USER MOD reduce.3.24.130724 H: found=0, std=0, add=1166, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1167 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 31 SER OG : rot 180:sc= -2! USER MOD Set 1.2: A 62 THR OG1 : rot -150:sc= -0.52 USER MOD Set 2.1: A 10 ASN : amide:sc= -1.24 K(o=-3,f=-5!) USER MOD Set 2.2: A 48 GLN :FLIP amide:sc= -1.77 F(o=-4.2!,f=-3) USER MOD Set 3.1: A 23 LYS NZ :NH3+ 157:sc= 0.482 (180deg=0) USER MOD Set 3.2: A 80 GLN : amide:sc= 0.378 K(o=0.86,f=-0.85) USER MOD Single : A 1 THR N :NH3+ 153:sc= 0.00345 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.00181 USER MOD Single : A 4 TYR OH : rot 99:sc= 1.22 USER MOD Single : A 9 SER OG : rot 80:sc= -0.681 USER MOD Single : A 13 SER OG : rot 127:sc= 0.591 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.775 F(o=-4.5!,f=-0.78) USER MOD Single : A 19 ASN :FLIP amide:sc= -1.03 F(o=-3!,f=-1) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 35 THR OG1 : rot -137:sc= -4.2! USER MOD Single : A 37 SER OG : rot -12:sc= 0.84 USER MOD Single : A 38 SER OG : rot 90:sc= -1.07 USER MOD Single : A 40 TYR OH : rot 154:sc= 0.132 USER MOD Single : A 42 THR OG1 : rot -65:sc= -1.63! USER MOD Single : A 50 GLN :FLIP amide:sc= -3.28 F(o=-5.4!,f=-3.3) USER MOD Single : A 53 TYR OH : rot -140:sc= -1.18 USER MOD Single : A 55 ASN : amide:sc= -5.46! C(o=-5.5!,f=-6.3!) USER MOD Single : A 63 SER OG : rot 82:sc= -3.34! USER MOD Single : A 71 ASN :FLIP amide:sc= -0.833 F(o=-4.3!,f=-0.83) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 73 THR OG1 : rot -79:sc= 0.231 USER MOD Single : A 74 GLN : amide:sc= -0.836 K(o=-0.84,f=-1.8!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.0409 F(o=-1.1!,f=-0.041) USER MOD Single : A 93 THR OG1 : rot -29:sc= 0.00497 USER MOD Single : A 99 MET CE :methyl 147:sc= -2.81! (180deg=-6.8!) USER MOD Single : A 103 ASN : amide:sc= -4.34! C(o=-4.3!,f=-4.5!) USER MOD Single : A 107 ASN :FLIP amide:sc= -1.65 F(o=-11!,f=-1.6) USER MOD Single : A 108 THR OG1 : rot -79:sc= 0.0113 USER MOD Single : A 112 THR OG1 : rot 150:sc= -0.304 USER MOD Single : A 115 HIS : no HE2:sc= -9.92! C(o=-9.9!,f=-15!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl -153:sc= -11.5! (180deg=-12.7!) USER MOD Single : A 119 LYS NZ :NH3+ -133:sc= -0.14 (180deg=-1.06) USER MOD Single : A 120 ASN :FLIP amide:sc= -0.968 F(o=-3.3!,f=-0.97) USER MOD Single : A 124 MET CE :methyl 180:sc= -1.53 (180deg=-1.53) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN :FLIP amide:sc= -16.3! C(o=-24!,f=-16!) USER MOD Single : A 148 HIS :FLIP no HD1:sc= -0.679 F(o=-2.4,f=-0.68) USER MOD Single : A 149 THR OG1 : rot -90:sc= 0.718 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 ASN :FLIP amide:sc= -2.46! C(o=-9.1!,f=-2.5!) USER MOD Single : A 157 LYS NZ :NH3+ -121:sc= 0.72 (180deg=-0.427) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.240 -9.415 -14.556 1.00 0.82 N ATOM 2 CA THR A 1 2.266 -9.797 -13.499 1.00 0.59 C ATOM 3 C THR A 1 1.781 -8.578 -12.726 1.00 0.52 C ATOM 4 O THR A 1 2.556 -7.930 -12.018 1.00 0.52 O ATOM 5 CB THR A 1 2.941 -10.787 -12.546 1.00 0.64 C ATOM 6 OG1 THR A 1 3.338 -11.959 -13.236 1.00 0.92 O ATOM 7 CG2 THR A 1 2.056 -11.210 -11.392 1.00 0.62 C ATOM 0 H1 THR A 1 3.877 -10.215 -14.747 1.00 0.82 H new ATOM 0 H2 THR A 1 2.728 -9.165 -15.426 1.00 0.82 H new ATOM 0 H3 THR A 1 3.797 -8.598 -14.235 1.00 0.82 H new ATOM 0 HA THR A 1 1.396 -10.257 -13.968 1.00 0.59 H new ATOM 0 HB THR A 1 3.803 -10.255 -12.144 1.00 0.64 H new ATOM 0 HG1 THR A 1 3.769 -12.577 -12.609 1.00 0.92 H new ATOM 0 HG21 THR A 1 2.597 -11.911 -10.757 1.00 0.62 H new ATOM 0 HG22 THR A 1 1.776 -10.333 -10.808 1.00 0.62 H new ATOM 0 HG23 THR A 1 1.157 -11.690 -11.780 1.00 0.62 H new ATOM 17 N VAL A 2 0.494 -8.273 -12.859 1.00 0.54 N ATOM 18 CA VAL A 2 -0.089 -7.135 -12.164 1.00 0.54 C ATOM 19 C VAL A 2 -0.187 -7.423 -10.671 1.00 0.44 C ATOM 20 O VAL A 2 -1.069 -8.153 -10.222 1.00 0.45 O ATOM 21 CB VAL A 2 -1.491 -6.793 -12.708 1.00 0.65 C ATOM 22 CG1 VAL A 2 -2.063 -5.574 -11.999 1.00 1.49 C ATOM 23 CG2 VAL A 2 -1.442 -6.568 -14.211 1.00 1.42 C ATOM 0 H VAL A 2 -0.161 -8.797 -13.440 1.00 0.54 H new ATOM 0 HA VAL A 2 0.565 -6.280 -12.335 1.00 0.54 H new ATOM 0 HB VAL A 2 -2.149 -7.639 -12.510 1.00 0.65 H new ATOM 0 HG11 VAL A 2 -3.052 -5.351 -12.399 1.00 1.49 H new ATOM 0 HG12 VAL A 2 -2.141 -5.777 -10.931 1.00 1.49 H new ATOM 0 HG13 VAL A 2 -1.406 -4.719 -12.159 1.00 1.49 H new ATOM 0 HG21 VAL A 2 -2.441 -6.328 -14.576 1.00 1.42 H new ATOM 0 HG22 VAL A 2 -0.766 -5.742 -14.433 1.00 1.42 H new ATOM 0 HG23 VAL A 2 -1.084 -7.472 -14.703 1.00 1.42 H new ATOM 33 N ALA A 3 0.728 -6.849 -9.904 1.00 0.43 N ATOM 34 CA ALA A 3 0.741 -7.054 -8.465 1.00 0.40 C ATOM 35 C ALA A 3 0.193 -5.837 -7.736 1.00 0.33 C ATOM 36 O ALA A 3 0.630 -4.706 -7.974 1.00 0.37 O ATOM 37 CB ALA A 3 2.150 -7.375 -7.995 1.00 0.48 C ATOM 0 H ALA A 3 1.468 -6.240 -10.253 1.00 0.43 H new ATOM 0 HA ALA A 3 0.094 -7.900 -8.232 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.148 -7.527 -6.916 1.00 0.48 H new ATOM 0 HB2 ALA A 3 2.500 -8.282 -8.488 1.00 0.48 H new ATOM 0 HB3 ALA A 3 2.814 -6.547 -8.244 1.00 0.48 H new ATOM 43 N TYR A 4 -0.769 -6.072 -6.850 1.00 0.38 N ATOM 44 CA TYR A 4 -1.376 -4.991 -6.090 1.00 0.48 C ATOM 45 C TYR A 4 -0.522 -4.588 -4.910 1.00 0.46 C ATOM 46 O TYR A 4 -0.428 -5.316 -3.925 1.00 0.72 O ATOM 47 CB TYR A 4 -2.758 -5.366 -5.575 1.00 0.79 C ATOM 48 CG TYR A 4 -3.306 -4.327 -4.621 1.00 2.03 C ATOM 49 CD1 TYR A 4 -3.385 -2.990 -4.997 1.00 2.70 C ATOM 50 CD2 TYR A 4 -3.725 -4.674 -3.344 1.00 3.01 C ATOM 51 CE1 TYR A 4 -3.870 -2.032 -4.130 1.00 3.83 C ATOM 52 CE2 TYR A 4 -4.210 -3.719 -2.470 1.00 4.21 C ATOM 53 CZ TYR A 4 -4.280 -2.401 -2.868 1.00 4.50 C ATOM 54 OH TYR A 4 -4.760 -1.448 -2.000 1.00 5.73 O ATOM 0 H TYR A 4 -1.142 -6.998 -6.643 1.00 0.38 H new ATOM 0 HA TYR A 4 -1.462 -4.153 -6.781 1.00 0.48 H new ATOM 0 HB2 TYR A 4 -3.440 -5.481 -6.417 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -2.708 -6.331 -5.071 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -3.061 -2.697 -5.985 1.00 2.70 H new ATOM 0 HD2 TYR A 4 -3.671 -5.705 -3.028 1.00 3.01 H new ATOM 0 HE1 TYR A 4 -3.928 -0.999 -4.439 1.00 3.83 H new ATOM 0 HE2 TYR A 4 -4.533 -4.004 -1.480 1.00 4.21 H new ATOM 0 HH TYR A 4 -5.740 -1.460 -2.010 1.00 5.73 H new ATOM 64 N ILE A 5 0.067 -3.409 -5.020 1.00 0.40 N ATOM 65 CA ILE A 5 0.899 -2.848 -3.974 1.00 0.45 C ATOM 66 C ILE A 5 0.100 -1.834 -3.160 1.00 0.44 C ATOM 67 O ILE A 5 -0.753 -1.129 -3.698 1.00 0.57 O ATOM 68 CB ILE A 5 2.132 -2.151 -4.579 1.00 0.55 C ATOM 69 CG1 ILE A 5 2.273 -2.549 -6.054 1.00 0.52 C ATOM 70 CG2 ILE A 5 3.386 -2.498 -3.788 1.00 0.93 C ATOM 71 CD1 ILE A 5 3.472 -1.946 -6.747 1.00 0.79 C ATOM 0 H ILE A 5 -0.020 -2.813 -5.843 1.00 0.40 H new ATOM 0 HA ILE A 5 1.230 -3.661 -3.327 1.00 0.45 H new ATOM 0 HB ILE A 5 2.000 -1.071 -4.523 1.00 0.55 H new ATOM 0 HG12 ILE A 5 2.337 -3.635 -6.121 1.00 0.52 H new ATOM 0 HG13 ILE A 5 1.371 -2.249 -6.587 1.00 0.52 H new ATOM 0 HG21 ILE A 5 4.246 -1.996 -4.231 1.00 0.93 H new ATOM 0 HG22 ILE A 5 3.267 -2.170 -2.755 1.00 0.93 H new ATOM 0 HG23 ILE A 5 3.544 -3.576 -3.811 1.00 0.93 H new ATOM 0 HD11 ILE A 5 3.497 -2.278 -7.785 1.00 0.79 H new ATOM 0 HD12 ILE A 5 3.402 -0.859 -6.715 1.00 0.79 H new ATOM 0 HD13 ILE A 5 4.383 -2.266 -6.242 1.00 0.79 H new ATOM 83 N ALA A 6 0.373 -1.772 -1.865 1.00 0.48 N ATOM 84 CA ALA A 6 -0.328 -0.845 -0.980 1.00 0.51 C ATOM 85 C ALA A 6 0.552 0.349 -0.627 1.00 0.46 C ATOM 86 O ALA A 6 1.701 0.180 -0.224 1.00 0.58 O ATOM 87 CB ALA A 6 -0.780 -1.562 0.283 1.00 0.71 C ATOM 0 H ALA A 6 1.073 -2.351 -1.401 1.00 0.48 H new ATOM 0 HA ALA A 6 -1.206 -0.472 -1.507 1.00 0.51 H new ATOM 0 HB1 ALA A 6 -1.301 -0.859 0.934 1.00 0.71 H new ATOM 0 HB2 ALA A 6 -1.452 -2.378 0.017 1.00 0.71 H new ATOM 0 HB3 ALA A 6 0.089 -1.963 0.804 1.00 0.71 H new ATOM 93 N ILE A 7 0.003 1.556 -0.778 1.00 0.44 N ATOM 94 CA ILE A 7 0.741 2.780 -0.472 1.00 0.43 C ATOM 95 C ILE A 7 0.223 3.429 0.807 1.00 0.49 C ATOM 96 O ILE A 7 -0.987 3.591 0.982 1.00 0.58 O ATOM 97 CB ILE A 7 0.645 3.799 -1.623 1.00 0.47 C ATOM 98 CG1 ILE A 7 1.176 3.186 -2.921 1.00 1.19 C ATOM 99 CG2 ILE A 7 1.415 5.066 -1.272 1.00 1.41 C ATOM 100 CD1 ILE A 7 1.038 4.096 -4.124 1.00 1.42 C ATOM 0 H ILE A 7 -0.949 1.710 -1.110 1.00 0.44 H new ATOM 0 HA ILE A 7 1.784 2.493 -0.336 1.00 0.43 H new ATOM 0 HB ILE A 7 -0.402 4.063 -1.771 1.00 0.47 H new ATOM 0 HG12 ILE A 7 2.227 2.930 -2.788 1.00 1.19 H new ATOM 0 HG13 ILE A 7 0.644 2.255 -3.117 1.00 1.19 H new ATOM 0 HG21 ILE A 7 1.339 5.778 -2.094 1.00 1.41 H new ATOM 0 HG22 ILE A 7 0.995 5.509 -0.369 1.00 1.41 H new ATOM 0 HG23 ILE A 7 2.463 4.819 -1.102 1.00 1.41 H new ATOM 0 HD11 ILE A 7 1.435 3.595 -5.007 1.00 1.42 H new ATOM 0 HD12 ILE A 7 -0.014 4.332 -4.283 1.00 1.42 H new ATOM 0 HD13 ILE A 7 1.594 5.017 -3.949 1.00 1.42 H new ATOM 112 N GLY A 8 1.141 3.803 1.699 1.00 0.57 N ATOM 113 CA GLY A 8 0.742 4.427 2.947 1.00 0.69 C ATOM 114 C GLY A 8 1.773 5.395 3.497 1.00 0.68 C ATOM 115 O GLY A 8 2.840 4.987 3.952 1.00 0.77 O ATOM 0 H GLY A 8 2.147 3.685 1.579 1.00 0.57 H new ATOM 0 HA2 GLY A 8 -0.198 4.958 2.794 1.00 0.69 H new ATOM 0 HA3 GLY A 8 0.553 3.650 3.688 1.00 0.69 H new ATOM 119 N SER A 9 1.445 6.685 3.472 1.00 0.70 N ATOM 120 CA SER A 9 2.342 7.716 3.986 1.00 0.75 C ATOM 121 C SER A 9 1.613 8.595 5.002 1.00 0.87 C ATOM 122 O SER A 9 0.409 8.837 4.872 1.00 0.92 O ATOM 123 CB SER A 9 2.871 8.578 2.839 1.00 0.76 C ATOM 124 OG SER A 9 3.571 7.792 1.891 1.00 1.67 O ATOM 0 H SER A 9 0.564 7.041 3.101 1.00 0.70 H new ATOM 0 HA SER A 9 3.183 7.228 4.479 1.00 0.75 H new ATOM 0 HB2 SER A 9 2.041 9.088 2.351 1.00 0.76 H new ATOM 0 HB3 SER A 9 3.531 9.350 3.235 1.00 0.76 H new ATOM 0 HG SER A 9 2.930 7.342 1.302 1.00 1.67 H new ATOM 130 N ASN A 10 2.336 9.068 6.014 1.00 1.03 N ATOM 131 CA ASN A 10 1.731 9.912 7.042 1.00 1.23 C ATOM 132 C ASN A 10 2.692 11.000 7.515 1.00 1.30 C ATOM 133 O ASN A 10 3.807 10.715 7.951 1.00 2.00 O ATOM 134 CB ASN A 10 1.265 9.055 8.224 1.00 1.55 C ATOM 135 CG ASN A 10 2.386 8.237 8.840 1.00 2.18 C ATOM 136 OD1 ASN A 10 3.309 8.779 9.446 1.00 2.66 O ATOM 137 ND2 ASN A 10 2.308 6.920 8.683 1.00 3.02 N ATOM 0 H ASN A 10 3.331 8.884 6.144 1.00 1.03 H new ATOM 0 HA ASN A 10 0.867 10.408 6.601 1.00 1.23 H new ATOM 0 HB2 ASN A 10 0.833 9.702 8.987 1.00 1.55 H new ATOM 0 HB3 ASN A 10 0.474 8.384 7.890 1.00 1.55 H new ATOM 0 HD21 ASN A 10 3.032 6.316 9.073 1.00 3.02 H new ATOM 0 HD22 ASN A 10 1.524 6.513 8.173 1.00 3.02 H new ATOM 144 N LEU A 11 2.239 12.251 7.417 1.00 1.21 N ATOM 145 CA LEU A 11 3.031 13.412 7.825 1.00 1.31 C ATOM 146 C LEU A 11 2.288 14.693 7.447 1.00 1.49 C ATOM 147 O LEU A 11 1.386 14.659 6.611 1.00 1.96 O ATOM 148 CB LEU A 11 4.420 13.367 7.160 1.00 1.36 C ATOM 149 CG LEU A 11 5.468 14.369 7.678 1.00 1.66 C ATOM 150 CD1 LEU A 11 5.338 15.713 6.979 1.00 2.11 C ATOM 151 CD2 LEU A 11 5.354 14.545 9.188 1.00 2.45 C ATOM 0 H LEU A 11 1.316 12.487 7.054 1.00 1.21 H new ATOM 0 HA LEU A 11 3.173 13.394 8.906 1.00 1.31 H new ATOM 0 HB2 LEU A 11 4.822 12.361 7.280 1.00 1.36 H new ATOM 0 HB3 LEU A 11 4.291 13.533 6.090 1.00 1.36 H new ATOM 0 HG LEU A 11 6.453 13.961 7.450 1.00 1.66 H new ATOM 0 HD11 LEU A 11 6.091 16.399 7.366 1.00 2.11 H new ATOM 0 HD12 LEU A 11 5.484 15.581 5.907 1.00 2.11 H new ATOM 0 HD13 LEU A 11 4.345 16.124 7.162 1.00 2.11 H new ATOM 0 HD21 LEU A 11 6.105 15.258 9.529 1.00 2.45 H new ATOM 0 HD22 LEU A 11 4.360 14.918 9.437 1.00 2.45 H new ATOM 0 HD23 LEU A 11 5.515 13.585 9.679 1.00 2.45 H new ATOM 163 N ALA A 12 2.662 15.814 8.066 1.00 1.57 N ATOM 164 CA ALA A 12 2.021 17.101 7.787 1.00 1.79 C ATOM 165 C ALA A 12 1.797 17.293 6.288 1.00 1.71 C ATOM 166 O ALA A 12 0.830 17.930 5.869 1.00 2.29 O ATOM 167 CB ALA A 12 2.862 18.237 8.347 1.00 2.08 C ATOM 0 H ALA A 12 3.405 15.857 8.763 1.00 1.57 H new ATOM 0 HA ALA A 12 1.046 17.108 8.275 1.00 1.79 H new ATOM 0 HB1 ALA A 12 2.376 19.189 8.134 1.00 2.08 H new ATOM 0 HB2 ALA A 12 2.965 18.116 9.425 1.00 2.08 H new ATOM 0 HB3 ALA A 12 3.849 18.222 7.884 1.00 2.08 H new ATOM 173 N SER A 13 2.691 16.723 5.491 1.00 1.54 N ATOM 174 CA SER A 13 2.604 16.802 4.039 1.00 1.42 C ATOM 175 C SER A 13 2.873 15.428 3.429 1.00 1.10 C ATOM 176 O SER A 13 4.003 15.117 3.048 1.00 1.17 O ATOM 177 CB SER A 13 3.599 17.829 3.497 1.00 1.72 C ATOM 178 OG SER A 13 4.927 17.501 3.870 1.00 2.45 O ATOM 0 H SER A 13 3.494 16.195 5.831 1.00 1.54 H new ATOM 0 HA SER A 13 1.599 17.122 3.764 1.00 1.42 H new ATOM 0 HB2 SER A 13 3.524 17.874 2.411 1.00 1.72 H new ATOM 0 HB3 SER A 13 3.346 18.819 3.875 1.00 1.72 H new ATOM 0 HG SER A 13 5.494 17.472 3.071 1.00 2.45 H new ATOM 184 N PRO A 14 1.834 14.577 3.342 1.00 0.96 N ATOM 185 CA PRO A 14 1.959 13.222 2.794 1.00 0.92 C ATOM 186 C PRO A 14 2.403 13.212 1.338 1.00 0.86 C ATOM 187 O PRO A 14 3.039 12.265 0.886 1.00 0.90 O ATOM 188 CB PRO A 14 0.546 12.643 2.924 1.00 1.18 C ATOM 189 CG PRO A 14 -0.348 13.827 3.059 1.00 1.23 C ATOM 190 CD PRO A 14 0.458 14.865 3.781 1.00 1.14 C ATOM 0 HA PRO A 14 2.720 12.649 3.324 1.00 0.92 H new ATOM 0 HB2 PRO A 14 0.282 12.047 2.050 1.00 1.18 H new ATOM 0 HB3 PRO A 14 0.467 11.988 3.792 1.00 1.18 H new ATOM 0 HG2 PRO A 14 -0.668 14.189 2.082 1.00 1.23 H new ATOM 0 HG3 PRO A 14 -1.250 13.575 3.616 1.00 1.23 H new ATOM 0 HD2 PRO A 14 0.151 15.875 3.511 1.00 1.14 H new ATOM 0 HD3 PRO A 14 0.352 14.778 4.862 1.00 1.14 H new ATOM 198 N LEU A 15 2.064 14.269 0.609 1.00 0.89 N ATOM 199 CA LEU A 15 2.427 14.374 -0.800 1.00 0.90 C ATOM 200 C LEU A 15 3.900 14.041 -1.020 1.00 0.84 C ATOM 201 O LEU A 15 4.263 13.423 -2.021 1.00 0.84 O ATOM 202 CB LEU A 15 2.131 15.784 -1.318 1.00 1.07 C ATOM 203 CG LEU A 15 2.423 16.009 -2.804 1.00 1.33 C ATOM 204 CD1 LEU A 15 1.565 15.093 -3.665 1.00 1.67 C ATOM 205 CD2 LEU A 15 2.187 17.465 -3.176 1.00 1.72 C ATOM 0 H LEU A 15 1.539 15.065 0.970 1.00 0.89 H new ATOM 0 HA LEU A 15 1.828 13.651 -1.354 1.00 0.90 H new ATOM 0 HB2 LEU A 15 1.081 16.008 -1.133 1.00 1.07 H new ATOM 0 HB3 LEU A 15 2.716 16.497 -0.737 1.00 1.07 H new ATOM 0 HG LEU A 15 3.470 15.769 -2.989 1.00 1.33 H new ATOM 0 HD11 LEU A 15 1.788 15.269 -4.717 1.00 1.67 H new ATOM 0 HD12 LEU A 15 1.780 14.054 -3.417 1.00 1.67 H new ATOM 0 HD13 LEU A 15 0.511 15.300 -3.478 1.00 1.67 H new ATOM 0 HD21 LEU A 15 2.399 17.609 -4.235 1.00 1.72 H new ATOM 0 HD22 LEU A 15 1.149 17.728 -2.975 1.00 1.72 H new ATOM 0 HD23 LEU A 15 2.844 18.103 -2.585 1.00 1.72 H new ATOM 217 N GLU A 16 4.747 14.458 -0.084 1.00 0.86 N ATOM 218 CA GLU A 16 6.183 14.209 -0.183 1.00 0.88 C ATOM 219 C GLU A 16 6.522 12.731 0.010 1.00 0.76 C ATOM 220 O GLU A 16 7.170 12.122 -0.840 1.00 0.75 O ATOM 221 CB GLU A 16 6.940 15.051 0.844 1.00 1.05 C ATOM 222 CG GLU A 16 6.745 16.548 0.665 1.00 1.40 C ATOM 223 CD GLU A 16 7.560 17.364 1.651 1.00 1.82 C ATOM 224 OE1 GLU A 16 7.364 17.186 2.871 1.00 2.16 O ATOM 225 OE2 GLU A 16 8.391 18.179 1.202 1.00 2.49 O ATOM 0 H GLU A 16 4.465 14.970 0.752 1.00 0.86 H new ATOM 0 HA GLU A 16 6.492 14.494 -1.189 1.00 0.88 H new ATOM 0 HB2 GLU A 16 6.614 14.768 1.845 1.00 1.05 H new ATOM 0 HB3 GLU A 16 8.003 14.821 0.778 1.00 1.05 H new ATOM 0 HG2 GLU A 16 7.024 16.828 -0.351 1.00 1.40 H new ATOM 0 HG3 GLU A 16 5.689 16.790 0.784 1.00 1.40 H new ATOM 232 N GLN A 17 6.098 12.162 1.137 1.00 0.73 N ATOM 233 CA GLN A 17 6.380 10.760 1.436 1.00 0.71 C ATOM 234 C GLN A 17 5.793 9.846 0.369 1.00 0.57 C ATOM 235 O GLN A 17 6.472 8.955 -0.145 1.00 0.51 O ATOM 236 CB GLN A 17 5.832 10.391 2.814 1.00 0.86 C ATOM 237 CG GLN A 17 6.173 11.415 3.886 1.00 1.20 C ATOM 238 CD GLN A 17 7.666 11.663 4.018 1.00 1.35 C ATOM 239 OE1 GLN A 17 8.478 10.756 3.483 1.00 2.20 O flip ATOM 240 NE2 GLN A 17 8.087 12.656 4.609 1.00 1.36 N flip ATOM 0 H GLN A 17 5.560 12.648 1.855 1.00 0.73 H new ATOM 0 HA GLN A 17 7.461 10.624 1.440 1.00 0.71 H new ATOM 0 HB2 GLN A 17 4.749 10.286 2.751 1.00 0.86 H new ATOM 0 HB3 GLN A 17 6.230 9.420 3.108 1.00 0.86 H new ATOM 0 HG2 GLN A 17 5.673 12.356 3.654 1.00 1.20 H new ATOM 0 HG3 GLN A 17 5.781 11.074 4.844 1.00 1.20 H new ATOM 0 HE21 GLN A 17 7.432 13.329 5.006 1.00 1.36 H new ATOM 0 HE22 GLN A 17 9.092 12.806 4.702 1.00 1.36 H new ATOM 249 N VAL A 18 4.534 10.077 0.025 1.00 0.57 N ATOM 250 CA VAL A 18 3.871 9.280 -0.995 1.00 0.53 C ATOM 251 C VAL A 18 4.732 9.233 -2.254 1.00 0.49 C ATOM 252 O VAL A 18 4.804 8.210 -2.932 1.00 0.51 O ATOM 253 CB VAL A 18 2.472 9.833 -1.334 1.00 0.62 C ATOM 254 CG1 VAL A 18 1.801 8.980 -2.398 1.00 1.10 C ATOM 255 CG2 VAL A 18 1.613 9.894 -0.082 1.00 1.25 C ATOM 0 H VAL A 18 3.953 10.808 0.436 1.00 0.57 H new ATOM 0 HA VAL A 18 3.741 8.272 -0.600 1.00 0.53 H new ATOM 0 HB VAL A 18 2.586 10.843 -1.728 1.00 0.62 H new ATOM 0 HG11 VAL A 18 0.815 9.387 -2.623 1.00 1.10 H new ATOM 0 HG12 VAL A 18 2.409 8.982 -3.303 1.00 1.10 H new ATOM 0 HG13 VAL A 18 1.697 7.958 -2.033 1.00 1.10 H new ATOM 0 HG21 VAL A 18 0.628 10.286 -0.335 1.00 1.25 H new ATOM 0 HG22 VAL A 18 1.508 8.893 0.337 1.00 1.25 H new ATOM 0 HG23 VAL A 18 2.086 10.547 0.652 1.00 1.25 H new ATOM 265 N ASN A 19 5.412 10.346 -2.543 1.00 0.52 N ATOM 266 CA ASN A 19 6.294 10.425 -3.700 1.00 0.57 C ATOM 267 C ASN A 19 7.495 9.502 -3.518 1.00 0.50 C ATOM 268 O ASN A 19 7.989 8.928 -4.482 1.00 0.52 O ATOM 269 CB ASN A 19 6.769 11.863 -3.926 1.00 0.72 C ATOM 270 CG ASN A 19 5.653 12.794 -4.369 1.00 1.26 C ATOM 271 OD1 ASN A 19 4.441 12.263 -4.501 1.00 1.96 O flip ATOM 272 ND2 ASN A 19 5.880 13.983 -4.592 1.00 1.71 N flip ATOM 0 H ASN A 19 5.366 11.201 -1.989 1.00 0.52 H new ATOM 0 HA ASN A 19 5.731 10.105 -4.576 1.00 0.57 H new ATOM 0 HB2 ASN A 19 7.208 12.244 -3.004 1.00 0.72 H new ATOM 0 HB3 ASN A 19 7.557 11.865 -4.679 1.00 0.72 H new ATOM 0 HD21 ASN A 19 6.824 14.352 -4.479 1.00 1.71 H new ATOM 0 HD22 ASN A 19 5.124 14.599 -4.890 1.00 1.71 H new ATOM 279 N ALA A 20 7.948 9.353 -2.270 1.00 0.49 N ATOM 280 CA ALA A 20 9.080 8.478 -1.961 1.00 0.49 C ATOM 281 C ALA A 20 8.885 7.122 -2.613 1.00 0.42 C ATOM 282 O ALA A 20 9.727 6.649 -3.376 1.00 0.48 O ATOM 283 CB ALA A 20 9.227 8.311 -0.457 1.00 0.57 C ATOM 0 H ALA A 20 7.549 9.826 -1.460 1.00 0.49 H new ATOM 0 HA ALA A 20 9.988 8.936 -2.354 1.00 0.49 H new ATOM 0 HB1 ALA A 20 10.073 7.658 -0.244 1.00 0.57 H new ATOM 0 HB2 ALA A 20 9.396 9.285 0.002 1.00 0.57 H new ATOM 0 HB3 ALA A 20 8.317 7.871 -0.049 1.00 0.57 H new ATOM 289 N ALA A 21 7.754 6.512 -2.309 1.00 0.41 N ATOM 290 CA ALA A 21 7.422 5.208 -2.862 1.00 0.45 C ATOM 291 C ALA A 21 7.044 5.324 -4.334 1.00 0.36 C ATOM 292 O ALA A 21 7.441 4.499 -5.151 1.00 0.40 O ATOM 293 CB ALA A 21 6.290 4.573 -2.078 1.00 0.64 C ATOM 0 H ALA A 21 7.048 6.898 -1.682 1.00 0.41 H new ATOM 0 HA ALA A 21 8.303 4.571 -2.783 1.00 0.45 H new ATOM 0 HB1 ALA A 21 6.054 3.598 -2.505 1.00 0.64 H new ATOM 0 HB2 ALA A 21 6.592 4.450 -1.038 1.00 0.64 H new ATOM 0 HB3 ALA A 21 5.409 5.213 -2.127 1.00 0.64 H new ATOM 299 N LEU A 22 6.280 6.363 -4.667 1.00 0.40 N ATOM 300 CA LEU A 22 5.857 6.596 -6.046 1.00 0.47 C ATOM 301 C LEU A 22 7.069 6.852 -6.933 1.00 0.44 C ATOM 302 O LEU A 22 6.988 6.791 -8.161 1.00 0.53 O ATOM 303 CB LEU A 22 4.892 7.784 -6.118 1.00 0.64 C ATOM 304 CG LEU A 22 3.503 7.536 -5.526 1.00 1.16 C ATOM 305 CD1 LEU A 22 2.632 8.773 -5.681 1.00 1.74 C ATOM 306 CD2 LEU A 22 2.842 6.333 -6.186 1.00 1.73 C ATOM 0 H LEU A 22 5.941 7.057 -4.000 1.00 0.40 H new ATOM 0 HA LEU A 22 5.340 5.706 -6.403 1.00 0.47 H new ATOM 0 HB2 LEU A 22 5.344 8.630 -5.600 1.00 0.64 H new ATOM 0 HB3 LEU A 22 4.777 8.075 -7.162 1.00 0.64 H new ATOM 0 HG LEU A 22 3.617 7.322 -4.463 1.00 1.16 H new ATOM 0 HD11 LEU A 22 1.647 8.580 -5.255 1.00 1.74 H new ATOM 0 HD12 LEU A 22 3.095 9.611 -5.161 1.00 1.74 H new ATOM 0 HD13 LEU A 22 2.529 9.015 -6.739 1.00 1.74 H new ATOM 0 HD21 LEU A 22 1.856 6.175 -5.750 1.00 1.73 H new ATOM 0 HD22 LEU A 22 2.741 6.515 -7.256 1.00 1.73 H new ATOM 0 HD23 LEU A 22 3.456 5.447 -6.025 1.00 1.73 H new ATOM 318 N LYS A 23 8.189 7.137 -6.287 1.00 0.43 N ATOM 319 CA LYS A 23 9.442 7.408 -6.972 1.00 0.52 C ATOM 320 C LYS A 23 10.091 6.111 -7.437 1.00 0.47 C ATOM 321 O LYS A 23 10.342 5.923 -8.629 1.00 0.56 O ATOM 322 CB LYS A 23 10.371 8.160 -6.021 1.00 0.61 C ATOM 323 CG LYS A 23 11.775 8.378 -6.551 1.00 1.13 C ATOM 324 CD LYS A 23 12.624 9.110 -5.527 1.00 1.51 C ATOM 325 CE LYS A 23 12.204 10.566 -5.391 1.00 2.12 C ATOM 326 NZ LYS A 23 13.021 11.287 -4.376 1.00 2.74 N ATOM 0 H LYS A 23 8.254 7.187 -5.270 1.00 0.43 H new ATOM 0 HA LYS A 23 9.249 8.018 -7.854 1.00 0.52 H new ATOM 0 HB2 LYS A 23 9.928 9.130 -5.793 1.00 0.61 H new ATOM 0 HB3 LYS A 23 10.432 7.609 -5.083 1.00 0.61 H new ATOM 0 HG2 LYS A 23 12.232 7.418 -6.791 1.00 1.13 H new ATOM 0 HG3 LYS A 23 11.735 8.953 -7.476 1.00 1.13 H new ATOM 0 HD2 LYS A 23 12.538 8.614 -4.560 1.00 1.51 H new ATOM 0 HD3 LYS A 23 13.673 9.059 -5.819 1.00 1.51 H new ATOM 0 HE2 LYS A 23 12.302 11.064 -6.356 1.00 2.12 H new ATOM 0 HE3 LYS A 23 11.152 10.616 -5.112 1.00 2.12 H new ATOM 0 HZ1 LYS A 23 12.995 12.308 -4.571 1.00 2.74 H new ATOM 0 HZ2 LYS A 23 12.635 11.106 -3.427 1.00 2.74 H new ATOM 0 HZ3 LYS A 23 14.004 10.951 -4.419 1.00 2.74 H new ATOM 340 N ALA A 24 10.349 5.216 -6.490 1.00 0.40 N ATOM 341 CA ALA A 24 10.958 3.929 -6.802 1.00 0.43 C ATOM 342 C ALA A 24 9.980 3.038 -7.552 1.00 0.38 C ATOM 343 O ALA A 24 10.353 2.346 -8.497 1.00 0.46 O ATOM 344 CB ALA A 24 11.423 3.243 -5.527 1.00 0.51 C ATOM 0 H ALA A 24 10.146 5.358 -5.501 1.00 0.40 H new ATOM 0 HA ALA A 24 11.822 4.105 -7.442 1.00 0.43 H new ATOM 0 HB1 ALA A 24 11.876 2.283 -5.775 1.00 0.51 H new ATOM 0 HB2 ALA A 24 12.157 3.871 -5.023 1.00 0.51 H new ATOM 0 HB3 ALA A 24 10.570 3.082 -4.868 1.00 0.51 H new ATOM 350 N LEU A 25 8.723 3.062 -7.121 1.00 0.43 N ATOM 351 CA LEU A 25 7.682 2.258 -7.747 1.00 0.40 C ATOM 352 C LEU A 25 7.425 2.743 -9.167 1.00 0.37 C ATOM 353 O LEU A 25 7.297 1.940 -10.091 1.00 0.45 O ATOM 354 CB LEU A 25 6.392 2.325 -6.930 1.00 0.47 C ATOM 355 CG LEU A 25 5.481 1.108 -7.065 1.00 0.56 C ATOM 356 CD1 LEU A 25 6.170 -0.131 -6.514 1.00 0.96 C ATOM 357 CD2 LEU A 25 4.164 1.354 -6.345 1.00 1.04 C ATOM 0 H LEU A 25 8.401 3.632 -6.338 1.00 0.43 H new ATOM 0 HA LEU A 25 8.020 1.222 -7.783 1.00 0.40 H new ATOM 0 HB2 LEU A 25 6.651 2.452 -5.879 1.00 0.47 H new ATOM 0 HB3 LEU A 25 5.835 3.213 -7.230 1.00 0.47 H new ATOM 0 HG LEU A 25 5.271 0.943 -8.122 1.00 0.56 H new ATOM 0 HD11 LEU A 25 5.509 -0.991 -6.617 1.00 0.96 H new ATOM 0 HD12 LEU A 25 7.090 -0.313 -7.069 1.00 0.96 H new ATOM 0 HD13 LEU A 25 6.405 0.022 -5.461 1.00 0.96 H new ATOM 0 HD21 LEU A 25 3.523 0.478 -6.449 1.00 1.04 H new ATOM 0 HD22 LEU A 25 4.356 1.540 -5.288 1.00 1.04 H new ATOM 0 HD23 LEU A 25 3.667 2.221 -6.781 1.00 1.04 H new ATOM 369 N GLY A 26 7.363 4.065 -9.332 1.00 0.43 N ATOM 370 CA GLY A 26 7.139 4.634 -10.646 1.00 0.53 C ATOM 371 C GLY A 26 8.109 4.067 -11.655 1.00 0.56 C ATOM 372 O GLY A 26 7.723 3.697 -12.765 1.00 0.82 O ATOM 0 H GLY A 26 7.464 4.747 -8.580 1.00 0.43 H new ATOM 0 HA2 GLY A 26 6.117 4.430 -10.965 1.00 0.53 H new ATOM 0 HA3 GLY A 26 7.249 5.718 -10.600 1.00 0.53 H new ATOM 376 N ASP A 27 9.372 3.968 -11.252 1.00 0.59 N ATOM 377 CA ASP A 27 10.405 3.409 -12.107 1.00 0.76 C ATOM 378 C ASP A 27 11.194 2.351 -11.343 1.00 0.56 C ATOM 379 O ASP A 27 12.070 2.668 -10.539 1.00 0.81 O ATOM 380 CB ASP A 27 11.341 4.512 -12.606 1.00 1.35 C ATOM 381 CG ASP A 27 12.396 3.993 -13.566 1.00 2.02 C ATOM 382 OD1 ASP A 27 13.209 3.143 -13.148 1.00 2.61 O ATOM 383 OD2 ASP A 27 12.409 4.436 -14.733 1.00 2.42 O ATOM 0 H ASP A 27 9.702 4.270 -10.335 1.00 0.59 H new ATOM 0 HA ASP A 27 9.932 2.943 -12.971 1.00 0.76 H new ATOM 0 HB2 ASP A 27 10.754 5.285 -13.101 1.00 1.35 H new ATOM 0 HB3 ASP A 27 11.831 4.981 -11.753 1.00 1.35 H new ATOM 388 N ILE A 28 10.875 1.092 -11.612 1.00 0.51 N ATOM 389 CA ILE A 28 11.539 -0.036 -10.973 1.00 0.51 C ATOM 390 C ILE A 28 12.375 -0.778 -12.004 1.00 0.49 C ATOM 391 O ILE A 28 11.992 -0.825 -13.173 1.00 0.48 O ATOM 392 CB ILE A 28 10.505 -1.012 -10.364 1.00 0.71 C ATOM 393 CG1 ILE A 28 9.404 -0.232 -9.642 1.00 0.82 C ATOM 394 CG2 ILE A 28 11.168 -1.993 -9.409 1.00 0.83 C ATOM 395 CD1 ILE A 28 8.393 -1.110 -8.935 1.00 1.26 C ATOM 0 H ILE A 28 10.150 0.824 -12.278 1.00 0.51 H new ATOM 0 HA ILE A 28 12.174 0.345 -10.173 1.00 0.51 H new ATOM 0 HB ILE A 28 10.061 -1.584 -11.179 1.00 0.71 H new ATOM 0 HG12 ILE A 28 9.863 0.436 -8.913 1.00 0.82 H new ATOM 0 HG13 ILE A 28 8.883 0.396 -10.365 1.00 0.82 H new ATOM 0 HG21 ILE A 28 10.415 -2.665 -8.998 1.00 0.83 H new ATOM 0 HG22 ILE A 28 11.918 -2.573 -9.946 1.00 0.83 H new ATOM 0 HG23 ILE A 28 11.646 -1.444 -8.598 1.00 0.83 H new ATOM 0 HD11 ILE A 28 7.646 -0.484 -8.447 1.00 1.26 H new ATOM 0 HD12 ILE A 28 7.905 -1.760 -9.661 1.00 1.26 H new ATOM 0 HD13 ILE A 28 8.900 -1.719 -8.187 1.00 1.26 H new ATOM 407 N PRO A 29 13.522 -1.363 -11.604 1.00 0.68 N ATOM 408 CA PRO A 29 14.397 -2.102 -12.503 1.00 0.83 C ATOM 409 C PRO A 29 13.689 -2.679 -13.732 1.00 0.70 C ATOM 410 O PRO A 29 14.181 -2.548 -14.852 1.00 0.88 O ATOM 411 CB PRO A 29 14.883 -3.210 -11.582 1.00 1.07 C ATOM 412 CG PRO A 29 15.045 -2.540 -10.254 1.00 1.14 C ATOM 413 CD PRO A 29 14.086 -1.366 -10.235 1.00 0.87 C ATOM 0 HA PRO A 29 15.174 -1.477 -12.943 1.00 0.83 H new ATOM 0 HB2 PRO A 29 14.165 -4.028 -11.530 1.00 1.07 H new ATOM 0 HB3 PRO A 29 15.824 -3.634 -11.932 1.00 1.07 H new ATOM 0 HG2 PRO A 29 14.824 -3.233 -9.442 1.00 1.14 H new ATOM 0 HG3 PRO A 29 16.072 -2.202 -10.114 1.00 1.14 H new ATOM 0 HD2 PRO A 29 13.310 -1.493 -9.481 1.00 0.87 H new ATOM 0 HD3 PRO A 29 14.599 -0.431 -10.010 1.00 0.87 H new ATOM 421 N GLU A 30 12.537 -3.317 -13.521 1.00 0.54 N ATOM 422 CA GLU A 30 11.784 -3.908 -14.628 1.00 0.58 C ATOM 423 C GLU A 30 10.293 -3.573 -14.546 1.00 0.60 C ATOM 424 O GLU A 30 9.623 -3.422 -15.567 1.00 1.01 O ATOM 425 CB GLU A 30 11.953 -5.430 -14.623 1.00 0.62 C ATOM 426 CG GLU A 30 13.398 -5.895 -14.545 1.00 0.63 C ATOM 427 CD GLU A 30 14.232 -5.425 -15.720 1.00 1.39 C ATOM 428 OE1 GLU A 30 13.843 -5.701 -16.874 1.00 1.66 O ATOM 429 OE2 GLU A 30 15.270 -4.772 -15.485 1.00 2.35 O ATOM 0 H GLU A 30 12.108 -3.437 -12.603 1.00 0.54 H new ATOM 0 HA GLU A 30 12.181 -3.487 -15.552 1.00 0.58 H new ATOM 0 HB2 GLU A 30 11.404 -5.843 -13.777 1.00 0.62 H new ATOM 0 HB3 GLU A 30 11.500 -5.838 -15.527 1.00 0.62 H new ATOM 0 HG2 GLU A 30 13.843 -5.528 -13.620 1.00 0.63 H new ATOM 0 HG3 GLU A 30 13.422 -6.984 -14.501 1.00 0.63 H new ATOM 436 N SER A 31 9.779 -3.490 -13.323 1.00 0.36 N ATOM 437 CA SER A 31 8.361 -3.210 -13.085 1.00 0.34 C ATOM 438 C SER A 31 7.904 -1.894 -13.720 1.00 0.36 C ATOM 439 O SER A 31 8.711 -1.134 -14.256 1.00 0.46 O ATOM 440 CB SER A 31 8.095 -3.166 -11.584 1.00 0.37 C ATOM 441 OG SER A 31 8.599 -4.323 -10.941 1.00 0.83 O ATOM 0 H SER A 31 10.327 -3.614 -12.472 1.00 0.36 H new ATOM 0 HA SER A 31 7.791 -4.012 -13.553 1.00 0.34 H new ATOM 0 HB2 SER A 31 8.559 -2.277 -11.156 1.00 0.37 H new ATOM 0 HB3 SER A 31 7.023 -3.084 -11.404 1.00 0.37 H new ATOM 0 HG SER A 31 8.417 -4.269 -9.980 1.00 0.83 H new ATOM 447 N HIS A 32 6.592 -1.634 -13.639 1.00 0.33 N ATOM 448 CA HIS A 32 6.009 -0.411 -14.190 1.00 0.39 C ATOM 449 C HIS A 32 4.597 -0.177 -13.657 1.00 0.34 C ATOM 450 O HIS A 32 3.759 -1.079 -13.650 1.00 0.36 O ATOM 451 CB HIS A 32 5.990 -0.456 -15.718 1.00 0.51 C ATOM 452 CG HIS A 32 5.199 0.651 -16.348 1.00 0.94 C ATOM 453 ND1 HIS A 32 5.490 1.987 -16.162 1.00 1.83 N ATOM 454 CD2 HIS A 32 4.123 0.613 -17.168 1.00 1.60 C ATOM 455 CE1 HIS A 32 4.627 2.722 -16.841 1.00 2.29 C ATOM 456 NE2 HIS A 32 3.788 1.913 -17.460 1.00 2.07 N ATOM 0 H HIS A 32 5.917 -2.257 -13.196 1.00 0.33 H new ATOM 0 HA HIS A 32 6.637 0.420 -13.870 1.00 0.39 H new ATOM 0 HB2 HIS A 32 7.015 -0.412 -16.086 1.00 0.51 H new ATOM 0 HB3 HIS A 32 5.577 -1.412 -16.039 1.00 0.51 H new ATOM 0 HD2 HIS A 32 3.621 -0.274 -17.526 1.00 1.60 H new ATOM 0 HE1 HIS A 32 4.611 3.801 -16.882 1.00 2.29 H new ATOM 0 HE2 HIS A 32 3.016 2.206 -18.059 1.00 2.07 H new ATOM 465 N ILE A 33 4.356 1.047 -13.209 1.00 0.36 N ATOM 466 CA ILE A 33 3.066 1.448 -12.660 1.00 0.36 C ATOM 467 C ILE A 33 1.958 1.436 -13.716 1.00 0.38 C ATOM 468 O ILE A 33 2.212 1.655 -14.901 1.00 0.50 O ATOM 469 CB ILE A 33 3.177 2.858 -12.052 1.00 0.53 C ATOM 470 CG1 ILE A 33 4.018 2.816 -10.776 1.00 0.58 C ATOM 471 CG2 ILE A 33 1.804 3.456 -11.775 1.00 0.93 C ATOM 472 CD1 ILE A 33 3.445 1.924 -9.700 1.00 1.05 C ATOM 0 H ILE A 33 5.051 1.793 -13.216 1.00 0.36 H new ATOM 0 HA ILE A 33 2.799 0.723 -11.891 1.00 0.36 H new ATOM 0 HB ILE A 33 3.672 3.502 -12.779 1.00 0.53 H new ATOM 0 HG12 ILE A 33 5.022 2.472 -11.024 1.00 0.58 H new ATOM 0 HG13 ILE A 33 4.116 3.828 -10.383 1.00 0.58 H new ATOM 0 HG21 ILE A 33 1.920 4.451 -11.346 1.00 0.93 H new ATOM 0 HG22 ILE A 33 1.243 3.526 -12.707 1.00 0.93 H new ATOM 0 HG23 ILE A 33 1.265 2.820 -11.073 1.00 0.93 H new ATOM 0 HD11 ILE A 33 4.095 1.945 -8.826 1.00 1.05 H new ATOM 0 HD12 ILE A 33 2.453 2.280 -9.423 1.00 1.05 H new ATOM 0 HD13 ILE A 33 3.373 0.903 -10.074 1.00 1.05 H new ATOM 484 N LEU A 34 0.723 1.194 -13.269 1.00 0.38 N ATOM 485 CA LEU A 34 -0.433 1.171 -14.161 1.00 0.50 C ATOM 486 C LEU A 34 -1.611 1.933 -13.554 1.00 0.46 C ATOM 487 O LEU A 34 -1.974 3.009 -14.028 1.00 0.60 O ATOM 488 CB LEU A 34 -0.853 -0.266 -14.477 1.00 0.65 C ATOM 489 CG LEU A 34 0.158 -1.084 -15.280 1.00 1.01 C ATOM 490 CD1 LEU A 34 -0.400 -2.465 -15.578 1.00 1.69 C ATOM 491 CD2 LEU A 34 0.523 -0.367 -16.574 1.00 1.34 C ATOM 0 H LEU A 34 0.500 1.011 -12.291 1.00 0.38 H new ATOM 0 HA LEU A 34 -0.140 1.663 -15.088 1.00 0.50 H new ATOM 0 HB2 LEU A 34 -1.050 -0.784 -13.538 1.00 0.65 H new ATOM 0 HB3 LEU A 34 -1.793 -0.239 -15.029 1.00 0.65 H new ATOM 0 HG LEU A 34 1.063 -1.195 -14.683 1.00 1.01 H new ATOM 0 HD11 LEU A 34 0.330 -3.037 -16.150 1.00 1.69 H new ATOM 0 HD12 LEU A 34 -0.612 -2.981 -14.642 1.00 1.69 H new ATOM 0 HD13 LEU A 34 -1.319 -2.369 -16.156 1.00 1.69 H new ATOM 0 HD21 LEU A 34 1.244 -0.966 -17.131 1.00 1.34 H new ATOM 0 HD22 LEU A 34 -0.374 -0.225 -17.177 1.00 1.34 H new ATOM 0 HD23 LEU A 34 0.961 0.604 -16.341 1.00 1.34 H new ATOM 503 N THR A 35 -2.205 1.368 -12.502 1.00 0.46 N ATOM 504 CA THR A 35 -3.344 2.005 -11.835 1.00 0.43 C ATOM 505 C THR A 35 -2.948 2.557 -10.471 1.00 0.43 C ATOM 506 O THR A 35 -2.360 1.852 -9.651 1.00 0.52 O ATOM 507 CB THR A 35 -4.505 1.017 -11.684 1.00 0.49 C ATOM 508 OG1 THR A 35 -4.070 -0.176 -11.067 1.00 0.68 O ATOM 509 CG2 THR A 35 -5.151 0.646 -13.002 1.00 0.72 C ATOM 0 H THR A 35 -1.920 0.477 -12.095 1.00 0.46 H new ATOM 0 HA THR A 35 -3.668 2.837 -12.460 1.00 0.43 H new ATOM 0 HB THR A 35 -5.244 1.531 -11.069 1.00 0.49 H new ATOM 0 HG1 THR A 35 -4.463 -0.946 -11.529 1.00 0.68 H new ATOM 0 HG21 THR A 35 -5.965 -0.056 -12.823 1.00 0.72 H new ATOM 0 HG22 THR A 35 -5.544 1.543 -13.480 1.00 0.72 H new ATOM 0 HG23 THR A 35 -4.409 0.183 -13.653 1.00 0.72 H new ATOM 517 N VAL A 36 -3.283 3.825 -10.235 1.00 0.40 N ATOM 518 CA VAL A 36 -2.974 4.488 -8.970 1.00 0.46 C ATOM 519 C VAL A 36 -3.974 5.604 -8.677 1.00 0.48 C ATOM 520 O VAL A 36 -3.934 6.668 -9.295 1.00 0.56 O ATOM 521 CB VAL A 36 -1.544 5.082 -8.962 1.00 0.58 C ATOM 522 CG1 VAL A 36 -0.496 3.983 -8.975 1.00 1.32 C ATOM 523 CG2 VAL A 36 -1.342 6.019 -10.141 1.00 1.45 C ATOM 0 H VAL A 36 -3.771 4.416 -10.908 1.00 0.40 H new ATOM 0 HA VAL A 36 -3.040 3.723 -8.196 1.00 0.46 H new ATOM 0 HB VAL A 36 -1.427 5.654 -8.042 1.00 0.58 H new ATOM 0 HG11 VAL A 36 0.499 4.429 -8.969 1.00 1.32 H new ATOM 0 HG12 VAL A 36 -0.617 3.354 -8.093 1.00 1.32 H new ATOM 0 HG13 VAL A 36 -0.616 3.376 -9.872 1.00 1.32 H new ATOM 0 HG21 VAL A 36 -0.330 6.424 -10.115 1.00 1.45 H new ATOM 0 HG22 VAL A 36 -1.489 5.470 -11.071 1.00 1.45 H new ATOM 0 HG23 VAL A 36 -2.062 6.836 -10.084 1.00 1.45 H new ATOM 533 N SER A 37 -4.873 5.357 -7.730 1.00 0.45 N ATOM 534 CA SER A 37 -5.883 6.345 -7.362 1.00 0.54 C ATOM 535 C SER A 37 -6.523 6.003 -6.021 1.00 0.57 C ATOM 536 O SER A 37 -6.000 5.190 -5.260 1.00 1.08 O ATOM 537 CB SER A 37 -6.965 6.431 -8.443 1.00 0.65 C ATOM 538 OG SER A 37 -6.425 6.844 -9.686 1.00 1.28 O ATOM 0 H SER A 37 -4.924 4.484 -7.204 1.00 0.45 H new ATOM 0 HA SER A 37 -5.386 7.311 -7.273 1.00 0.54 H new ATOM 0 HB2 SER A 37 -7.444 5.459 -8.558 1.00 0.65 H new ATOM 0 HB3 SER A 37 -7.739 7.132 -8.130 1.00 0.65 H new ATOM 0 HG SER A 37 -5.509 7.166 -9.554 1.00 1.28 H new ATOM 544 N SER A 38 -7.668 6.627 -5.752 1.00 0.59 N ATOM 545 CA SER A 38 -8.409 6.395 -4.515 1.00 0.59 C ATOM 546 C SER A 38 -7.633 6.863 -3.286 1.00 0.52 C ATOM 547 O SER A 38 -7.497 6.123 -2.310 1.00 0.63 O ATOM 548 CB SER A 38 -8.767 4.912 -4.382 1.00 0.78 C ATOM 549 OG SER A 38 -9.554 4.476 -5.477 1.00 1.68 O ATOM 0 H SER A 38 -8.105 7.302 -6.380 1.00 0.59 H new ATOM 0 HA SER A 38 -9.325 6.984 -4.567 1.00 0.59 H new ATOM 0 HB2 SER A 38 -7.855 4.318 -4.327 1.00 0.78 H new ATOM 0 HB3 SER A 38 -9.311 4.748 -3.452 1.00 0.78 H new ATOM 0 HG SER A 38 -8.968 4.150 -6.192 1.00 1.68 H new ATOM 555 N PHE A 39 -7.144 8.102 -3.325 1.00 0.44 N ATOM 556 CA PHE A 39 -6.412 8.661 -2.193 1.00 0.50 C ATOM 557 C PHE A 39 -7.365 8.867 -1.025 1.00 0.57 C ATOM 558 O PHE A 39 -8.048 9.886 -0.934 1.00 0.75 O ATOM 559 CB PHE A 39 -5.750 9.990 -2.567 1.00 0.59 C ATOM 560 CG PHE A 39 -4.630 9.869 -3.565 1.00 0.59 C ATOM 561 CD1 PHE A 39 -4.818 9.169 -4.747 1.00 0.65 C ATOM 562 CD2 PHE A 39 -3.392 10.445 -3.324 1.00 0.83 C ATOM 563 CE1 PHE A 39 -3.796 9.047 -5.669 1.00 0.98 C ATOM 564 CE2 PHE A 39 -2.365 10.326 -4.243 1.00 1.19 C ATOM 565 CZ PHE A 39 -2.553 9.657 -5.403 1.00 1.26 C ATOM 0 H PHE A 39 -7.241 8.732 -4.121 1.00 0.44 H new ATOM 0 HA PHE A 39 -5.627 7.961 -1.908 1.00 0.50 H new ATOM 0 HB2 PHE A 39 -6.510 10.659 -2.971 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -5.364 10.457 -1.661 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -5.776 8.713 -4.950 1.00 0.65 H new ATOM 0 HD2 PHE A 39 -3.228 10.993 -2.408 1.00 0.83 H new ATOM 0 HE1 PHE A 39 -3.948 8.491 -6.582 1.00 0.98 H new ATOM 0 HE2 PHE A 39 -1.404 10.772 -4.032 1.00 1.19 H new ATOM 0 HZ PHE A 39 -1.752 9.590 -6.125 1.00 1.26 H new ATOM 575 N TYR A 40 -7.432 7.878 -0.145 1.00 0.65 N ATOM 576 CA TYR A 40 -8.334 7.940 0.997 1.00 0.81 C ATOM 577 C TYR A 40 -7.670 8.564 2.220 1.00 0.71 C ATOM 578 O TYR A 40 -6.479 8.874 2.216 1.00 0.71 O ATOM 579 CB TYR A 40 -8.839 6.539 1.332 1.00 1.01 C ATOM 580 CG TYR A 40 -7.735 5.600 1.748 1.00 1.49 C ATOM 581 CD1 TYR A 40 -7.225 5.632 3.037 1.00 2.39 C ATOM 582 CD2 TYR A 40 -7.199 4.688 0.850 1.00 1.73 C ATOM 583 CE1 TYR A 40 -6.212 4.783 3.420 1.00 3.35 C ATOM 584 CE2 TYR A 40 -6.181 3.837 1.227 1.00 2.61 C ATOM 585 CZ TYR A 40 -5.694 3.889 2.515 1.00 3.41 C ATOM 586 OH TYR A 40 -4.671 3.051 2.898 1.00 4.43 O ATOM 0 H TYR A 40 -6.875 7.025 -0.199 1.00 0.65 H new ATOM 0 HA TYR A 40 -9.173 8.579 0.722 1.00 0.81 H new ATOM 0 HB2 TYR A 40 -9.574 6.606 2.134 1.00 1.01 H new ATOM 0 HB3 TYR A 40 -9.352 6.126 0.463 1.00 1.01 H new ATOM 0 HD1 TYR A 40 -7.629 6.334 3.751 1.00 2.39 H new ATOM 0 HD2 TYR A 40 -7.584 4.644 -0.158 1.00 1.73 H new ATOM 0 HE1 TYR A 40 -5.826 4.819 4.428 1.00 3.35 H new ATOM 0 HE2 TYR A 40 -5.769 3.135 0.518 1.00 2.61 H new ATOM 0 HH TYR A 40 -4.692 2.238 2.351 1.00 4.43 H new ATOM 596 N ARG A 41 -8.472 8.734 3.268 1.00 0.70 N ATOM 597 CA ARG A 41 -8.008 9.313 4.523 1.00 0.67 C ATOM 598 C ARG A 41 -7.876 8.235 5.594 1.00 0.64 C ATOM 599 O ARG A 41 -8.518 7.188 5.511 1.00 0.70 O ATOM 600 CB ARG A 41 -8.986 10.387 5.000 1.00 0.79 C ATOM 601 CG ARG A 41 -8.539 11.100 6.266 1.00 0.95 C ATOM 602 CD ARG A 41 -9.583 12.092 6.752 1.00 1.52 C ATOM 603 NE ARG A 41 -9.849 13.138 5.769 1.00 2.11 N ATOM 604 CZ ARG A 41 -10.717 14.127 5.962 1.00 2.49 C ATOM 605 NH1 ARG A 41 -11.393 14.204 7.102 1.00 2.37 N ATOM 606 NH2 ARG A 41 -10.909 15.039 5.021 1.00 3.51 N ATOM 0 H ARG A 41 -9.459 8.475 3.270 1.00 0.70 H new ATOM 0 HA ARG A 41 -7.030 9.763 4.351 1.00 0.67 H new ATOM 0 HB2 ARG A 41 -9.119 11.123 4.207 1.00 0.79 H new ATOM 0 HB3 ARG A 41 -9.959 9.928 5.176 1.00 0.79 H new ATOM 0 HG2 ARG A 41 -8.344 10.366 7.047 1.00 0.95 H new ATOM 0 HG3 ARG A 41 -7.601 11.622 6.078 1.00 0.95 H new ATOM 0 HD2 ARG A 41 -10.509 11.562 6.976 1.00 1.52 H new ATOM 0 HD3 ARG A 41 -9.244 12.548 7.682 1.00 1.52 H new ATOM 0 HE ARG A 41 -9.341 13.109 4.885 1.00 2.11 H new ATOM 0 HH11 ARG A 41 -11.247 13.505 7.830 1.00 2.37 H new ATOM 0 HH12 ARG A 41 -12.059 14.963 7.250 1.00 2.37 H new ATOM 0 HH21 ARG A 41 -10.390 14.984 4.144 1.00 3.51 H new ATOM 0 HH22 ARG A 41 -11.576 15.796 5.173 1.00 3.51 H new ATOM 620 N THR A 42 -7.052 8.499 6.603 1.00 0.80 N ATOM 621 CA THR A 42 -6.854 7.549 7.690 1.00 0.97 C ATOM 622 C THR A 42 -6.535 8.275 8.998 1.00 1.03 C ATOM 623 O THR A 42 -5.683 9.169 9.035 1.00 1.12 O ATOM 624 CB THR A 42 -5.735 6.566 7.344 1.00 1.17 C ATOM 625 OG1 THR A 42 -6.004 5.921 6.116 1.00 1.44 O ATOM 626 CG2 THR A 42 -5.532 5.490 8.387 1.00 1.32 C ATOM 0 H THR A 42 -6.513 9.360 6.690 1.00 0.80 H new ATOM 0 HA THR A 42 -7.781 6.992 7.825 1.00 0.97 H new ATOM 0 HB THR A 42 -4.829 7.170 7.290 1.00 1.17 H new ATOM 0 HG1 THR A 42 -6.805 5.364 6.208 1.00 1.44 H new ATOM 0 HG21 THR A 42 -4.723 4.829 8.075 1.00 1.32 H new ATOM 0 HG22 THR A 42 -5.277 5.951 9.341 1.00 1.32 H new ATOM 0 HG23 THR A 42 -6.450 4.913 8.498 1.00 1.32 H new ATOM 634 N PRO A 43 -7.229 7.905 10.092 1.00 1.12 N ATOM 635 CA PRO A 43 -7.034 8.516 11.401 1.00 1.31 C ATOM 636 C PRO A 43 -5.985 7.782 12.239 1.00 1.50 C ATOM 637 O PRO A 43 -6.028 6.558 12.365 1.00 1.71 O ATOM 638 CB PRO A 43 -8.415 8.371 12.031 1.00 1.48 C ATOM 639 CG PRO A 43 -8.960 7.096 11.469 1.00 1.38 C ATOM 640 CD PRO A 43 -8.274 6.864 10.140 1.00 1.15 C ATOM 0 HA PRO A 43 -6.669 9.541 11.336 1.00 1.31 H new ATOM 0 HB2 PRO A 43 -8.351 8.329 13.118 1.00 1.48 H new ATOM 0 HB3 PRO A 43 -9.054 9.218 11.782 1.00 1.48 H new ATOM 0 HG2 PRO A 43 -8.773 6.265 12.149 1.00 1.38 H new ATOM 0 HG3 PRO A 43 -10.040 7.164 11.338 1.00 1.38 H new ATOM 0 HD2 PRO A 43 -7.844 5.864 10.082 1.00 1.15 H new ATOM 0 HD3 PRO A 43 -8.972 6.960 9.308 1.00 1.15 H new ATOM 648 N PRO A 44 -5.025 8.522 12.828 1.00 1.55 N ATOM 649 CA PRO A 44 -3.972 7.942 13.654 1.00 1.80 C ATOM 650 C PRO A 44 -4.449 7.675 15.076 1.00 2.15 C ATOM 651 O PRO A 44 -4.649 8.606 15.858 1.00 2.77 O ATOM 652 CB PRO A 44 -2.872 9.017 13.658 1.00 1.80 C ATOM 653 CG PRO A 44 -3.397 10.157 12.842 1.00 1.81 C ATOM 654 CD PRO A 44 -4.884 9.973 12.747 1.00 1.54 C ATOM 0 HA PRO A 44 -3.638 6.979 13.268 1.00 1.80 H new ATOM 0 HB2 PRO A 44 -2.646 9.338 14.675 1.00 1.80 H new ATOM 0 HB3 PRO A 44 -1.947 8.628 13.233 1.00 1.80 H new ATOM 0 HG2 PRO A 44 -3.155 11.111 13.310 1.00 1.81 H new ATOM 0 HG3 PRO A 44 -2.944 10.164 11.851 1.00 1.81 H new ATOM 0 HD2 PRO A 44 -5.409 10.478 13.558 1.00 1.54 H new ATOM 0 HD3 PRO A 44 -5.284 10.369 11.813 1.00 1.54 H new ATOM 662 N LEU A 45 -4.633 6.404 15.408 1.00 2.16 N ATOM 663 CA LEU A 45 -5.091 6.022 16.737 1.00 2.52 C ATOM 664 C LEU A 45 -3.981 5.330 17.524 1.00 2.69 C ATOM 665 O LEU A 45 -4.149 4.202 17.990 1.00 3.09 O ATOM 666 CB LEU A 45 -6.313 5.105 16.632 1.00 2.75 C ATOM 667 CG LEU A 45 -7.525 5.716 15.922 1.00 3.05 C ATOM 668 CD1 LEU A 45 -8.652 4.701 15.826 1.00 3.66 C ATOM 669 CD2 LEU A 45 -7.996 6.968 16.647 1.00 3.32 C ATOM 0 H LEU A 45 -4.472 5.620 14.775 1.00 2.16 H new ATOM 0 HA LEU A 45 -5.371 6.930 17.272 1.00 2.52 H new ATOM 0 HB2 LEU A 45 -6.022 4.197 16.104 1.00 2.75 H new ATOM 0 HB3 LEU A 45 -6.612 4.808 17.637 1.00 2.75 H new ATOM 0 HG LEU A 45 -7.226 5.997 14.912 1.00 3.05 H new ATOM 0 HD11 LEU A 45 -9.505 5.152 15.319 1.00 3.66 H new ATOM 0 HD12 LEU A 45 -8.312 3.832 15.262 1.00 3.66 H new ATOM 0 HD13 LEU A 45 -8.948 4.390 16.828 1.00 3.66 H new ATOM 0 HD21 LEU A 45 -8.858 7.387 16.127 1.00 3.32 H new ATOM 0 HD22 LEU A 45 -8.277 6.713 17.669 1.00 3.32 H new ATOM 0 HD23 LEU A 45 -7.191 7.702 16.665 1.00 3.32 H new ATOM 681 N GLY A 46 -2.848 6.011 17.674 1.00 2.52 N ATOM 682 CA GLY A 46 -1.737 5.434 18.412 1.00 2.73 C ATOM 683 C GLY A 46 -0.393 5.973 17.963 1.00 2.68 C ATOM 684 O GLY A 46 0.279 6.670 18.723 1.00 2.81 O ATOM 0 H GLY A 46 -2.680 6.945 17.301 1.00 2.52 H new ATOM 0 HA2 GLY A 46 -1.868 5.636 19.475 1.00 2.73 H new ATOM 0 HA3 GLY A 46 -1.749 4.351 18.290 1.00 2.73 H new ATOM 688 N PRO A 47 0.034 5.664 16.726 1.00 2.59 N ATOM 689 CA PRO A 47 1.317 6.133 16.196 1.00 2.65 C ATOM 690 C PRO A 47 1.429 7.653 16.242 1.00 2.60 C ATOM 691 O PRO A 47 2.524 8.202 16.368 1.00 2.86 O ATOM 692 CB PRO A 47 1.316 5.639 14.745 1.00 2.59 C ATOM 693 CG PRO A 47 0.352 4.504 14.727 1.00 2.63 C ATOM 694 CD PRO A 47 -0.698 4.838 15.747 1.00 2.54 C ATOM 0 HA PRO A 47 2.160 5.761 16.778 1.00 2.65 H new ATOM 0 HB2 PRO A 47 1.009 6.429 14.059 1.00 2.59 H new ATOM 0 HB3 PRO A 47 2.311 5.317 14.437 1.00 2.59 H new ATOM 0 HG2 PRO A 47 -0.089 4.382 13.738 1.00 2.63 H new ATOM 0 HG3 PRO A 47 0.849 3.565 14.972 1.00 2.63 H new ATOM 0 HD2 PRO A 47 -1.531 5.383 15.303 1.00 2.54 H new ATOM 0 HD3 PRO A 47 -1.112 3.941 16.207 1.00 2.54 H new ATOM 702 N GLN A 48 0.286 8.323 16.135 1.00 2.39 N ATOM 703 CA GLN A 48 0.245 9.778 16.162 1.00 2.50 C ATOM 704 C GLN A 48 -0.993 10.275 16.897 1.00 2.40 C ATOM 705 O GLN A 48 -1.601 9.547 17.683 1.00 2.57 O ATOM 706 CB GLN A 48 0.254 10.335 14.736 1.00 2.56 C ATOM 707 CG GLN A 48 1.450 9.886 13.912 1.00 2.73 C ATOM 708 CD GLN A 48 1.447 10.449 12.502 1.00 2.73 C ATOM 709 OE1 GLN A 48 0.514 11.356 12.219 1.00 3.26 O flip ATOM 710 NE2 GLN A 48 2.279 10.079 11.676 1.00 2.45 N flip ATOM 0 H GLN A 48 -0.626 7.879 16.029 1.00 2.39 H new ATOM 0 HA GLN A 48 1.130 10.129 16.693 1.00 2.50 H new ATOM 0 HB2 GLN A 48 -0.661 10.028 14.230 1.00 2.56 H new ATOM 0 HB3 GLN A 48 0.243 11.424 14.781 1.00 2.56 H new ATOM 0 HG2 GLN A 48 2.367 10.191 14.417 1.00 2.73 H new ATOM 0 HG3 GLN A 48 1.461 8.797 13.862 1.00 2.73 H new ATOM 0 HE21 GLN A 48 2.978 9.382 11.933 1.00 2.45 H new ATOM 0 HE22 GLN A 48 2.271 10.469 10.734 1.00 2.45 H new ATOM 719 N ASP A 49 -1.360 11.516 16.618 1.00 2.45 N ATOM 720 CA ASP A 49 -2.524 12.151 17.219 1.00 2.47 C ATOM 721 C ASP A 49 -2.995 13.259 16.296 1.00 2.38 C ATOM 722 O ASP A 49 -3.859 14.063 16.646 1.00 2.57 O ATOM 723 CB ASP A 49 -2.183 12.723 18.598 1.00 2.79 C ATOM 724 CG ASP A 49 -1.782 11.653 19.594 1.00 2.83 C ATOM 725 OD1 ASP A 49 -2.612 10.763 19.875 1.00 3.28 O ATOM 726 OD2 ASP A 49 -0.638 11.704 20.092 1.00 3.02 O ATOM 0 H ASP A 49 -0.856 12.115 15.964 1.00 2.45 H new ATOM 0 HA ASP A 49 -3.313 11.411 17.353 1.00 2.47 H new ATOM 0 HB2 ASP A 49 -1.370 13.442 18.497 1.00 2.79 H new ATOM 0 HB3 ASP A 49 -3.045 13.268 18.984 1.00 2.79 H new ATOM 731 N GLN A 50 -2.402 13.284 15.109 1.00 2.26 N ATOM 732 CA GLN A 50 -2.724 14.282 14.102 1.00 2.39 C ATOM 733 C GLN A 50 -3.308 13.606 12.867 1.00 2.01 C ATOM 734 O GLN A 50 -2.573 13.023 12.070 1.00 2.19 O ATOM 735 CB GLN A 50 -1.468 15.071 13.717 1.00 3.08 C ATOM 736 CG GLN A 50 -0.548 15.384 14.887 1.00 3.45 C ATOM 737 CD GLN A 50 0.285 14.192 15.317 1.00 3.73 C ATOM 738 OE1 GLN A 50 0.164 13.813 16.584 1.00 4.34 O flip ATOM 739 NE2 GLN A 50 1.031 13.622 14.520 1.00 3.74 N flip ATOM 0 H GLN A 50 -1.688 12.616 14.820 1.00 2.26 H new ATOM 0 HA GLN A 50 -3.461 14.971 14.515 1.00 2.39 H new ATOM 0 HB2 GLN A 50 -0.910 14.504 12.972 1.00 3.08 H new ATOM 0 HB3 GLN A 50 -1.770 16.006 13.246 1.00 3.08 H new ATOM 0 HG2 GLN A 50 0.115 16.204 14.612 1.00 3.45 H new ATOM 0 HG3 GLN A 50 -1.146 15.727 15.731 1.00 3.45 H new ATOM 0 HE21 GLN A 50 1.092 13.948 13.556 1.00 3.74 H new ATOM 0 HE22 GLN A 50 1.588 12.824 14.824 1.00 3.74 H new ATOM 748 N PRO A 51 -4.638 13.664 12.690 1.00 1.98 N ATOM 749 CA PRO A 51 -5.303 13.038 11.543 1.00 2.00 C ATOM 750 C PRO A 51 -4.788 13.575 10.213 1.00 1.82 C ATOM 751 O PRO A 51 -5.276 14.590 9.714 1.00 2.47 O ATOM 752 CB PRO A 51 -6.784 13.389 11.736 1.00 2.71 C ATOM 753 CG PRO A 51 -6.798 14.521 12.705 1.00 2.89 C ATOM 754 CD PRO A 51 -5.598 14.327 13.587 1.00 2.51 C ATOM 0 HA PRO A 51 -5.118 11.964 11.505 1.00 2.00 H new ATOM 0 HB2 PRO A 51 -7.247 13.674 10.791 1.00 2.71 H new ATOM 0 HB3 PRO A 51 -7.343 12.536 12.120 1.00 2.71 H new ATOM 0 HG2 PRO A 51 -6.750 15.479 12.187 1.00 2.89 H new ATOM 0 HG3 PRO A 51 -7.717 14.521 13.291 1.00 2.89 H new ATOM 0 HD2 PRO A 51 -5.213 15.276 13.961 1.00 2.51 H new ATOM 0 HD3 PRO A 51 -5.830 13.712 14.457 1.00 2.51 H new ATOM 762 N ASP A 52 -3.796 12.892 9.646 1.00 1.32 N ATOM 763 CA ASP A 52 -3.215 13.311 8.376 1.00 1.52 C ATOM 764 C ASP A 52 -2.677 12.123 7.577 1.00 1.28 C ATOM 765 O ASP A 52 -1.816 12.296 6.714 1.00 2.07 O ATOM 766 CB ASP A 52 -2.086 14.315 8.617 1.00 2.12 C ATOM 767 CG ASP A 52 -2.562 15.576 9.315 1.00 2.77 C ATOM 768 OD1 ASP A 52 -3.418 16.283 8.742 1.00 3.33 O ATOM 769 OD2 ASP A 52 -2.079 15.855 10.432 1.00 3.26 O ATOM 0 H ASP A 52 -3.380 12.050 10.045 1.00 1.32 H new ATOM 0 HA ASP A 52 -4.009 13.780 7.795 1.00 1.52 H new ATOM 0 HB2 ASP A 52 -1.308 13.844 9.218 1.00 2.12 H new ATOM 0 HB3 ASP A 52 -1.633 14.582 7.662 1.00 2.12 H new ATOM 774 N TYR A 53 -3.184 10.920 7.849 1.00 0.84 N ATOM 775 CA TYR A 53 -2.729 9.741 7.123 1.00 1.19 C ATOM 776 C TYR A 53 -3.349 9.685 5.737 1.00 0.96 C ATOM 777 O TYR A 53 -4.528 9.360 5.580 1.00 1.43 O ATOM 778 CB TYR A 53 -3.049 8.456 7.888 1.00 2.08 C ATOM 779 CG TYR A 53 -2.078 8.137 9.000 1.00 3.12 C ATOM 780 CD1 TYR A 53 -1.725 9.093 9.945 1.00 3.74 C ATOM 781 CD2 TYR A 53 -1.512 6.873 9.103 1.00 3.88 C ATOM 782 CE1 TYR A 53 -0.836 8.795 10.959 1.00 4.86 C ATOM 783 CE2 TYR A 53 -0.624 6.568 10.116 1.00 5.03 C ATOM 784 CZ TYR A 53 -0.289 7.532 11.041 1.00 5.45 C ATOM 785 OH TYR A 53 0.594 7.233 12.052 1.00 6.66 O ATOM 0 H TYR A 53 -3.898 10.741 8.555 1.00 0.84 H new ATOM 0 HA TYR A 53 -1.647 9.820 7.023 1.00 1.19 H new ATOM 0 HB2 TYR A 53 -4.051 8.537 8.309 1.00 2.08 H new ATOM 0 HB3 TYR A 53 -3.065 7.623 7.185 1.00 2.08 H new ATOM 0 HD1 TYR A 53 -2.152 10.083 9.886 1.00 3.74 H new ATOM 0 HD2 TYR A 53 -1.771 6.115 8.378 1.00 3.88 H new ATOM 0 HE1 TYR A 53 -0.570 9.549 11.685 1.00 4.86 H new ATOM 0 HE2 TYR A 53 -0.195 5.579 10.182 1.00 5.03 H new ATOM 0 HH TYR A 53 1.319 6.676 11.699 1.00 6.66 H new ATOM 795 N LEU A 54 -2.541 9.996 4.734 1.00 0.84 N ATOM 796 CA LEU A 54 -2.989 9.974 3.351 1.00 0.76 C ATOM 797 C LEU A 54 -2.379 8.774 2.643 1.00 0.76 C ATOM 798 O LEU A 54 -1.166 8.567 2.690 1.00 0.98 O ATOM 799 CB LEU A 54 -2.610 11.297 2.665 1.00 0.97 C ATOM 800 CG LEU A 54 -2.753 11.354 1.133 1.00 1.15 C ATOM 801 CD1 LEU A 54 -1.589 10.660 0.445 1.00 1.60 C ATOM 802 CD2 LEU A 54 -4.073 10.744 0.685 1.00 1.60 C ATOM 0 H LEU A 54 -1.565 10.268 4.855 1.00 0.84 H new ATOM 0 HA LEU A 54 -4.074 9.876 3.306 1.00 0.76 H new ATOM 0 HB2 LEU A 54 -3.225 12.089 3.093 1.00 0.97 H new ATOM 0 HB3 LEU A 54 -1.575 11.526 2.918 1.00 0.97 H new ATOM 0 HG LEU A 54 -2.743 12.404 0.842 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -1.719 10.717 -0.636 1.00 1.60 H new ATOM 0 HD12 LEU A 54 -0.656 11.150 0.725 1.00 1.60 H new ATOM 0 HD13 LEU A 54 -1.556 9.615 0.752 1.00 1.60 H new ATOM 0 HD21 LEU A 54 -4.148 10.797 -0.401 1.00 1.60 H new ATOM 0 HD22 LEU A 54 -4.118 9.702 1.001 1.00 1.60 H new ATOM 0 HD23 LEU A 54 -4.899 11.295 1.133 1.00 1.60 H new ATOM 814 N ASN A 55 -3.226 7.968 2.015 1.00 0.60 N ATOM 815 CA ASN A 55 -2.752 6.772 1.334 1.00 0.66 C ATOM 816 C ASN A 55 -3.438 6.595 -0.015 1.00 0.50 C ATOM 817 O ASN A 55 -4.420 7.276 -0.321 1.00 0.56 O ATOM 818 CB ASN A 55 -3.014 5.542 2.199 1.00 0.87 C ATOM 819 CG ASN A 55 -2.650 5.741 3.659 1.00 1.51 C ATOM 820 OD1 ASN A 55 -3.110 6.682 4.307 1.00 2.21 O ATOM 821 ND2 ASN A 55 -1.841 4.837 4.196 1.00 2.21 N ATOM 0 H ASN A 55 -4.233 8.119 1.963 1.00 0.60 H new ATOM 0 HA ASN A 55 -1.681 6.885 1.165 1.00 0.66 H new ATOM 0 HB2 ASN A 55 -4.069 5.276 2.129 1.00 0.87 H new ATOM 0 HB3 ASN A 55 -2.446 4.701 1.802 1.00 0.87 H new ATOM 0 HD21 ASN A 55 -1.579 4.907 5.179 1.00 2.21 H new ATOM 0 HD22 ASN A 55 -1.481 4.072 3.626 1.00 2.21 H new ATOM 828 N ALA A 56 -2.922 5.666 -0.813 1.00 0.50 N ATOM 829 CA ALA A 56 -3.485 5.389 -2.128 1.00 0.45 C ATOM 830 C ALA A 56 -3.300 3.924 -2.512 1.00 0.45 C ATOM 831 O ALA A 56 -2.644 3.162 -1.801 1.00 0.61 O ATOM 832 CB ALA A 56 -2.850 6.293 -3.173 1.00 0.58 C ATOM 0 H ALA A 56 -2.114 5.092 -0.571 1.00 0.50 H new ATOM 0 HA ALA A 56 -4.555 5.592 -2.086 1.00 0.45 H new ATOM 0 HB1 ALA A 56 -3.279 6.076 -4.151 1.00 0.58 H new ATOM 0 HB2 ALA A 56 -3.040 7.335 -2.916 1.00 0.58 H new ATOM 0 HB3 ALA A 56 -1.775 6.117 -3.202 1.00 0.58 H new ATOM 838 N ALA A 57 -3.879 3.543 -3.647 1.00 0.43 N ATOM 839 CA ALA A 57 -3.777 2.174 -4.137 1.00 0.47 C ATOM 840 C ALA A 57 -3.003 2.130 -5.437 1.00 0.40 C ATOM 841 O ALA A 57 -3.245 2.928 -6.343 1.00 0.44 O ATOM 842 CB ALA A 57 -5.156 1.565 -4.325 1.00 0.59 C ATOM 0 H ALA A 57 -4.424 4.165 -4.244 1.00 0.43 H new ATOM 0 HA ALA A 57 -3.240 1.587 -3.392 1.00 0.47 H new ATOM 0 HB1 ALA A 57 -5.056 0.543 -4.691 1.00 0.59 H new ATOM 0 HB2 ALA A 57 -5.684 1.558 -3.371 1.00 0.59 H new ATOM 0 HB3 ALA A 57 -5.719 2.156 -5.047 1.00 0.59 H new ATOM 848 N VAL A 58 -2.068 1.197 -5.522 1.00 0.39 N ATOM 849 CA VAL A 58 -1.258 1.054 -6.707 1.00 0.39 C ATOM 850 C VAL A 58 -1.242 -0.385 -7.188 1.00 0.40 C ATOM 851 O VAL A 58 -1.164 -1.325 -6.400 1.00 0.60 O ATOM 852 CB VAL A 58 0.187 1.527 -6.460 1.00 0.49 C ATOM 853 CG1 VAL A 58 0.789 0.815 -5.264 1.00 1.11 C ATOM 854 CG2 VAL A 58 1.037 1.308 -7.698 1.00 1.22 C ATOM 0 H VAL A 58 -1.856 0.530 -4.780 1.00 0.39 H new ATOM 0 HA VAL A 58 -1.706 1.682 -7.477 1.00 0.39 H new ATOM 0 HB VAL A 58 0.165 2.595 -6.243 1.00 0.49 H new ATOM 0 HG11 VAL A 58 1.810 1.165 -5.108 1.00 1.11 H new ATOM 0 HG12 VAL A 58 0.193 1.027 -4.376 1.00 1.11 H new ATOM 0 HG13 VAL A 58 0.797 -0.260 -5.447 1.00 1.11 H new ATOM 0 HG21 VAL A 58 2.055 1.648 -7.505 1.00 1.22 H new ATOM 0 HG22 VAL A 58 1.050 0.247 -7.948 1.00 1.22 H new ATOM 0 HG23 VAL A 58 0.618 1.872 -8.531 1.00 1.22 H new ATOM 864 N ALA A 59 -1.298 -0.533 -8.496 1.00 0.34 N ATOM 865 CA ALA A 59 -1.271 -1.837 -9.131 1.00 0.36 C ATOM 866 C ALA A 59 -0.246 -1.813 -10.249 1.00 0.37 C ATOM 867 O ALA A 59 -0.539 -1.401 -11.374 1.00 0.43 O ATOM 868 CB ALA A 59 -2.649 -2.206 -9.660 1.00 0.44 C ATOM 0 H ALA A 59 -1.364 0.247 -9.150 1.00 0.34 H new ATOM 0 HA ALA A 59 -0.990 -2.596 -8.401 1.00 0.36 H new ATOM 0 HB1 ALA A 59 -2.607 -3.187 -10.132 1.00 0.44 H new ATOM 0 HB2 ALA A 59 -3.361 -2.231 -8.835 1.00 0.44 H new ATOM 0 HB3 ALA A 59 -2.968 -1.464 -10.392 1.00 0.44 H new ATOM 874 N LEU A 60 0.966 -2.221 -9.912 1.00 0.37 N ATOM 875 CA LEU A 60 2.069 -2.221 -10.861 1.00 0.45 C ATOM 876 C LEU A 60 2.497 -3.631 -11.243 1.00 0.39 C ATOM 877 O LEU A 60 2.470 -4.549 -10.424 1.00 0.38 O ATOM 878 CB LEU A 60 3.244 -1.435 -10.263 1.00 0.56 C ATOM 879 CG LEU A 60 4.637 -1.800 -10.781 1.00 0.48 C ATOM 880 CD1 LEU A 60 5.582 -0.622 -10.620 1.00 0.44 C ATOM 881 CD2 LEU A 60 5.179 -3.008 -10.031 1.00 0.98 C ATOM 0 H LEU A 60 1.213 -2.559 -8.982 1.00 0.37 H new ATOM 0 HA LEU A 60 1.734 -1.740 -11.780 1.00 0.45 H new ATOM 0 HB2 LEU A 60 3.077 -0.374 -10.450 1.00 0.56 H new ATOM 0 HB3 LEU A 60 3.234 -1.574 -9.182 1.00 0.56 H new ATOM 0 HG LEU A 60 4.560 -2.049 -11.839 1.00 0.48 H new ATOM 0 HD11 LEU A 60 6.570 -0.894 -10.992 1.00 0.44 H new ATOM 0 HD12 LEU A 60 5.203 0.229 -11.186 1.00 0.44 H new ATOM 0 HD13 LEU A 60 5.653 -0.354 -9.566 1.00 0.44 H new ATOM 0 HD21 LEU A 60 6.170 -3.257 -10.410 1.00 0.98 H new ATOM 0 HD22 LEU A 60 5.244 -2.777 -8.968 1.00 0.98 H new ATOM 0 HD23 LEU A 60 4.511 -3.857 -10.178 1.00 0.98 H new ATOM 893 N GLU A 61 2.914 -3.783 -12.498 1.00 0.39 N ATOM 894 CA GLU A 61 3.376 -5.068 -13.008 1.00 0.38 C ATOM 895 C GLU A 61 4.847 -5.263 -12.671 1.00 0.36 C ATOM 896 O GLU A 61 5.718 -4.662 -13.301 1.00 0.38 O ATOM 897 CB GLU A 61 3.182 -5.148 -14.522 1.00 0.44 C ATOM 898 CG GLU A 61 1.746 -4.938 -14.959 1.00 1.08 C ATOM 899 CD GLU A 61 1.569 -5.080 -16.459 1.00 1.06 C ATOM 900 OE1 GLU A 61 2.202 -4.308 -17.208 1.00 1.24 O ATOM 901 OE2 GLU A 61 0.796 -5.965 -16.885 1.00 1.39 O ATOM 0 H GLU A 61 2.941 -3.027 -13.182 1.00 0.39 H new ATOM 0 HA GLU A 61 2.788 -5.856 -12.537 1.00 0.38 H new ATOM 0 HB2 GLU A 61 3.813 -4.399 -15.001 1.00 0.44 H new ATOM 0 HB3 GLU A 61 3.522 -6.123 -14.873 1.00 0.44 H new ATOM 0 HG2 GLU A 61 1.106 -5.659 -14.451 1.00 1.08 H new ATOM 0 HG3 GLU A 61 1.417 -3.946 -14.650 1.00 1.08 H new ATOM 908 N THR A 62 5.122 -6.095 -11.676 1.00 0.39 N ATOM 909 CA THR A 62 6.491 -6.345 -11.265 1.00 0.43 C ATOM 910 C THR A 62 7.015 -7.658 -11.822 1.00 0.39 C ATOM 911 O THR A 62 6.257 -8.522 -12.264 1.00 0.43 O ATOM 912 CB THR A 62 6.603 -6.355 -9.739 1.00 0.54 C ATOM 913 OG1 THR A 62 7.900 -6.754 -9.334 1.00 1.47 O ATOM 914 CG2 THR A 62 5.608 -7.278 -9.070 1.00 1.02 C ATOM 0 H THR A 62 4.417 -6.605 -11.143 1.00 0.39 H new ATOM 0 HA THR A 62 7.100 -5.536 -11.668 1.00 0.43 H new ATOM 0 HB THR A 62 6.389 -5.332 -9.428 1.00 0.54 H new ATOM 0 HG1 THR A 62 7.846 -7.211 -8.469 1.00 1.47 H new ATOM 0 HG21 THR A 62 5.743 -7.236 -7.989 1.00 1.02 H new ATOM 0 HG22 THR A 62 4.595 -6.965 -9.322 1.00 1.02 H new ATOM 0 HG23 THR A 62 5.769 -8.299 -9.417 1.00 1.02 H new ATOM 922 N SER A 63 8.327 -7.799 -11.749 1.00 0.40 N ATOM 923 CA SER A 63 9.018 -9.002 -12.189 1.00 0.44 C ATOM 924 C SER A 63 9.814 -9.503 -11.006 1.00 0.44 C ATOM 925 O SER A 63 10.199 -10.669 -10.916 1.00 0.64 O ATOM 926 CB SER A 63 9.940 -8.707 -13.372 1.00 0.56 C ATOM 927 OG SER A 63 10.942 -7.769 -13.018 1.00 1.23 O ATOM 0 H SER A 63 8.948 -7.079 -11.381 1.00 0.40 H new ATOM 0 HA SER A 63 8.304 -9.752 -12.528 1.00 0.44 H new ATOM 0 HB2 SER A 63 10.407 -9.631 -13.712 1.00 0.56 H new ATOM 0 HB3 SER A 63 9.354 -8.320 -14.206 1.00 0.56 H new ATOM 0 HG SER A 63 11.674 -8.230 -12.558 1.00 1.23 H new ATOM 933 N LEU A 64 10.009 -8.575 -10.083 1.00 0.39 N ATOM 934 CA LEU A 64 10.704 -8.818 -8.843 1.00 0.38 C ATOM 935 C LEU A 64 9.680 -8.996 -7.738 1.00 0.35 C ATOM 936 O LEU A 64 9.124 -8.012 -7.249 1.00 0.39 O ATOM 937 CB LEU A 64 11.618 -7.635 -8.517 1.00 0.42 C ATOM 938 CG LEU A 64 11.134 -6.275 -9.031 1.00 0.50 C ATOM 939 CD1 LEU A 64 11.704 -5.153 -8.177 1.00 0.78 C ATOM 940 CD2 LEU A 64 11.539 -6.081 -10.485 1.00 0.84 C ATOM 0 H LEU A 64 9.680 -7.615 -10.183 1.00 0.39 H new ATOM 0 HA LEU A 64 11.314 -9.717 -8.932 1.00 0.38 H new ATOM 0 HB2 LEU A 64 11.736 -7.575 -7.435 1.00 0.42 H new ATOM 0 HB3 LEU A 64 12.605 -7.833 -8.935 1.00 0.42 H new ATOM 0 HG LEU A 64 10.046 -6.250 -8.964 1.00 0.50 H new ATOM 0 HD11 LEU A 64 11.351 -4.193 -8.555 1.00 0.78 H new ATOM 0 HD12 LEU A 64 11.377 -5.279 -7.145 1.00 0.78 H new ATOM 0 HD13 LEU A 64 12.793 -5.181 -8.219 1.00 0.78 H new ATOM 0 HD21 LEU A 64 11.187 -5.110 -10.834 1.00 0.84 H new ATOM 0 HD22 LEU A 64 12.625 -6.125 -10.569 1.00 0.84 H new ATOM 0 HD23 LEU A 64 11.095 -6.868 -11.094 1.00 0.84 H new ATOM 952 N ALA A 65 9.420 -10.249 -7.366 1.00 0.38 N ATOM 953 CA ALA A 65 8.442 -10.558 -6.327 1.00 0.42 C ATOM 954 C ALA A 65 8.390 -9.452 -5.279 1.00 0.39 C ATOM 955 O ALA A 65 9.422 -8.887 -4.926 1.00 0.38 O ATOM 956 CB ALA A 65 8.768 -11.893 -5.674 1.00 0.52 C ATOM 0 H ALA A 65 9.875 -11.067 -7.771 1.00 0.38 H new ATOM 0 HA ALA A 65 7.460 -10.627 -6.795 1.00 0.42 H new ATOM 0 HB1 ALA A 65 8.030 -12.110 -4.901 1.00 0.52 H new ATOM 0 HB2 ALA A 65 8.747 -12.681 -6.427 1.00 0.52 H new ATOM 0 HB3 ALA A 65 9.760 -11.846 -5.225 1.00 0.52 H new ATOM 962 N PRO A 66 7.181 -9.115 -4.785 1.00 0.44 N ATOM 963 CA PRO A 66 6.978 -8.064 -3.786 1.00 0.47 C ATOM 964 C PRO A 66 8.121 -7.953 -2.782 1.00 0.45 C ATOM 965 O PRO A 66 8.349 -6.888 -2.219 1.00 0.49 O ATOM 966 CB PRO A 66 5.696 -8.517 -3.106 1.00 0.55 C ATOM 967 CG PRO A 66 4.901 -9.119 -4.213 1.00 0.57 C ATOM 968 CD PRO A 66 5.898 -9.724 -5.180 1.00 0.50 C ATOM 0 HA PRO A 66 6.931 -7.070 -4.232 1.00 0.47 H new ATOM 0 HB2 PRO A 66 5.896 -9.242 -2.317 1.00 0.55 H new ATOM 0 HB3 PRO A 66 5.171 -7.681 -2.645 1.00 0.55 H new ATOM 0 HG2 PRO A 66 4.220 -9.880 -3.832 1.00 0.57 H new ATOM 0 HG3 PRO A 66 4.291 -8.363 -4.708 1.00 0.57 H new ATOM 0 HD2 PRO A 66 5.928 -10.810 -5.097 1.00 0.50 H new ATOM 0 HD3 PRO A 66 5.645 -9.490 -6.214 1.00 0.50 H new ATOM 976 N GLU A 67 8.845 -9.047 -2.581 1.00 0.45 N ATOM 977 CA GLU A 67 9.976 -9.061 -1.669 1.00 0.49 C ATOM 978 C GLU A 67 11.022 -8.042 -2.120 1.00 0.44 C ATOM 979 O GLU A 67 11.440 -7.183 -1.348 1.00 0.47 O ATOM 980 CB GLU A 67 10.585 -10.461 -1.622 1.00 0.52 C ATOM 981 CG GLU A 67 9.566 -11.546 -1.308 1.00 0.71 C ATOM 982 CD GLU A 67 10.160 -12.940 -1.371 1.00 0.77 C ATOM 983 OE1 GLU A 67 10.664 -13.322 -2.448 1.00 1.20 O ATOM 984 OE2 GLU A 67 10.124 -13.647 -0.343 1.00 1.06 O ATOM 0 H GLU A 67 8.666 -9.939 -3.041 1.00 0.45 H new ATOM 0 HA GLU A 67 9.635 -8.792 -0.669 1.00 0.49 H new ATOM 0 HB2 GLU A 67 11.054 -10.679 -2.581 1.00 0.52 H new ATOM 0 HB3 GLU A 67 11.373 -10.483 -0.869 1.00 0.52 H new ATOM 0 HG2 GLU A 67 9.154 -11.375 -0.313 1.00 0.71 H new ATOM 0 HG3 GLU A 67 8.737 -11.476 -2.013 1.00 0.71 H new ATOM 991 N GLU A 68 11.419 -8.136 -3.389 1.00 0.40 N ATOM 992 CA GLU A 68 12.394 -7.218 -3.969 1.00 0.39 C ATOM 993 C GLU A 68 11.771 -5.849 -4.164 1.00 0.35 C ATOM 994 O GLU A 68 12.351 -4.830 -3.795 1.00 0.40 O ATOM 995 CB GLU A 68 12.878 -7.753 -5.311 1.00 0.41 C ATOM 996 CG GLU A 68 13.488 -9.132 -5.215 1.00 0.97 C ATOM 997 CD GLU A 68 14.801 -9.147 -4.453 1.00 1.52 C ATOM 998 OE1 GLU A 68 14.793 -8.799 -3.254 1.00 1.90 O ATOM 999 OE2 GLU A 68 15.836 -9.507 -5.054 1.00 2.06 O ATOM 0 H GLU A 68 11.076 -8.845 -4.037 1.00 0.40 H new ATOM 0 HA GLU A 68 13.241 -7.132 -3.288 1.00 0.39 H new ATOM 0 HB2 GLU A 68 12.040 -7.781 -6.008 1.00 0.41 H new ATOM 0 HB3 GLU A 68 13.615 -7.065 -5.725 1.00 0.41 H new ATOM 0 HG2 GLU A 68 12.782 -9.802 -4.725 1.00 0.97 H new ATOM 0 HG3 GLU A 68 13.653 -9.521 -6.220 1.00 0.97 H new ATOM 1006 N LEU A 69 10.572 -5.838 -4.734 1.00 0.32 N ATOM 1007 CA LEU A 69 9.854 -4.596 -4.956 1.00 0.33 C ATOM 1008 C LEU A 69 9.670 -3.876 -3.629 1.00 0.34 C ATOM 1009 O LEU A 69 9.578 -2.650 -3.579 1.00 0.44 O ATOM 1010 CB LEU A 69 8.518 -4.877 -5.656 1.00 0.38 C ATOM 1011 CG LEU A 69 7.368 -3.911 -5.333 1.00 0.44 C ATOM 1012 CD1 LEU A 69 6.404 -3.829 -6.506 1.00 0.66 C ATOM 1013 CD2 LEU A 69 6.626 -4.356 -4.078 1.00 0.67 C ATOM 0 H LEU A 69 10.080 -6.674 -5.049 1.00 0.32 H new ATOM 0 HA LEU A 69 10.428 -3.943 -5.613 1.00 0.33 H new ATOM 0 HB2 LEU A 69 8.686 -4.863 -6.733 1.00 0.38 H new ATOM 0 HB3 LEU A 69 8.201 -5.887 -5.396 1.00 0.38 H new ATOM 0 HG LEU A 69 7.792 -2.923 -5.152 1.00 0.44 H new ATOM 0 HD11 LEU A 69 5.594 -3.141 -6.264 1.00 0.66 H new ATOM 0 HD12 LEU A 69 6.934 -3.469 -7.388 1.00 0.66 H new ATOM 0 HD13 LEU A 69 5.992 -4.818 -6.708 1.00 0.66 H new ATOM 0 HD21 LEU A 69 5.816 -3.658 -3.868 1.00 0.67 H new ATOM 0 HD22 LEU A 69 6.215 -5.353 -4.233 1.00 0.67 H new ATOM 0 HD23 LEU A 69 7.316 -4.375 -3.235 1.00 0.67 H new ATOM 1025 N LEU A 70 9.672 -4.651 -2.547 1.00 0.39 N ATOM 1026 CA LEU A 70 9.557 -4.096 -1.208 1.00 0.47 C ATOM 1027 C LEU A 70 10.847 -3.367 -0.876 1.00 0.44 C ATOM 1028 O LEU A 70 10.843 -2.307 -0.252 1.00 0.47 O ATOM 1029 CB LEU A 70 9.316 -5.207 -0.181 1.00 0.62 C ATOM 1030 CG LEU A 70 9.184 -4.737 1.270 1.00 0.99 C ATOM 1031 CD1 LEU A 70 7.869 -4.006 1.469 1.00 1.48 C ATOM 1032 CD2 LEU A 70 9.295 -5.914 2.226 1.00 1.65 C ATOM 0 H LEU A 70 9.752 -5.667 -2.576 1.00 0.39 H new ATOM 0 HA LEU A 70 8.712 -3.409 -1.173 1.00 0.47 H new ATOM 0 HB2 LEU A 70 8.408 -5.743 -0.456 1.00 0.62 H new ATOM 0 HB3 LEU A 70 10.138 -5.920 -0.242 1.00 0.62 H new ATOM 0 HG LEU A 70 9.999 -4.046 1.486 1.00 0.99 H new ATOM 0 HD11 LEU A 70 7.789 -3.677 2.505 1.00 1.48 H new ATOM 0 HD12 LEU A 70 7.831 -3.139 0.809 1.00 1.48 H new ATOM 0 HD13 LEU A 70 7.041 -4.676 1.235 1.00 1.48 H new ATOM 0 HD21 LEU A 70 9.199 -5.560 3.252 1.00 1.65 H new ATOM 0 HD22 LEU A 70 8.502 -6.631 2.014 1.00 1.65 H new ATOM 0 HD23 LEU A 70 10.264 -6.396 2.098 1.00 1.65 H new ATOM 1044 N ASN A 71 11.953 -3.960 -1.316 1.00 0.46 N ATOM 1045 CA ASN A 71 13.277 -3.387 -1.089 1.00 0.50 C ATOM 1046 C ASN A 71 13.387 -1.988 -1.696 1.00 0.41 C ATOM 1047 O ASN A 71 13.742 -1.036 -1.004 1.00 0.44 O ATOM 1048 CB ASN A 71 14.369 -4.284 -1.686 1.00 0.59 C ATOM 1049 CG ASN A 71 14.425 -5.674 -1.069 1.00 0.79 C ATOM 1050 OD1 ASN A 71 13.434 -6.015 -0.252 1.00 1.59 O flip ATOM 1051 ND2 ASN A 71 15.344 -6.444 -1.344 1.00 0.72 N flip ATOM 0 H ASN A 71 11.959 -4.839 -1.833 1.00 0.46 H new ATOM 0 HA ASN A 71 13.418 -3.316 -0.010 1.00 0.50 H new ATOM 0 HB2 ASN A 71 14.202 -4.379 -2.759 1.00 0.59 H new ATOM 0 HB3 ASN A 71 15.336 -3.799 -1.556 1.00 0.59 H new ATOM 0 HD21 ASN A 71 16.087 -6.146 -1.976 1.00 0.72 H new ATOM 0 HD22 ASN A 71 15.363 -7.381 -0.940 1.00 0.72 H new ATOM 1058 N HIS A 72 13.099 -1.876 -2.994 1.00 0.37 N ATOM 1059 CA HIS A 72 13.187 -0.600 -3.700 1.00 0.35 C ATOM 1060 C HIS A 72 12.201 0.433 -3.159 1.00 0.32 C ATOM 1061 O HIS A 72 12.558 1.599 -2.975 1.00 0.35 O ATOM 1062 CB HIS A 72 12.948 -0.824 -5.193 1.00 0.39 C ATOM 1063 CG HIS A 72 14.018 -1.642 -5.842 1.00 0.57 C ATOM 1064 ND1 HIS A 72 15.273 -1.149 -6.133 1.00 1.07 N ATOM 1065 CD2 HIS A 72 14.025 -2.938 -6.235 1.00 0.61 C ATOM 1066 CE1 HIS A 72 16.003 -2.103 -6.679 1.00 1.40 C ATOM 1067 NE2 HIS A 72 15.270 -3.198 -6.752 1.00 1.11 N ATOM 0 H HIS A 72 12.802 -2.658 -3.578 1.00 0.37 H new ATOM 0 HA HIS A 72 14.188 -0.201 -3.538 1.00 0.35 H new ATOM 0 HB2 HIS A 72 11.987 -1.319 -5.331 1.00 0.39 H new ATOM 0 HB3 HIS A 72 12.884 0.142 -5.694 1.00 0.39 H new ATOM 0 HD2 HIS A 72 13.205 -3.636 -6.156 1.00 0.61 H new ATOM 0 HE1 HIS A 72 17.026 -2.004 -7.010 1.00 1.40 H new ATOM 0 HE2 HIS A 72 15.579 -4.093 -7.131 1.00 1.11 H new ATOM 1076 N THR A 73 10.964 0.018 -2.912 1.00 0.34 N ATOM 1077 CA THR A 73 9.955 0.938 -2.400 1.00 0.38 C ATOM 1078 C THR A 73 10.396 1.543 -1.071 1.00 0.36 C ATOM 1079 O THR A 73 10.491 2.764 -0.936 1.00 0.36 O ATOM 1080 CB THR A 73 8.615 0.222 -2.231 1.00 0.47 C ATOM 1081 OG1 THR A 73 8.763 -0.943 -1.440 1.00 0.77 O ATOM 1082 CG2 THR A 73 7.982 -0.183 -3.545 1.00 0.61 C ATOM 0 H THR A 73 10.638 -0.938 -3.056 1.00 0.34 H new ATOM 0 HA THR A 73 9.835 1.744 -3.124 1.00 0.38 H new ATOM 0 HB THR A 73 7.961 0.945 -1.743 1.00 0.47 H new ATOM 0 HG1 THR A 73 9.127 -1.668 -1.990 1.00 0.77 H new ATOM 0 HG21 THR A 73 7.034 -0.686 -3.353 1.00 0.61 H new ATOM 0 HG22 THR A 73 7.805 0.705 -4.152 1.00 0.61 H new ATOM 0 HG23 THR A 73 8.650 -0.860 -4.077 1.00 0.61 H new ATOM 1090 N GLN A 74 10.675 0.681 -0.098 1.00 0.39 N ATOM 1091 CA GLN A 74 11.114 1.125 1.217 1.00 0.42 C ATOM 1092 C GLN A 74 12.518 1.711 1.143 1.00 0.41 C ATOM 1093 O GLN A 74 12.994 2.328 2.093 1.00 0.50 O ATOM 1094 CB GLN A 74 11.091 -0.041 2.207 1.00 0.49 C ATOM 1095 CG GLN A 74 9.752 -0.756 2.273 1.00 1.45 C ATOM 1096 CD GLN A 74 9.720 -1.837 3.336 1.00 1.87 C ATOM 1097 OE1 GLN A 74 10.512 -2.779 3.303 1.00 2.25 O ATOM 1098 NE2 GLN A 74 8.799 -1.707 4.282 1.00 2.54 N ATOM 0 H GLN A 74 10.604 -0.332 -0.198 1.00 0.39 H new ATOM 0 HA GLN A 74 10.428 1.899 1.562 1.00 0.42 H new ATOM 0 HB2 GLN A 74 11.863 -0.758 1.929 1.00 0.49 H new ATOM 0 HB3 GLN A 74 11.344 0.331 3.200 1.00 0.49 H new ATOM 0 HG2 GLN A 74 8.966 -0.029 2.476 1.00 1.45 H new ATOM 0 HG3 GLN A 74 9.533 -1.200 1.302 1.00 1.45 H new ATOM 0 HE21 GLN A 74 8.164 -0.909 4.269 1.00 2.54 H new ATOM 0 HE22 GLN A 74 8.726 -2.405 5.022 1.00 2.54 H new ATOM 1107 N ARG A 75 13.170 1.517 0.003 1.00 0.37 N ATOM 1108 CA ARG A 75 14.516 2.030 -0.205 1.00 0.41 C ATOM 1109 C ARG A 75 14.496 3.552 -0.228 1.00 0.39 C ATOM 1110 O ARG A 75 15.351 4.211 0.366 1.00 0.43 O ATOM 1111 CB ARG A 75 15.087 1.493 -1.520 1.00 0.48 C ATOM 1112 CG ARG A 75 16.552 1.822 -1.743 1.00 0.89 C ATOM 1113 CD ARG A 75 17.023 1.347 -3.110 1.00 0.88 C ATOM 1114 NE ARG A 75 18.458 1.550 -3.292 1.00 1.59 N ATOM 1115 CZ ARG A 75 19.112 1.252 -4.409 1.00 2.26 C ATOM 1116 NH1 ARG A 75 18.462 0.744 -5.448 1.00 2.72 N ATOM 1117 NH2 ARG A 75 20.418 1.467 -4.491 1.00 3.06 N ATOM 0 H ARG A 75 12.786 1.007 -0.792 1.00 0.37 H new ATOM 0 HA ARG A 75 15.151 1.697 0.616 1.00 0.41 H new ATOM 0 HB2 ARG A 75 14.962 0.410 -1.542 1.00 0.48 H new ATOM 0 HB3 ARG A 75 14.505 1.898 -2.348 1.00 0.48 H new ATOM 0 HG2 ARG A 75 16.702 2.898 -1.658 1.00 0.89 H new ATOM 0 HG3 ARG A 75 17.155 1.353 -0.965 1.00 0.89 H new ATOM 0 HD2 ARG A 75 16.788 0.289 -3.228 1.00 0.88 H new ATOM 0 HD3 ARG A 75 16.479 1.883 -3.888 1.00 0.88 H new ATOM 0 HE ARG A 75 18.989 1.944 -2.515 1.00 1.59 H new ATOM 0 HH11 ARG A 75 17.457 0.581 -5.391 1.00 2.72 H new ATOM 0 HH12 ARG A 75 18.968 0.516 -6.304 1.00 2.72 H new ATOM 0 HH21 ARG A 75 20.921 1.861 -3.696 1.00 3.06 H new ATOM 0 HH22 ARG A 75 20.920 1.238 -5.349 1.00 3.06 H new ATOM 1131 N ILE A 76 13.503 4.100 -0.920 1.00 0.38 N ATOM 1132 CA ILE A 76 13.356 5.543 -1.029 1.00 0.41 C ATOM 1133 C ILE A 76 12.797 6.140 0.251 1.00 0.42 C ATOM 1134 O ILE A 76 13.422 7.007 0.854 1.00 0.44 O ATOM 1135 CB ILE A 76 12.451 5.927 -2.210 1.00 0.45 C ATOM 1136 CG1 ILE A 76 12.931 5.232 -3.488 1.00 0.55 C ATOM 1137 CG2 ILE A 76 12.435 7.441 -2.390 1.00 0.50 C ATOM 1138 CD1 ILE A 76 14.333 5.621 -3.913 1.00 0.83 C ATOM 0 H ILE A 76 12.789 3.565 -1.413 1.00 0.38 H new ATOM 0 HA ILE A 76 14.352 5.949 -1.203 1.00 0.41 H new ATOM 0 HB ILE A 76 11.434 5.597 -2.000 1.00 0.45 H new ATOM 0 HG12 ILE A 76 12.894 4.153 -3.338 1.00 0.55 H new ATOM 0 HG13 ILE A 76 12.239 5.465 -4.298 1.00 0.55 H new ATOM 0 HG21 ILE A 76 11.790 7.701 -3.230 1.00 0.50 H new ATOM 0 HG22 ILE A 76 12.056 7.911 -1.483 1.00 0.50 H new ATOM 0 HG23 ILE A 76 13.447 7.795 -2.587 1.00 0.50 H new ATOM 0 HD11 ILE A 76 14.598 5.086 -4.825 1.00 0.83 H new ATOM 0 HD12 ILE A 76 14.373 6.695 -4.097 1.00 0.83 H new ATOM 0 HD13 ILE A 76 15.038 5.362 -3.123 1.00 0.83 H new ATOM 1150 N GLU A 77 11.621 5.672 0.663 1.00 0.44 N ATOM 1151 CA GLU A 77 10.989 6.177 1.882 1.00 0.47 C ATOM 1152 C GLU A 77 11.991 6.215 3.032 1.00 0.48 C ATOM 1153 O GLU A 77 11.935 7.097 3.888 1.00 0.54 O ATOM 1154 CB GLU A 77 9.788 5.317 2.286 1.00 0.50 C ATOM 1155 CG GLU A 77 9.455 4.199 1.311 1.00 0.66 C ATOM 1156 CD GLU A 77 8.622 3.101 1.944 1.00 0.97 C ATOM 1157 OE1 GLU A 77 8.429 3.139 3.178 1.00 1.43 O ATOM 1158 OE2 GLU A 77 8.147 2.217 1.205 1.00 1.32 O ATOM 0 H GLU A 77 11.089 4.950 0.176 1.00 0.44 H new ATOM 0 HA GLU A 77 10.640 7.188 1.671 1.00 0.47 H new ATOM 0 HB2 GLU A 77 9.983 4.881 3.266 1.00 0.50 H new ATOM 0 HB3 GLU A 77 8.915 5.961 2.392 1.00 0.50 H new ATOM 0 HG2 GLU A 77 8.916 4.614 0.459 1.00 0.66 H new ATOM 0 HG3 GLU A 77 10.380 3.771 0.925 1.00 0.66 H new ATOM 1165 N LEU A 78 12.913 5.255 3.038 1.00 0.45 N ATOM 1166 CA LEU A 78 13.933 5.184 4.078 1.00 0.49 C ATOM 1167 C LEU A 78 14.842 6.405 3.995 1.00 0.49 C ATOM 1168 O LEU A 78 15.092 7.074 4.998 1.00 0.59 O ATOM 1169 CB LEU A 78 14.751 3.892 3.927 1.00 0.53 C ATOM 1170 CG LEU A 78 15.665 3.532 5.106 1.00 0.88 C ATOM 1171 CD1 LEU A 78 16.159 2.100 4.973 1.00 1.66 C ATOM 1172 CD2 LEU A 78 16.850 4.484 5.192 1.00 1.52 C ATOM 0 H LEU A 78 12.974 4.518 2.336 1.00 0.45 H new ATOM 0 HA LEU A 78 13.449 5.174 5.055 1.00 0.49 H new ATOM 0 HB2 LEU A 78 14.060 3.065 3.763 1.00 0.53 H new ATOM 0 HB3 LEU A 78 15.365 3.977 3.030 1.00 0.53 H new ATOM 0 HG LEU A 78 15.083 3.626 6.023 1.00 0.88 H new ATOM 0 HD11 LEU A 78 16.806 1.859 5.816 1.00 1.66 H new ATOM 0 HD12 LEU A 78 15.307 1.421 4.963 1.00 1.66 H new ATOM 0 HD13 LEU A 78 16.719 1.993 4.044 1.00 1.66 H new ATOM 0 HD21 LEU A 78 17.480 4.205 6.036 1.00 1.52 H new ATOM 0 HD22 LEU A 78 17.430 4.426 4.271 1.00 1.52 H new ATOM 0 HD23 LEU A 78 16.489 5.503 5.330 1.00 1.52 H new ATOM 1184 N GLN A 79 15.328 6.692 2.791 1.00 0.47 N ATOM 1185 CA GLN A 79 16.205 7.836 2.575 1.00 0.52 C ATOM 1186 C GLN A 79 15.422 9.041 2.057 1.00 0.53 C ATOM 1187 O GLN A 79 16.003 9.975 1.504 1.00 0.72 O ATOM 1188 CB GLN A 79 17.319 7.476 1.591 1.00 0.63 C ATOM 1189 CG GLN A 79 16.810 7.015 0.234 1.00 1.12 C ATOM 1190 CD GLN A 79 17.927 6.705 -0.748 1.00 1.67 C ATOM 1191 OE1 GLN A 79 19.175 6.849 -0.309 1.00 2.24 O flip ATOM 1192 NE2 GLN A 79 17.670 6.335 -1.894 1.00 2.32 N flip ATOM 0 H GLN A 79 15.129 6.148 1.951 1.00 0.47 H new ATOM 0 HA GLN A 79 16.649 8.102 3.534 1.00 0.52 H new ATOM 0 HB2 GLN A 79 17.963 8.344 1.452 1.00 0.63 H new ATOM 0 HB3 GLN A 79 17.935 6.688 2.025 1.00 0.63 H new ATOM 0 HG2 GLN A 79 16.194 6.126 0.367 1.00 1.12 H new ATOM 0 HG3 GLN A 79 16.167 7.788 -0.188 1.00 1.12 H new ATOM 0 HE21 GLN A 79 16.700 6.237 -2.193 1.00 2.32 H new ATOM 0 HE22 GLN A 79 18.427 6.127 -2.545 1.00 2.32 H new ATOM 1201 N GLN A 80 14.105 9.017 2.242 1.00 0.61 N ATOM 1202 CA GLN A 80 13.255 10.114 1.792 1.00 0.72 C ATOM 1203 C GLN A 80 12.614 10.832 2.978 1.00 0.88 C ATOM 1204 O GLN A 80 12.694 12.054 3.085 1.00 1.15 O ATOM 1205 CB GLN A 80 12.168 9.610 0.834 1.00 0.74 C ATOM 1206 CG GLN A 80 11.294 10.726 0.280 1.00 1.27 C ATOM 1207 CD GLN A 80 12.093 11.775 -0.468 1.00 1.51 C ATOM 1208 OE1 GLN A 80 12.773 11.472 -1.445 1.00 2.00 O ATOM 1209 NE2 GLN A 80 12.008 13.019 -0.010 1.00 2.07 N ATOM 0 H GLN A 80 13.606 8.254 2.698 1.00 0.61 H new ATOM 0 HA GLN A 80 13.888 10.822 1.258 1.00 0.72 H new ATOM 0 HB2 GLN A 80 12.639 9.081 0.006 1.00 0.74 H new ATOM 0 HB3 GLN A 80 11.539 8.889 1.356 1.00 0.74 H new ATOM 0 HG2 GLN A 80 10.546 10.299 -0.388 1.00 1.27 H new ATOM 0 HG3 GLN A 80 10.755 11.201 1.100 1.00 1.27 H new ATOM 0 HE21 GLN A 80 11.430 13.224 0.805 1.00 2.07 H new ATOM 0 HE22 GLN A 80 12.520 13.769 -0.474 1.00 2.07 H new ATOM 1218 N GLY A 81 11.980 10.069 3.865 1.00 0.99 N ATOM 1219 CA GLY A 81 11.339 10.665 5.023 1.00 1.25 C ATOM 1220 C GLY A 81 12.337 11.185 6.041 1.00 1.79 C ATOM 1221 O GLY A 81 11.953 11.832 7.018 1.00 2.18 O ATOM 0 H GLY A 81 11.899 9.054 3.803 1.00 0.99 H new ATOM 0 HA2 GLY A 81 10.698 11.484 4.697 1.00 1.25 H new ATOM 0 HA3 GLY A 81 10.694 9.925 5.497 1.00 1.25 H new ATOM 1429 N THR A 93 7.650 7.998 7.776 1.00 1.14 N ATOM 1430 CA THR A 93 7.627 6.641 7.243 1.00 1.33 C ATOM 1431 C THR A 93 6.791 6.524 5.977 1.00 1.11 C ATOM 1432 O THR A 93 6.344 7.517 5.403 1.00 1.61 O ATOM 1433 CB THR A 93 7.125 5.646 8.297 1.00 1.94 C ATOM 1434 OG1 THR A 93 5.762 5.871 8.605 1.00 2.57 O ATOM 1435 CG2 THR A 93 7.903 5.707 9.593 1.00 2.58 C ATOM 0 HA THR A 93 8.656 6.396 6.979 1.00 1.33 H new ATOM 0 HB THR A 93 7.266 4.663 7.848 1.00 1.94 H new ATOM 0 HG1 THR A 93 5.548 6.818 8.471 1.00 2.57 H new ATOM 0 HG21 THR A 93 7.498 4.979 10.295 1.00 2.58 H new ATOM 0 HG22 THR A 93 8.951 5.480 9.399 1.00 2.58 H new ATOM 0 HG23 THR A 93 7.822 6.707 10.020 1.00 2.58 H new ATOM 1443 N LEU A 94 6.619 5.281 5.545 1.00 0.80 N ATOM 1444 CA LEU A 94 5.881 4.961 4.337 1.00 0.54 C ATOM 1445 C LEU A 94 5.715 3.440 4.269 1.00 0.52 C ATOM 1446 O LEU A 94 6.561 2.705 4.776 1.00 0.65 O ATOM 1447 CB LEU A 94 6.658 5.518 3.133 1.00 0.48 C ATOM 1448 CG LEU A 94 5.962 5.495 1.766 1.00 0.52 C ATOM 1449 CD1 LEU A 94 6.819 6.229 0.743 1.00 1.39 C ATOM 1450 CD2 LEU A 94 5.701 4.075 1.295 1.00 1.37 C ATOM 0 H LEU A 94 6.991 4.464 6.029 1.00 0.80 H new ATOM 0 HA LEU A 94 4.888 5.411 4.332 1.00 0.54 H new ATOM 0 HB2 LEU A 94 6.927 6.551 3.356 1.00 0.48 H new ATOM 0 HB3 LEU A 94 7.589 4.958 3.046 1.00 0.48 H new ATOM 0 HG LEU A 94 4.999 5.995 1.870 1.00 0.52 H new ATOM 0 HD11 LEU A 94 6.323 6.211 -0.227 1.00 1.39 H new ATOM 0 HD12 LEU A 94 6.959 7.262 1.060 1.00 1.39 H new ATOM 0 HD13 LEU A 94 7.790 5.739 0.663 1.00 1.39 H new ATOM 0 HD21 LEU A 94 5.207 4.099 0.324 1.00 1.37 H new ATOM 0 HD22 LEU A 94 6.647 3.541 1.208 1.00 1.37 H new ATOM 0 HD23 LEU A 94 5.061 3.565 2.015 1.00 1.37 H new ATOM 1462 N ASP A 95 4.623 2.963 3.681 1.00 0.49 N ATOM 1463 CA ASP A 95 4.383 1.525 3.606 1.00 0.56 C ATOM 1464 C ASP A 95 4.005 1.083 2.196 1.00 0.48 C ATOM 1465 O ASP A 95 2.943 1.439 1.687 1.00 0.65 O ATOM 1466 CB ASP A 95 3.279 1.124 4.586 1.00 0.87 C ATOM 1467 CG ASP A 95 3.623 1.481 6.018 1.00 1.51 C ATOM 1468 OD1 ASP A 95 4.648 0.978 6.527 1.00 1.92 O ATOM 1469 OD2 ASP A 95 2.868 2.263 6.634 1.00 2.19 O ATOM 0 H ASP A 95 3.899 3.541 3.255 1.00 0.49 H new ATOM 0 HA ASP A 95 5.313 1.025 3.875 1.00 0.56 H new ATOM 0 HB2 ASP A 95 2.349 1.618 4.304 1.00 0.87 H new ATOM 0 HB3 ASP A 95 3.104 0.051 4.514 1.00 0.87 H new ATOM 1474 N LEU A 96 4.883 0.296 1.580 1.00 0.48 N ATOM 1475 CA LEU A 96 4.651 -0.214 0.233 1.00 0.63 C ATOM 1476 C LEU A 96 4.809 -1.729 0.185 1.00 0.60 C ATOM 1477 O LEU A 96 5.925 -2.244 0.189 1.00 0.76 O ATOM 1478 CB LEU A 96 5.616 0.449 -0.749 1.00 0.97 C ATOM 1479 CG LEU A 96 4.973 1.419 -1.743 1.00 0.98 C ATOM 1480 CD1 LEU A 96 4.190 0.660 -2.799 1.00 1.91 C ATOM 1481 CD2 LEU A 96 4.064 2.405 -1.023 1.00 2.04 C ATOM 0 H LEU A 96 5.765 -0.003 1.995 1.00 0.48 H new ATOM 0 HA LEU A 96 3.627 0.027 -0.052 1.00 0.63 H new ATOM 0 HB2 LEU A 96 6.374 0.987 -0.180 1.00 0.97 H new ATOM 0 HB3 LEU A 96 6.131 -0.331 -1.309 1.00 0.97 H new ATOM 0 HG LEU A 96 5.770 1.978 -2.234 1.00 0.98 H new ATOM 0 HD11 LEU A 96 3.740 1.367 -3.496 1.00 1.91 H new ATOM 0 HD12 LEU A 96 4.861 -0.007 -3.340 1.00 1.91 H new ATOM 0 HD13 LEU A 96 3.406 0.074 -2.320 1.00 1.91 H new ATOM 0 HD21 LEU A 96 3.618 3.085 -1.749 1.00 2.04 H new ATOM 0 HD22 LEU A 96 3.276 1.860 -0.503 1.00 2.04 H new ATOM 0 HD23 LEU A 96 4.647 2.977 -0.301 1.00 2.04 H new ATOM 1493 N ASP A 97 3.683 -2.437 0.141 1.00 0.55 N ATOM 1494 CA ASP A 97 3.700 -3.899 0.097 1.00 0.62 C ATOM 1495 C ASP A 97 2.552 -4.442 -0.747 1.00 0.56 C ATOM 1496 O ASP A 97 1.401 -4.035 -0.588 1.00 0.70 O ATOM 1497 CB ASP A 97 3.626 -4.469 1.515 1.00 0.79 C ATOM 1498 CG ASP A 97 2.397 -3.998 2.268 1.00 1.45 C ATOM 1499 OD1 ASP A 97 2.236 -2.771 2.433 1.00 1.98 O ATOM 1500 OD2 ASP A 97 1.597 -4.857 2.694 1.00 2.17 O ATOM 0 H ASP A 97 2.750 -2.025 0.135 1.00 0.55 H new ATOM 0 HA ASP A 97 4.636 -4.211 -0.367 1.00 0.62 H new ATOM 0 HB2 ASP A 97 3.622 -5.558 1.465 1.00 0.79 H new ATOM 0 HB3 ASP A 97 4.520 -4.178 2.067 1.00 0.79 H new ATOM 1505 N ILE A 98 2.877 -5.367 -1.649 1.00 0.69 N ATOM 1506 CA ILE A 98 1.879 -5.968 -2.529 1.00 0.63 C ATOM 1507 C ILE A 98 0.996 -6.971 -1.789 1.00 0.67 C ATOM 1508 O ILE A 98 1.475 -7.991 -1.291 1.00 0.93 O ATOM 1509 CB ILE A 98 2.545 -6.663 -3.738 1.00 0.74 C ATOM 1510 CG1 ILE A 98 3.174 -5.626 -4.666 1.00 1.91 C ATOM 1511 CG2 ILE A 98 1.536 -7.511 -4.497 1.00 1.40 C ATOM 1512 CD1 ILE A 98 4.141 -6.213 -5.668 1.00 2.73 C ATOM 0 H ILE A 98 3.825 -5.716 -1.789 1.00 0.69 H new ATOM 0 HA ILE A 98 1.250 -5.153 -2.887 1.00 0.63 H new ATOM 0 HB ILE A 98 3.330 -7.320 -3.365 1.00 0.74 H new ATOM 0 HG12 ILE A 98 2.382 -5.104 -5.202 1.00 1.91 H new ATOM 0 HG13 ILE A 98 3.696 -4.882 -4.064 1.00 1.91 H new ATOM 0 HG21 ILE A 98 2.027 -7.990 -5.344 1.00 1.40 H new ATOM 0 HG22 ILE A 98 1.130 -8.274 -3.833 1.00 1.40 H new ATOM 0 HG23 ILE A 98 0.727 -6.877 -4.859 1.00 1.40 H new ATOM 0 HD11 ILE A 98 4.547 -5.416 -6.292 1.00 2.73 H new ATOM 0 HD12 ILE A 98 4.954 -6.711 -5.140 1.00 2.73 H new ATOM 0 HD13 ILE A 98 3.620 -6.936 -6.296 1.00 2.73 H new ATOM 1524 N MET A 99 -0.301 -6.670 -1.727 1.00 0.53 N ATOM 1525 CA MET A 99 -1.268 -7.532 -1.058 1.00 0.63 C ATOM 1526 C MET A 99 -1.694 -8.693 -1.956 1.00 0.63 C ATOM 1527 O MET A 99 -2.247 -9.677 -1.479 1.00 0.87 O ATOM 1528 CB MET A 99 -2.489 -6.717 -0.633 1.00 0.70 C ATOM 1529 CG MET A 99 -2.165 -5.574 0.320 1.00 0.93 C ATOM 1530 SD MET A 99 -1.930 -6.110 2.032 1.00 1.77 S ATOM 1531 CE MET A 99 -0.378 -7.001 1.939 1.00 2.48 C ATOM 0 H MET A 99 -0.706 -5.828 -2.136 1.00 0.53 H new ATOM 0 HA MET A 99 -0.791 -7.952 -0.173 1.00 0.63 H new ATOM 0 HB2 MET A 99 -2.970 -6.310 -1.523 1.00 0.70 H new ATOM 0 HB3 MET A 99 -3.210 -7.382 -0.156 1.00 0.70 H new ATOM 0 HG2 MET A 99 -1.261 -5.070 -0.023 1.00 0.93 H new ATOM 0 HG3 MET A 99 -2.971 -4.841 0.284 1.00 0.93 H new ATOM 0 HE1 MET A 99 0.169 -6.878 2.874 1.00 2.48 H new ATOM 0 HE2 MET A 99 -0.576 -8.060 1.771 1.00 2.48 H new ATOM 0 HE3 MET A 99 0.218 -6.608 1.115 1.00 2.48 H new ATOM 1541 N LEU A 100 -1.425 -8.575 -3.254 1.00 0.51 N ATOM 1542 CA LEU A 100 -1.768 -9.635 -4.215 1.00 0.55 C ATOM 1543 C LEU A 100 -0.775 -9.659 -5.380 1.00 0.54 C ATOM 1544 O LEU A 100 -0.686 -8.697 -6.137 1.00 0.76 O ATOM 1545 CB LEU A 100 -3.189 -9.459 -4.774 1.00 0.75 C ATOM 1546 CG LEU A 100 -4.329 -9.576 -3.757 1.00 1.12 C ATOM 1547 CD1 LEU A 100 -4.820 -8.201 -3.339 1.00 1.87 C ATOM 1548 CD2 LEU A 100 -5.477 -10.399 -4.329 1.00 1.69 C ATOM 0 H LEU A 100 -0.972 -7.761 -3.669 1.00 0.51 H new ATOM 0 HA LEU A 100 -1.719 -10.579 -3.672 1.00 0.55 H new ATOM 0 HB2 LEU A 100 -3.252 -8.481 -5.250 1.00 0.75 H new ATOM 0 HB3 LEU A 100 -3.346 -10.204 -5.554 1.00 0.75 H new ATOM 0 HG LEU A 100 -3.945 -10.087 -2.874 1.00 1.12 H new ATOM 0 HD11 LEU A 100 -5.629 -8.308 -2.617 1.00 1.87 H new ATOM 0 HD12 LEU A 100 -4.000 -7.644 -2.886 1.00 1.87 H new ATOM 0 HD13 LEU A 100 -5.184 -7.663 -4.214 1.00 1.87 H new ATOM 0 HD21 LEU A 100 -6.276 -10.470 -3.591 1.00 1.69 H new ATOM 0 HD22 LEU A 100 -5.857 -9.917 -5.230 1.00 1.69 H new ATOM 0 HD23 LEU A 100 -5.120 -11.399 -4.575 1.00 1.69 H new ATOM 1560 N PHE A 101 -0.031 -10.758 -5.528 1.00 0.46 N ATOM 1561 CA PHE A 101 0.942 -10.865 -6.616 1.00 0.46 C ATOM 1562 C PHE A 101 0.299 -11.429 -7.886 1.00 0.51 C ATOM 1563 O PHE A 101 0.459 -12.607 -8.206 1.00 0.58 O ATOM 1564 CB PHE A 101 2.130 -11.736 -6.195 1.00 0.45 C ATOM 1565 CG PHE A 101 3.206 -11.850 -7.240 1.00 0.51 C ATOM 1566 CD1 PHE A 101 3.740 -10.718 -7.836 1.00 0.56 C ATOM 1567 CD2 PHE A 101 3.684 -13.093 -7.626 1.00 0.58 C ATOM 1568 CE1 PHE A 101 4.730 -10.823 -8.795 1.00 0.65 C ATOM 1569 CE2 PHE A 101 4.675 -13.205 -8.584 1.00 0.68 C ATOM 1570 CZ PHE A 101 5.197 -12.069 -9.169 1.00 0.71 C ATOM 0 H PHE A 101 -0.082 -11.574 -4.918 1.00 0.46 H new ATOM 0 HA PHE A 101 1.302 -9.860 -6.836 1.00 0.46 H new ATOM 0 HB2 PHE A 101 2.565 -11.324 -5.284 1.00 0.45 H new ATOM 0 HB3 PHE A 101 1.767 -12.735 -5.952 1.00 0.45 H new ATOM 0 HD1 PHE A 101 3.378 -9.742 -7.548 1.00 0.56 H new ATOM 0 HD2 PHE A 101 3.277 -13.985 -7.173 1.00 0.58 H new ATOM 0 HE1 PHE A 101 5.138 -9.933 -9.251 1.00 0.65 H new ATOM 0 HE2 PHE A 101 5.040 -14.179 -8.874 1.00 0.68 H new ATOM 0 HZ PHE A 101 5.970 -12.154 -9.919 1.00 0.71 H new ATOM 1580 N GLY A 102 -0.417 -10.570 -8.609 1.00 0.54 N ATOM 1581 CA GLY A 102 -1.065 -10.975 -9.842 1.00 0.65 C ATOM 1582 C GLY A 102 -2.351 -11.742 -9.620 1.00 0.67 C ATOM 1583 O GLY A 102 -3.417 -11.333 -10.081 1.00 0.99 O ATOM 0 H GLY A 102 -0.559 -9.592 -8.358 1.00 0.54 H new ATOM 0 HA2 GLY A 102 -1.277 -10.089 -10.440 1.00 0.65 H new ATOM 0 HA3 GLY A 102 -0.377 -11.592 -10.420 1.00 0.65 H new ATOM 1587 N ASN A 103 -2.232 -12.867 -8.928 1.00 0.58 N ATOM 1588 CA ASN A 103 -3.351 -13.745 -8.640 1.00 0.64 C ATOM 1589 C ASN A 103 -2.834 -15.038 -8.009 1.00 0.71 C ATOM 1590 O ASN A 103 -3.601 -15.850 -7.490 1.00 1.08 O ATOM 1591 CB ASN A 103 -4.110 -14.049 -9.928 1.00 0.78 C ATOM 1592 CG ASN A 103 -5.183 -15.086 -9.729 1.00 1.18 C ATOM 1593 OD1 ASN A 103 -4.904 -16.282 -9.632 1.00 2.12 O ATOM 1594 ND2 ASN A 103 -6.418 -14.629 -9.642 1.00 1.38 N ATOM 0 H ASN A 103 -1.345 -13.197 -8.548 1.00 0.58 H new ATOM 0 HA ASN A 103 -4.030 -13.257 -7.941 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -4.561 -13.131 -10.306 1.00 0.78 H new ATOM 0 HB3 ASN A 103 -3.409 -14.396 -10.687 1.00 0.78 H new ATOM 0 HD21 ASN A 103 -7.191 -15.276 -9.488 1.00 1.38 H new ATOM 0 HD22 ASN A 103 -6.599 -13.629 -9.729 1.00 1.38 H new ATOM 1601 N GLU A 104 -1.515 -15.198 -8.068 1.00 0.53 N ATOM 1602 CA GLU A 104 -0.814 -16.355 -7.526 1.00 0.61 C ATOM 1603 C GLU A 104 -1.250 -16.659 -6.088 1.00 0.64 C ATOM 1604 O GLU A 104 -2.094 -15.970 -5.523 1.00 0.84 O ATOM 1605 CB GLU A 104 0.688 -16.057 -7.567 1.00 0.70 C ATOM 1606 CG GLU A 104 1.580 -17.276 -7.375 1.00 1.16 C ATOM 1607 CD GLU A 104 1.385 -18.328 -8.452 1.00 1.28 C ATOM 1608 OE1 GLU A 104 0.267 -18.873 -8.551 1.00 1.79 O ATOM 1609 OE2 GLU A 104 2.350 -18.607 -9.196 1.00 1.87 O ATOM 0 H GLU A 104 -0.894 -14.515 -8.501 1.00 0.53 H new ATOM 0 HA GLU A 104 -1.053 -17.233 -8.125 1.00 0.61 H new ATOM 0 HB2 GLU A 104 0.928 -15.595 -8.525 1.00 0.70 H new ATOM 0 HB3 GLU A 104 0.922 -15.326 -6.793 1.00 0.70 H new ATOM 0 HG2 GLU A 104 2.623 -16.959 -7.369 1.00 1.16 H new ATOM 0 HG3 GLU A 104 1.376 -17.719 -6.400 1.00 1.16 H new ATOM 1616 N VAL A 105 -0.661 -17.690 -5.493 1.00 0.62 N ATOM 1617 CA VAL A 105 -0.987 -18.058 -4.122 1.00 0.66 C ATOM 1618 C VAL A 105 0.278 -18.176 -3.285 1.00 0.70 C ATOM 1619 O VAL A 105 0.840 -19.262 -3.129 1.00 0.83 O ATOM 1620 CB VAL A 105 -1.763 -19.387 -4.051 1.00 0.75 C ATOM 1621 CG1 VAL A 105 -2.201 -19.679 -2.624 1.00 1.18 C ATOM 1622 CG2 VAL A 105 -2.959 -19.359 -4.991 1.00 0.95 C ATOM 0 H VAL A 105 0.041 -18.283 -5.936 1.00 0.62 H new ATOM 0 HA VAL A 105 -1.622 -17.266 -3.725 1.00 0.66 H new ATOM 0 HB VAL A 105 -1.099 -20.190 -4.371 1.00 0.75 H new ATOM 0 HG11 VAL A 105 -2.747 -20.622 -2.597 1.00 1.18 H new ATOM 0 HG12 VAL A 105 -1.323 -19.749 -1.981 1.00 1.18 H new ATOM 0 HG13 VAL A 105 -2.847 -18.875 -2.270 1.00 1.18 H new ATOM 0 HG21 VAL A 105 -3.494 -20.306 -4.927 1.00 0.95 H new ATOM 0 HG22 VAL A 105 -3.626 -18.545 -4.707 1.00 0.95 H new ATOM 0 HG23 VAL A 105 -2.614 -19.206 -6.014 1.00 0.95 H new ATOM 1632 N ILE A 106 0.722 -17.046 -2.749 1.00 0.65 N ATOM 1633 CA ILE A 106 1.923 -17.006 -1.926 1.00 0.72 C ATOM 1634 C ILE A 106 1.640 -16.335 -0.591 1.00 0.77 C ATOM 1635 O ILE A 106 1.370 -15.141 -0.547 1.00 0.84 O ATOM 1636 CB ILE A 106 3.056 -16.229 -2.625 1.00 0.81 C ATOM 1637 CG1 ILE A 106 3.434 -16.879 -3.956 1.00 0.76 C ATOM 1638 CG2 ILE A 106 4.267 -16.138 -1.713 1.00 1.33 C ATOM 1639 CD1 ILE A 106 4.487 -16.107 -4.726 1.00 0.76 C ATOM 0 H ILE A 106 0.266 -16.142 -2.871 1.00 0.65 H new ATOM 0 HA ILE A 106 2.233 -18.039 -1.768 1.00 0.72 H new ATOM 0 HB ILE A 106 2.697 -15.222 -2.837 1.00 0.81 H new ATOM 0 HG12 ILE A 106 3.799 -17.889 -3.768 1.00 0.76 H new ATOM 0 HG13 ILE A 106 2.540 -16.973 -4.573 1.00 0.76 H new ATOM 0 HG21 ILE A 106 5.061 -15.587 -2.217 1.00 1.33 H new ATOM 0 HG22 ILE A 106 3.992 -15.620 -0.794 1.00 1.33 H new ATOM 0 HG23 ILE A 106 4.618 -17.142 -1.473 1.00 1.33 H new ATOM 0 HD11 ILE A 106 4.707 -16.625 -5.660 1.00 0.76 H new ATOM 0 HD12 ILE A 106 4.116 -15.106 -4.945 1.00 0.76 H new ATOM 0 HD13 ILE A 106 5.395 -16.035 -4.128 1.00 0.76 H new ATOM 1651 N ASN A 107 1.705 -17.095 0.495 1.00 0.80 N ATOM 1652 CA ASN A 107 1.456 -16.535 1.823 1.00 0.91 C ATOM 1653 C ASN A 107 2.750 -16.433 2.624 1.00 0.92 C ATOM 1654 O ASN A 107 3.288 -17.440 3.085 1.00 1.03 O ATOM 1655 CB ASN A 107 0.439 -17.378 2.593 1.00 1.00 C ATOM 1656 CG ASN A 107 -0.854 -17.592 1.833 1.00 1.11 C ATOM 1657 OD1 ASN A 107 -1.015 -16.891 0.719 1.00 1.79 O flip ATOM 1658 ND2 ASN A 107 -1.712 -18.370 2.254 1.00 1.12 N flip ATOM 0 H ASN A 107 1.925 -18.091 0.487 1.00 0.80 H new ATOM 0 HA ASN A 107 1.048 -15.534 1.684 1.00 0.91 H new ATOM 0 HB2 ASN A 107 0.881 -18.347 2.826 1.00 1.00 H new ATOM 0 HB3 ASN A 107 0.218 -16.892 3.543 1.00 1.00 H new ATOM 0 HD21 ASN A 107 -1.549 -18.891 3.116 1.00 1.12 H new ATOM 0 HD22 ASN A 107 -2.585 -18.493 1.741 1.00 1.12 H new ATOM 1665 N THR A 108 3.242 -15.209 2.792 1.00 0.92 N ATOM 1666 CA THR A 108 4.470 -14.971 3.545 1.00 1.01 C ATOM 1667 C THR A 108 4.329 -13.725 4.419 1.00 1.15 C ATOM 1668 O THR A 108 3.255 -13.458 4.958 1.00 1.79 O ATOM 1669 CB THR A 108 5.660 -14.823 2.595 1.00 1.00 C ATOM 1670 OG1 THR A 108 5.469 -13.729 1.718 1.00 1.66 O ATOM 1671 CG2 THR A 108 5.913 -16.053 1.750 1.00 1.26 C ATOM 0 H THR A 108 2.809 -14.365 2.416 1.00 0.92 H new ATOM 0 HA THR A 108 4.648 -15.829 4.193 1.00 1.01 H new ATOM 0 HB THR A 108 6.524 -14.665 3.240 1.00 1.00 H new ATOM 0 HG1 THR A 108 4.862 -13.991 0.995 1.00 1.66 H new ATOM 0 HG21 THR A 108 6.770 -15.878 1.100 1.00 1.26 H new ATOM 0 HG22 THR A 108 6.117 -16.905 2.399 1.00 1.26 H new ATOM 0 HG23 THR A 108 5.034 -16.263 1.141 1.00 1.26 H new ATOM 1679 N GLU A 109 5.414 -12.967 4.559 1.00 0.95 N ATOM 1680 CA GLU A 109 5.396 -11.755 5.370 1.00 1.05 C ATOM 1681 C GLU A 109 5.452 -10.508 4.493 1.00 1.06 C ATOM 1682 O GLU A 109 4.824 -9.495 4.801 1.00 1.32 O ATOM 1683 CB GLU A 109 6.566 -11.759 6.355 1.00 1.20 C ATOM 1684 CG GLU A 109 6.552 -12.943 7.307 1.00 1.46 C ATOM 1685 CD GLU A 109 7.729 -12.939 8.260 1.00 2.13 C ATOM 1686 OE1 GLU A 109 8.882 -12.974 7.781 1.00 2.74 O ATOM 1687 OE2 GLU A 109 7.500 -12.900 9.487 1.00 2.57 O ATOM 0 H GLU A 109 6.313 -13.171 4.123 1.00 0.95 H new ATOM 0 HA GLU A 109 4.461 -11.736 5.929 1.00 1.05 H new ATOM 0 HB2 GLU A 109 7.502 -11.764 5.796 1.00 1.20 H new ATOM 0 HB3 GLU A 109 6.546 -10.836 6.935 1.00 1.20 H new ATOM 0 HG2 GLU A 109 5.625 -12.932 7.880 1.00 1.46 H new ATOM 0 HG3 GLU A 109 6.559 -13.868 6.730 1.00 1.46 H new ATOM 1694 N ARG A 110 6.201 -10.591 3.399 1.00 0.93 N ATOM 1695 CA ARG A 110 6.325 -9.468 2.477 1.00 0.97 C ATOM 1696 C ARG A 110 5.829 -9.861 1.092 1.00 0.79 C ATOM 1697 O ARG A 110 6.016 -9.128 0.122 1.00 0.87 O ATOM 1698 CB ARG A 110 7.776 -8.976 2.396 1.00 1.17 C ATOM 1699 CG ARG A 110 8.739 -9.954 1.737 1.00 1.05 C ATOM 1700 CD ARG A 110 8.992 -11.176 2.605 1.00 1.57 C ATOM 1701 NE ARG A 110 9.526 -10.816 3.917 1.00 2.14 N ATOM 1702 CZ ARG A 110 9.824 -11.703 4.863 1.00 2.68 C ATOM 1703 NH1 ARG A 110 9.640 -12.998 4.645 1.00 2.96 N ATOM 1704 NH2 ARG A 110 10.306 -11.294 6.029 1.00 3.52 N ATOM 0 H ARG A 110 6.730 -11.421 3.130 1.00 0.93 H new ATOM 0 HA ARG A 110 5.709 -8.653 2.857 1.00 0.97 H new ATOM 0 HB2 ARG A 110 7.797 -8.037 1.843 1.00 1.17 H new ATOM 0 HB3 ARG A 110 8.130 -8.761 3.404 1.00 1.17 H new ATOM 0 HG2 ARG A 110 8.334 -10.270 0.776 1.00 1.05 H new ATOM 0 HG3 ARG A 110 9.685 -9.451 1.535 1.00 1.05 H new ATOM 0 HD2 ARG A 110 8.061 -11.729 2.732 1.00 1.57 H new ATOM 0 HD3 ARG A 110 9.692 -11.841 2.099 1.00 1.57 H new ATOM 0 HE ARG A 110 9.679 -9.828 4.119 1.00 2.14 H new ATOM 0 HH11 ARG A 110 9.269 -13.317 3.750 1.00 2.96 H new ATOM 0 HH12 ARG A 110 9.870 -13.675 5.372 1.00 2.96 H new ATOM 0 HH21 ARG A 110 10.448 -10.299 6.201 1.00 3.52 H new ATOM 0 HH22 ARG A 110 10.534 -11.975 6.754 1.00 3.52 H new ATOM 1718 N LEU A 111 5.190 -11.022 1.014 1.00 0.72 N ATOM 1719 CA LEU A 111 4.657 -11.518 -0.247 1.00 0.75 C ATOM 1720 C LEU A 111 3.439 -12.408 -0.018 1.00 0.66 C ATOM 1721 O LEU A 111 3.512 -13.631 -0.132 1.00 0.70 O ATOM 1722 CB LEU A 111 5.736 -12.276 -1.027 1.00 0.95 C ATOM 1723 CG LEU A 111 5.240 -13.031 -2.270 1.00 0.69 C ATOM 1724 CD1 LEU A 111 4.465 -12.113 -3.197 1.00 0.95 C ATOM 1725 CD2 LEU A 111 6.411 -13.665 -3.007 1.00 1.36 C ATOM 0 H LEU A 111 5.029 -11.638 1.811 1.00 0.72 H new ATOM 0 HA LEU A 111 4.340 -10.659 -0.838 1.00 0.75 H new ATOM 0 HB2 LEU A 111 6.504 -11.567 -1.336 1.00 0.95 H new ATOM 0 HB3 LEU A 111 6.213 -12.990 -0.355 1.00 0.95 H new ATOM 0 HG LEU A 111 4.565 -13.820 -1.938 1.00 0.69 H new ATOM 0 HD11 LEU A 111 4.127 -12.676 -4.067 1.00 0.95 H new ATOM 0 HD12 LEU A 111 3.602 -11.708 -2.669 1.00 0.95 H new ATOM 0 HD13 LEU A 111 5.109 -11.295 -3.521 1.00 0.95 H new ATOM 0 HD21 LEU A 111 6.044 -14.196 -3.885 1.00 1.36 H new ATOM 0 HD22 LEU A 111 7.109 -12.888 -3.319 1.00 1.36 H new ATOM 0 HD23 LEU A 111 6.921 -14.366 -2.346 1.00 1.36 H new ATOM 1737 N THR A 112 2.316 -11.779 0.292 1.00 0.71 N ATOM 1738 CA THR A 112 1.075 -12.502 0.512 1.00 0.67 C ATOM 1739 C THR A 112 0.061 -12.121 -0.562 1.00 0.66 C ATOM 1740 O THR A 112 -0.491 -11.024 -0.534 1.00 0.82 O ATOM 1741 CB THR A 112 0.520 -12.215 1.911 1.00 0.74 C ATOM 1742 OG1 THR A 112 -0.725 -12.866 2.098 1.00 0.75 O ATOM 1743 CG2 THR A 112 0.314 -10.744 2.195 1.00 0.83 C ATOM 0 H THR A 112 2.239 -10.767 0.397 1.00 0.71 H new ATOM 0 HA THR A 112 1.273 -13.572 0.446 1.00 0.67 H new ATOM 0 HB THR A 112 1.276 -12.593 2.599 1.00 0.74 H new ATOM 0 HG1 THR A 112 -0.837 -13.091 3.045 1.00 0.75 H new ATOM 0 HG21 THR A 112 -0.081 -10.620 3.203 1.00 0.83 H new ATOM 0 HG22 THR A 112 1.266 -10.220 2.111 1.00 0.83 H new ATOM 0 HG23 THR A 112 -0.392 -10.330 1.475 1.00 0.83 H new ATOM 1751 N VAL A 113 -0.171 -13.020 -1.520 1.00 0.60 N ATOM 1752 CA VAL A 113 -1.114 -12.744 -2.597 1.00 0.61 C ATOM 1753 C VAL A 113 -2.543 -12.796 -2.068 1.00 0.64 C ATOM 1754 O VAL A 113 -3.241 -11.786 -2.087 1.00 0.80 O ATOM 1755 CB VAL A 113 -0.934 -13.708 -3.783 1.00 0.64 C ATOM 1756 CG1 VAL A 113 -1.825 -13.287 -4.942 1.00 1.27 C ATOM 1757 CG2 VAL A 113 0.523 -13.765 -4.208 1.00 1.38 C ATOM 0 H VAL A 113 0.277 -13.935 -1.570 1.00 0.60 H new ATOM 0 HA VAL A 113 -0.909 -11.740 -2.969 1.00 0.61 H new ATOM 0 HB VAL A 113 -1.231 -14.709 -3.470 1.00 0.64 H new ATOM 0 HG11 VAL A 113 -1.689 -13.977 -5.775 1.00 1.27 H new ATOM 0 HG12 VAL A 113 -2.867 -13.304 -4.624 1.00 1.27 H new ATOM 0 HG13 VAL A 113 -1.558 -12.279 -5.258 1.00 1.27 H new ATOM 0 HG21 VAL A 113 0.630 -14.452 -5.048 1.00 1.38 H new ATOM 0 HG22 VAL A 113 0.854 -12.771 -4.508 1.00 1.38 H new ATOM 0 HG23 VAL A 113 1.132 -14.114 -3.374 1.00 1.38 H new ATOM 1767 N PRO A 114 -3.007 -13.952 -1.545 1.00 0.61 N ATOM 1768 CA PRO A 114 -4.350 -14.048 -0.974 1.00 0.70 C ATOM 1769 C PRO A 114 -4.534 -12.999 0.109 1.00 0.76 C ATOM 1770 O PRO A 114 -5.645 -12.756 0.574 1.00 0.88 O ATOM 1771 CB PRO A 114 -4.382 -15.447 -0.368 1.00 0.68 C ATOM 1772 CG PRO A 114 -3.379 -16.207 -1.155 1.00 0.83 C ATOM 1773 CD PRO A 114 -2.278 -15.226 -1.429 1.00 0.63 C ATOM 0 HA PRO A 114 -5.140 -13.884 -1.707 1.00 0.70 H new ATOM 0 HB2 PRO A 114 -4.126 -15.428 0.691 1.00 0.68 H new ATOM 0 HB3 PRO A 114 -5.373 -15.893 -0.449 1.00 0.68 H new ATOM 0 HG2 PRO A 114 -3.011 -17.069 -0.598 1.00 0.83 H new ATOM 0 HG3 PRO A 114 -3.809 -16.587 -2.082 1.00 0.83 H new ATOM 0 HD2 PRO A 114 -1.546 -15.202 -0.622 1.00 0.63 H new ATOM 0 HD3 PRO A 114 -1.737 -15.469 -2.344 1.00 0.63 H new ATOM 1781 N HIS A 115 -3.405 -12.388 0.489 1.00 0.82 N ATOM 1782 CA HIS A 115 -3.348 -11.340 1.502 1.00 0.95 C ATOM 1783 C HIS A 115 -3.945 -11.808 2.828 1.00 0.86 C ATOM 1784 O HIS A 115 -5.124 -12.146 2.923 1.00 0.88 O ATOM 1785 CB HIS A 115 -3.997 -10.041 0.978 1.00 1.14 C ATOM 1786 CG HIS A 115 -5.492 -10.070 0.842 1.00 2.17 C ATOM 1787 ND1 HIS A 115 -6.348 -10.236 1.911 1.00 3.14 N ATOM 1788 CD2 HIS A 115 -6.283 -9.933 -0.250 1.00 2.95 C ATOM 1789 CE1 HIS A 115 -7.598 -10.202 1.484 1.00 4.09 C ATOM 1790 NE2 HIS A 115 -7.585 -10.017 0.178 1.00 3.97 N ATOM 0 H HIS A 115 -2.494 -12.615 0.092 1.00 0.82 H new ATOM 0 HA HIS A 115 -2.301 -11.114 1.706 1.00 0.95 H new ATOM 0 HB2 HIS A 115 -3.727 -9.225 1.649 1.00 1.14 H new ATOM 0 HB3 HIS A 115 -3.566 -9.808 0.004 1.00 1.14 H new ATOM 0 HD1 HIS A 115 -6.060 -10.365 2.881 1.00 3.14 H new ATOM 0 HD2 HIS A 115 -5.951 -9.785 -1.267 1.00 2.95 H new ATOM 0 HE1 HIS A 115 -8.479 -10.308 2.099 1.00 4.09 H new ATOM 1799 N TYR A 116 -3.094 -11.854 3.850 1.00 1.04 N ATOM 1800 CA TYR A 116 -3.503 -12.308 5.173 1.00 1.14 C ATOM 1801 C TYR A 116 -3.508 -11.159 6.176 1.00 1.04 C ATOM 1802 O TYR A 116 -2.448 -10.685 6.581 1.00 1.47 O ATOM 1803 CB TYR A 116 -2.567 -13.420 5.652 1.00 1.62 C ATOM 1804 CG TYR A 116 -2.959 -14.030 6.982 1.00 2.18 C ATOM 1805 CD1 TYR A 116 -4.274 -14.400 7.235 1.00 3.06 C ATOM 1806 CD2 TYR A 116 -2.019 -14.227 7.985 1.00 2.56 C ATOM 1807 CE1 TYR A 116 -4.641 -14.949 8.448 1.00 4.05 C ATOM 1808 CE2 TYR A 116 -2.377 -14.778 9.201 1.00 3.50 C ATOM 1809 CZ TYR A 116 -3.669 -15.161 9.422 1.00 4.18 C ATOM 1810 OH TYR A 116 -4.050 -15.684 10.637 1.00 5.29 O ATOM 0 H TYR A 116 -2.113 -11.581 3.785 1.00 1.04 H new ATOM 0 HA TYR A 116 -4.520 -12.695 5.101 1.00 1.14 H new ATOM 0 HB2 TYR A 116 -2.540 -14.207 4.898 1.00 1.62 H new ATOM 0 HB3 TYR A 116 -1.556 -13.020 5.732 1.00 1.62 H new ATOM 0 HD1 TYR A 116 -5.022 -14.256 6.470 1.00 3.06 H new ATOM 0 HD2 TYR A 116 -0.991 -13.945 7.812 1.00 2.56 H new ATOM 0 HE1 TYR A 116 -5.671 -15.211 8.639 1.00 4.05 H new ATOM 0 HE2 TYR A 116 -1.635 -14.906 9.976 1.00 3.50 H new ATOM 0 HH TYR A 116 -3.264 -15.777 11.214 1.00 5.29 H new ATOM 1820 N ASP A 117 -4.720 -10.724 6.548 1.00 0.77 N ATOM 1821 CA ASP A 117 -4.945 -9.622 7.498 1.00 0.80 C ATOM 1822 C ASP A 117 -5.256 -8.348 6.735 1.00 0.72 C ATOM 1823 O ASP A 117 -5.523 -7.298 7.320 1.00 0.82 O ATOM 1824 CB ASP A 117 -3.756 -9.397 8.442 1.00 1.03 C ATOM 1825 CG ASP A 117 -3.473 -10.601 9.323 1.00 1.77 C ATOM 1826 OD1 ASP A 117 -4.205 -11.607 9.209 1.00 2.46 O ATOM 1827 OD2 ASP A 117 -2.519 -10.537 10.125 1.00 2.22 O ATOM 0 H ASP A 117 -5.585 -11.133 6.193 1.00 0.77 H new ATOM 0 HA ASP A 117 -5.793 -9.901 8.124 1.00 0.80 H new ATOM 0 HB2 ASP A 117 -2.868 -9.166 7.853 1.00 1.03 H new ATOM 0 HB3 ASP A 117 -3.956 -8.530 9.072 1.00 1.03 H new ATOM 1832 N MET A 118 -5.234 -8.468 5.419 1.00 0.69 N ATOM 1833 CA MET A 118 -5.527 -7.355 4.534 1.00 0.72 C ATOM 1834 C MET A 118 -7.008 -7.004 4.593 1.00 0.71 C ATOM 1835 O MET A 118 -7.368 -5.845 4.784 1.00 0.73 O ATOM 1836 CB MET A 118 -5.116 -7.736 3.115 1.00 0.83 C ATOM 1837 CG MET A 118 -5.889 -7.039 2.017 1.00 1.15 C ATOM 1838 SD MET A 118 -5.176 -5.454 1.558 1.00 2.40 S ATOM 1839 CE MET A 118 -5.988 -5.175 -0.013 1.00 3.10 C ATOM 0 H MET A 118 -5.013 -9.338 4.935 1.00 0.69 H new ATOM 0 HA MET A 118 -4.966 -6.475 4.849 1.00 0.72 H new ATOM 0 HB2 MET A 118 -4.056 -7.516 2.988 1.00 0.83 H new ATOM 0 HB3 MET A 118 -5.235 -8.813 2.995 1.00 0.83 H new ATOM 0 HG2 MET A 118 -5.924 -7.684 1.139 1.00 1.15 H new ATOM 0 HG3 MET A 118 -6.918 -6.888 2.343 1.00 1.15 H new ATOM 0 HE1 MET A 118 -5.359 -4.544 -0.641 1.00 3.10 H new ATOM 0 HE2 MET A 118 -6.155 -6.130 -0.511 1.00 3.10 H new ATOM 0 HE3 MET A 118 -6.945 -4.681 0.155 1.00 3.10 H new ATOM 1849 N LYS A 119 -7.859 -8.018 4.445 1.00 0.80 N ATOM 1850 CA LYS A 119 -9.308 -7.829 4.490 1.00 0.95 C ATOM 1851 C LYS A 119 -9.729 -7.075 5.748 1.00 0.99 C ATOM 1852 O LYS A 119 -10.870 -6.629 5.864 1.00 1.24 O ATOM 1853 CB LYS A 119 -10.016 -9.186 4.441 1.00 1.15 C ATOM 1854 CG LYS A 119 -9.526 -10.164 5.498 1.00 1.30 C ATOM 1855 CD LYS A 119 -10.302 -11.473 5.458 1.00 1.70 C ATOM 1856 CE LYS A 119 -11.750 -11.277 5.876 1.00 2.06 C ATOM 1857 NZ LYS A 119 -11.858 -10.734 7.259 1.00 2.67 N ATOM 0 H LYS A 119 -7.568 -8.984 4.292 1.00 0.80 H new ATOM 0 HA LYS A 119 -9.596 -7.235 3.622 1.00 0.95 H new ATOM 0 HB2 LYS A 119 -11.088 -9.033 4.568 1.00 1.15 H new ATOM 0 HB3 LYS A 119 -9.872 -9.627 3.455 1.00 1.15 H new ATOM 0 HG2 LYS A 119 -8.466 -10.365 5.344 1.00 1.30 H new ATOM 0 HG3 LYS A 119 -9.625 -9.712 6.485 1.00 1.30 H new ATOM 0 HD2 LYS A 119 -10.266 -11.887 4.450 1.00 1.70 H new ATOM 0 HD3 LYS A 119 -9.827 -12.199 6.118 1.00 1.70 H new ATOM 0 HE2 LYS A 119 -12.241 -10.597 5.179 1.00 2.06 H new ATOM 0 HE3 LYS A 119 -12.277 -12.229 5.817 1.00 2.06 H new ATOM 0 HZ1 LYS A 119 -12.565 -11.280 7.792 1.00 2.67 H new ATOM 0 HZ2 LYS A 119 -10.935 -10.806 7.733 1.00 2.67 H new ATOM 0 HZ3 LYS A 119 -12.149 -9.736 7.219 1.00 2.67 H new ATOM 1871 N ASN A 120 -8.801 -6.941 6.688 1.00 0.90 N ATOM 1872 CA ASN A 120 -9.069 -6.247 7.938 1.00 1.04 C ATOM 1873 C ASN A 120 -8.853 -4.742 7.806 1.00 1.08 C ATOM 1874 O ASN A 120 -8.815 -4.030 8.810 1.00 1.35 O ATOM 1875 CB ASN A 120 -8.167 -6.800 9.044 1.00 1.08 C ATOM 1876 CG ASN A 120 -8.516 -8.226 9.417 1.00 1.41 C ATOM 1877 OD1 ASN A 120 -7.553 -9.127 9.269 1.00 1.77 O flip ATOM 1878 ND2 ASN A 120 -9.637 -8.515 9.836 1.00 1.84 N flip ATOM 0 H ASN A 120 -7.852 -7.306 6.606 1.00 0.90 H new ATOM 0 HA ASN A 120 -10.115 -6.416 8.193 1.00 1.04 H new ATOM 0 HB2 ASN A 120 -7.128 -6.757 8.717 1.00 1.08 H new ATOM 0 HB3 ASN A 120 -8.250 -6.166 9.927 1.00 1.08 H new ATOM 0 HD21 ASN A 120 -10.347 -7.790 9.934 1.00 1.84 H new ATOM 0 HD22 ASN A 120 -9.855 -9.480 10.085 1.00 1.84 H new ATOM 1885 N ARG A 121 -8.706 -4.251 6.575 1.00 0.93 N ATOM 1886 CA ARG A 121 -8.487 -2.822 6.369 1.00 1.06 C ATOM 1887 C ARG A 121 -8.917 -2.348 4.977 1.00 0.84 C ATOM 1888 O ARG A 121 -8.168 -2.457 4.008 1.00 0.87 O ATOM 1889 CB ARG A 121 -7.013 -2.477 6.607 1.00 1.31 C ATOM 1890 CG ARG A 121 -6.049 -3.309 5.777 1.00 1.14 C ATOM 1891 CD ARG A 121 -4.609 -2.871 5.983 1.00 1.39 C ATOM 1892 NE ARG A 121 -4.195 -2.988 7.380 1.00 1.56 N ATOM 1893 CZ ARG A 121 -2.977 -2.679 7.816 1.00 1.73 C ATOM 1894 NH1 ARG A 121 -2.054 -2.248 6.967 1.00 2.29 N ATOM 1895 NH2 ARG A 121 -2.682 -2.802 9.103 1.00 2.04 N ATOM 0 H ARG A 121 -8.734 -4.810 5.722 1.00 0.93 H new ATOM 0 HA ARG A 121 -9.114 -2.298 7.091 1.00 1.06 H new ATOM 0 HB2 ARG A 121 -6.855 -1.422 6.382 1.00 1.31 H new ATOM 0 HB3 ARG A 121 -6.782 -2.616 7.663 1.00 1.31 H new ATOM 0 HG2 ARG A 121 -6.152 -4.361 6.045 1.00 1.14 H new ATOM 0 HG3 ARG A 121 -6.309 -3.222 4.722 1.00 1.14 H new ATOM 0 HD2 ARG A 121 -3.953 -3.477 5.359 1.00 1.39 H new ATOM 0 HD3 ARG A 121 -4.494 -1.837 5.656 1.00 1.39 H new ATOM 0 HE ARG A 121 -4.878 -3.325 8.058 1.00 1.56 H new ATOM 0 HH11 ARG A 121 -2.277 -2.153 5.976 1.00 2.29 H new ATOM 0 HH12 ARG A 121 -1.121 -2.012 7.305 1.00 2.29 H new ATOM 0 HH21 ARG A 121 -3.389 -3.134 9.759 1.00 2.04 H new ATOM 0 HH22 ARG A 121 -1.748 -2.565 9.437 1.00 2.04 H new ATOM 1909 N GLY A 122 -10.116 -1.767 4.899 1.00 0.73 N ATOM 1910 CA GLY A 122 -10.613 -1.233 3.636 1.00 0.60 C ATOM 1911 C GLY A 122 -9.694 -0.181 3.075 1.00 0.57 C ATOM 1912 O GLY A 122 -9.954 0.379 2.020 1.00 0.59 O ATOM 0 H GLY A 122 -10.753 -1.656 5.688 1.00 0.73 H new ATOM 0 HA2 GLY A 122 -10.720 -2.044 2.915 1.00 0.60 H new ATOM 0 HA3 GLY A 122 -11.605 -0.807 3.786 1.00 0.60 H new ATOM 1916 N PHE A 123 -8.618 0.090 3.794 1.00 0.65 N ATOM 1917 CA PHE A 123 -7.653 1.083 3.373 1.00 0.72 C ATOM 1918 C PHE A 123 -6.740 0.507 2.296 1.00 0.80 C ATOM 1919 O PHE A 123 -5.707 1.072 1.959 1.00 1.14 O ATOM 1920 CB PHE A 123 -6.835 1.565 4.567 1.00 0.84 C ATOM 1921 CG PHE A 123 -7.650 2.029 5.750 1.00 0.95 C ATOM 1922 CD1 PHE A 123 -8.490 1.155 6.424 1.00 1.10 C ATOM 1923 CD2 PHE A 123 -7.567 3.339 6.190 1.00 1.47 C ATOM 1924 CE1 PHE A 123 -9.232 1.581 7.509 1.00 1.49 C ATOM 1925 CE2 PHE A 123 -8.306 3.771 7.276 1.00 2.04 C ATOM 1926 CZ PHE A 123 -9.139 2.890 7.936 1.00 1.98 C ATOM 0 H PHE A 123 -8.393 -0.369 4.677 1.00 0.65 H new ATOM 0 HA PHE A 123 -8.187 1.936 2.954 1.00 0.72 H new ATOM 0 HB2 PHE A 123 -6.180 0.756 4.890 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -6.193 2.384 4.242 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -8.565 0.129 6.097 1.00 1.10 H new ATOM 0 HD2 PHE A 123 -6.916 4.033 5.678 1.00 1.47 H new ATOM 0 HE1 PHE A 123 -9.884 0.890 8.022 1.00 1.49 H new ATOM 0 HE2 PHE A 123 -8.232 4.796 7.607 1.00 2.04 H new ATOM 0 HZ PHE A 123 -9.717 3.225 8.785 1.00 1.98 H new ATOM 1936 N MET A 124 -7.151 -0.624 1.754 1.00 0.62 N ATOM 1937 CA MET A 124 -6.409 -1.296 0.700 1.00 0.68 C ATOM 1938 C MET A 124 -7.389 -2.081 -0.155 1.00 0.64 C ATOM 1939 O MET A 124 -7.210 -2.239 -1.364 1.00 0.68 O ATOM 1940 CB MET A 124 -5.348 -2.229 1.290 1.00 0.80 C ATOM 1941 CG MET A 124 -4.274 -1.515 2.094 1.00 1.00 C ATOM 1942 SD MET A 124 -3.042 -2.649 2.765 1.00 1.91 S ATOM 1943 CE MET A 124 -1.963 -1.508 3.628 1.00 2.23 C ATOM 0 H MET A 124 -8.008 -1.104 2.031 1.00 0.62 H new ATOM 0 HA MET A 124 -5.893 -0.555 0.089 1.00 0.68 H new ATOM 0 HB2 MET A 124 -5.839 -2.962 1.930 1.00 0.80 H new ATOM 0 HB3 MET A 124 -4.873 -2.781 0.479 1.00 0.80 H new ATOM 0 HG2 MET A 124 -3.779 -0.780 1.460 1.00 1.00 H new ATOM 0 HG3 MET A 124 -4.742 -0.967 2.912 1.00 1.00 H new ATOM 0 HE1 MET A 124 -1.149 -2.061 4.097 1.00 2.23 H new ATOM 0 HE2 MET A 124 -1.552 -0.789 2.919 1.00 2.23 H new ATOM 0 HE3 MET A 124 -2.530 -0.979 4.394 1.00 2.23 H new ATOM 1953 N LEU A 125 -8.445 -2.549 0.500 1.00 0.61 N ATOM 1954 CA LEU A 125 -9.494 -3.305 -0.152 1.00 0.62 C ATOM 1955 C LEU A 125 -10.434 -2.365 -0.900 1.00 0.56 C ATOM 1956 O LEU A 125 -10.965 -2.705 -1.952 1.00 0.63 O ATOM 1957 CB LEU A 125 -10.280 -4.114 0.884 1.00 0.67 C ATOM 1958 CG LEU A 125 -9.502 -5.220 1.616 1.00 0.77 C ATOM 1959 CD1 LEU A 125 -8.988 -6.268 0.641 1.00 1.24 C ATOM 1960 CD2 LEU A 125 -8.351 -4.644 2.412 1.00 1.16 C ATOM 0 H LEU A 125 -8.593 -2.412 1.500 1.00 0.61 H new ATOM 0 HA LEU A 125 -9.039 -3.990 -0.867 1.00 0.62 H new ATOM 0 HB2 LEU A 125 -10.676 -3.424 1.629 1.00 0.67 H new ATOM 0 HB3 LEU A 125 -11.135 -4.570 0.385 1.00 0.67 H new ATOM 0 HG LEU A 125 -10.195 -5.700 2.307 1.00 0.77 H new ATOM 0 HD11 LEU A 125 -8.442 -7.037 1.188 1.00 1.24 H new ATOM 0 HD12 LEU A 125 -9.830 -6.723 0.118 1.00 1.24 H new ATOM 0 HD13 LEU A 125 -8.323 -5.797 -0.083 1.00 1.24 H new ATOM 0 HD21 LEU A 125 -7.820 -5.450 2.918 1.00 1.16 H new ATOM 0 HD22 LEU A 125 -7.668 -4.125 1.740 1.00 1.16 H new ATOM 0 HD23 LEU A 125 -8.736 -3.942 3.152 1.00 1.16 H new ATOM 1972 N TRP A 126 -10.625 -1.174 -0.344 1.00 0.48 N ATOM 1973 CA TRP A 126 -11.492 -0.175 -0.957 1.00 0.48 C ATOM 1974 C TRP A 126 -10.747 0.588 -2.055 1.00 0.47 C ATOM 1975 O TRP A 126 -11.178 0.582 -3.209 1.00 0.48 O ATOM 1976 CB TRP A 126 -12.041 0.785 0.107 1.00 0.52 C ATOM 1977 CG TRP A 126 -12.738 1.990 -0.450 1.00 0.80 C ATOM 1978 CD1 TRP A 126 -12.691 3.246 0.064 1.00 1.33 C ATOM 1979 CD2 TRP A 126 -13.586 2.059 -1.610 1.00 1.45 C ATOM 1980 NE1 TRP A 126 -13.445 4.102 -0.700 1.00 1.82 N ATOM 1981 CE2 TRP A 126 -14.004 3.399 -1.735 1.00 1.88 C ATOM 1982 CE3 TRP A 126 -14.026 1.128 -2.555 1.00 2.11 C ATOM 1983 CZ2 TRP A 126 -14.842 3.825 -2.763 1.00 2.60 C ATOM 1984 CZ3 TRP A 126 -14.857 1.553 -3.574 1.00 2.88 C ATOM 1985 CH2 TRP A 126 -15.256 2.890 -3.671 1.00 3.03 C ATOM 0 H TRP A 126 -10.191 -0.877 0.530 1.00 0.48 H new ATOM 0 HA TRP A 126 -12.336 -0.687 -1.419 1.00 0.48 H new ATOM 0 HB2 TRP A 126 -12.736 0.241 0.746 1.00 0.52 H new ATOM 0 HB3 TRP A 126 -11.218 1.116 0.740 1.00 0.52 H new ATOM 0 HD1 TRP A 126 -12.139 3.531 0.948 1.00 1.33 H new ATOM 0 HE1 TRP A 126 -13.569 5.099 -0.526 1.00 1.82 H new ATOM 0 HE3 TRP A 126 -13.722 0.094 -2.490 1.00 2.11 H new ATOM 0 HZ2 TRP A 126 -15.153 4.856 -2.840 1.00 2.60 H new ATOM 0 HZ3 TRP A 126 -15.204 0.841 -4.308 1.00 2.88 H new ATOM 0 HH2 TRP A 126 -15.905 3.190 -4.480 1.00 3.03 H new ATOM 1996 N PRO A 127 -9.611 1.246 -1.731 1.00 0.50 N ATOM 1997 CA PRO A 127 -8.828 1.982 -2.720 1.00 0.54 C ATOM 1998 C PRO A 127 -8.632 1.175 -3.996 1.00 0.53 C ATOM 1999 O PRO A 127 -8.779 1.698 -5.101 1.00 0.56 O ATOM 2000 CB PRO A 127 -7.477 2.220 -2.024 1.00 0.61 C ATOM 2001 CG PRO A 127 -7.535 1.437 -0.755 1.00 0.61 C ATOM 2002 CD PRO A 127 -8.985 1.323 -0.408 1.00 0.55 C ATOM 0 HA PRO A 127 -9.322 2.904 -3.026 1.00 0.54 H new ATOM 0 HB2 PRO A 127 -6.649 1.889 -2.651 1.00 0.61 H new ATOM 0 HB3 PRO A 127 -7.321 3.280 -1.824 1.00 0.61 H new ATOM 0 HG2 PRO A 127 -7.086 0.452 -0.883 1.00 0.61 H new ATOM 0 HG3 PRO A 127 -6.982 1.939 0.039 1.00 0.61 H new ATOM 0 HD2 PRO A 127 -9.192 0.438 0.193 1.00 0.55 H new ATOM 0 HD3 PRO A 127 -9.337 2.184 0.160 1.00 0.55 H new ATOM 2010 N LEU A 128 -8.317 -0.110 -3.839 1.00 0.53 N ATOM 2011 CA LEU A 128 -8.124 -0.980 -4.988 1.00 0.56 C ATOM 2012 C LEU A 128 -9.462 -1.401 -5.571 1.00 0.54 C ATOM 2013 O LEU A 128 -9.558 -1.694 -6.761 1.00 0.61 O ATOM 2014 CB LEU A 128 -7.335 -2.234 -4.620 1.00 0.63 C ATOM 2015 CG LEU A 128 -7.047 -3.163 -5.807 1.00 0.79 C ATOM 2016 CD1 LEU A 128 -6.152 -2.477 -6.827 1.00 1.42 C ATOM 2017 CD2 LEU A 128 -6.417 -4.462 -5.342 1.00 1.55 C ATOM 0 H LEU A 128 -8.192 -0.564 -2.934 1.00 0.53 H new ATOM 0 HA LEU A 128 -7.558 -0.410 -5.725 1.00 0.56 H new ATOM 0 HB2 LEU A 128 -6.389 -1.936 -4.168 1.00 0.63 H new ATOM 0 HB3 LEU A 128 -7.889 -2.790 -3.863 1.00 0.63 H new ATOM 0 HG LEU A 128 -7.999 -3.396 -6.284 1.00 0.79 H new ATOM 0 HD11 LEU A 128 -5.962 -3.155 -7.659 1.00 1.42 H new ATOM 0 HD12 LEU A 128 -6.645 -1.578 -7.197 1.00 1.42 H new ATOM 0 HD13 LEU A 128 -5.207 -2.205 -6.357 1.00 1.42 H new ATOM 0 HD21 LEU A 128 -6.224 -5.101 -6.203 1.00 1.55 H new ATOM 0 HD22 LEU A 128 -5.478 -4.249 -4.830 1.00 1.55 H new ATOM 0 HD23 LEU A 128 -7.096 -4.971 -4.658 1.00 1.55 H new ATOM 2029 N PHE A 129 -10.500 -1.435 -4.735 1.00 0.50 N ATOM 2030 CA PHE A 129 -11.813 -1.831 -5.219 1.00 0.51 C ATOM 2031 C PHE A 129 -12.282 -0.848 -6.287 1.00 0.53 C ATOM 2032 O PHE A 129 -13.216 -1.118 -7.032 1.00 0.70 O ATOM 2033 CB PHE A 129 -12.850 -1.913 -4.105 1.00 0.49 C ATOM 2034 CG PHE A 129 -13.991 -2.828 -4.468 1.00 0.54 C ATOM 2035 CD1 PHE A 129 -13.883 -4.203 -4.283 1.00 0.60 C ATOM 2036 CD2 PHE A 129 -15.162 -2.319 -5.003 1.00 0.62 C ATOM 2037 CE1 PHE A 129 -14.924 -5.045 -4.626 1.00 0.71 C ATOM 2038 CE2 PHE A 129 -16.203 -3.159 -5.351 1.00 0.73 C ATOM 2039 CZ PHE A 129 -16.083 -4.523 -5.164 1.00 0.75 C ATOM 0 H PHE A 129 -10.456 -1.199 -3.744 1.00 0.50 H new ATOM 0 HA PHE A 129 -11.714 -2.831 -5.640 1.00 0.51 H new ATOM 0 HB2 PHE A 129 -12.374 -2.270 -3.191 1.00 0.49 H new ATOM 0 HB3 PHE A 129 -13.237 -0.916 -3.894 1.00 0.49 H new ATOM 0 HD1 PHE A 129 -12.976 -4.617 -3.867 1.00 0.60 H new ATOM 0 HD2 PHE A 129 -15.263 -1.254 -5.150 1.00 0.62 H new ATOM 0 HE1 PHE A 129 -14.831 -6.110 -4.473 1.00 0.71 H new ATOM 0 HE2 PHE A 129 -17.111 -2.749 -5.769 1.00 0.73 H new ATOM 0 HZ PHE A 129 -16.895 -5.180 -5.439 1.00 0.75 H new ATOM 2049 N GLU A 130 -11.618 0.306 -6.347 1.00 0.43 N ATOM 2050 CA GLU A 130 -11.957 1.338 -7.322 1.00 0.49 C ATOM 2051 C GLU A 130 -11.095 1.196 -8.576 1.00 0.53 C ATOM 2052 O GLU A 130 -11.615 1.134 -9.691 1.00 0.68 O ATOM 2053 CB GLU A 130 -11.772 2.728 -6.700 1.00 0.54 C ATOM 2054 CG GLU A 130 -12.329 3.869 -7.542 1.00 0.99 C ATOM 2055 CD GLU A 130 -11.571 4.079 -8.839 1.00 1.63 C ATOM 2056 OE1 GLU A 130 -10.358 4.369 -8.777 1.00 2.40 O ATOM 2057 OE2 GLU A 130 -12.192 3.954 -9.916 1.00 2.04 O ATOM 0 H GLU A 130 -10.842 0.548 -5.731 1.00 0.43 H new ATOM 0 HA GLU A 130 -13.001 1.217 -7.610 1.00 0.49 H new ATOM 0 HB2 GLU A 130 -12.255 2.743 -5.723 1.00 0.54 H new ATOM 0 HB3 GLU A 130 -10.709 2.900 -6.533 1.00 0.54 H new ATOM 0 HG2 GLU A 130 -13.376 3.667 -7.769 1.00 0.99 H new ATOM 0 HG3 GLU A 130 -12.301 4.790 -6.959 1.00 0.99 H new ATOM 2064 N ILE A 131 -9.778 1.145 -8.387 1.00 0.48 N ATOM 2065 CA ILE A 131 -8.848 1.008 -9.505 1.00 0.56 C ATOM 2066 C ILE A 131 -8.831 -0.420 -10.044 1.00 0.52 C ATOM 2067 O ILE A 131 -8.192 -0.699 -11.058 1.00 0.64 O ATOM 2068 CB ILE A 131 -7.417 1.416 -9.110 1.00 0.77 C ATOM 2069 CG1 ILE A 131 -6.914 0.552 -7.954 1.00 0.77 C ATOM 2070 CG2 ILE A 131 -7.371 2.891 -8.736 1.00 1.55 C ATOM 2071 CD1 ILE A 131 -5.466 0.809 -7.594 1.00 1.41 C ATOM 0 H ILE A 131 -9.332 1.196 -7.471 1.00 0.48 H new ATOM 0 HA ILE A 131 -9.203 1.681 -10.286 1.00 0.56 H new ATOM 0 HB ILE A 131 -6.762 1.257 -9.967 1.00 0.77 H new ATOM 0 HG12 ILE A 131 -7.536 0.734 -7.077 1.00 0.77 H new ATOM 0 HG13 ILE A 131 -7.034 -0.499 -8.217 1.00 0.77 H new ATOM 0 HG21 ILE A 131 -6.353 3.165 -8.459 1.00 1.55 H new ATOM 0 HG22 ILE A 131 -7.689 3.492 -9.587 1.00 1.55 H new ATOM 0 HG23 ILE A 131 -8.038 3.074 -7.893 1.00 1.55 H new ATOM 0 HD11 ILE A 131 -5.176 0.162 -6.766 1.00 1.41 H new ATOM 0 HD12 ILE A 131 -4.834 0.599 -8.457 1.00 1.41 H new ATOM 0 HD13 ILE A 131 -5.344 1.851 -7.299 1.00 1.41 H new ATOM 2083 N ALA A 132 -9.533 -1.325 -9.360 1.00 0.53 N ATOM 2084 CA ALA A 132 -9.588 -2.723 -9.780 1.00 0.58 C ATOM 2085 C ALA A 132 -10.603 -3.527 -8.961 1.00 0.56 C ATOM 2086 O ALA A 132 -10.224 -4.365 -8.141 1.00 0.63 O ATOM 2087 CB ALA A 132 -8.208 -3.356 -9.674 1.00 0.73 C ATOM 0 H ALA A 132 -10.068 -1.115 -8.517 1.00 0.53 H new ATOM 0 HA ALA A 132 -9.917 -2.742 -10.819 1.00 0.58 H new ATOM 0 HB1 ALA A 132 -8.260 -4.398 -9.989 1.00 0.73 H new ATOM 0 HB2 ALA A 132 -7.510 -2.817 -10.315 1.00 0.73 H new ATOM 0 HB3 ALA A 132 -7.863 -3.307 -8.641 1.00 0.73 H new ATOM 2093 N PRO A 133 -11.913 -3.297 -9.184 1.00 0.63 N ATOM 2094 CA PRO A 133 -12.977 -4.018 -8.475 1.00 0.66 C ATOM 2095 C PRO A 133 -13.211 -5.405 -9.066 1.00 0.88 C ATOM 2096 O PRO A 133 -14.346 -5.879 -9.125 1.00 1.24 O ATOM 2097 CB PRO A 133 -14.205 -3.145 -8.722 1.00 0.79 C ATOM 2098 CG PRO A 133 -13.951 -2.512 -10.047 1.00 0.82 C ATOM 2099 CD PRO A 133 -12.460 -2.326 -10.152 1.00 0.81 C ATOM 0 HA PRO A 133 -12.740 -4.175 -7.423 1.00 0.66 H new ATOM 0 HB2 PRO A 133 -15.119 -3.739 -8.734 1.00 0.79 H new ATOM 0 HB3 PRO A 133 -14.323 -2.395 -7.940 1.00 0.79 H new ATOM 0 HG2 PRO A 133 -14.321 -3.142 -10.856 1.00 0.82 H new ATOM 0 HG3 PRO A 133 -14.468 -1.556 -10.126 1.00 0.82 H new ATOM 0 HD2 PRO A 133 -12.103 -2.524 -11.162 1.00 0.81 H new ATOM 0 HD3 PRO A 133 -12.166 -1.306 -9.904 1.00 0.81 H new ATOM 2107 N GLU A 134 -12.138 -6.045 -9.522 1.00 0.90 N ATOM 2108 CA GLU A 134 -12.242 -7.366 -10.129 1.00 1.12 C ATOM 2109 C GLU A 134 -11.202 -8.324 -9.563 1.00 1.08 C ATOM 2110 O GLU A 134 -11.304 -9.535 -9.747 1.00 1.25 O ATOM 2111 CB GLU A 134 -12.082 -7.263 -11.647 1.00 1.34 C ATOM 2112 CG GLU A 134 -13.141 -6.401 -12.313 1.00 1.87 C ATOM 2113 CD GLU A 134 -12.967 -6.324 -13.818 1.00 2.20 C ATOM 2114 OE1 GLU A 134 -11.904 -5.849 -14.271 1.00 2.50 O ATOM 2115 OE2 GLU A 134 -13.896 -6.737 -14.543 1.00 2.61 O ATOM 0 H GLU A 134 -11.190 -5.671 -9.482 1.00 0.90 H new ATOM 0 HA GLU A 134 -13.230 -7.762 -9.894 1.00 1.12 H new ATOM 0 HB2 GLU A 134 -11.097 -6.854 -11.873 1.00 1.34 H new ATOM 0 HB3 GLU A 134 -12.118 -8.264 -12.076 1.00 1.34 H new ATOM 0 HG2 GLU A 134 -14.128 -6.803 -12.085 1.00 1.87 H new ATOM 0 HG3 GLU A 134 -13.102 -5.395 -11.894 1.00 1.87 H new ATOM 2122 N LEU A 135 -10.203 -7.783 -8.870 1.00 0.99 N ATOM 2123 CA LEU A 135 -9.165 -8.617 -8.281 1.00 1.03 C ATOM 2124 C LEU A 135 -9.763 -9.519 -7.208 1.00 1.50 C ATOM 2125 O LEU A 135 -10.100 -9.067 -6.116 1.00 2.32 O ATOM 2126 CB LEU A 135 -8.037 -7.758 -7.703 1.00 1.00 C ATOM 2127 CG LEU A 135 -6.957 -8.536 -6.945 1.00 1.43 C ATOM 2128 CD1 LEU A 135 -6.422 -9.682 -7.793 1.00 2.07 C ATOM 2129 CD2 LEU A 135 -5.825 -7.606 -6.538 1.00 2.26 C ATOM 0 H LEU A 135 -10.093 -6.783 -8.705 1.00 0.99 H new ATOM 0 HA LEU A 135 -8.739 -9.244 -9.064 1.00 1.03 H new ATOM 0 HB2 LEU A 135 -7.564 -7.209 -8.517 1.00 1.00 H new ATOM 0 HB3 LEU A 135 -8.471 -7.019 -7.030 1.00 1.00 H new ATOM 0 HG LEU A 135 -7.405 -8.957 -6.045 1.00 1.43 H new ATOM 0 HD11 LEU A 135 -5.656 -10.221 -7.235 1.00 2.07 H new ATOM 0 HD12 LEU A 135 -7.237 -10.362 -8.041 1.00 2.07 H new ATOM 0 HD13 LEU A 135 -5.990 -9.284 -8.711 1.00 2.07 H new ATOM 0 HD21 LEU A 135 -5.065 -8.172 -6.000 1.00 2.26 H new ATOM 0 HD22 LEU A 135 -5.383 -7.160 -7.429 1.00 2.26 H new ATOM 0 HD23 LEU A 135 -6.215 -6.819 -5.893 1.00 2.26 H new ATOM 2141 N VAL A 136 -9.905 -10.794 -7.549 1.00 1.65 N ATOM 2142 CA VAL A 136 -10.484 -11.785 -6.648 1.00 2.11 C ATOM 2143 C VAL A 136 -10.133 -13.196 -7.097 1.00 1.98 C ATOM 2144 O VAL A 136 -10.232 -13.503 -8.285 1.00 2.82 O ATOM 2145 CB VAL A 136 -12.021 -11.653 -6.597 1.00 2.85 C ATOM 2146 CG1 VAL A 136 -12.597 -11.587 -8.003 1.00 3.55 C ATOM 2147 CG2 VAL A 136 -12.639 -12.813 -5.831 1.00 3.66 C ATOM 0 H VAL A 136 -9.623 -11.170 -8.454 1.00 1.65 H new ATOM 0 HA VAL A 136 -10.069 -11.602 -5.657 1.00 2.11 H new ATOM 0 HB VAL A 136 -12.263 -10.727 -6.075 1.00 2.85 H new ATOM 0 HG11 VAL A 136 -13.682 -11.494 -7.948 1.00 3.55 H new ATOM 0 HG12 VAL A 136 -12.185 -10.723 -8.525 1.00 3.55 H new ATOM 0 HG13 VAL A 136 -12.338 -12.496 -8.545 1.00 3.55 H new ATOM 0 HG21 VAL A 136 -13.723 -12.698 -5.809 1.00 3.66 H new ATOM 0 HG22 VAL A 136 -12.384 -13.751 -6.323 1.00 3.66 H new ATOM 0 HG23 VAL A 136 -12.254 -12.822 -4.811 1.00 3.66 H new ATOM 2157 N PHE A 137 -9.758 -14.046 -6.129 1.00 1.34 N ATOM 2158 CA PHE A 137 -9.407 -15.459 -6.387 1.00 1.66 C ATOM 2159 C PHE A 137 -8.302 -15.974 -5.460 1.00 1.18 C ATOM 2160 O PHE A 137 -8.425 -17.069 -4.911 1.00 1.57 O ATOM 2161 CB PHE A 137 -8.975 -15.705 -7.839 1.00 2.23 C ATOM 2162 CG PHE A 137 -8.686 -17.151 -8.141 1.00 3.15 C ATOM 2163 CD1 PHE A 137 -9.600 -18.137 -7.809 1.00 3.49 C ATOM 2164 CD2 PHE A 137 -7.502 -17.523 -8.759 1.00 3.88 C ATOM 2165 CE1 PHE A 137 -9.341 -19.466 -8.086 1.00 4.44 C ATOM 2166 CE2 PHE A 137 -7.237 -18.851 -9.040 1.00 4.85 C ATOM 2167 CZ PHE A 137 -8.146 -19.822 -8.696 1.00 5.09 C ATOM 0 H PHE A 137 -9.688 -13.779 -5.147 1.00 1.34 H new ATOM 0 HA PHE A 137 -10.326 -16.010 -6.187 1.00 1.66 H new ATOM 0 HB2 PHE A 137 -9.759 -15.352 -8.508 1.00 2.23 H new ATOM 0 HB3 PHE A 137 -8.085 -15.113 -8.051 1.00 2.23 H new ATOM 0 HD1 PHE A 137 -10.527 -17.864 -7.327 1.00 3.49 H new ATOM 0 HD2 PHE A 137 -6.778 -16.767 -9.024 1.00 3.88 H new ATOM 0 HE1 PHE A 137 -10.065 -20.225 -7.829 1.00 4.44 H new ATOM 0 HE2 PHE A 137 -6.315 -19.125 -9.530 1.00 4.85 H new ATOM 0 HZ PHE A 137 -7.931 -20.861 -8.900 1.00 5.09 H new ATOM 2177 N PRO A 138 -7.202 -15.211 -5.278 1.00 0.88 N ATOM 2178 CA PRO A 138 -6.089 -15.634 -4.416 1.00 0.92 C ATOM 2179 C PRO A 138 -6.592 -16.209 -3.103 1.00 1.20 C ATOM 2180 O PRO A 138 -6.200 -17.303 -2.693 1.00 1.94 O ATOM 2181 CB PRO A 138 -5.322 -14.334 -4.198 1.00 1.24 C ATOM 2182 CG PRO A 138 -5.541 -13.575 -5.457 1.00 1.68 C ATOM 2183 CD PRO A 138 -6.949 -13.890 -5.884 1.00 1.44 C ATOM 0 HA PRO A 138 -5.481 -16.426 -4.853 1.00 0.92 H new ATOM 0 HB2 PRO A 138 -5.698 -13.789 -3.332 1.00 1.24 H new ATOM 0 HB3 PRO A 138 -4.262 -14.520 -4.023 1.00 1.24 H new ATOM 0 HG2 PRO A 138 -5.411 -12.505 -5.296 1.00 1.68 H new ATOM 0 HG3 PRO A 138 -4.824 -13.872 -6.223 1.00 1.68 H new ATOM 0 HD2 PRO A 138 -7.655 -13.141 -5.525 1.00 1.44 H new ATOM 0 HD3 PRO A 138 -7.042 -13.921 -6.970 1.00 1.44 H new ATOM 2191 N ASP A 139 -7.493 -15.475 -2.471 1.00 1.07 N ATOM 2192 CA ASP A 139 -8.104 -15.903 -1.223 1.00 1.62 C ATOM 2193 C ASP A 139 -9.563 -16.265 -1.477 1.00 1.65 C ATOM 2194 O ASP A 139 -10.272 -16.726 -0.584 1.00 2.28 O ATOM 2195 CB ASP A 139 -7.999 -14.799 -0.169 1.00 2.26 C ATOM 2196 CG ASP A 139 -8.628 -13.499 -0.630 1.00 2.93 C ATOM 2197 OD1 ASP A 139 -9.856 -13.479 -0.849 1.00 3.20 O ATOM 2198 OD2 ASP A 139 -7.894 -12.500 -0.768 1.00 3.67 O ATOM 0 H ASP A 139 -7.821 -14.569 -2.807 1.00 1.07 H new ATOM 0 HA ASP A 139 -7.577 -16.779 -0.845 1.00 1.62 H new ATOM 0 HB2 ASP A 139 -8.485 -15.129 0.749 1.00 2.26 H new ATOM 0 HB3 ASP A 139 -6.950 -14.627 0.070 1.00 2.26 H new ATOM 2203 N GLY A 140 -9.994 -16.042 -2.718 1.00 1.25 N ATOM 2204 CA GLY A 140 -11.358 -16.336 -3.114 1.00 1.72 C ATOM 2205 C GLY A 140 -12.294 -15.191 -2.841 1.00 1.31 C ATOM 2206 O GLY A 140 -13.507 -15.377 -2.745 1.00 1.85 O ATOM 0 H GLY A 140 -9.412 -15.658 -3.463 1.00 1.25 H new ATOM 0 HA2 GLY A 140 -11.381 -16.575 -4.177 1.00 1.72 H new ATOM 0 HA3 GLY A 140 -11.706 -17.221 -2.581 1.00 1.72 H new ATOM 2210 N GLU A 141 -11.729 -13.999 -2.729 1.00 0.75 N ATOM 2211 CA GLU A 141 -12.518 -12.809 -2.473 1.00 0.94 C ATOM 2212 C GLU A 141 -11.871 -11.584 -3.086 1.00 0.82 C ATOM 2213 O GLU A 141 -10.646 -11.462 -3.107 1.00 1.19 O ATOM 2214 CB GLU A 141 -12.662 -12.564 -0.974 1.00 1.56 C ATOM 2215 CG GLU A 141 -13.192 -13.747 -0.183 1.00 1.38 C ATOM 2216 CD GLU A 141 -14.637 -14.087 -0.500 1.00 2.16 C ATOM 2217 OE1 GLU A 141 -15.226 -13.428 -1.383 1.00 2.97 O ATOM 2218 OE2 GLU A 141 -15.179 -15.019 0.132 1.00 2.47 O ATOM 0 H GLU A 141 -10.726 -13.832 -2.812 1.00 0.75 H new ATOM 0 HA GLU A 141 -13.497 -12.975 -2.921 1.00 0.94 H new ATOM 0 HB2 GLU A 141 -11.689 -12.282 -0.571 1.00 1.56 H new ATOM 0 HB3 GLU A 141 -13.328 -11.715 -0.821 1.00 1.56 H new ATOM 0 HG2 GLU A 141 -12.569 -14.618 -0.386 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -13.103 -13.532 0.882 1.00 1.38 H new ATOM 2225 N MET A 142 -12.704 -10.655 -3.534 1.00 0.57 N ATOM 2226 CA MET A 142 -12.212 -9.405 -4.085 1.00 0.54 C ATOM 2227 C MET A 142 -11.489 -8.665 -2.991 1.00 0.58 C ATOM 2228 O MET A 142 -11.060 -9.252 -2.009 1.00 0.92 O ATOM 2229 CB MET A 142 -13.356 -8.523 -4.583 1.00 0.57 C ATOM 2230 CG MET A 142 -14.133 -9.113 -5.730 1.00 0.67 C ATOM 2231 SD MET A 142 -15.508 -8.071 -6.253 1.00 1.32 S ATOM 2232 CE MET A 142 -16.206 -9.069 -7.566 1.00 1.58 C ATOM 0 H MET A 142 -13.720 -10.745 -3.526 1.00 0.57 H new ATOM 0 HA MET A 142 -11.557 -9.629 -4.927 1.00 0.54 H new ATOM 0 HB2 MET A 142 -14.039 -8.331 -3.756 1.00 0.57 H new ATOM 0 HB3 MET A 142 -12.950 -7.559 -4.891 1.00 0.57 H new ATOM 0 HG2 MET A 142 -13.462 -9.271 -6.574 1.00 0.67 H new ATOM 0 HG3 MET A 142 -14.515 -10.091 -5.439 1.00 0.67 H new ATOM 0 HE1 MET A 142 -17.069 -8.558 -7.992 1.00 1.58 H new ATOM 0 HE2 MET A 142 -15.457 -9.225 -8.342 1.00 1.58 H new ATOM 0 HE3 MET A 142 -16.518 -10.033 -7.164 1.00 1.58 H new ATOM 2242 N LEU A 143 -11.382 -7.375 -3.143 1.00 0.55 N ATOM 2243 CA LEU A 143 -10.751 -6.563 -2.137 1.00 0.62 C ATOM 2244 C LEU A 143 -11.742 -6.138 -1.076 1.00 0.56 C ATOM 2245 O LEU A 143 -11.702 -6.551 0.085 1.00 0.60 O ATOM 2246 CB LEU A 143 -10.185 -5.297 -2.750 1.00 0.76 C ATOM 2247 CG LEU A 143 -8.990 -5.464 -3.660 1.00 0.81 C ATOM 2248 CD1 LEU A 143 -7.873 -6.224 -2.955 1.00 1.54 C ATOM 2249 CD2 LEU A 143 -9.386 -6.152 -4.959 1.00 1.70 C ATOM 0 H LEU A 143 -11.724 -6.861 -3.955 1.00 0.55 H new ATOM 0 HA LEU A 143 -9.960 -7.169 -1.695 1.00 0.62 H new ATOM 0 HB2 LEU A 143 -10.978 -4.807 -3.315 1.00 0.76 H new ATOM 0 HB3 LEU A 143 -9.906 -4.622 -1.941 1.00 0.76 H new ATOM 0 HG LEU A 143 -8.615 -4.472 -3.910 1.00 0.81 H new ATOM 0 HD11 LEU A 143 -7.024 -6.332 -3.630 1.00 1.54 H new ATOM 0 HD12 LEU A 143 -7.563 -5.674 -2.067 1.00 1.54 H new ATOM 0 HD13 LEU A 143 -8.232 -7.211 -2.663 1.00 1.54 H new ATOM 0 HD21 LEU A 143 -8.508 -6.260 -5.596 1.00 1.70 H new ATOM 0 HD22 LEU A 143 -9.798 -7.137 -4.738 1.00 1.70 H new ATOM 0 HD23 LEU A 143 -10.136 -5.552 -5.474 1.00 1.70 H new ATOM 2261 N ARG A 144 -12.594 -5.232 -1.506 1.00 0.53 N ATOM 2262 CA ARG A 144 -13.568 -4.613 -0.647 1.00 0.52 C ATOM 2263 C ARG A 144 -14.719 -5.510 -0.239 1.00 0.61 C ATOM 2264 O ARG A 144 -15.050 -5.556 0.926 1.00 0.69 O ATOM 2265 CB ARG A 144 -14.107 -3.339 -1.286 1.00 0.53 C ATOM 2266 CG ARG A 144 -15.153 -2.631 -0.436 1.00 0.58 C ATOM 2267 CD ARG A 144 -15.811 -1.476 -1.173 1.00 0.85 C ATOM 2268 NE ARG A 144 -16.719 -1.933 -2.221 1.00 1.18 N ATOM 2269 CZ ARG A 144 -17.508 -1.119 -2.919 1.00 1.39 C ATOM 2270 NH1 ARG A 144 -17.493 0.186 -2.684 1.00 1.59 N ATOM 2271 NH2 ARG A 144 -18.314 -1.610 -3.849 1.00 2.16 N ATOM 0 H ARG A 144 -12.626 -4.905 -2.472 1.00 0.53 H new ATOM 0 HA ARG A 144 -13.031 -4.384 0.273 1.00 0.52 H new ATOM 0 HB2 ARG A 144 -13.278 -2.656 -1.472 1.00 0.53 H new ATOM 0 HB3 ARG A 144 -14.542 -3.584 -2.255 1.00 0.53 H new ATOM 0 HG2 ARG A 144 -15.917 -3.347 -0.132 1.00 0.58 H new ATOM 0 HG3 ARG A 144 -14.685 -2.258 0.475 1.00 0.58 H new ATOM 0 HD2 ARG A 144 -16.361 -0.860 -0.462 1.00 0.85 H new ATOM 0 HD3 ARG A 144 -15.041 -0.843 -1.613 1.00 0.85 H new ATOM 0 HE ARG A 144 -16.751 -2.931 -2.430 1.00 1.18 H new ATOM 0 HH11 ARG A 144 -16.876 0.568 -1.967 1.00 1.59 H new ATOM 0 HH12 ARG A 144 -18.098 0.808 -3.220 1.00 1.59 H new ATOM 0 HH21 ARG A 144 -18.331 -2.613 -4.031 1.00 2.16 H new ATOM 0 HH22 ARG A 144 -18.918 -0.985 -4.383 1.00 2.16 H new ATOM 2285 N GLN A 145 -15.355 -6.186 -1.175 1.00 0.76 N ATOM 2286 CA GLN A 145 -16.498 -7.023 -0.822 1.00 0.92 C ATOM 2287 C GLN A 145 -16.210 -7.852 0.446 1.00 0.89 C ATOM 2288 O GLN A 145 -17.126 -8.147 1.212 1.00 0.97 O ATOM 2289 CB GLN A 145 -16.916 -7.900 -2.015 1.00 1.21 C ATOM 2290 CG GLN A 145 -16.685 -9.386 -1.825 1.00 0.96 C ATOM 2291 CD GLN A 145 -15.231 -9.727 -1.601 1.00 1.54 C ATOM 2292 OE1 GLN A 145 -14.360 -8.734 -1.740 1.00 2.27 O flip ATOM 2293 NE2 GLN A 145 -14.895 -10.869 -1.320 1.00 1.87 N flip ATOM 0 H GLN A 145 -15.112 -6.178 -2.166 1.00 0.76 H new ATOM 0 HA GLN A 145 -17.343 -6.376 -0.586 1.00 0.92 H new ATOM 0 HB2 GLN A 145 -17.974 -7.734 -2.216 1.00 1.21 H new ATOM 0 HB3 GLN A 145 -16.368 -7.572 -2.898 1.00 1.21 H new ATOM 0 HG2 GLN A 145 -17.271 -9.734 -0.974 1.00 0.96 H new ATOM 0 HG3 GLN A 145 -17.048 -9.921 -2.703 1.00 0.96 H new ATOM 0 HE21 GLN A 145 -15.601 -11.599 -1.224 1.00 1.87 H new ATOM 0 HE22 GLN A 145 -13.909 -11.091 -1.182 1.00 1.87 H new ATOM 2302 N ILE A 146 -14.932 -8.183 0.699 1.00 0.85 N ATOM 2303 CA ILE A 146 -14.580 -8.928 1.910 1.00 0.90 C ATOM 2304 C ILE A 146 -14.520 -7.992 3.101 1.00 0.85 C ATOM 2305 O ILE A 146 -15.117 -8.255 4.143 1.00 1.01 O ATOM 2306 CB ILE A 146 -13.211 -9.633 1.859 1.00 0.95 C ATOM 2307 CG1 ILE A 146 -12.480 -9.399 0.547 1.00 1.06 C ATOM 2308 CG2 ILE A 146 -13.381 -11.123 2.111 1.00 1.24 C ATOM 2309 CD1 ILE A 146 -11.041 -9.870 0.597 1.00 1.06 C ATOM 0 H ILE A 146 -14.145 -7.951 0.094 1.00 0.85 H new ATOM 0 HA ILE A 146 -15.359 -9.685 1.994 1.00 0.90 H new ATOM 0 HB ILE A 146 -12.596 -9.197 2.646 1.00 0.95 H new ATOM 0 HG12 ILE A 146 -13.003 -9.920 -0.255 1.00 1.06 H new ATOM 0 HG13 ILE A 146 -12.504 -8.336 0.305 1.00 1.06 H new ATOM 0 HG21 ILE A 146 -12.408 -11.612 2.073 1.00 1.24 H new ATOM 0 HG22 ILE A 146 -13.826 -11.277 3.094 1.00 1.24 H new ATOM 0 HG23 ILE A 146 -14.031 -11.549 1.347 1.00 1.24 H new ATOM 0 HD11 ILE A 146 -10.563 -9.681 -0.364 1.00 1.06 H new ATOM 0 HD12 ILE A 146 -10.508 -9.330 1.380 1.00 1.06 H new ATOM 0 HD13 ILE A 146 -11.015 -10.938 0.811 1.00 1.06 H new ATOM 2321 N LEU A 147 -13.767 -6.902 2.944 1.00 0.72 N ATOM 2322 CA LEU A 147 -13.601 -5.935 4.025 1.00 0.75 C ATOM 2323 C LEU A 147 -14.865 -5.106 4.198 1.00 0.71 C ATOM 2324 O LEU A 147 -15.067 -4.437 5.207 1.00 0.81 O ATOM 2325 CB LEU A 147 -12.354 -5.072 3.755 1.00 0.92 C ATOM 2326 CG LEU A 147 -12.547 -3.603 3.336 1.00 0.82 C ATOM 2327 CD1 LEU A 147 -13.389 -3.463 2.094 1.00 1.36 C ATOM 2328 CD2 LEU A 147 -13.110 -2.754 4.467 1.00 1.66 C ATOM 0 H LEU A 147 -13.267 -6.670 2.086 1.00 0.72 H new ATOM 0 HA LEU A 147 -13.442 -6.456 4.969 1.00 0.75 H new ATOM 0 HB2 LEU A 147 -11.744 -5.080 4.659 1.00 0.92 H new ATOM 0 HB3 LEU A 147 -11.774 -5.565 2.975 1.00 0.92 H new ATOM 0 HG LEU A 147 -11.552 -3.227 3.099 1.00 0.82 H new ATOM 0 HD11 LEU A 147 -13.494 -2.408 1.843 1.00 1.36 H new ATOM 0 HD12 LEU A 147 -12.909 -3.987 1.268 1.00 1.36 H new ATOM 0 HD13 LEU A 147 -14.375 -3.893 2.272 1.00 1.36 H new ATOM 0 HD21 LEU A 147 -13.229 -1.726 4.125 1.00 1.66 H new ATOM 0 HD22 LEU A 147 -14.079 -3.150 4.772 1.00 1.66 H new ATOM 0 HD23 LEU A 147 -12.426 -2.778 5.315 1.00 1.66 H new ATOM 2340 N HIS A 148 -15.726 -5.185 3.212 1.00 0.71 N ATOM 2341 CA HIS A 148 -16.983 -4.477 3.235 1.00 0.76 C ATOM 2342 C HIS A 148 -17.959 -5.259 4.089 1.00 0.83 C ATOM 2343 O HIS A 148 -18.823 -4.697 4.761 1.00 0.92 O ATOM 2344 CB HIS A 148 -17.489 -4.298 1.803 1.00 0.79 C ATOM 2345 CG HIS A 148 -18.821 -3.615 1.699 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -19.536 -2.920 2.615 1.00 1.04 N flip ATOM 2347 CD2 HIS A 148 -19.557 -3.575 0.534 1.00 1.02 C flip ATOM 2348 CE1 HIS A 148 -20.678 -2.478 1.994 1.00 1.20 C flip ATOM 2349 NE2 HIS A 148 -20.666 -2.885 0.739 1.00 1.19 N flip ATOM 0 H HIS A 148 -15.575 -5.742 2.371 1.00 0.71 H new ATOM 0 HA HIS A 148 -16.867 -3.484 3.668 1.00 0.76 H new ATOM 0 HB2 HIS A 148 -16.754 -3.723 1.240 1.00 0.79 H new ATOM 0 HB3 HIS A 148 -17.558 -5.277 1.330 1.00 0.79 H new ATOM 0 HD2 HIS A 148 -19.272 -4.036 -0.400 1.00 1.02 H new ATOM 0 HE1 HIS A 148 -21.459 -1.893 2.457 1.00 1.20 H new ATOM 0 HE2 HIS A 148 -21.390 -2.699 0.045 1.00 1.19 H new ATOM 2358 N THR A 149 -17.781 -6.570 4.074 1.00 0.86 N ATOM 2359 CA THR A 149 -18.612 -7.464 4.858 1.00 0.97 C ATOM 2360 C THR A 149 -17.934 -7.823 6.181 1.00 1.00 C ATOM 2361 O THR A 149 -18.580 -8.325 7.101 1.00 1.13 O ATOM 2362 CB THR A 149 -18.888 -8.742 4.069 1.00 1.02 C ATOM 2363 OG1 THR A 149 -17.676 -9.404 3.752 1.00 1.35 O ATOM 2364 CG2 THR A 149 -19.631 -8.501 2.772 1.00 1.48 C ATOM 0 H THR A 149 -17.063 -7.040 3.523 1.00 0.86 H new ATOM 0 HA THR A 149 -19.550 -6.953 5.074 1.00 0.97 H new ATOM 0 HB THR A 149 -19.516 -9.351 4.719 1.00 1.02 H new ATOM 0 HG1 THR A 149 -17.344 -9.082 2.888 1.00 1.35 H new ATOM 0 HG21 THR A 149 -19.793 -9.451 2.264 1.00 1.48 H new ATOM 0 HG22 THR A 149 -20.593 -8.035 2.985 1.00 1.48 H new ATOM 0 HG23 THR A 149 -19.043 -7.843 2.132 1.00 1.48 H new ATOM 2372 N ARG A 150 -16.625 -7.588 6.260 1.00 0.91 N ATOM 2373 CA ARG A 150 -15.861 -7.918 7.463 1.00 0.97 C ATOM 2374 C ARG A 150 -15.300 -6.687 8.179 1.00 0.97 C ATOM 2375 O ARG A 150 -15.225 -6.668 9.408 1.00 1.16 O ATOM 2376 CB ARG A 150 -14.715 -8.869 7.106 1.00 1.01 C ATOM 2377 CG ARG A 150 -15.182 -10.219 6.585 1.00 1.12 C ATOM 2378 CD ARG A 150 -15.859 -11.034 7.675 1.00 1.43 C ATOM 2379 NE ARG A 150 -16.417 -12.285 7.166 1.00 1.84 N ATOM 2380 CZ ARG A 150 -15.686 -13.267 6.644 1.00 2.15 C ATOM 2381 NH1 ARG A 150 -14.365 -13.161 6.583 1.00 2.45 N ATOM 2382 NH2 ARG A 150 -16.281 -14.362 6.187 1.00 2.86 N ATOM 0 H ARG A 150 -16.073 -7.172 5.509 1.00 0.91 H new ATOM 0 HA ARG A 150 -16.556 -8.398 8.152 1.00 0.97 H new ATOM 0 HB2 ARG A 150 -14.084 -8.397 6.353 1.00 1.01 H new ATOM 0 HB3 ARG A 150 -14.095 -9.025 7.989 1.00 1.01 H new ATOM 0 HG2 ARG A 150 -15.875 -10.070 5.757 1.00 1.12 H new ATOM 0 HG3 ARG A 150 -14.330 -10.773 6.192 1.00 1.12 H new ATOM 0 HD2 ARG A 150 -15.138 -11.254 8.462 1.00 1.43 H new ATOM 0 HD3 ARG A 150 -16.654 -10.442 8.128 1.00 1.43 H new ATOM 0 HE ARG A 150 -17.428 -12.413 7.214 1.00 1.84 H new ATOM 0 HH11 ARG A 150 -13.904 -12.323 6.937 1.00 2.45 H new ATOM 0 HH12 ARG A 150 -13.811 -13.917 6.182 1.00 2.45 H new ATOM 0 HH21 ARG A 150 -17.296 -14.449 6.236 1.00 2.86 H new ATOM 0 HH22 ARG A 150 -15.723 -15.116 5.786 1.00 2.86 H new ATOM 2396 N ALA A 151 -14.875 -5.674 7.425 1.00 0.88 N ATOM 2397 CA ALA A 151 -14.294 -4.477 8.040 1.00 0.91 C ATOM 2398 C ALA A 151 -15.198 -3.248 7.909 1.00 0.92 C ATOM 2399 O ALA A 151 -16.239 -3.171 8.562 1.00 1.18 O ATOM 2400 CB ALA A 151 -12.918 -4.204 7.453 1.00 0.89 C ATOM 0 H ALA A 151 -14.919 -5.655 6.406 1.00 0.88 H new ATOM 0 HA ALA A 151 -14.196 -4.675 9.107 1.00 0.91 H new ATOM 0 HB1 ALA A 151 -12.495 -3.313 7.916 1.00 0.89 H new ATOM 0 HB2 ALA A 151 -12.266 -5.056 7.643 1.00 0.89 H new ATOM 0 HB3 ALA A 151 -13.006 -4.047 6.378 1.00 0.89 H new ATOM 2406 N PHE A 152 -14.798 -2.280 7.076 1.00 0.79 N ATOM 2407 CA PHE A 152 -15.579 -1.068 6.893 1.00 0.99 C ATOM 2408 C PHE A 152 -16.503 -1.232 5.697 1.00 0.88 C ATOM 2409 O PHE A 152 -16.588 -2.312 5.123 1.00 1.32 O ATOM 2410 CB PHE A 152 -14.635 0.126 6.701 1.00 1.26 C ATOM 2411 CG PHE A 152 -15.280 1.469 6.906 1.00 2.02 C ATOM 2412 CD1 PHE A 152 -16.163 1.673 7.953 1.00 2.81 C ATOM 2413 CD2 PHE A 152 -15.011 2.524 6.047 1.00 2.37 C ATOM 2414 CE1 PHE A 152 -16.765 2.902 8.143 1.00 3.76 C ATOM 2415 CE2 PHE A 152 -15.609 3.755 6.231 1.00 3.27 C ATOM 2416 CZ PHE A 152 -16.462 3.956 7.290 1.00 3.92 C ATOM 0 H PHE A 152 -13.941 -2.319 6.524 1.00 0.79 H new ATOM 0 HA PHE A 152 -16.191 -0.884 7.776 1.00 0.99 H new ATOM 0 HB2 PHE A 152 -13.800 0.028 7.395 1.00 1.26 H new ATOM 0 HB3 PHE A 152 -14.219 0.086 5.694 1.00 1.26 H new ATOM 0 HD1 PHE A 152 -16.384 0.861 8.630 1.00 2.81 H new ATOM 0 HD2 PHE A 152 -14.326 2.381 5.225 1.00 2.37 H new ATOM 0 HE1 PHE A 152 -17.468 3.043 8.951 1.00 3.76 H new ATOM 0 HE2 PHE A 152 -15.406 4.561 5.542 1.00 3.27 H new ATOM 0 HZ PHE A 152 -16.896 4.931 7.459 1.00 3.92 H new ATOM 2426 N ASP A 153 -17.192 -0.167 5.318 1.00 0.92 N ATOM 2427 CA ASP A 153 -18.101 -0.227 4.186 1.00 1.10 C ATOM 2428 C ASP A 153 -17.526 0.538 3.000 1.00 1.14 C ATOM 2429 O ASP A 153 -17.560 0.064 1.865 1.00 1.88 O ATOM 2430 CB ASP A 153 -19.468 0.342 4.567 1.00 1.43 C ATOM 2431 CG ASP A 153 -20.119 -0.426 5.702 1.00 2.10 C ATOM 2432 OD1 ASP A 153 -19.520 -0.491 6.795 1.00 2.80 O ATOM 2433 OD2 ASP A 153 -21.229 -0.961 5.494 1.00 2.58 O ATOM 0 H ASP A 153 -17.139 0.744 5.775 1.00 0.92 H new ATOM 0 HA ASP A 153 -18.225 -1.272 3.901 1.00 1.10 H new ATOM 0 HB2 ASP A 153 -19.356 1.387 4.857 1.00 1.43 H new ATOM 0 HB3 ASP A 153 -20.123 0.321 3.696 1.00 1.43 H new ATOM 2438 N LYS A 154 -16.994 1.726 3.278 1.00 0.75 N ATOM 2439 CA LYS A 154 -16.402 2.565 2.244 1.00 0.78 C ATOM 2440 C LYS A 154 -15.712 3.775 2.874 1.00 0.91 C ATOM 2441 O LYS A 154 -16.366 4.691 3.372 1.00 1.80 O ATOM 2442 CB LYS A 154 -17.475 3.000 1.237 1.00 0.89 C ATOM 2443 CG LYS A 154 -16.944 3.810 0.063 1.00 0.86 C ATOM 2444 CD LYS A 154 -16.988 5.302 0.344 1.00 1.03 C ATOM 2445 CE LYS A 154 -16.481 6.109 -0.841 1.00 1.54 C ATOM 2446 NZ LYS A 154 -16.518 7.574 -0.574 1.00 2.17 N ATOM 0 H LYS A 154 -16.962 2.129 4.215 1.00 0.75 H new ATOM 0 HA LYS A 154 -15.648 1.989 1.707 1.00 0.78 H new ATOM 0 HB2 LYS A 154 -17.977 2.112 0.853 1.00 0.89 H new ATOM 0 HB3 LYS A 154 -18.228 3.590 1.759 1.00 0.89 H new ATOM 0 HG2 LYS A 154 -15.918 3.510 -0.152 1.00 0.86 H new ATOM 0 HG3 LYS A 154 -17.533 3.590 -0.827 1.00 0.86 H new ATOM 0 HD2 LYS A 154 -18.011 5.599 0.577 1.00 1.03 H new ATOM 0 HD3 LYS A 154 -16.383 5.525 1.223 1.00 1.03 H new ATOM 0 HE2 LYS A 154 -15.460 5.808 -1.074 1.00 1.54 H new ATOM 0 HE3 LYS A 154 -17.087 5.885 -1.719 1.00 1.54 H new ATOM 0 HZ1 LYS A 154 -16.164 8.088 -1.406 1.00 2.17 H new ATOM 0 HZ2 LYS A 154 -17.496 7.866 -0.377 1.00 2.17 H new ATOM 0 HZ3 LYS A 154 -15.919 7.792 0.248 1.00 2.17 H new ATOM 2460 N LEU A 155 -14.381 3.753 2.851 1.00 0.61 N ATOM 2461 CA LEU A 155 -13.566 4.829 3.420 1.00 0.61 C ATOM 2462 C LEU A 155 -13.865 6.156 2.721 1.00 0.68 C ATOM 2463 O LEU A 155 -14.802 6.250 1.935 1.00 0.89 O ATOM 2464 CB LEU A 155 -12.072 4.497 3.285 1.00 0.60 C ATOM 2465 CG LEU A 155 -11.588 3.173 3.916 1.00 0.60 C ATOM 2466 CD1 LEU A 155 -12.195 1.966 3.220 1.00 1.18 C ATOM 2467 CD2 LEU A 155 -10.078 3.113 3.848 1.00 1.23 C ATOM 0 H LEU A 155 -13.838 2.994 2.440 1.00 0.61 H new ATOM 0 HA LEU A 155 -13.816 4.923 4.477 1.00 0.61 H new ATOM 0 HB2 LEU A 155 -11.824 4.477 2.224 1.00 0.60 H new ATOM 0 HB3 LEU A 155 -11.502 5.313 3.730 1.00 0.60 H new ATOM 0 HG LEU A 155 -11.914 3.146 4.956 1.00 0.60 H new ATOM 0 HD11 LEU A 155 -11.831 1.053 3.691 1.00 1.18 H new ATOM 0 HD12 LEU A 155 -13.281 2.008 3.300 1.00 1.18 H new ATOM 0 HD13 LEU A 155 -11.908 1.970 2.168 1.00 1.18 H new ATOM 0 HD21 LEU A 155 -9.731 2.180 4.292 1.00 1.23 H new ATOM 0 HD22 LEU A 155 -9.759 3.160 2.807 1.00 1.23 H new ATOM 0 HD23 LEU A 155 -9.655 3.955 4.396 1.00 1.23 H new ATOM 2479 N ASN A 156 -13.069 7.184 3.001 1.00 0.66 N ATOM 2480 CA ASN A 156 -13.281 8.485 2.376 1.00 0.77 C ATOM 2481 C ASN A 156 -12.037 8.956 1.633 1.00 0.65 C ATOM 2482 O ASN A 156 -10.990 9.186 2.236 1.00 0.69 O ATOM 2483 CB ASN A 156 -13.721 9.528 3.415 1.00 1.04 C ATOM 2484 CG ASN A 156 -12.795 9.638 4.619 1.00 1.66 C ATOM 2485 OD1 ASN A 156 -11.707 8.876 4.628 1.00 2.44 O flip ATOM 2486 ND2 ASN A 156 -13.058 10.415 5.537 1.00 2.12 N flip ATOM 0 H ASN A 156 -12.281 7.143 3.648 1.00 0.66 H new ATOM 0 HA ASN A 156 -14.081 8.371 1.645 1.00 0.77 H new ATOM 0 HB2 ASN A 156 -13.786 10.502 2.930 1.00 1.04 H new ATOM 0 HB3 ASN A 156 -14.723 9.278 3.763 1.00 1.04 H new ATOM 0 HD21 ASN A 156 -13.903 10.985 5.496 1.00 2.12 H new ATOM 0 HD22 ASN A 156 -12.431 10.489 6.338 1.00 2.12 H new ATOM 2493 N LYS A 157 -12.157 9.096 0.315 1.00 0.64 N ATOM 2494 CA LYS A 157 -11.038 9.541 -0.505 1.00 0.64 C ATOM 2495 C LYS A 157 -10.557 10.911 -0.050 1.00 0.68 C ATOM 2496 O LYS A 157 -11.022 11.942 -0.536 1.00 0.95 O ATOM 2497 CB LYS A 157 -11.429 9.578 -1.983 1.00 0.79 C ATOM 2498 CG LYS A 157 -11.852 8.222 -2.525 1.00 0.96 C ATOM 2499 CD LYS A 157 -12.112 8.274 -4.021 1.00 1.67 C ATOM 2500 CE LYS A 157 -12.561 6.924 -4.553 1.00 1.70 C ATOM 2501 NZ LYS A 157 -13.873 6.511 -3.981 1.00 2.51 N ATOM 0 H LYS A 157 -13.015 8.908 -0.204 1.00 0.64 H new ATOM 0 HA LYS A 157 -10.223 8.828 -0.384 1.00 0.64 H new ATOM 0 HB2 LYS A 157 -12.246 10.287 -2.118 1.00 0.79 H new ATOM 0 HB3 LYS A 157 -10.586 9.948 -2.566 1.00 0.79 H new ATOM 0 HG2 LYS A 157 -11.075 7.487 -2.316 1.00 0.96 H new ATOM 0 HG3 LYS A 157 -12.753 7.889 -2.010 1.00 0.96 H new ATOM 0 HD2 LYS A 157 -12.875 9.023 -4.233 1.00 1.67 H new ATOM 0 HD3 LYS A 157 -11.205 8.588 -4.539 1.00 1.67 H new ATOM 0 HE2 LYS A 157 -12.636 6.969 -5.639 1.00 1.70 H new ATOM 0 HE3 LYS A 157 -11.809 6.172 -4.316 1.00 1.70 H new ATOM 0 HZ1 LYS A 157 -13.764 5.605 -3.481 1.00 2.51 H new ATOM 0 HZ2 LYS A 157 -14.205 7.237 -3.314 1.00 2.51 H new ATOM 0 HZ3 LYS A 157 -14.567 6.402 -4.748 1.00 2.51 H new ATOM 2515 N TRP A 158 -9.621 10.891 0.894 1.00 0.73 N ATOM 2516 CA TRP A 158 -9.040 12.100 1.464 1.00 0.83 C ATOM 2517 C TRP A 158 -10.079 13.212 1.604 1.00 1.08 C ATOM 2518 O TRP A 158 -10.115 14.104 0.730 1.00 1.47 O ATOM 2519 CB TRP A 158 -7.861 12.578 0.613 1.00 0.85 C ATOM 2520 CG TRP A 158 -7.109 13.725 1.218 1.00 1.04 C ATOM 2521 CD1 TRP A 158 -6.780 14.901 0.607 1.00 1.51 C ATOM 2522 CD2 TRP A 158 -6.584 13.804 2.549 1.00 1.55 C ATOM 2523 NE1 TRP A 158 -6.088 15.709 1.477 1.00 1.52 N ATOM 2524 CE2 TRP A 158 -5.955 15.056 2.675 1.00 1.52 C ATOM 2525 CE3 TRP A 158 -6.587 12.937 3.649 1.00 2.50 C ATOM 2526 CZ2 TRP A 158 -5.336 15.463 3.854 1.00 2.07 C ATOM 2527 CZ3 TRP A 158 -5.971 13.344 4.818 1.00 3.24 C ATOM 2528 CH2 TRP A 158 -5.353 14.596 4.913 1.00 2.95 C ATOM 2529 OXT TRP A 158 -10.847 13.181 2.587 1.00 1.75 O ATOM 0 H TRP A 158 -9.242 10.029 1.287 1.00 0.73 H new ATOM 0 HA TRP A 158 -8.680 11.854 2.463 1.00 0.83 H new ATOM 0 HB2 TRP A 158 -7.174 11.746 0.459 1.00 0.85 H new ATOM 0 HB3 TRP A 158 -8.229 12.874 -0.369 1.00 0.85 H new ATOM 0 HD1 TRP A 158 -7.028 15.159 -0.412 1.00 1.51 H new ATOM 0 HE1 TRP A 158 -5.732 16.641 1.266 1.00 1.52 H new ATOM 0 HE3 TRP A 158 -7.061 11.969 3.585 1.00 2.50 H new ATOM 0 HZ2 TRP A 158 -4.859 16.429 3.930 1.00 2.07 H new ATOM 0 HZ3 TRP A 158 -5.967 12.684 5.673 1.00 3.24 H new ATOM 0 HH2 TRP A 158 -4.880 14.884 5.840 1.00 2.95 H new