0.00 N ATOM 1816 CA VAL A 121 5.433 26.271 -25.158 1.00 0.00 C ATOM 1817 C VAL A 121 4.913 27.615 -25.667 1.00 0.00 C ATOM 1818 O VAL A 121 3.831 27.680 -26.256 1.00 0.00 O ATOM 1819 CB VAL A 121 5.251 25.135 -26.212 1.00 0.00 C ATOM 1820 CG1 VAL A 121 6.111 25.400 -27.473 1.00 0.00 C ATOM 1821 CG2 VAL A 121 5.577 23.760 -25.588 1.00 0.00 C ATOM 0 H VAL A 121 3.871 25.449 -24.018 1.00 0.00 H new ATOM 0 HA VAL A 121 6.507 26.333 -24.982 1.00 0.00 H new ATOM 0 HB VAL A 121 4.207 25.124 -26.526 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.964 24.592 -28.190 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.812 26.346 -27.925 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.163 25.449 -27.192 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.445 22.980 -26.337 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.609 23.755 -25.237 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.908 23.574 -24.748 1.00 0.00 H new ATOM 1831 N SER A 122 5.655 28.702 -25.362 1.00 0.00 N ATOM 1832 CA SER A 122 5.320 30.047 -25.852 1.00 0.00 C ATOM 1833 C SER A 122 5.564 30.153 -27.378 1.00 0.00 C ATOM 1834 O SER A 122 6.451 29.478 -27.920 1.00 0.00 O ATOM 1835 CB SER A 122 6.131 31.105 -25.087 1.00 0.00 C ATOM 1836 OG SER A 122 5.653 32.403 -25.355 1.00 0.00 O ATOM 0 H SER A 122 6.490 28.669 -24.777 1.00 0.00 H new ATOM 0 HA SER A 122 4.261 30.230 -25.673 1.00 0.00 H new ATOM 0 HB2 SER A 122 6.074 30.907 -24.017 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.182 31.036 -25.369 1.00 0.00 H new ATOM 0 HG SER A 122 5.806 32.976 -24.575 1.00 0.00 H new ATOM 1842 N SER A 123 4.780 31.015 -28.052 1.00 0.00 N ATOM 1843 CA SER A 123 4.764 31.130 -29.522 1.00 0.00 C ATOM 1844 C SER A 123 6.040 31.832 -30.040 1.00 0.00 C ATOM 1845 O SER A 123 6.065 33.057 -30.202 1.00 0.00 O ATOM 1846 CB SER A 123 3.486 31.892 -29.959 1.00 0.00 C ATOM 1847 OG SER A 123 2.319 31.303 -29.407 1.00 0.00 O ATOM 0 H SER A 123 4.136 31.655 -27.588 1.00 0.00 H new ATOM 0 HA SER A 123 4.750 30.132 -29.959 1.00 0.00 H new ATOM 0 HB2 SER A 123 3.555 32.933 -29.643 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.415 31.894 -31.047 1.00 0.00 H new ATOM 0 HG SER A 123 1.530 31.806 -29.698 1.00 0.00 H new ATOM 1853 N LEU A 124 7.108 31.020 -30.241 1.00 0.00 N ATOM 1854 CA LEU A 124 8.457 31.459 -30.699 1.00 0.00 C ATOM 1855 C LEU A 124 9.199 32.331 -29.651 1.00 0.00 C ATOM 1856 O LEU A 124 10.335 32.766 -29.893 1.00 0.00 O ATOM 1857 CB LEU A 124 8.418 32.180 -32.094 1.00 0.00 C ATOM 1858 CG LEU A 124 8.135 31.303 -33.361 1.00 0.00 C ATOM 1859 CD1 LEU A 124 9.113 30.120 -33.463 1.00 0.00 C ATOM 1860 CD2 LEU A 124 6.667 30.846 -33.438 1.00 0.00 C ATOM 0 H LEU A 124 7.057 30.013 -30.086 1.00 0.00 H new ATOM 0 HA LEU A 124 9.029 30.539 -30.818 1.00 0.00 H new ATOM 0 HB2 LEU A 124 7.656 32.958 -32.048 1.00 0.00 H new ATOM 0 HB3 LEU A 124 9.376 32.680 -32.240 1.00 0.00 H new ATOM 0 HG LEU A 124 8.307 31.938 -34.230 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.885 29.535 -34.354 1.00 0.00 H new ATOM 0 HD12 LEU A 124 10.134 30.496 -33.527 1.00 0.00 H new ATOM 0 HD13 LEU A 124 9.014 29.489 -32.580 1.00 0.00 H new ATOM 0 HD21 LEU A 124 6.521 30.241 -34.333 1.00 0.00 H new ATOM 0 HD22 LEU A 124 6.424 30.254 -32.556 1.00 0.00 H new ATOM 0 HD23 LEU A 124 6.016 31.719 -33.479 1.00 0.00 H new ATOM 1872 N GLU A 125 8.577 32.541 -28.478 1.00 0.00 N ATOM 1873 CA GLU A 125 9.116 33.421 -27.432 1.00 0.00 C ATOM 1874 C GLU A 125 10.012 32.621 -26.472 1.00 0.00 C ATOM 1875 O GLU A 125 9.535 32.032 -25.494 1.00 0.00 O ATOM 1876 CB GLU A 125 7.964 34.136 -26.667 1.00 0.00 C ATOM 1877 CG GLU A 125 6.974 34.916 -27.561 1.00 0.00 C ATOM 1878 CD GLU A 125 7.598 36.131 -28.274 1.00 0.00 C ATOM 1879 OE1 GLU A 125 8.099 35.987 -29.414 1.00 0.00 O ATOM 1880 OE2 GLU A 125 7.599 37.240 -27.695 1.00 0.00 O ATOM 0 H GLU A 125 7.688 32.105 -28.231 1.00 0.00 H new ATOM 0 HA GLU A 125 9.727 34.191 -27.903 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.408 33.391 -26.099 1.00 0.00 H new ATOM 0 HB3 GLU A 125 8.401 34.826 -25.945 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.565 34.238 -28.310 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.138 35.256 -26.949 1.00 0.00 H new ATOM 1887 N HIS A 126 11.310 32.550 -26.817 1.00 0.00 N ATOM 1888 CA HIS A 126 12.363 32.056 -25.907 1.00 0.00 C ATOM 1889 C HIS A 126 12.674 33.135 -24.848 1.00 0.00 C ATOM 1890 O HIS A 126 13.258 32.850 -23.796 1.00 0.00 O ATOM 1891 CB HIS A 126 13.636 31.673 -26.709 1.00 0.00 C ATOM 1892 CG HIS A 126 14.775 31.172 -25.852 1.00 0.00 C ATOM 1893 ND1 HIS A 126 15.946 31.867 -25.679 1.00 0.00 N ATOM 1894 CD2 HIS A 126 14.893 30.054 -25.094 1.00 0.00 C ATOM 1895 CE1 HIS A 126 16.736 31.207 -24.857 1.00 0.00 C ATOM 1896 NE2 HIS A 126 16.121 30.105 -24.486 1.00 0.00 N ATOM 0 H HIS A 126 11.660 32.833 -27.733 1.00 0.00 H new ATOM 0 HA HIS A 126 12.011 31.159 -25.398 1.00 0.00 H new ATOM 0 HB2 HIS A 126 13.377 30.904 -27.437 1.00 0.00 H new ATOM 0 HB3 HIS A 126 13.974 32.543 -27.272 1.00 0.00 H new ATOM 0 HD2 HIS A 126 14.158 29.270 -24.989 1.00 0.00 H new ATOM 0 HE1 HIS A 126 17.721 31.518 -24.541 1.00 0.00 H new ATOM 0 HE2 HIS A 126 16.497 29.402 -23.849 1.00 0.00 H new ATOM 1905 N HIS A 127 12.277 34.380 -25.157 1.00 0.00 N ATOM 1906 CA HIS A 127 12.367 35.510 -24.233 1.00 0.00 C ATOM 1907 C HIS A 127 11.207 35.423 -23.227 1.00 0.00 C ATOM 1908 O HIS A 127 10.035 35.459 -23.620 1.00 0.00 O ATOM 1909 CB HIS A 127 12.328 36.860 -25.004 1.00 0.00 C ATOM 1910 CG HIS A 127 13.476 37.077 -25.963 1.00 0.00 C ATOM 1911 ND1 HIS A 127 13.820 38.318 -26.448 1.00 0.00 N ATOM 1912 CD2 HIS A 127 14.347 36.210 -26.533 1.00 0.00 C ATOM 1913 CE1 HIS A 127 14.845 38.204 -27.268 1.00 0.00 C ATOM 1914 NE2 HIS A 127 15.184 36.933 -27.336 1.00 0.00 N ATOM 0 H HIS A 127 11.882 34.627 -26.064 1.00 0.00 H new ATOM 0 HA HIS A 127 13.316 35.466 -23.699 1.00 0.00 H new ATOM 0 HB2 HIS A 127 11.393 36.917 -25.561 1.00 0.00 H new ATOM 0 HB3 HIS A 127 12.319 37.675 -24.280 1.00 0.00 H new ATOM 0 HD2 HIS A 127 14.375 35.141 -26.381 1.00 0.00 H new ATOM 0 HE1 HIS A 127 15.326 39.015 -27.795 1.00 0.00 H new ATOM 0 HE2 HIS A 127 15.946 36.551 -27.896 1.00 0.00 H new ATOM 1923 N HIS A 128 11.558 35.259 -21.941 1.00 0.00 N ATOM 1924 CA HIS A 128 10.597 35.189 -20.826 1.00 0.00 C ATOM 1925 C HIS A 128 11.315 35.486 -19.501 1.00 0.00 C ATOM 1926 O HIS A 128 12.545 35.632 -19.470 1.00 0.00 O ATOM 1927 CB HIS A 128 9.877 33.806 -20.774 1.00 0.00 C ATOM 1928 CG HIS A 128 10.770 32.618 -20.494 1.00 0.00 C ATOM 1929 ND1 HIS A 128 10.825 31.992 -19.271 1.00 0.00 N ATOM 1930 CD2 HIS A 128 11.618 31.930 -21.296 1.00 0.00 C ATOM 1931 CE1 HIS A 128 11.662 30.977 -19.330 1.00 0.00 C ATOM 1932 NE2 HIS A 128 12.156 30.916 -20.547 1.00 0.00 N ATOM 0 H HIS A 128 12.529 35.170 -21.642 1.00 0.00 H new ATOM 0 HA HIS A 128 9.828 35.944 -20.989 1.00 0.00 H new ATOM 0 HB2 HIS A 128 9.104 33.847 -20.006 1.00 0.00 H new ATOM 0 HB3 HIS A 128 9.372 33.643 -21.726 1.00 0.00 H new ATOM 0 HD1 HIS A 128 10.298 32.271 -18.444 1.00 0.00 H new ATOM 0 HD2 HIS A 128 11.831 32.141 -22.334 1.00 0.00 H new ATOM 0 HE1 HIS A 128 11.902 30.308 -18.517 1.00 0.00 H new ATOM 1941 N HIS A 129 10.539 35.598 -18.413 1.00 0.00 N ATOM 1942 CA HIS A 129 11.095 35.761 -17.058 1.00 0.00 C ATOM 1943 C HIS A 129 11.573 34.405 -16.518 1.00 0.00 C ATOM 1944 O HIS A 129 10.937 33.373 -16.768 1.00 0.00 O ATOM 1945 CB HIS A 129 10.047 36.372 -16.091 1.00 0.00 C ATOM 1946 CG HIS A 129 9.589 37.758 -16.462 1.00 0.00 C ATOM 1947 ND1 HIS A 129 10.275 38.895 -16.103 1.00 0.00 N ATOM 1948 CD2 HIS A 129 8.503 38.185 -17.148 1.00 0.00 C ATOM 1949 CE1 HIS A 129 9.634 39.956 -16.547 1.00 0.00 C ATOM 1950 NE2 HIS A 129 8.558 39.552 -17.186 1.00 0.00 N ATOM 0 H HIS A 129 9.520 35.579 -18.444 1.00 0.00 H new ATOM 0 HA HIS A 129 11.941 36.445 -17.121 1.00 0.00 H new ATOM 0 HB2 HIS A 129 9.179 35.714 -16.053 1.00 0.00 H new ATOM 0 HB3 HIS A 129 10.470 36.399 -15.087 1.00 0.00 H new ATOM 0 HD2 HIS A 129 7.736 37.563 -17.584 1.00 0.00 H new ATOM 0 HE1 HIS A 129 9.940 40.983 -16.410 1.00 0.00 H new ATOM 0 HE2 HIS A 129 7.874 40.160 -17.637 1.00 0.00 H new ATOM 1959 N HIS A 130 12.710 34.409 -15.809 1.00 0.00 N ATOM 1960 CA HIS A 130 13.185 33.244 -15.047 1.00 0.00 C ATOM 1961 C HIS A 130 12.957 33.498 -13.551 1.00 0.00 C ATOM 1962 O HIS A 130 13.513 34.449 -12.985 1.00 0.00 O ATOM 1963 CB HIS A 130 14.684 32.954 -15.326 1.00 0.00 C ATOM 1964 CG HIS A 130 15.250 31.815 -14.494 1.00 0.00 C ATOM 1965 ND1 HIS A 130 15.061 30.486 -14.808 1.00 0.00 N ATOM 1966 CD2 HIS A 130 15.956 31.821 -13.331 1.00 0.00 C ATOM 1967 CE1 HIS A 130 15.622 29.732 -13.877 1.00 0.00 C ATOM 1968 NE2 HIS A 130 16.170 30.514 -12.970 1.00 0.00 N ATOM 0 H HIS A 130 13.327 35.219 -15.747 1.00 0.00 H new ATOM 0 HA HIS A 130 12.622 32.366 -15.363 1.00 0.00 H new ATOM 0 HB2 HIS A 130 14.809 32.717 -16.383 1.00 0.00 H new ATOM 0 HB3 HIS A 130 15.262 33.857 -15.131 1.00 0.00 H new ATOM 0 HD2 HIS A 130 16.288 32.695 -12.790 1.00 0.00 H new ATOM 0 HE1 HIS A 130 15.629 28.652 -13.863 1.00 0.00 H new ATOM 0 HE2 HIS A 130 16.670 30.201 -12.138 1.00 0.00 H new ATOM 1977 N HIS A 131 12.136 32.645 -12.923 1.00 0.00 N ATOM 1978 CA HIS A 131 11.915 32.666 -11.468 1.00 0.00 C ATOM 1979 C HIS A 131 12.941 31.726 -10.776 1.00 0.00 C ATOM 1980 O HIS A 131 13.055 30.550 -11.189 1.00 0.00 O ATOM 1981 CB HIS A 131 10.435 32.316 -11.113 1.00 0.00 C ATOM 1982 CG HIS A 131 9.961 30.939 -11.501 1.00 0.00 C ATOM 1983 ND1 HIS A 131 9.721 30.563 -12.804 1.00 0.00 N ATOM 1984 CD2 HIS A 131 9.666 29.856 -10.748 1.00 0.00 C ATOM 1985 CE1 HIS A 131 9.293 29.321 -12.834 1.00 0.00 C ATOM 1986 NE2 HIS A 131 9.253 28.868 -11.601 1.00 0.00 N ATOM 1987 OXT HIS A 131 13.647 32.172 -9.848 1.00 0.00 O ATOM 0 H HIS A 131 11.606 31.921 -13.408 1.00 0.00 H new ATOM 0 HA HIS A 131 12.079 33.675 -11.090 1.00 0.00 H new ATOM 0 HB2 HIS A 131 10.305 32.431 -10.037 1.00 0.00 H new ATOM 0 HB3 HIS A 131 9.786 33.049 -11.593 1.00 0.00 H new ATOM 0 HD2 HIS A 131 9.742 29.784 -9.673 1.00 0.00 H new ATOM 0 HE1 HIS A 131 9.021 28.767 -13.720 1.00 0.00 H new ATOM 0 HE2 HIS A 131 8.961 27.931 -11.324 1.00 0.00 H new TER 1996 HIS A 131