USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 870 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 64 THR OG1 : rot -98:sc= 0.953 USER MOD Set 1.2: A 109 THR OG1 : rot -12:sc= 0.266 USER MOD Set 1.3: A 111 THR OG1 : rot 23:sc= 2.08 USER MOD Set 2.1: A 72 ASN : amide:sc= 0.763 K(o=2.6,f=1.1) USER MOD Set 2.2: A 107 THR OG1 : rot 88:sc= 1.83 USER MOD Set 3.1: A 37 THR OG1 : rot -27:sc= 0.955 USER MOD Set 3.2: A 42 ASN : amide:sc= 1.38 K(o=2.3,f=-4.5!) USER MOD Single : A 25 THR OG1 : rot 51:sc= 1.34 USER MOD Single : A 27 SER OG : rot 104:sc= 1 USER MOD Single : A 29 ASN : amide:sc= -0.968 K(o=-0.97,f=-5.6!) USER MOD Single : A 32 CYS SG : rot 79:sc= 0.0777 USER MOD Single : A 33 SER OG : rot 11:sc= 0.26 USER MOD Single : A 38 HIS : no HE2:sc= 0.678 K(o=0.68,f=-5!) USER MOD Single : A 41 CYS SG : rot 180:sc= 0.357 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 123:sc= 1.28 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -2:sc= 0.47 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 81 THR OG1 : rot 31:sc= 0.921 USER MOD Single : A 84 MET CE :methyl 180:sc= -2.32! (180deg=-2.32!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.595 K(o=0.59,f=-2.1) USER MOD Single : A 87 GLN : amide:sc= -0.0925 K(o=-0.093,f=-3.2!) USER MOD Single : A 92 ASN : amide:sc= 1.15 K(o=1.2,f=-1.9) USER MOD Single : A 100 SER OG : rot 34:sc= 1.07 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -67:sc= 0.799 USER MOD Single : A 114 THR OG1 : rot 1:sc= 0.382 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HE2:sc= 0.972 K(o=0.97,f=-3.1!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot 81:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 -7.919 -12.085 -11.305 1.00 1.00 N ATOM 2 CA GLU A 21 -7.747 -11.194 -10.124 1.00 1.00 C ATOM 3 C GLU A 21 -8.162 -9.745 -10.447 1.00 1.00 C ATOM 4 O GLU A 21 -8.525 -9.481 -11.591 1.00 1.00 O ATOM 5 CB GLU A 21 -6.326 -11.339 -9.547 1.00 1.00 C ATOM 6 CG GLU A 21 -6.219 -10.820 -8.110 1.00 1.00 C ATOM 7 CD GLU A 21 -5.034 -11.405 -7.352 1.00 1.00 C ATOM 8 OE1 GLU A 21 -5.068 -12.583 -6.930 1.00 1.00 O ATOM 9 OE2 GLU A 21 -4.097 -10.632 -7.079 1.00 1.00 O ATOM 0 HA GLU A 21 -8.426 -11.507 -9.331 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -6.032 -12.388 -9.573 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -5.624 -10.795 -10.179 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -6.131 -9.734 -8.128 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -7.138 -11.057 -7.575 1.00 1.00 H new ATOM 17 N LEU A 22 -8.197 -8.851 -9.445 1.00 1.00 N ATOM 18 CA LEU A 22 -8.709 -7.475 -9.464 1.00 1.00 C ATOM 19 C LEU A 22 -7.802 -6.698 -8.486 1.00 1.00 C ATOM 20 O LEU A 22 -6.733 -7.223 -8.126 1.00 1.00 O ATOM 21 CB LEU A 22 -10.239 -7.489 -9.192 1.00 1.00 C ATOM 22 CG LEU A 22 -11.122 -7.668 -10.466 1.00 1.00 C ATOM 23 CD1 LEU A 22 -12.527 -8.219 -10.169 1.00 1.00 C ATOM 24 CD2 LEU A 22 -11.270 -6.360 -11.260 1.00 1.00 C ATOM 0 H LEU A 22 -7.836 -9.096 -8.523 1.00 1.00 H new ATOM 0 HA LEU A 22 -8.653 -6.959 -10.422 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -10.464 -8.295 -8.494 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -10.516 -6.556 -8.701 1.00 1.00 H new ATOM 0 HG LEU A 22 -10.584 -8.404 -11.064 1.00 1.00 H new ATOM 0 HD11 LEU A 22 -13.084 -8.317 -11.101 1.00 1.00 H new ATOM 0 HD12 LEU A 22 -12.442 -9.196 -9.693 1.00 1.00 H new ATOM 0 HD13 LEU A 22 -13.053 -7.535 -9.503 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -11.893 -6.535 -12.137 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -11.736 -5.603 -10.630 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -10.286 -6.013 -11.577 1.00 1.00 H new ATOM 36 N VAL A 23 -8.056 -5.425 -8.153 1.00 1.00 N ATOM 37 CA VAL A 23 -7.177 -4.745 -7.167 1.00 1.00 C ATOM 38 C VAL A 23 -7.402 -5.353 -5.763 1.00 1.00 C ATOM 39 O VAL A 23 -7.997 -4.720 -4.890 1.00 1.00 O ATOM 40 CB VAL A 23 -7.281 -3.192 -7.208 1.00 1.00 C ATOM 41 CG1 VAL A 23 -6.005 -2.595 -6.581 1.00 1.00 C ATOM 42 CG2 VAL A 23 -7.426 -2.615 -8.633 1.00 1.00 C ATOM 0 H VAL A 23 -8.820 -4.861 -8.525 1.00 1.00 H new ATOM 0 HA VAL A 23 -6.141 -4.934 -7.448 1.00 1.00 H new ATOM 0 HB VAL A 23 -8.182 -2.926 -6.656 1.00 1.00 H new ATOM 0 HG11 VAL A 23 -6.064 -1.507 -6.603 1.00 1.00 H new ATOM 0 HG12 VAL A 23 -5.915 -2.933 -5.549 1.00 1.00 H new ATOM 0 HG13 VAL A 23 -5.133 -2.923 -7.148 1.00 1.00 H new ATOM 0 HG21 VAL A 23 -7.493 -1.528 -8.580 1.00 1.00 H new ATOM 0 HG22 VAL A 23 -6.558 -2.897 -9.230 1.00 1.00 H new ATOM 0 HG23 VAL A 23 -8.329 -3.012 -9.096 1.00 1.00 H new ATOM 52 N ARG A 24 -6.933 -6.604 -5.544 1.00 1.00 N ATOM 53 CA ARG A 24 -6.884 -7.260 -4.216 1.00 1.00 C ATOM 54 C ARG A 24 -6.147 -6.460 -3.099 1.00 1.00 C ATOM 55 O ARG A 24 -5.485 -5.448 -3.346 1.00 1.00 O ATOM 56 CB ARG A 24 -6.310 -8.686 -4.349 1.00 1.00 C ATOM 57 CG ARG A 24 -4.804 -8.810 -4.624 1.00 1.00 C ATOM 58 CD ARG A 24 -4.117 -9.846 -3.719 1.00 1.00 C ATOM 59 NE ARG A 24 -3.955 -11.114 -4.430 1.00 1.00 N ATOM 60 CZ ARG A 24 -3.383 -12.237 -4.071 1.00 1.00 C ATOM 61 NH1 ARG A 24 -2.801 -12.440 -2.920 1.00 1.00 N ATOM 62 NH2 ARG A 24 -3.367 -13.205 -4.936 1.00 1.00 N ATOM 0 H ARG A 24 -6.573 -7.194 -6.295 1.00 1.00 H new ATOM 0 HA ARG A 24 -7.919 -7.300 -3.877 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -6.532 -9.227 -3.429 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -6.844 -9.192 -5.153 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -4.651 -9.087 -5.667 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -4.332 -7.838 -4.480 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -3.143 -9.473 -3.401 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -4.709 -10.000 -2.817 1.00 1.00 H new ATOM 0 HE ARG A 24 -4.357 -11.126 -5.367 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -2.770 -11.694 -2.226 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -2.377 -13.345 -2.715 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -3.790 -13.075 -5.855 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -2.932 -14.096 -4.697 1.00 1.00 H new ATOM 76 N THR A 25 -6.240 -6.967 -1.860 1.00 1.00 N ATOM 77 CA THR A 25 -5.500 -6.485 -0.666 1.00 1.00 C ATOM 78 C THR A 25 -4.425 -7.532 -0.299 1.00 1.00 C ATOM 79 O THR A 25 -3.713 -8.003 -1.187 1.00 1.00 O ATOM 80 CB THR A 25 -6.488 -6.072 0.460 1.00 1.00 C ATOM 81 OG1 THR A 25 -5.789 -5.625 1.598 1.00 1.00 O ATOM 82 CG2 THR A 25 -7.451 -7.162 0.949 1.00 1.00 C ATOM 0 H THR A 25 -6.853 -7.753 -1.646 1.00 1.00 H new ATOM 0 HA THR A 25 -4.952 -5.564 -0.864 1.00 1.00 H new ATOM 0 HB THR A 25 -7.084 -5.293 -0.015 1.00 1.00 H new ATOM 0 HG1 THR A 25 -5.132 -4.948 1.333 1.00 1.00 H new ATOM 0 HG21 THR A 25 -8.090 -6.757 1.734 1.00 1.00 H new ATOM 0 HG22 THR A 25 -8.068 -7.502 0.117 1.00 1.00 H new ATOM 0 HG23 THR A 25 -6.879 -8.002 1.344 1.00 1.00 H new ATOM 90 N ASP A 26 -4.273 -7.884 0.983 1.00 1.00 N ATOM 91 CA ASP A 26 -3.454 -8.996 1.494 1.00 1.00 C ATOM 92 C ASP A 26 -3.705 -10.306 0.694 1.00 1.00 C ATOM 93 O ASP A 26 -2.763 -10.965 0.244 1.00 1.00 O ATOM 94 CB ASP A 26 -3.771 -9.128 3.006 1.00 1.00 C ATOM 95 CG ASP A 26 -3.559 -10.501 3.648 1.00 1.00 C ATOM 96 OD1 ASP A 26 -4.363 -11.416 3.341 1.00 1.00 O ATOM 97 OD2 ASP A 26 -2.614 -10.596 4.454 1.00 1.00 O ATOM 0 H ASP A 26 -4.741 -7.376 1.733 1.00 1.00 H new ATOM 0 HA ASP A 26 -2.390 -8.797 1.363 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -3.158 -8.405 3.544 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -4.811 -8.840 3.159 1.00 1.00 H new ATOM 102 N SER A 27 -4.987 -10.641 0.479 1.00 1.00 N ATOM 103 CA SER A 27 -5.476 -11.900 -0.102 1.00 1.00 C ATOM 104 C SER A 27 -6.510 -11.652 -1.226 1.00 1.00 C ATOM 105 O SER A 27 -7.130 -10.582 -1.272 1.00 1.00 O ATOM 106 CB SER A 27 -6.081 -12.754 1.027 1.00 1.00 C ATOM 107 OG SER A 27 -5.101 -13.215 1.935 1.00 1.00 O ATOM 0 H SER A 27 -5.750 -10.007 0.718 1.00 1.00 H new ATOM 0 HA SER A 27 -4.642 -12.429 -0.562 1.00 1.00 H new ATOM 0 HB2 SER A 27 -6.824 -12.166 1.566 1.00 1.00 H new ATOM 0 HB3 SER A 27 -6.602 -13.608 0.594 1.00 1.00 H new ATOM 0 HG SER A 27 -5.146 -12.688 2.760 1.00 1.00 H new ATOM 113 N PRO A 28 -6.738 -12.631 -2.139 1.00 1.00 N ATOM 114 CA PRO A 28 -7.678 -12.501 -3.264 1.00 1.00 C ATOM 115 C PRO A 28 -9.185 -12.520 -2.902 1.00 1.00 C ATOM 116 O PRO A 28 -10.010 -12.265 -3.776 1.00 1.00 O ATOM 117 CB PRO A 28 -7.332 -13.647 -4.221 1.00 1.00 C ATOM 118 CG PRO A 28 -6.656 -14.703 -3.347 1.00 1.00 C ATOM 119 CD PRO A 28 -6.078 -13.931 -2.166 1.00 1.00 C ATOM 0 HA PRO A 28 -7.552 -11.510 -3.700 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -8.227 -14.045 -4.700 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -6.668 -13.310 -5.017 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -7.371 -15.456 -3.014 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -5.874 -15.227 -3.896 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -6.249 -14.469 -1.234 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -5.000 -13.813 -2.273 1.00 1.00 H new ATOM 127 N ASN A 29 -9.550 -12.799 -1.637 1.00 1.00 N ATOM 128 CA ASN A 29 -10.910 -12.792 -1.066 1.00 1.00 C ATOM 129 C ASN A 29 -11.565 -11.388 -0.988 1.00 1.00 C ATOM 130 O ASN A 29 -12.772 -11.267 -1.218 1.00 1.00 O ATOM 131 CB ASN A 29 -10.848 -13.482 0.323 1.00 1.00 C ATOM 132 CG ASN A 29 -9.956 -12.822 1.371 1.00 1.00 C ATOM 133 OD1 ASN A 29 -9.016 -12.097 1.079 1.00 1.00 O ATOM 134 ND2 ASN A 29 -10.202 -13.068 2.633 1.00 1.00 N ATOM 0 H ASN A 29 -8.853 -13.053 -0.937 1.00 1.00 H new ATOM 0 HA ASN A 29 -11.563 -13.344 -1.742 1.00 1.00 H new ATOM 0 HB2 ASN A 29 -11.861 -13.537 0.722 1.00 1.00 H new ATOM 0 HB3 ASN A 29 -10.506 -14.507 0.180 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -9.613 -12.657 3.357 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -10.983 -13.671 2.892 1.00 1.00 H new ATOM 141 N PHE A 30 -10.768 -10.343 -0.702 1.00 1.00 N ATOM 142 CA PHE A 30 -11.145 -8.924 -0.661 1.00 1.00 C ATOM 143 C PHE A 30 -10.618 -8.188 -1.920 1.00 1.00 C ATOM 144 O PHE A 30 -9.408 -7.962 -2.036 1.00 1.00 O ATOM 145 CB PHE A 30 -10.559 -8.315 0.632 1.00 1.00 C ATOM 146 CG PHE A 30 -11.166 -8.715 1.967 1.00 1.00 C ATOM 147 CD1 PHE A 30 -12.386 -8.148 2.390 1.00 1.00 C ATOM 148 CD2 PHE A 30 -10.480 -9.607 2.825 1.00 1.00 C ATOM 149 CE1 PHE A 30 -12.953 -8.504 3.634 1.00 1.00 C ATOM 150 CE2 PHE A 30 -11.039 -9.959 4.074 1.00 1.00 C ATOM 151 CZ PHE A 30 -12.282 -9.418 4.473 1.00 1.00 C ATOM 0 H PHE A 30 -9.782 -10.479 -0.480 1.00 1.00 H new ATOM 0 HA PHE A 30 -12.230 -8.816 -0.658 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -9.498 -8.564 0.663 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -10.630 -7.231 0.548 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -12.892 -7.434 1.757 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -9.528 -10.019 2.525 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -13.897 -8.078 3.941 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -10.515 -10.643 4.725 1.00 1.00 H new ATOM 0 HZ PHE A 30 -12.718 -9.704 5.419 1.00 1.00 H new ATOM 161 N LEU A 31 -11.509 -7.778 -2.845 1.00 1.00 N ATOM 162 CA LEU A 31 -11.165 -7.075 -4.104 1.00 1.00 C ATOM 163 C LEU A 31 -11.598 -5.591 -4.182 1.00 1.00 C ATOM 164 O LEU A 31 -12.575 -5.149 -3.569 1.00 1.00 O ATOM 165 CB LEU A 31 -11.621 -7.911 -5.329 1.00 1.00 C ATOM 166 CG LEU A 31 -13.101 -7.887 -5.798 1.00 1.00 C ATOM 167 CD1 LEU A 31 -13.411 -6.655 -6.669 1.00 1.00 C ATOM 168 CD2 LEU A 31 -13.457 -9.162 -6.580 1.00 1.00 C ATOM 0 H LEU A 31 -12.512 -7.929 -2.738 1.00 1.00 H new ATOM 0 HA LEU A 31 -10.078 -7.002 -4.117 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -11.011 -7.598 -6.176 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -11.367 -8.950 -5.120 1.00 1.00 H new ATOM 0 HG LEU A 31 -13.710 -7.835 -4.895 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -14.457 -6.679 -6.975 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -13.221 -5.747 -6.096 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -12.774 -6.665 -7.554 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -14.499 -9.116 -6.895 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -12.816 -9.242 -7.458 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -13.309 -10.033 -5.942 1.00 1.00 H new ATOM 180 N CYS A 32 -10.882 -4.836 -5.027 1.00 1.00 N ATOM 181 CA CYS A 32 -11.122 -3.432 -5.389 1.00 1.00 C ATOM 182 C CYS A 32 -11.064 -3.209 -6.918 1.00 1.00 C ATOM 183 O CYS A 32 -10.599 -4.049 -7.701 1.00 1.00 O ATOM 184 CB CYS A 32 -10.135 -2.473 -4.681 1.00 1.00 C ATOM 185 SG CYS A 32 -9.623 -2.924 -2.995 1.00 1.00 S ATOM 0 H CYS A 32 -10.066 -5.215 -5.507 1.00 1.00 H new ATOM 0 HA CYS A 32 -12.131 -3.202 -5.046 1.00 1.00 H new ATOM 0 HB2 CYS A 32 -9.240 -2.390 -5.298 1.00 1.00 H new ATOM 0 HB3 CYS A 32 -10.590 -1.483 -4.645 1.00 1.00 H new ATOM 0 HG CYS A 32 -8.713 -3.851 -3.051 1.00 1.00 H new ATOM 191 N SER A 33 -11.572 -2.058 -7.368 1.00 1.00 N ATOM 192 CA SER A 33 -11.667 -1.612 -8.753 1.00 1.00 C ATOM 193 C SER A 33 -11.670 -0.077 -8.771 1.00 1.00 C ATOM 194 O SER A 33 -12.710 0.574 -8.630 1.00 1.00 O ATOM 195 CB SER A 33 -12.932 -2.211 -9.383 1.00 1.00 C ATOM 196 OG SER A 33 -12.740 -3.599 -9.570 1.00 1.00 O ATOM 0 H SER A 33 -11.954 -1.366 -6.723 1.00 1.00 H new ATOM 0 HA SER A 33 -10.816 -1.952 -9.343 1.00 1.00 H new ATOM 0 HB2 SER A 33 -13.793 -2.033 -8.739 1.00 1.00 H new ATOM 0 HB3 SER A 33 -13.142 -1.728 -10.337 1.00 1.00 H new ATOM 0 HG SER A 33 -11.931 -3.884 -9.097 1.00 1.00 H new ATOM 202 N VAL A 34 -10.453 0.476 -8.887 1.00 1.00 N ATOM 203 CA VAL A 34 -10.079 1.896 -9.027 1.00 1.00 C ATOM 204 C VAL A 34 -8.755 1.991 -9.830 1.00 1.00 C ATOM 205 O VAL A 34 -7.927 1.076 -9.781 1.00 1.00 O ATOM 206 CB VAL A 34 -9.993 2.583 -7.634 1.00 1.00 C ATOM 207 CG1 VAL A 34 -8.807 2.102 -6.777 1.00 1.00 C ATOM 208 CG2 VAL A 34 -9.955 4.115 -7.754 1.00 1.00 C ATOM 0 H VAL A 34 -9.623 -0.117 -8.885 1.00 1.00 H new ATOM 0 HA VAL A 34 -10.847 2.435 -9.581 1.00 1.00 H new ATOM 0 HB VAL A 34 -10.906 2.283 -7.119 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -8.813 2.625 -5.821 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -8.894 1.029 -6.604 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -7.873 2.310 -7.299 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -9.895 4.557 -6.759 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -9.083 4.413 -8.336 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -10.860 4.464 -8.252 1.00 1.00 H new ATOM 218 N LEU A 35 -8.566 3.080 -10.588 1.00 1.00 N ATOM 219 CA LEU A 35 -7.417 3.302 -11.488 1.00 1.00 C ATOM 220 C LEU A 35 -6.137 3.873 -10.801 1.00 1.00 C ATOM 221 O LEU A 35 -6.148 4.160 -9.598 1.00 1.00 O ATOM 222 CB LEU A 35 -7.903 4.129 -12.704 1.00 1.00 C ATOM 223 CG LEU A 35 -8.098 5.663 -12.673 1.00 1.00 C ATOM 224 CD1 LEU A 35 -8.461 6.240 -11.300 1.00 1.00 C ATOM 225 CD2 LEU A 35 -6.874 6.405 -13.219 1.00 1.00 C ATOM 0 H LEU A 35 -9.227 3.857 -10.595 1.00 1.00 H new ATOM 0 HA LEU A 35 -7.064 2.330 -11.831 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -7.201 3.926 -13.513 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -8.862 3.704 -13.000 1.00 1.00 H new ATOM 0 HG LEU A 35 -8.958 5.827 -13.322 1.00 1.00 H new ATOM 0 HD11 LEU A 35 -8.577 7.321 -11.379 1.00 1.00 H new ATOM 0 HD12 LEU A 35 -9.396 5.799 -10.956 1.00 1.00 H new ATOM 0 HD13 LEU A 35 -7.668 6.011 -10.588 1.00 1.00 H new ATOM 0 HD21 LEU A 35 -7.052 7.480 -13.180 1.00 1.00 H new ATOM 0 HD22 LEU A 35 -6.000 6.160 -12.615 1.00 1.00 H new ATOM 0 HD23 LEU A 35 -6.697 6.104 -14.252 1.00 1.00 H new ATOM 237 N PRO A 36 -5.024 4.088 -11.544 1.00 1.00 N ATOM 238 CA PRO A 36 -3.782 4.722 -11.066 1.00 1.00 C ATOM 239 C PRO A 36 -3.873 6.227 -10.677 1.00 1.00 C ATOM 240 O PRO A 36 -2.970 7.005 -10.992 1.00 1.00 O ATOM 241 CB PRO A 36 -2.735 4.458 -12.160 1.00 1.00 C ATOM 242 CG PRO A 36 -3.561 4.265 -13.430 1.00 1.00 C ATOM 243 CD PRO A 36 -4.864 3.658 -12.929 1.00 1.00 C ATOM 0 HA PRO A 36 -3.514 4.277 -10.108 1.00 1.00 H new ATOM 0 HB2 PRO A 36 -2.042 5.294 -12.259 1.00 1.00 H new ATOM 0 HB3 PRO A 36 -2.138 3.574 -11.935 1.00 1.00 H new ATOM 0 HG2 PRO A 36 -3.732 5.211 -13.943 1.00 1.00 H new ATOM 0 HG3 PRO A 36 -3.059 3.605 -14.137 1.00 1.00 H new ATOM 0 HD2 PRO A 36 -5.705 3.992 -13.537 1.00 1.00 H new ATOM 0 HD3 PRO A 36 -4.835 2.570 -12.995 1.00 1.00 H new ATOM 251 N THR A 37 -4.880 6.635 -9.877 1.00 1.00 N ATOM 252 CA THR A 37 -5.097 7.977 -9.233 1.00 1.00 C ATOM 253 C THR A 37 -4.017 8.356 -8.177 1.00 1.00 C ATOM 254 O THR A 37 -4.173 9.264 -7.366 1.00 1.00 O ATOM 255 CB THR A 37 -6.559 8.108 -8.713 1.00 1.00 C ATOM 256 OG1 THR A 37 -6.867 9.358 -8.129 1.00 1.00 O ATOM 257 CG2 THR A 37 -6.971 7.067 -7.669 1.00 1.00 C ATOM 0 H THR A 37 -5.633 5.991 -9.635 1.00 1.00 H new ATOM 0 HA THR A 37 -4.962 8.729 -10.011 1.00 1.00 H new ATOM 0 HB THR A 37 -7.110 7.961 -9.642 1.00 1.00 H new ATOM 0 HG1 THR A 37 -6.051 9.757 -7.760 1.00 1.00 H new ATOM 0 HG21 THR A 37 -8.004 7.241 -7.369 1.00 1.00 H new ATOM 0 HG22 THR A 37 -6.880 6.068 -8.096 1.00 1.00 H new ATOM 0 HG23 THR A 37 -6.322 7.149 -6.797 1.00 1.00 H new ATOM 265 N HIS A 38 -2.880 7.647 -8.218 1.00 1.00 N ATOM 266 CA HIS A 38 -1.616 7.765 -7.478 1.00 1.00 C ATOM 267 C HIS A 38 -0.946 9.160 -7.573 1.00 1.00 C ATOM 268 O HIS A 38 0.121 9.327 -8.164 1.00 1.00 O ATOM 269 CB HIS A 38 -0.717 6.581 -7.917 1.00 1.00 C ATOM 270 CG HIS A 38 0.133 6.698 -9.167 1.00 1.00 C ATOM 271 ND1 HIS A 38 -0.308 6.964 -10.447 1.00 1.00 N ATOM 272 CD2 HIS A 38 1.498 6.743 -9.176 1.00 1.00 C ATOM 273 CE1 HIS A 38 0.774 7.141 -11.230 1.00 1.00 C ATOM 274 NE2 HIS A 38 1.891 7.014 -10.478 1.00 1.00 N ATOM 0 H HIS A 38 -2.819 6.863 -8.867 1.00 1.00 H new ATOM 0 HA HIS A 38 -1.808 7.695 -6.407 1.00 1.00 H new ATOM 0 HB2 HIS A 38 -0.045 6.359 -7.088 1.00 1.00 H new ATOM 0 HB3 HIS A 38 -1.364 5.713 -8.045 1.00 1.00 H new ATOM 0 HD1 HIS A 38 -1.281 7.017 -10.747 1.00 1.00 H new ATOM 0 HD2 HIS A 38 2.150 6.595 -8.328 1.00 1.00 H new ATOM 0 HE1 HIS A 38 0.753 7.351 -12.289 1.00 1.00 H new ATOM 283 N TRP A 39 -1.550 10.177 -6.951 1.00 1.00 N ATOM 284 CA TRP A 39 -1.095 11.576 -6.885 1.00 1.00 C ATOM 285 C TRP A 39 -1.628 12.322 -5.642 1.00 1.00 C ATOM 286 O TRP A 39 -2.542 11.845 -4.972 1.00 1.00 O ATOM 287 CB TRP A 39 -1.467 12.305 -8.192 1.00 1.00 C ATOM 288 CG TRP A 39 -2.913 12.575 -8.456 1.00 1.00 C ATOM 289 CD1 TRP A 39 -3.679 13.409 -7.721 1.00 1.00 C ATOM 290 CD2 TRP A 39 -3.779 12.054 -9.512 1.00 1.00 C ATOM 291 NE1 TRP A 39 -4.959 13.423 -8.212 1.00 1.00 N ATOM 292 CE2 TRP A 39 -5.073 12.642 -9.343 1.00 1.00 C ATOM 293 CE3 TRP A 39 -3.605 11.173 -10.611 1.00 1.00 C ATOM 294 CZ2 TRP A 39 -6.134 12.386 -10.227 1.00 1.00 C ATOM 295 CZ3 TRP A 39 -4.671 10.897 -11.500 1.00 1.00 C ATOM 296 CH2 TRP A 39 -5.929 11.507 -11.313 1.00 1.00 C ATOM 0 H TRP A 39 -2.426 10.040 -6.447 1.00 1.00 H new ATOM 0 HA TRP A 39 -0.010 11.569 -6.779 1.00 1.00 H new ATOM 0 HB2 TRP A 39 -0.941 13.260 -8.203 1.00 1.00 H new ATOM 0 HB3 TRP A 39 -1.079 11.718 -9.024 1.00 1.00 H new ATOM 0 HD1 TRP A 39 -3.334 13.981 -6.872 1.00 1.00 H new ATOM 0 HE1 TRP A 39 -5.729 13.945 -7.794 1.00 1.00 H new ATOM 0 HE3 TRP A 39 -2.644 10.706 -10.771 1.00 1.00 H new ATOM 0 HZ2 TRP A 39 -7.095 12.856 -10.078 1.00 1.00 H new ATOM 0 HZ3 TRP A 39 -4.521 10.216 -12.325 1.00 1.00 H new ATOM 0 HH2 TRP A 39 -6.736 11.302 -12.001 1.00 1.00 H new ATOM 307 N ARG A 40 -1.094 13.525 -5.378 1.00 1.00 N ATOM 308 CA ARG A 40 -1.387 14.409 -4.227 1.00 1.00 C ATOM 309 C ARG A 40 -2.837 14.922 -4.289 1.00 1.00 C ATOM 310 O ARG A 40 -3.183 15.646 -5.216 1.00 1.00 O ATOM 311 CB ARG A 40 -0.368 15.557 -4.217 1.00 1.00 C ATOM 312 CG ARG A 40 -0.264 16.324 -2.897 1.00 1.00 C ATOM 313 CD ARG A 40 1.085 15.973 -2.270 1.00 1.00 C ATOM 314 NE ARG A 40 0.986 15.216 -1.007 1.00 1.00 N ATOM 315 CZ ARG A 40 1.850 14.327 -0.559 1.00 1.00 C ATOM 316 NH1 ARG A 40 2.885 13.947 -1.241 1.00 1.00 N ATOM 317 NH2 ARG A 40 1.713 13.823 0.629 1.00 1.00 N ATOM 0 H ARG A 40 -0.400 13.938 -6.001 1.00 1.00 H new ATOM 0 HA ARG A 40 -1.295 13.852 -3.294 1.00 1.00 H new ATOM 0 HB2 ARG A 40 0.614 15.152 -4.462 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -0.629 16.260 -5.008 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -0.339 17.398 -3.070 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -1.081 16.051 -2.229 1.00 1.00 H new ATOM 0 HD2 ARG A 40 1.665 15.390 -2.986 1.00 1.00 H new ATOM 0 HD3 ARG A 40 1.638 16.894 -2.086 1.00 1.00 H new ATOM 0 HE ARG A 40 0.169 15.399 -0.424 1.00 1.00 H new ATOM 0 HH11 ARG A 40 3.058 14.339 -2.166 1.00 1.00 H new ATOM 0 HH12 ARG A 40 3.526 13.256 -0.852 1.00 1.00 H new ATOM 0 HH21 ARG A 40 0.934 14.115 1.220 1.00 1.00 H new ATOM 0 HH22 ARG A 40 2.384 13.135 0.972 1.00 1.00 H new ATOM 331 N CYS A 41 -3.670 14.556 -3.303 1.00 1.00 N ATOM 332 CA CYS A 41 -5.125 14.751 -3.269 1.00 1.00 C ATOM 333 C CYS A 41 -5.794 14.046 -4.470 1.00 1.00 C ATOM 334 O CYS A 41 -6.046 14.662 -5.511 1.00 1.00 O ATOM 335 CB CYS A 41 -5.447 16.250 -3.124 1.00 1.00 C ATOM 336 SG CYS A 41 -7.200 16.541 -2.738 1.00 1.00 S ATOM 0 H CYS A 41 -3.326 14.091 -2.463 1.00 1.00 H new ATOM 0 HA CYS A 41 -5.559 14.273 -2.391 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -4.827 16.679 -2.336 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -5.190 16.766 -4.049 1.00 1.00 H new ATOM 0 HG CYS A 41 -7.413 17.818 -2.625 1.00 1.00 H new ATOM 342 N ASN A 42 -6.066 12.735 -4.328 1.00 1.00 N ATOM 343 CA ASN A 42 -6.591 11.896 -5.416 1.00 1.00 C ATOM 344 C ASN A 42 -7.931 12.440 -6.005 1.00 1.00 C ATOM 345 O ASN A 42 -8.122 12.418 -7.220 1.00 1.00 O ATOM 346 CB ASN A 42 -6.635 10.424 -4.941 1.00 1.00 C ATOM 347 CG ASN A 42 -8.024 9.882 -4.687 1.00 1.00 C ATOM 348 OD1 ASN A 42 -8.612 10.058 -3.630 1.00 1.00 O ATOM 349 ND2 ASN A 42 -8.612 9.332 -5.720 1.00 1.00 N ATOM 0 H ASN A 42 -5.927 12.229 -3.453 1.00 1.00 H new ATOM 0 HA ASN A 42 -5.915 11.937 -6.270 1.00 1.00 H new ATOM 0 HB2 ASN A 42 -6.148 9.800 -5.690 1.00 1.00 H new ATOM 0 HB3 ASN A 42 -6.052 10.335 -4.024 1.00 1.00 H new ATOM 0 HD21 ASN A 42 -9.586 9.038 -5.655 1.00 1.00 H new ATOM 0 HD22 ASN A 42 -8.095 9.198 -6.589 1.00 1.00 H new ATOM 356 N LYS A 43 -8.805 12.971 -5.119 1.00 1.00 N ATOM 357 CA LYS A 43 -10.161 13.539 -5.300 1.00 1.00 C ATOM 358 C LYS A 43 -11.266 12.494 -5.613 1.00 1.00 C ATOM 359 O LYS A 43 -11.001 11.379 -6.067 1.00 1.00 O ATOM 360 CB LYS A 43 -10.085 14.697 -6.326 1.00 1.00 C ATOM 361 CG LYS A 43 -11.060 15.864 -6.095 1.00 1.00 C ATOM 362 CD LYS A 43 -10.865 16.997 -7.115 1.00 1.00 C ATOM 363 CE LYS A 43 -11.640 18.260 -6.720 1.00 1.00 C ATOM 364 NZ LYS A 43 -11.658 19.280 -7.791 1.00 1.00 N ATOM 0 H LYS A 43 -8.541 13.017 -4.135 1.00 1.00 H new ATOM 0 HA LYS A 43 -10.488 13.939 -4.340 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -9.069 15.092 -6.324 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -10.267 14.288 -7.320 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -12.084 15.496 -6.155 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -10.921 16.257 -5.088 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -9.804 17.233 -7.198 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -11.194 16.661 -8.098 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -12.665 17.988 -6.467 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -11.193 18.689 -5.823 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -12.195 20.111 -7.470 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -10.683 19.563 -8.017 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -12.109 18.884 -8.640 1.00 1.00 H new ATOM 377 N THR A 44 -12.537 12.873 -5.385 1.00 1.00 N ATOM 378 CA THR A 44 -13.752 12.080 -5.725 1.00 1.00 C ATOM 379 C THR A 44 -13.977 12.091 -7.256 1.00 1.00 C ATOM 380 O THR A 44 -14.904 12.732 -7.750 1.00 1.00 O ATOM 381 CB THR A 44 -15.030 12.552 -4.971 1.00 1.00 C ATOM 382 OG1 THR A 44 -14.807 12.650 -3.584 1.00 1.00 O ATOM 383 CG2 THR A 44 -16.196 11.556 -5.117 1.00 1.00 C ATOM 0 H THR A 44 -12.763 13.766 -4.946 1.00 1.00 H new ATOM 0 HA THR A 44 -13.569 11.059 -5.389 1.00 1.00 H new ATOM 0 HB THR A 44 -15.274 13.517 -5.416 1.00 1.00 H new ATOM 0 HG1 THR A 44 -15.628 12.950 -3.141 1.00 1.00 H new ATOM 0 HG21 THR A 44 -17.064 11.930 -4.574 1.00 1.00 H new ATOM 0 HG22 THR A 44 -16.449 11.444 -6.171 1.00 1.00 H new ATOM 0 HG23 THR A 44 -15.902 10.589 -4.709 1.00 1.00 H new ATOM 391 N LEU A 45 -13.091 11.435 -8.023 1.00 1.00 N ATOM 392 CA LEU A 45 -13.130 11.379 -9.499 1.00 1.00 C ATOM 393 C LEU A 45 -14.340 10.569 -10.065 1.00 1.00 C ATOM 394 O LEU A 45 -14.880 9.699 -9.366 1.00 1.00 O ATOM 395 CB LEU A 45 -11.789 10.802 -9.998 1.00 1.00 C ATOM 396 CG LEU A 45 -10.509 11.592 -9.654 1.00 1.00 C ATOM 397 CD1 LEU A 45 -9.332 10.626 -9.779 1.00 1.00 C ATOM 398 CD2 LEU A 45 -10.303 12.809 -10.570 1.00 1.00 C ATOM 0 H LEU A 45 -12.308 10.915 -7.627 1.00 1.00 H new ATOM 0 HA LEU A 45 -13.274 12.394 -9.871 1.00 1.00 H new ATOM 0 HB2 LEU A 45 -11.683 9.795 -9.594 1.00 1.00 H new ATOM 0 HB3 LEU A 45 -11.845 10.706 -11.082 1.00 1.00 H new ATOM 0 HG LEU A 45 -10.593 11.988 -8.642 1.00 1.00 H new ATOM 0 HD11 LEU A 45 -8.405 11.149 -9.543 1.00 1.00 H new ATOM 0 HD12 LEU A 45 -9.467 9.796 -9.085 1.00 1.00 H new ATOM 0 HD13 LEU A 45 -9.283 10.243 -10.798 1.00 1.00 H new ATOM 0 HD21 LEU A 45 -9.388 13.329 -10.284 1.00 1.00 H new ATOM 0 HD22 LEU A 45 -10.223 12.476 -11.605 1.00 1.00 H new ATOM 0 HD23 LEU A 45 -11.151 13.486 -10.471 1.00 1.00 H new ATOM 410 N PRO A 46 -14.741 10.769 -11.351 1.00 1.00 N ATOM 411 CA PRO A 46 -15.884 10.082 -11.984 1.00 1.00 C ATOM 412 C PRO A 46 -15.730 8.564 -12.219 1.00 1.00 C ATOM 413 O PRO A 46 -16.712 7.918 -12.571 1.00 1.00 O ATOM 414 CB PRO A 46 -16.125 10.790 -13.321 1.00 1.00 C ATOM 415 CG PRO A 46 -14.776 11.422 -13.657 1.00 1.00 C ATOM 416 CD PRO A 46 -14.146 11.712 -12.295 1.00 1.00 C ATOM 0 HA PRO A 46 -16.721 10.147 -11.288 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -16.439 10.088 -14.093 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -16.908 11.543 -13.238 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -14.156 10.747 -14.247 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -14.898 12.334 -14.241 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -13.064 11.590 -12.335 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -14.340 12.740 -11.990 1.00 1.00 H new ATOM 424 N ILE A 47 -14.535 7.983 -12.005 1.00 1.00 N ATOM 425 CA ILE A 47 -14.206 6.548 -12.197 1.00 1.00 C ATOM 426 C ILE A 47 -14.935 5.564 -11.251 1.00 1.00 C ATOM 427 O ILE A 47 -14.927 4.363 -11.519 1.00 1.00 O ATOM 428 CB ILE A 47 -12.673 6.295 -12.081 1.00 1.00 C ATOM 429 CG1 ILE A 47 -12.194 6.177 -10.612 1.00 1.00 C ATOM 430 CG2 ILE A 47 -11.815 7.261 -12.922 1.00 1.00 C ATOM 431 CD1 ILE A 47 -11.856 7.437 -9.808 1.00 1.00 C ATOM 0 H ILE A 47 -13.732 8.521 -11.679 1.00 1.00 H new ATOM 0 HA ILE A 47 -14.566 6.340 -13.205 1.00 1.00 H new ATOM 0 HB ILE A 47 -12.511 5.316 -12.532 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -12.967 5.640 -10.062 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -11.306 5.545 -10.611 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -10.760 7.021 -12.788 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -12.080 7.160 -13.975 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -11.998 8.286 -12.598 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -11.540 7.154 -8.804 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -11.050 7.979 -10.303 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -12.737 8.076 -9.745 1.00 1.00 H new ATOM 443 N ALA A 48 -15.548 6.074 -10.167 1.00 1.00 N ATOM 444 CA ALA A 48 -16.128 5.340 -9.033 1.00 1.00 C ATOM 445 C ALA A 48 -15.058 4.588 -8.183 1.00 1.00 C ATOM 446 O ALA A 48 -13.865 4.590 -8.494 1.00 1.00 O ATOM 447 CB ALA A 48 -17.329 4.494 -9.523 1.00 1.00 C ATOM 0 H ALA A 48 -15.657 7.082 -10.055 1.00 1.00 H new ATOM 0 HA ALA A 48 -16.535 6.046 -8.309 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -17.758 3.950 -8.682 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -18.085 5.151 -9.954 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -16.990 3.785 -10.279 1.00 1.00 H new ATOM 453 N PHE A 49 -15.483 3.964 -7.078 1.00 1.00 N ATOM 454 CA PHE A 49 -14.661 3.121 -6.201 1.00 1.00 C ATOM 455 C PHE A 49 -15.386 1.800 -5.923 1.00 1.00 C ATOM 456 O PHE A 49 -16.069 1.630 -4.907 1.00 1.00 O ATOM 457 CB PHE A 49 -14.244 3.889 -4.938 1.00 1.00 C ATOM 458 CG PHE A 49 -13.057 3.278 -4.214 1.00 1.00 C ATOM 459 CD1 PHE A 49 -13.202 2.118 -3.415 1.00 1.00 C ATOM 460 CD2 PHE A 49 -11.776 3.850 -4.387 1.00 1.00 C ATOM 461 CE1 PHE A 49 -12.076 1.530 -2.803 1.00 1.00 C ATOM 462 CE2 PHE A 49 -10.649 3.266 -3.767 1.00 1.00 C ATOM 463 CZ PHE A 49 -10.799 2.101 -2.979 1.00 1.00 C ATOM 0 H PHE A 49 -16.449 4.035 -6.757 1.00 1.00 H new ATOM 0 HA PHE A 49 -13.727 2.861 -6.699 1.00 1.00 H new ATOM 0 HB2 PHE A 49 -14.002 4.916 -5.212 1.00 1.00 H new ATOM 0 HB3 PHE A 49 -15.092 3.933 -4.254 1.00 1.00 H new ATOM 0 HD1 PHE A 49 -14.180 1.682 -3.274 1.00 1.00 H new ATOM 0 HD2 PHE A 49 -11.659 4.735 -4.994 1.00 1.00 H new ATOM 0 HE1 PHE A 49 -12.192 0.642 -2.199 1.00 1.00 H new ATOM 0 HE2 PHE A 49 -9.672 3.709 -3.895 1.00 1.00 H new ATOM 0 HZ PHE A 49 -9.936 1.649 -2.513 1.00 1.00 H new ATOM 473 N LYS A 50 -15.237 0.840 -6.848 1.00 1.00 N ATOM 474 CA LYS A 50 -15.956 -0.440 -6.825 1.00 1.00 C ATOM 475 C LYS A 50 -15.101 -1.369 -5.966 1.00 1.00 C ATOM 476 O LYS A 50 -13.949 -1.646 -6.292 1.00 1.00 O ATOM 477 CB LYS A 50 -16.158 -0.981 -8.258 1.00 1.00 C ATOM 478 CG LYS A 50 -16.895 -0.005 -9.195 1.00 1.00 C ATOM 479 CD LYS A 50 -17.263 -0.588 -10.568 1.00 1.00 C ATOM 480 CE LYS A 50 -17.731 0.533 -11.499 1.00 1.00 C ATOM 481 NZ LYS A 50 -18.107 0.035 -12.838 1.00 1.00 N ATOM 0 H LYS A 50 -14.605 0.933 -7.643 1.00 1.00 H new ATOM 0 HA LYS A 50 -16.959 -0.345 -6.409 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -15.184 -1.217 -8.688 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -16.719 -1.914 -8.208 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -17.807 0.332 -8.702 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -16.270 0.875 -9.345 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -16.401 -1.096 -11.000 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -18.050 -1.334 -10.457 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -18.585 1.041 -11.051 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -16.937 1.273 -11.600 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -18.417 0.832 -13.430 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -17.286 -0.427 -13.280 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -18.883 -0.651 -12.748 1.00 1.00 H new ATOM 494 N VAL A 51 -15.601 -1.732 -4.790 1.00 1.00 N ATOM 495 CA VAL A 51 -14.912 -2.540 -3.770 1.00 1.00 C ATOM 496 C VAL A 51 -15.894 -3.614 -3.279 1.00 1.00 C ATOM 497 O VAL A 51 -17.050 -3.298 -2.989 1.00 1.00 O ATOM 498 CB VAL A 51 -14.262 -1.624 -2.702 1.00 1.00 C ATOM 499 CG1 VAL A 51 -15.250 -0.791 -1.875 1.00 1.00 C ATOM 500 CG2 VAL A 51 -13.299 -2.402 -1.807 1.00 1.00 C ATOM 0 H VAL A 51 -16.541 -1.462 -4.501 1.00 1.00 H new ATOM 0 HA VAL A 51 -14.056 -3.088 -4.163 1.00 1.00 H new ATOM 0 HB VAL A 51 -13.693 -0.892 -3.275 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -14.701 -0.183 -1.156 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -15.822 -0.141 -2.538 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -15.931 -1.456 -1.343 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -12.862 -1.728 -1.070 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -13.840 -3.197 -1.295 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -12.507 -2.836 -2.416 1.00 1.00 H new ATOM 510 N VAL A 52 -15.483 -4.891 -3.420 1.00 1.00 N ATOM 511 CA VAL A 52 -16.255 -6.138 -3.192 1.00 1.00 C ATOM 512 C VAL A 52 -15.419 -7.235 -2.480 1.00 1.00 C ATOM 513 O VAL A 52 -14.207 -7.312 -2.666 1.00 1.00 O ATOM 514 CB VAL A 52 -16.859 -6.659 -4.541 1.00 1.00 C ATOM 515 CG1 VAL A 52 -17.652 -7.978 -4.403 1.00 1.00 C ATOM 516 CG2 VAL A 52 -17.800 -5.634 -5.210 1.00 1.00 C ATOM 0 H VAL A 52 -14.530 -5.097 -3.719 1.00 1.00 H new ATOM 0 HA VAL A 52 -17.075 -5.896 -2.516 1.00 1.00 H new ATOM 0 HB VAL A 52 -15.977 -6.830 -5.159 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -18.038 -8.274 -5.378 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -16.995 -8.759 -4.021 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -18.483 -7.833 -3.713 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -18.188 -6.049 -6.140 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -18.629 -5.409 -4.539 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -17.248 -4.719 -5.424 1.00 1.00 H new ATOM 526 N ALA A 53 -16.033 -8.093 -1.660 1.00 1.00 N ATOM 527 CA ALA A 53 -15.417 -9.314 -1.110 1.00 1.00 C ATOM 528 C ALA A 53 -16.380 -10.499 -1.273 1.00 1.00 C ATOM 529 O ALA A 53 -17.597 -10.339 -1.134 1.00 1.00 O ATOM 530 CB ALA A 53 -14.985 -9.147 0.350 1.00 1.00 C ATOM 0 H ALA A 53 -16.995 -7.959 -1.350 1.00 1.00 H new ATOM 0 HA ALA A 53 -14.506 -9.512 -1.676 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -14.538 -10.075 0.706 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -14.255 -8.341 0.423 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -15.855 -8.906 0.961 1.00 1.00 H new ATOM 536 N LEU A 54 -15.836 -11.693 -1.548 1.00 1.00 N ATOM 537 CA LEU A 54 -16.661 -12.917 -1.566 1.00 1.00 C ATOM 538 C LEU A 54 -16.804 -13.497 -0.135 1.00 1.00 C ATOM 539 O LEU A 54 -15.828 -13.947 0.471 1.00 1.00 O ATOM 540 CB LEU A 54 -16.119 -13.926 -2.600 1.00 1.00 C ATOM 541 CG LEU A 54 -17.216 -14.780 -3.283 1.00 1.00 C ATOM 542 CD1 LEU A 54 -18.022 -13.965 -4.314 1.00 1.00 C ATOM 543 CD2 LEU A 54 -16.610 -15.984 -4.017 1.00 1.00 C ATOM 0 H LEU A 54 -14.849 -11.840 -1.758 1.00 1.00 H new ATOM 0 HA LEU A 54 -17.671 -12.671 -1.893 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -15.566 -13.383 -3.367 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -15.410 -14.591 -2.106 1.00 1.00 H new ATOM 0 HG LEU A 54 -17.875 -15.115 -2.482 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -18.780 -14.602 -4.769 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -18.505 -13.125 -3.816 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -17.351 -13.591 -5.087 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -17.406 -16.563 -4.485 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -15.918 -15.633 -4.782 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -16.075 -16.613 -3.305 1.00 1.00 H new ATOM 555 N GLY A 55 -18.034 -13.464 0.401 1.00 1.00 N ATOM 556 CA GLY A 55 -18.435 -13.902 1.750 1.00 1.00 C ATOM 557 C GLY A 55 -19.784 -13.326 2.226 1.00 1.00 C ATOM 558 O GLY A 55 -20.469 -12.613 1.488 1.00 1.00 O ATOM 0 H GLY A 55 -18.828 -13.107 -0.130 1.00 1.00 H new ATOM 0 HA2 GLY A 55 -18.492 -14.990 1.765 1.00 1.00 H new ATOM 0 HA3 GLY A 55 -17.659 -13.614 2.459 1.00 1.00 H new ATOM 562 N ASP A 56 -20.167 -13.671 3.467 1.00 1.00 N ATOM 563 CA ASP A 56 -21.383 -13.207 4.163 1.00 1.00 C ATOM 564 C ASP A 56 -21.399 -11.701 4.548 1.00 1.00 C ATOM 565 O ASP A 56 -20.497 -10.942 4.192 1.00 1.00 O ATOM 566 CB ASP A 56 -21.588 -14.138 5.376 1.00 1.00 C ATOM 567 CG ASP A 56 -22.974 -14.788 5.387 1.00 1.00 C ATOM 568 OD1 ASP A 56 -23.949 -14.011 5.416 1.00 1.00 O ATOM 569 OD2 ASP A 56 -23.017 -16.043 5.328 1.00 1.00 O ATOM 0 H ASP A 56 -19.614 -14.309 4.039 1.00 1.00 H new ATOM 0 HA ASP A 56 -22.222 -13.270 3.470 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -20.825 -14.916 5.366 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -21.450 -13.568 6.295 1.00 1.00 H new ATOM 574 N VAL A 57 -22.444 -11.231 5.249 1.00 1.00 N ATOM 575 CA VAL A 57 -22.646 -9.809 5.652 1.00 1.00 C ATOM 576 C VAL A 57 -22.280 -9.521 7.144 1.00 1.00 C ATOM 577 O VAL A 57 -23.118 -9.756 8.013 1.00 1.00 O ATOM 578 CB VAL A 57 -24.074 -9.306 5.283 1.00 1.00 C ATOM 579 CG1 VAL A 57 -24.208 -9.016 3.775 1.00 1.00 C ATOM 580 CG2 VAL A 57 -25.218 -10.255 5.700 1.00 1.00 C ATOM 0 H VAL A 57 -23.199 -11.839 5.565 1.00 1.00 H new ATOM 0 HA VAL A 57 -21.933 -9.227 5.068 1.00 1.00 H new ATOM 0 HB VAL A 57 -24.182 -8.388 5.860 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -25.218 -8.668 3.560 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -23.490 -8.248 3.487 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -24.010 -9.927 3.210 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -26.174 -9.824 5.403 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -25.087 -11.220 5.210 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -25.201 -10.392 6.781 1.00 1.00 H new ATOM 590 N PRO A 58 -21.047 -9.042 7.479 1.00 1.00 N ATOM 591 CA PRO A 58 -20.606 -8.745 8.864 1.00 1.00 C ATOM 592 C PRO A 58 -20.870 -7.320 9.422 1.00 1.00 C ATOM 593 O PRO A 58 -20.542 -7.071 10.579 1.00 1.00 O ATOM 594 CB PRO A 58 -19.086 -8.960 8.855 1.00 1.00 C ATOM 595 CG PRO A 58 -18.715 -8.483 7.453 1.00 1.00 C ATOM 596 CD PRO A 58 -19.889 -8.957 6.594 1.00 1.00 C ATOM 0 HA PRO A 58 -21.193 -9.393 9.515 1.00 1.00 H new ATOM 0 HB2 PRO A 58 -18.586 -8.380 9.631 1.00 1.00 H new ATOM 0 HB3 PRO A 58 -18.819 -10.004 9.016 1.00 1.00 H new ATOM 0 HG2 PRO A 58 -18.601 -7.400 7.414 1.00 1.00 H new ATOM 0 HG3 PRO A 58 -17.772 -8.915 7.118 1.00 1.00 H new ATOM 0 HD2 PRO A 58 -20.077 -8.261 5.777 1.00 1.00 H new ATOM 0 HD3 PRO A 58 -19.673 -9.926 6.144 1.00 1.00 H new ATOM 604 N ASP A 59 -21.407 -6.390 8.618 1.00 1.00 N ATOM 605 CA ASP A 59 -21.728 -4.967 8.883 1.00 1.00 C ATOM 606 C ASP A 59 -20.828 -4.261 9.939 1.00 1.00 C ATOM 607 O ASP A 59 -21.226 -4.063 11.089 1.00 1.00 O ATOM 608 CB ASP A 59 -23.243 -4.830 9.197 1.00 1.00 C ATOM 609 CG ASP A 59 -24.228 -5.656 8.337 1.00 1.00 C ATOM 610 OD1 ASP A 59 -23.772 -6.293 7.349 1.00 1.00 O ATOM 611 OD2 ASP A 59 -25.437 -5.600 8.623 1.00 1.00 O ATOM 0 H ASP A 59 -21.657 -6.637 7.660 1.00 1.00 H new ATOM 0 HA ASP A 59 -21.493 -4.422 7.969 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -23.396 -5.104 10.241 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -23.513 -3.778 9.101 1.00 1.00 H new ATOM 616 N GLY A 60 -19.620 -3.834 9.524 1.00 1.00 N ATOM 617 CA GLY A 60 -18.561 -3.315 10.408 1.00 1.00 C ATOM 618 C GLY A 60 -17.147 -3.464 9.826 1.00 1.00 C ATOM 619 O GLY A 60 -16.238 -3.958 10.494 1.00 1.00 O ATOM 0 H GLY A 60 -19.348 -3.841 8.541 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -18.752 -2.261 10.611 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -18.609 -3.837 11.364 1.00 1.00 H new ATOM 623 N THR A 61 -16.954 -2.997 8.586 1.00 1.00 N ATOM 624 CA THR A 61 -15.709 -3.101 7.801 1.00 1.00 C ATOM 625 C THR A 61 -15.352 -1.706 7.260 1.00 1.00 C ATOM 626 O THR A 61 -15.882 -1.297 6.226 1.00 1.00 O ATOM 627 CB THR A 61 -15.866 -4.160 6.686 1.00 1.00 C ATOM 628 OG1 THR A 61 -16.186 -5.419 7.229 1.00 1.00 O ATOM 629 CG2 THR A 61 -14.609 -4.376 5.851 1.00 1.00 C ATOM 0 H THR A 61 -17.693 -2.513 8.076 1.00 1.00 H new ATOM 0 HA THR A 61 -14.883 -3.439 8.427 1.00 1.00 H new ATOM 0 HB THR A 61 -16.658 -3.762 6.052 1.00 1.00 H new ATOM 0 HG1 THR A 61 -17.030 -5.736 6.844 1.00 1.00 H new ATOM 0 HG21 THR A 61 -14.802 -5.134 5.092 1.00 1.00 H new ATOM 0 HG22 THR A 61 -14.328 -3.440 5.367 1.00 1.00 H new ATOM 0 HG23 THR A 61 -13.796 -4.709 6.497 1.00 1.00 H new ATOM 637 N LEU A 62 -14.504 -0.949 7.977 1.00 1.00 N ATOM 638 CA LEU A 62 -14.147 0.442 7.681 1.00 1.00 C ATOM 639 C LEU A 62 -12.899 0.529 6.775 1.00 1.00 C ATOM 640 O LEU A 62 -11.788 0.201 7.199 1.00 1.00 O ATOM 641 CB LEU A 62 -13.985 1.201 9.021 1.00 1.00 C ATOM 642 CG LEU A 62 -13.891 2.742 8.945 1.00 1.00 C ATOM 643 CD1 LEU A 62 -15.291 3.363 8.891 1.00 1.00 C ATOM 644 CD2 LEU A 62 -13.160 3.327 10.161 1.00 1.00 C ATOM 0 H LEU A 62 -14.033 -1.306 8.808 1.00 1.00 H new ATOM 0 HA LEU A 62 -14.943 0.920 7.110 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -14.829 0.944 9.661 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -13.087 0.830 9.514 1.00 1.00 H new ATOM 0 HG LEU A 62 -13.332 2.978 8.040 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -15.206 4.448 8.838 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -15.818 2.997 8.010 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -15.847 3.086 9.787 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -13.114 4.412 10.071 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -13.697 3.061 11.071 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -12.148 2.924 10.206 1.00 1.00 H new ATOM 656 N VAL A 63 -13.041 1.087 5.564 1.00 1.00 N ATOM 657 CA VAL A 63 -11.905 1.328 4.652 1.00 1.00 C ATOM 658 C VAL A 63 -11.395 2.727 4.989 1.00 1.00 C ATOM 659 O VAL A 63 -12.125 3.706 4.845 1.00 1.00 O ATOM 660 CB VAL A 63 -12.238 1.158 3.141 1.00 1.00 C ATOM 661 CG1 VAL A 63 -13.324 2.074 2.550 1.00 1.00 C ATOM 662 CG2 VAL A 63 -10.965 1.264 2.284 1.00 1.00 C ATOM 0 H VAL A 63 -13.941 1.384 5.187 1.00 1.00 H new ATOM 0 HA VAL A 63 -11.139 0.568 4.808 1.00 1.00 H new ATOM 0 HB VAL A 63 -12.672 0.159 3.103 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -13.454 1.848 1.492 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -14.265 1.908 3.074 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -13.024 3.115 2.665 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -11.223 1.142 1.232 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -10.506 2.241 2.434 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -10.263 0.484 2.578 1.00 1.00 H new ATOM 672 N THR A 64 -10.180 2.769 5.559 1.00 1.00 N ATOM 673 CA THR A 64 -9.490 4.014 5.956 1.00 1.00 C ATOM 674 C THR A 64 -8.260 4.192 5.050 1.00 1.00 C ATOM 675 O THR A 64 -7.250 3.502 5.186 1.00 1.00 O ATOM 676 CB THR A 64 -9.123 3.983 7.467 1.00 1.00 C ATOM 677 OG1 THR A 64 -8.409 2.829 7.866 1.00 1.00 O ATOM 678 CG2 THR A 64 -10.355 4.009 8.380 1.00 1.00 C ATOM 0 H THR A 64 -9.639 1.928 5.761 1.00 1.00 H new ATOM 0 HA THR A 64 -10.146 4.875 5.825 1.00 1.00 H new ATOM 0 HB THR A 64 -8.509 4.877 7.575 1.00 1.00 H new ATOM 0 HG1 THR A 64 -9.028 2.185 8.269 1.00 1.00 H new ATOM 0 HG21 THR A 64 -10.036 3.986 9.422 1.00 1.00 H new ATOM 0 HG22 THR A 64 -10.925 4.919 8.195 1.00 1.00 H new ATOM 0 HG23 THR A 64 -10.980 3.141 8.172 1.00 1.00 H new ATOM 686 N VAL A 65 -8.262 5.239 4.207 1.00 1.00 N ATOM 687 CA VAL A 65 -7.239 5.403 3.140 1.00 1.00 C ATOM 688 C VAL A 65 -6.515 6.760 3.190 1.00 1.00 C ATOM 689 O VAL A 65 -7.068 7.800 2.843 1.00 1.00 O ATOM 690 CB VAL A 65 -7.814 4.974 1.745 1.00 1.00 C ATOM 691 CG1 VAL A 65 -9.342 5.013 1.507 1.00 1.00 C ATOM 692 CG2 VAL A 65 -7.173 5.707 0.563 1.00 1.00 C ATOM 0 H VAL A 65 -8.955 5.987 4.237 1.00 1.00 H new ATOM 0 HA VAL A 65 -6.423 4.707 3.335 1.00 1.00 H new ATOM 0 HB VAL A 65 -7.539 3.920 1.794 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -9.560 4.685 0.491 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -9.838 4.351 2.217 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -9.706 6.031 1.646 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -7.621 5.358 -0.368 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -7.339 6.779 0.666 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -6.102 5.506 0.548 1.00 1.00 H new ATOM 702 N MET A 66 -5.218 6.739 3.533 1.00 1.00 N ATOM 703 CA MET A 66 -4.397 7.941 3.798 1.00 1.00 C ATOM 704 C MET A 66 -2.953 7.936 3.237 1.00 1.00 C ATOM 705 O MET A 66 -2.473 6.942 2.685 1.00 1.00 O ATOM 706 CB MET A 66 -4.420 8.189 5.318 1.00 1.00 C ATOM 707 CG MET A 66 -4.347 9.683 5.647 1.00 1.00 C ATOM 708 SD MET A 66 -3.921 10.159 7.343 1.00 1.00 S ATOM 709 CE MET A 66 -5.440 9.687 8.213 1.00 1.00 C ATOM 0 H MET A 66 -4.695 5.870 3.637 1.00 1.00 H new ATOM 0 HA MET A 66 -4.850 8.760 3.240 1.00 1.00 H new ATOM 0 HB2 MET A 66 -5.331 7.767 5.742 1.00 1.00 H new ATOM 0 HB3 MET A 66 -3.581 7.672 5.784 1.00 1.00 H new ATOM 0 HG2 MET A 66 -3.615 10.137 4.979 1.00 1.00 H new ATOM 0 HG3 MET A 66 -5.314 10.125 5.409 1.00 1.00 H new ATOM 0 HE1 MET A 66 -5.338 9.917 9.274 1.00 1.00 H new ATOM 0 HE2 MET A 66 -6.283 10.242 7.801 1.00 1.00 H new ATOM 0 HE3 MET A 66 -5.613 8.618 8.088 1.00 1.00 H new ATOM 719 N ALA A 67 -2.254 9.077 3.341 1.00 1.00 N ATOM 720 CA ALA A 67 -0.827 9.191 3.031 1.00 1.00 C ATOM 721 C ALA A 67 0.009 9.119 4.326 1.00 1.00 C ATOM 722 O ALA A 67 -0.337 9.663 5.370 1.00 1.00 O ATOM 723 CB ALA A 67 -0.512 10.480 2.255 1.00 1.00 C ATOM 0 H ALA A 67 -2.673 9.955 3.647 1.00 1.00 H new ATOM 0 HA ALA A 67 -0.560 8.352 2.389 1.00 1.00 H new ATOM 0 HB1 ALA A 67 0.557 10.526 2.045 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -1.067 10.485 1.317 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -0.802 11.344 2.852 1.00 1.00 H new ATOM 729 N GLY A 68 1.169 8.483 4.195 1.00 1.00 N ATOM 730 CA GLY A 68 2.208 8.281 5.210 1.00 1.00 C ATOM 731 C GLY A 68 2.982 6.980 5.001 1.00 1.00 C ATOM 732 O GLY A 68 2.487 5.924 5.365 1.00 1.00 O ATOM 0 H GLY A 68 1.432 8.060 3.305 1.00 1.00 H new ATOM 0 HA2 GLY A 68 2.902 9.121 5.188 1.00 1.00 H new ATOM 0 HA3 GLY A 68 1.749 8.273 6.199 1.00 1.00 H new ATOM 736 N ASN A 69 4.175 7.065 4.411 1.00 1.00 N ATOM 737 CA ASN A 69 5.170 5.993 4.228 1.00 1.00 C ATOM 738 C ASN A 69 6.524 6.428 4.846 1.00 1.00 C ATOM 739 O ASN A 69 7.179 5.630 5.505 1.00 1.00 O ATOM 740 CB ASN A 69 5.215 5.627 2.733 1.00 1.00 C ATOM 741 CG ASN A 69 6.194 4.530 2.352 1.00 1.00 C ATOM 742 OD1 ASN A 69 7.259 4.768 1.807 1.00 1.00 O ATOM 743 ND2 ASN A 69 5.858 3.286 2.584 1.00 1.00 N ATOM 0 H ASN A 69 4.501 7.948 4.017 1.00 1.00 H new ATOM 0 HA ASN A 69 4.900 5.080 4.759 1.00 1.00 H new ATOM 0 HB2 ASN A 69 4.216 5.321 2.423 1.00 1.00 H new ATOM 0 HB3 ASN A 69 5.464 6.524 2.166 1.00 1.00 H new ATOM 0 HD21 ASN A 69 6.484 2.529 2.310 1.00 1.00 H new ATOM 0 HD22 ASN A 69 4.970 3.074 3.039 1.00 1.00 H new ATOM 750 N ASP A 70 6.885 7.713 4.680 1.00 1.00 N ATOM 751 CA ASP A 70 7.982 8.455 5.316 1.00 1.00 C ATOM 752 C ASP A 70 8.028 8.254 6.861 1.00 1.00 C ATOM 753 O ASP A 70 9.089 7.982 7.422 1.00 1.00 O ATOM 754 CB ASP A 70 7.724 9.914 4.900 1.00 1.00 C ATOM 755 CG ASP A 70 8.847 10.916 5.142 1.00 1.00 C ATOM 756 OD1 ASP A 70 9.719 11.019 4.247 1.00 1.00 O ATOM 757 OD2 ASP A 70 8.757 11.629 6.162 1.00 1.00 O ATOM 0 H ASP A 70 6.366 8.311 4.037 1.00 1.00 H new ATOM 0 HA ASP A 70 8.964 8.106 4.996 1.00 1.00 H new ATOM 0 HB2 ASP A 70 7.485 9.925 3.837 1.00 1.00 H new ATOM 0 HB3 ASP A 70 6.838 10.265 5.430 1.00 1.00 H new ATOM 762 N GLU A 71 6.865 8.338 7.533 1.00 1.00 N ATOM 763 CA GLU A 71 6.651 8.167 8.991 1.00 1.00 C ATOM 764 C GLU A 71 5.319 7.471 9.417 1.00 1.00 C ATOM 765 O GLU A 71 5.194 7.086 10.577 1.00 1.00 O ATOM 766 CB GLU A 71 6.707 9.600 9.549 1.00 1.00 C ATOM 767 CG GLU A 71 6.660 9.822 11.068 1.00 1.00 C ATOM 768 CD GLU A 71 6.261 11.263 11.434 1.00 1.00 C ATOM 769 OE1 GLU A 71 6.527 12.199 10.635 1.00 1.00 O ATOM 770 OE2 GLU A 71 5.673 11.399 12.535 1.00 1.00 O ATOM 0 H GLU A 71 5.992 8.540 7.046 1.00 1.00 H new ATOM 0 HA GLU A 71 7.409 7.489 9.383 1.00 1.00 H new ATOM 0 HB2 GLU A 71 7.624 10.059 9.180 1.00 1.00 H new ATOM 0 HB3 GLU A 71 5.876 10.153 9.112 1.00 1.00 H new ATOM 0 HG2 GLU A 71 5.949 9.126 11.513 1.00 1.00 H new ATOM 0 HG3 GLU A 71 7.637 9.598 11.496 1.00 1.00 H new ATOM 777 N ASN A 72 4.356 7.295 8.491 1.00 1.00 N ATOM 778 CA ASN A 72 2.958 6.856 8.636 1.00 1.00 C ATOM 779 C ASN A 72 2.051 8.057 8.999 1.00 1.00 C ATOM 780 O ASN A 72 2.513 9.076 9.518 1.00 1.00 O ATOM 781 CB ASN A 72 2.769 5.611 9.529 1.00 1.00 C ATOM 782 CG ASN A 72 3.279 4.321 8.896 1.00 1.00 C ATOM 783 OD1 ASN A 72 4.308 3.784 9.262 1.00 1.00 O ATOM 784 ND2 ASN A 72 2.588 3.738 7.936 1.00 1.00 N ATOM 0 H ASN A 72 4.566 7.479 7.510 1.00 1.00 H new ATOM 0 HA ASN A 72 2.629 6.492 7.663 1.00 1.00 H new ATOM 0 HB2 ASN A 72 3.287 5.771 10.475 1.00 1.00 H new ATOM 0 HB3 ASN A 72 1.710 5.498 9.761 1.00 1.00 H new ATOM 0 HD21 ASN A 72 2.921 2.866 7.526 1.00 1.00 H new ATOM 0 HD22 ASN A 72 1.721 4.159 7.604 1.00 1.00 H new ATOM 791 N TYR A 73 0.773 7.956 8.595 1.00 1.00 N ATOM 792 CA TYR A 73 -0.309 8.974 8.680 1.00 1.00 C ATOM 793 C TYR A 73 0.165 10.445 8.527 1.00 1.00 C ATOM 794 O TYR A 73 -0.248 11.354 9.245 1.00 1.00 O ATOM 795 CB TYR A 73 -1.135 8.702 9.947 1.00 1.00 C ATOM 796 CG TYR A 73 -1.828 7.351 9.986 1.00 1.00 C ATOM 797 CD1 TYR A 73 -2.908 7.085 9.114 1.00 1.00 C ATOM 798 CD2 TYR A 73 -1.396 6.364 10.898 1.00 1.00 C ATOM 799 CE1 TYR A 73 -3.598 5.857 9.183 1.00 1.00 C ATOM 800 CE2 TYR A 73 -2.074 5.123 10.967 1.00 1.00 C ATOM 801 CZ TYR A 73 -3.178 4.872 10.115 1.00 1.00 C ATOM 802 OH TYR A 73 -3.822 3.678 10.156 1.00 1.00 O ATOM 0 H TYR A 73 0.434 7.095 8.165 1.00 1.00 H new ATOM 0 HA TYR A 73 -0.954 8.862 7.808 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -0.479 8.782 10.814 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -1.889 9.483 10.045 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -3.207 7.828 8.389 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -0.550 6.555 11.542 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -4.439 5.668 8.532 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -1.750 4.368 11.668 1.00 1.00 H new ATOM 0 HH TYR A 73 -3.417 3.111 10.845 1.00 1.00 H new ATOM 812 N SER A 74 1.060 10.652 7.553 1.00 1.00 N ATOM 813 CA SER A 74 1.834 11.860 7.242 1.00 1.00 C ATOM 814 C SER A 74 1.081 12.899 6.382 1.00 1.00 C ATOM 815 O SER A 74 1.426 14.078 6.473 1.00 1.00 O ATOM 816 CB SER A 74 3.166 11.459 6.585 1.00 1.00 C ATOM 817 OG SER A 74 3.826 10.402 7.276 1.00 1.00 O ATOM 0 H SER A 74 1.282 9.902 6.898 1.00 1.00 H new ATOM 0 HA SER A 74 2.017 12.365 8.191 1.00 1.00 H new ATOM 0 HB2 SER A 74 2.981 11.154 5.555 1.00 1.00 H new ATOM 0 HB3 SER A 74 3.823 12.328 6.547 1.00 1.00 H new ATOM 0 HG SER A 74 3.309 10.158 8.072 1.00 1.00 H new ATOM 823 N ALA A 75 0.090 12.504 5.553 1.00 1.00 N ATOM 824 CA ALA A 75 -0.823 13.444 4.874 1.00 1.00 C ATOM 825 C ALA A 75 -2.274 12.904 4.811 1.00 1.00 C ATOM 826 O ALA A 75 -2.537 11.821 4.285 1.00 1.00 O ATOM 827 CB ALA A 75 -0.289 13.910 3.514 1.00 1.00 C ATOM 0 H ALA A 75 -0.098 11.525 5.337 1.00 1.00 H new ATOM 0 HA ALA A 75 -0.863 14.342 5.490 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -1.001 14.599 3.060 1.00 1.00 H new ATOM 0 HB2 ALA A 75 0.667 14.415 3.652 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -0.153 13.047 2.862 1.00 1.00 H new ATOM 833 N GLU A 76 -3.205 13.687 5.376 1.00 1.00 N ATOM 834 CA GLU A 76 -4.627 13.363 5.597 1.00 1.00 C ATOM 835 C GLU A 76 -5.472 12.999 4.348 1.00 1.00 C ATOM 836 O GLU A 76 -5.054 13.100 3.193 1.00 1.00 O ATOM 837 CB GLU A 76 -5.275 14.507 6.410 1.00 1.00 C ATOM 838 CG GLU A 76 -4.717 14.550 7.839 1.00 1.00 C ATOM 839 CD GLU A 76 -5.651 15.278 8.804 1.00 1.00 C ATOM 840 OE1 GLU A 76 -6.629 14.622 9.226 1.00 1.00 O ATOM 841 OE2 GLU A 76 -5.379 16.462 9.094 1.00 1.00 O ATOM 0 H GLU A 76 -2.973 14.622 5.712 1.00 1.00 H new ATOM 0 HA GLU A 76 -4.627 12.425 6.152 1.00 1.00 H new ATOM 0 HB2 GLU A 76 -5.090 15.460 5.915 1.00 1.00 H new ATOM 0 HB3 GLU A 76 -6.356 14.369 6.442 1.00 1.00 H new ATOM 0 HG2 GLU A 76 -4.553 13.532 8.194 1.00 1.00 H new ATOM 0 HG3 GLU A 76 -3.746 15.046 7.833 1.00 1.00 H new ATOM 848 N LEU A 77 -6.705 12.555 4.615 1.00 1.00 N ATOM 849 CA LEU A 77 -7.741 12.100 3.708 1.00 1.00 C ATOM 850 C LEU A 77 -8.968 13.027 3.770 1.00 1.00 C ATOM 851 O LEU A 77 -9.097 13.843 4.687 1.00 1.00 O ATOM 852 CB LEU A 77 -8.032 10.639 4.081 1.00 1.00 C ATOM 853 CG LEU A 77 -8.520 10.278 5.507 1.00 1.00 C ATOM 854 CD1 LEU A 77 -9.974 10.690 5.784 1.00 1.00 C ATOM 855 CD2 LEU A 77 -8.401 8.763 5.737 1.00 1.00 C ATOM 0 H LEU A 77 -7.027 12.504 5.581 1.00 1.00 H new ATOM 0 HA LEU A 77 -7.428 12.141 2.665 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -8.781 10.270 3.381 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -7.119 10.072 3.899 1.00 1.00 H new ATOM 0 HG LEU A 77 -7.880 10.838 6.189 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -10.245 10.405 6.801 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -10.074 11.769 5.670 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -10.635 10.188 5.078 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -8.746 8.519 6.742 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -9.012 8.235 5.005 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -7.360 8.459 5.627 1.00 1.00 H new ATOM 867 N ARG A 78 -9.898 12.895 2.810 1.00 1.00 N ATOM 868 CA ARG A 78 -11.141 13.699 2.762 1.00 1.00 C ATOM 869 C ARG A 78 -12.357 12.784 2.563 1.00 1.00 C ATOM 870 O ARG A 78 -12.806 12.578 1.439 1.00 1.00 O ATOM 871 CB ARG A 78 -10.963 14.793 1.686 1.00 1.00 C ATOM 872 CG ARG A 78 -10.077 15.967 2.132 1.00 1.00 C ATOM 873 CD ARG A 78 -9.160 16.558 1.057 1.00 1.00 C ATOM 874 NE ARG A 78 -9.637 17.879 0.648 1.00 1.00 N ATOM 875 CZ ARG A 78 -8.906 18.974 0.501 1.00 1.00 C ATOM 876 NH1 ARG A 78 -7.599 19.045 0.595 1.00 1.00 N ATOM 877 NH2 ARG A 78 -9.502 20.095 0.222 1.00 1.00 N ATOM 0 H ARG A 78 -9.814 12.229 2.042 1.00 1.00 H new ATOM 0 HA ARG A 78 -11.334 14.211 3.705 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -10.530 14.343 0.793 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -11.944 15.177 1.406 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -10.722 16.761 2.509 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -9.459 15.635 2.966 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.143 16.635 1.440 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -9.126 15.893 0.194 1.00 1.00 H new ATOM 0 HE ARG A 78 -10.635 17.966 0.456 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -7.056 18.206 0.798 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -7.126 19.939 0.465 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.517 20.122 0.120 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -8.955 20.948 0.105 1.00 1.00 H new ATOM 891 N ASN A 79 -12.856 12.200 3.669 1.00 1.00 N ATOM 892 CA ASN A 79 -13.924 11.196 3.713 1.00 1.00 C ATOM 893 C ASN A 79 -13.432 9.817 3.213 1.00 1.00 C ATOM 894 O ASN A 79 -14.235 8.905 3.061 1.00 1.00 O ATOM 895 CB ASN A 79 -15.220 11.748 3.065 1.00 1.00 C ATOM 896 CG ASN A 79 -15.901 12.877 3.850 1.00 1.00 C ATOM 897 OD1 ASN A 79 -15.298 13.709 4.513 1.00 1.00 O ATOM 898 ND2 ASN A 79 -17.211 12.943 3.830 1.00 1.00 N ATOM 0 H ASN A 79 -12.505 12.430 4.599 1.00 1.00 H new ATOM 0 HA ASN A 79 -14.206 10.996 4.747 1.00 1.00 H new ATOM 0 HB2 ASN A 79 -14.983 12.111 2.065 1.00 1.00 H new ATOM 0 HB3 ASN A 79 -15.928 10.928 2.947 1.00 1.00 H new ATOM 0 HD21 ASN A 79 -17.693 13.672 4.357 1.00 1.00 H new ATOM 0 HD22 ASN A 79 -17.748 12.266 3.288 1.00 1.00 H new ATOM 905 N ALA A 80 -12.101 9.607 3.046 1.00 1.00 N ATOM 906 CA ALA A 80 -11.474 8.298 2.771 1.00 1.00 C ATOM 907 C ALA A 80 -11.658 7.252 3.899 1.00 1.00 C ATOM 908 O ALA A 80 -11.034 6.190 3.863 1.00 1.00 O ATOM 909 CB ALA A 80 -10.012 8.502 2.375 1.00 1.00 C ATOM 0 H ALA A 80 -11.421 10.366 3.101 1.00 1.00 H new ATOM 0 HA ALA A 80 -12.005 7.855 1.929 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -9.552 7.535 2.173 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -9.961 9.123 1.480 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -9.480 8.994 3.189 1.00 1.00 H new ATOM 915 N THR A 81 -12.470 7.592 4.904 1.00 1.00 N ATOM 916 CA THR A 81 -12.949 6.654 5.953 1.00 1.00 C ATOM 917 C THR A 81 -14.429 6.307 5.703 1.00 1.00 C ATOM 918 O THR A 81 -15.287 7.160 5.943 1.00 1.00 O ATOM 919 CB THR A 81 -12.767 7.197 7.388 1.00 1.00 C ATOM 920 OG1 THR A 81 -13.579 8.328 7.633 1.00 1.00 O ATOM 921 CG2 THR A 81 -11.322 7.584 7.714 1.00 1.00 C ATOM 0 H THR A 81 -12.826 8.540 5.024 1.00 1.00 H new ATOM 0 HA THR A 81 -12.333 5.758 5.881 1.00 1.00 H new ATOM 0 HB THR A 81 -13.065 6.368 8.030 1.00 1.00 H new ATOM 0 HG1 THR A 81 -14.401 8.261 7.104 1.00 1.00 H new ATOM 0 HG21 THR A 81 -11.267 7.957 8.737 1.00 1.00 H new ATOM 0 HG22 THR A 81 -10.679 6.710 7.612 1.00 1.00 H new ATOM 0 HG23 THR A 81 -10.989 8.361 7.026 1.00 1.00 H new ATOM 929 N ALA A 82 -14.740 5.063 5.312 1.00 1.00 N ATOM 930 CA ALA A 82 -16.081 4.602 4.934 1.00 1.00 C ATOM 931 C ALA A 82 -16.355 3.173 5.444 1.00 1.00 C ATOM 932 O ALA A 82 -15.516 2.280 5.319 1.00 1.00 O ATOM 933 CB ALA A 82 -16.230 4.726 3.404 1.00 1.00 C ATOM 0 H ALA A 82 -14.039 4.325 5.248 1.00 1.00 H new ATOM 0 HA ALA A 82 -16.835 5.229 5.410 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -17.222 4.387 3.106 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -16.099 5.767 3.109 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -15.475 4.112 2.914 1.00 1.00 H new ATOM 939 N ALA A 83 -17.545 2.962 6.011 1.00 1.00 N ATOM 940 CA ALA A 83 -18.011 1.716 6.650 1.00 1.00 C ATOM 941 C ALA A 83 -18.768 0.792 5.659 1.00 1.00 C ATOM 942 O ALA A 83 -19.499 1.268 4.787 1.00 1.00 O ATOM 943 CB ALA A 83 -18.911 2.092 7.838 1.00 1.00 C ATOM 0 H ALA A 83 -18.254 3.694 6.041 1.00 1.00 H new ATOM 0 HA ALA A 83 -17.144 1.151 6.992 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -19.267 1.185 8.326 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -18.342 2.688 8.551 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -19.763 2.670 7.480 1.00 1.00 H new ATOM 949 N MET A 84 -18.602 -0.535 5.801 1.00 1.00 N ATOM 950 CA MET A 84 -19.078 -1.580 4.873 1.00 1.00 C ATOM 951 C MET A 84 -19.353 -2.919 5.609 1.00 1.00 C ATOM 952 O MET A 84 -19.257 -3.004 6.840 1.00 1.00 O ATOM 953 CB MET A 84 -18.009 -1.789 3.777 1.00 1.00 C ATOM 954 CG MET A 84 -17.642 -0.588 2.898 1.00 1.00 C ATOM 955 SD MET A 84 -16.195 -0.889 1.852 1.00 1.00 S ATOM 956 CE MET A 84 -14.960 -1.170 3.139 1.00 1.00 C ATOM 0 H MET A 84 -18.109 -0.928 6.603 1.00 1.00 H new ATOM 0 HA MET A 84 -20.019 -1.254 4.431 1.00 1.00 H new ATOM 0 HB2 MET A 84 -17.098 -2.141 4.261 1.00 1.00 H new ATOM 0 HB3 MET A 84 -18.352 -2.590 3.123 1.00 1.00 H new ATOM 0 HG2 MET A 84 -18.493 -0.334 2.266 1.00 1.00 H new ATOM 0 HG3 MET A 84 -17.449 0.275 3.535 1.00 1.00 H new ATOM 0 HE1 MET A 84 -13.994 -1.374 2.678 1.00 1.00 H new ATOM 0 HE2 MET A 84 -14.882 -0.283 3.768 1.00 1.00 H new ATOM 0 HE3 MET A 84 -15.258 -2.023 3.749 1.00 1.00 H new ATOM 966 N LYS A 85 -19.667 -3.980 4.838 1.00 1.00 N ATOM 967 CA LYS A 85 -19.968 -5.355 5.282 1.00 1.00 C ATOM 968 C LYS A 85 -18.822 -6.291 4.843 1.00 1.00 C ATOM 969 O LYS A 85 -17.763 -6.287 5.468 1.00 1.00 O ATOM 970 CB LYS A 85 -21.376 -5.757 4.783 1.00 1.00 C ATOM 971 CG LYS A 85 -22.509 -4.787 5.168 1.00 1.00 C ATOM 972 CD LYS A 85 -23.840 -5.145 4.499 1.00 1.00 C ATOM 973 CE LYS A 85 -25.008 -4.410 5.161 1.00 1.00 C ATOM 974 NZ LYS A 85 -25.206 -3.057 4.601 1.00 1.00 N ATOM 0 H LYS A 85 -19.720 -3.893 3.823 1.00 1.00 H new ATOM 0 HA LYS A 85 -20.011 -5.433 6.368 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -21.348 -5.845 3.697 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -21.615 -6.745 5.177 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -22.637 -4.794 6.250 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -22.226 -3.773 4.887 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -23.799 -4.888 3.440 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -24.003 -6.221 4.560 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -25.921 -4.992 5.032 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -24.827 -4.335 6.233 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -26.007 -2.597 5.079 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -24.345 -2.492 4.746 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -25.405 -3.128 3.583 1.00 1.00 H new ATOM 987 N ASN A 86 -18.955 -6.996 3.714 1.00 1.00 N ATOM 988 CA ASN A 86 -17.911 -7.785 3.033 1.00 1.00 C ATOM 989 C ASN A 86 -17.131 -6.859 2.077 1.00 1.00 C ATOM 990 O ASN A 86 -17.078 -7.054 0.868 1.00 1.00 O ATOM 991 CB ASN A 86 -18.508 -9.045 2.370 1.00 1.00 C ATOM 992 CG ASN A 86 -19.806 -8.835 1.594 1.00 1.00 C ATOM 993 OD1 ASN A 86 -19.851 -8.337 0.490 1.00 1.00 O ATOM 994 ND2 ASN A 86 -20.936 -9.160 2.166 1.00 1.00 N ATOM 0 H ASN A 86 -19.846 -7.036 3.218 1.00 1.00 H new ATOM 0 HA ASN A 86 -17.191 -8.175 3.752 1.00 1.00 H new ATOM 0 HB2 ASN A 86 -17.764 -9.462 1.691 1.00 1.00 H new ATOM 0 HB3 ASN A 86 -18.686 -9.791 3.145 1.00 1.00 H new ATOM 0 HD21 ASN A 86 -21.819 -8.992 1.683 1.00 1.00 H new ATOM 0 HD22 ASN A 86 -20.935 -9.581 3.095 1.00 1.00 H new ATOM 1001 N GLN A 87 -16.575 -5.781 2.651 1.00 1.00 N ATOM 1002 CA GLN A 87 -15.832 -4.715 1.949 1.00 1.00 C ATOM 1003 C GLN A 87 -16.601 -4.119 0.729 1.00 1.00 C ATOM 1004 O GLN A 87 -15.985 -3.731 -0.258 1.00 1.00 O ATOM 1005 CB GLN A 87 -14.425 -5.256 1.603 1.00 1.00 C ATOM 1006 CG GLN A 87 -13.431 -4.197 1.110 1.00 1.00 C ATOM 1007 CD GLN A 87 -12.091 -4.761 0.645 1.00 1.00 C ATOM 1008 OE1 GLN A 87 -11.119 -4.803 1.379 1.00 1.00 O ATOM 1009 NE2 GLN A 87 -11.957 -5.206 -0.589 1.00 1.00 N ATOM 0 H GLN A 87 -16.631 -5.619 3.656 1.00 1.00 H new ATOM 0 HA GLN A 87 -15.725 -3.855 2.610 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -14.010 -5.740 2.487 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -14.525 -6.025 0.837 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -13.885 -3.645 0.287 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -13.252 -3.482 1.913 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -12.752 -5.184 -1.228 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -11.059 -5.572 -0.904 1.00 1.00 H new ATOM 1018 N VAL A 88 -17.947 -4.057 0.780 1.00 1.00 N ATOM 1019 CA VAL A 88 -18.856 -3.616 -0.301 1.00 1.00 C ATOM 1020 C VAL A 88 -19.209 -2.122 -0.179 1.00 1.00 C ATOM 1021 O VAL A 88 -19.896 -1.729 0.768 1.00 1.00 O ATOM 1022 CB VAL A 88 -20.129 -4.512 -0.412 1.00 1.00 C ATOM 1023 CG1 VAL A 88 -21.294 -3.886 -1.208 1.00 1.00 C ATOM 1024 CG2 VAL A 88 -19.773 -5.822 -1.134 1.00 1.00 C ATOM 0 H VAL A 88 -18.458 -4.327 1.621 1.00 1.00 H new ATOM 0 HA VAL A 88 -18.311 -3.740 -1.237 1.00 1.00 H new ATOM 0 HB VAL A 88 -20.458 -4.656 0.617 1.00 1.00 H new ATOM 0 HG11 VAL A 88 -22.134 -4.581 -1.231 1.00 1.00 H new ATOM 0 HG12 VAL A 88 -21.605 -2.958 -0.729 1.00 1.00 H new ATOM 0 HG13 VAL A 88 -20.968 -3.677 -2.227 1.00 1.00 H new ATOM 0 HG21 VAL A 88 -20.662 -6.448 -1.212 1.00 1.00 H new ATOM 0 HG22 VAL A 88 -19.399 -5.597 -2.133 1.00 1.00 H new ATOM 0 HG23 VAL A 88 -19.005 -6.351 -0.570 1.00 1.00 H new ATOM 1034 N ALA A 89 -18.785 -1.317 -1.170 1.00 1.00 N ATOM 1035 CA ALA A 89 -19.158 0.104 -1.345 1.00 1.00 C ATOM 1036 C ALA A 89 -19.531 0.433 -2.815 1.00 1.00 C ATOM 1037 O ALA A 89 -19.017 -0.180 -3.757 1.00 1.00 O ATOM 1038 CB ALA A 89 -18.094 1.050 -0.763 1.00 1.00 C ATOM 0 H ALA A 89 -18.151 -1.647 -1.898 1.00 1.00 H new ATOM 0 HA ALA A 89 -20.064 0.276 -0.764 1.00 1.00 H new ATOM 0 HB1 ALA A 89 -18.406 2.084 -0.912 1.00 1.00 H new ATOM 0 HB2 ALA A 89 -17.979 0.856 0.303 1.00 1.00 H new ATOM 0 HB3 ALA A 89 -17.143 0.882 -1.267 1.00 1.00 H new ATOM 1044 N ARG A 90 -20.471 1.380 -2.996 1.00 1.00 N ATOM 1045 CA ARG A 90 -21.085 1.814 -4.268 1.00 1.00 C ATOM 1046 C ARG A 90 -20.751 3.278 -4.596 1.00 1.00 C ATOM 1047 O ARG A 90 -20.589 4.108 -3.702 1.00 1.00 O ATOM 1048 CB ARG A 90 -22.619 1.641 -4.185 1.00 1.00 C ATOM 1049 CG ARG A 90 -23.120 0.194 -4.226 1.00 1.00 C ATOM 1050 CD ARG A 90 -23.493 -0.430 -2.876 1.00 1.00 C ATOM 1051 NE ARG A 90 -24.893 -0.918 -2.876 1.00 1.00 N ATOM 1052 CZ ARG A 90 -25.405 -1.879 -3.639 1.00 1.00 C ATOM 1053 NH1 ARG A 90 -24.688 -2.525 -4.522 1.00 1.00 N ATOM 1054 NH2 ARG A 90 -26.655 -2.238 -3.547 1.00 1.00 N ATOM 0 H ARG A 90 -20.848 1.899 -2.203 1.00 1.00 H new ATOM 0 HA ARG A 90 -20.677 1.192 -5.065 1.00 1.00 H new ATOM 0 HB2 ARG A 90 -22.970 2.103 -3.263 1.00 1.00 H new ATOM 0 HB3 ARG A 90 -23.075 2.189 -5.010 1.00 1.00 H new ATOM 0 HG2 ARG A 90 -23.994 0.152 -4.876 1.00 1.00 H new ATOM 0 HG3 ARG A 90 -22.349 -0.423 -4.688 1.00 1.00 H new ATOM 0 HD2 ARG A 90 -22.818 -1.257 -2.656 1.00 1.00 H new ATOM 0 HD3 ARG A 90 -23.363 0.307 -2.084 1.00 1.00 H new ATOM 0 HE ARG A 90 -25.532 -0.468 -2.220 1.00 1.00 H new ATOM 0 HH11 ARG A 90 -23.701 -2.297 -4.643 1.00 1.00 H new ATOM 0 HH12 ARG A 90 -25.116 -3.257 -5.090 1.00 1.00 H new ATOM 0 HH21 ARG A 90 -27.270 -1.778 -2.876 1.00 1.00 H new ATOM 0 HH22 ARG A 90 -27.018 -2.979 -4.147 1.00 1.00 H new ATOM 1068 N PHE A 91 -20.750 3.584 -5.899 1.00 1.00 N ATOM 1069 CA PHE A 91 -20.397 4.881 -6.496 1.00 1.00 C ATOM 1070 C PHE A 91 -18.965 5.338 -6.113 1.00 1.00 C ATOM 1071 O PHE A 91 -18.042 4.522 -6.159 1.00 1.00 O ATOM 1072 CB PHE A 91 -21.550 5.856 -6.177 1.00 1.00 C ATOM 1073 CG PHE A 91 -21.694 7.050 -7.091 1.00 1.00 C ATOM 1074 CD1 PHE A 91 -22.065 6.847 -8.439 1.00 1.00 C ATOM 1075 CD2 PHE A 91 -21.484 8.361 -6.603 1.00 1.00 C ATOM 1076 CE1 PHE A 91 -22.220 7.952 -9.301 1.00 1.00 C ATOM 1077 CE2 PHE A 91 -21.641 9.465 -7.466 1.00 1.00 C ATOM 1078 CZ PHE A 91 -22.011 9.261 -8.814 1.00 1.00 C ATOM 0 H PHE A 91 -21.010 2.896 -6.606 1.00 1.00 H new ATOM 0 HA PHE A 91 -20.316 4.825 -7.582 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -22.485 5.297 -6.196 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -21.417 6.220 -5.158 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -22.230 5.846 -8.809 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -21.204 8.516 -5.572 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -22.498 7.797 -10.333 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -21.478 10.467 -7.096 1.00 1.00 H new ATOM 0 HZ PHE A 91 -22.134 10.108 -9.473 1.00 1.00 H new ATOM 1088 N ASN A 92 -18.753 6.626 -5.805 1.00 1.00 N ATOM 1089 CA ASN A 92 -17.512 7.188 -5.265 1.00 1.00 C ATOM 1090 C ASN A 92 -17.812 8.223 -4.155 1.00 1.00 C ATOM 1091 O ASN A 92 -18.704 9.057 -4.315 1.00 1.00 O ATOM 1092 CB ASN A 92 -16.655 7.782 -6.405 1.00 1.00 C ATOM 1093 CG ASN A 92 -15.182 7.970 -6.037 1.00 1.00 C ATOM 1094 OD1 ASN A 92 -14.713 7.615 -4.967 1.00 1.00 O ATOM 1095 ND2 ASN A 92 -14.383 8.541 -6.906 1.00 1.00 N ATOM 0 H ASN A 92 -19.476 7.334 -5.932 1.00 1.00 H new ATOM 0 HA ASN A 92 -16.933 6.389 -4.802 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -16.722 7.129 -7.275 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -17.073 8.746 -6.697 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -13.398 8.678 -6.680 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -14.747 8.848 -7.808 1.00 1.00 H new ATOM 1102 N ASP A 93 -17.029 8.165 -3.065 1.00 1.00 N ATOM 1103 CA ASP A 93 -17.057 9.047 -1.876 1.00 1.00 C ATOM 1104 C ASP A 93 -16.074 8.590 -0.767 1.00 1.00 C ATOM 1105 O ASP A 93 -16.455 8.128 0.310 1.00 1.00 O ATOM 1106 CB ASP A 93 -18.495 9.278 -1.356 1.00 1.00 C ATOM 1107 CG ASP A 93 -18.608 10.464 -0.381 1.00 1.00 C ATOM 1108 OD1 ASP A 93 -17.959 11.502 -0.641 1.00 1.00 O ATOM 1109 OD2 ASP A 93 -19.373 10.334 0.604 1.00 1.00 O ATOM 0 H ASP A 93 -16.306 7.450 -2.981 1.00 1.00 H new ATOM 0 HA ASP A 93 -16.693 10.021 -2.202 1.00 1.00 H new ATOM 0 HB2 ASP A 93 -19.157 9.450 -2.204 1.00 1.00 H new ATOM 0 HB3 ASP A 93 -18.843 8.373 -0.858 1.00 1.00 H new ATOM 1114 N LEU A 94 -14.782 8.699 -1.096 1.00 1.00 N ATOM 1115 CA LEU A 94 -13.607 8.518 -0.232 1.00 1.00 C ATOM 1116 C LEU A 94 -12.382 9.204 -0.883 1.00 1.00 C ATOM 1117 O LEU A 94 -12.285 9.157 -2.117 1.00 1.00 O ATOM 1118 CB LEU A 94 -13.383 7.020 0.070 1.00 1.00 C ATOM 1119 CG LEU A 94 -13.299 5.991 -1.074 1.00 1.00 C ATOM 1120 CD1 LEU A 94 -12.065 5.121 -0.817 1.00 1.00 C ATOM 1121 CD2 LEU A 94 -14.549 5.102 -1.145 1.00 1.00 C ATOM 0 H LEU A 94 -14.508 8.935 -2.050 1.00 1.00 H new ATOM 0 HA LEU A 94 -13.770 8.997 0.733 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.457 6.943 0.640 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -14.190 6.701 0.729 1.00 1.00 H new ATOM 0 HG LEU A 94 -13.230 6.519 -2.025 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -11.972 4.378 -1.609 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -11.174 5.749 -0.802 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -12.169 4.616 0.143 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -14.445 4.393 -1.966 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -14.662 4.558 -0.207 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -15.429 5.724 -1.312 1.00 1.00 H new ATOM 1133 N ARG A 95 -11.457 9.848 -0.121 1.00 1.00 N ATOM 1134 CA ARG A 95 -10.400 10.668 -0.789 1.00 1.00 C ATOM 1135 C ARG A 95 -9.028 10.559 -0.134 1.00 1.00 C ATOM 1136 O ARG A 95 -8.868 11.002 1.003 1.00 1.00 O ATOM 1137 CB ARG A 95 -10.825 12.145 -0.830 1.00 1.00 C ATOM 1138 CG ARG A 95 -11.921 12.459 -1.854 1.00 1.00 C ATOM 1139 CD ARG A 95 -12.421 13.902 -1.703 1.00 1.00 C ATOM 1140 NE ARG A 95 -11.345 14.891 -1.900 1.00 1.00 N ATOM 1141 CZ ARG A 95 -11.493 16.136 -2.301 1.00 1.00 C ATOM 1142 NH1 ARG A 95 -12.656 16.656 -2.554 1.00 1.00 N ATOM 1143 NH2 ARG A 95 -10.460 16.907 -2.466 1.00 1.00 N ATOM 0 H ARG A 95 -11.415 9.823 0.898 1.00 1.00 H new ATOM 0 HA ARG A 95 -10.301 10.264 -1.797 1.00 1.00 H new ATOM 0 HB2 ARG A 95 -11.175 12.438 0.160 1.00 1.00 H new ATOM 0 HB3 ARG A 95 -9.950 12.756 -1.053 1.00 1.00 H new ATOM 0 HG2 ARG A 95 -11.535 12.308 -2.862 1.00 1.00 H new ATOM 0 HG3 ARG A 95 -12.753 11.767 -1.724 1.00 1.00 H new ATOM 0 HD2 ARG A 95 -13.217 14.086 -2.425 1.00 1.00 H new ATOM 0 HD3 ARG A 95 -12.854 14.032 -0.711 1.00 1.00 H new ATOM 0 HE ARG A 95 -10.393 14.580 -1.707 1.00 1.00 H new ATOM 0 HH11 ARG A 95 -13.500 16.095 -2.444 1.00 1.00 H new ATOM 0 HH12 ARG A 95 -12.725 17.626 -2.863 1.00 1.00 H new ATOM 0 HH21 ARG A 95 -9.522 16.549 -2.284 1.00 1.00 H new ATOM 0 HH22 ARG A 95 -10.587 17.870 -2.777 1.00 1.00 H new ATOM 1157 N PHE A 96 -8.036 10.060 -0.879 1.00 1.00 N ATOM 1158 CA PHE A 96 -6.689 9.793 -0.381 1.00 1.00 C ATOM 1159 C PHE A 96 -5.714 10.952 -0.619 1.00 1.00 C ATOM 1160 O PHE A 96 -5.813 11.715 -1.589 1.00 1.00 O ATOM 1161 CB PHE A 96 -6.066 8.521 -0.982 1.00 1.00 C ATOM 1162 CG PHE A 96 -6.613 7.741 -2.166 1.00 1.00 C ATOM 1163 CD1 PHE A 96 -7.951 7.280 -2.213 1.00 1.00 C ATOM 1164 CD2 PHE A 96 -5.712 7.366 -3.189 1.00 1.00 C ATOM 1165 CE1 PHE A 96 -8.384 6.466 -3.283 1.00 1.00 C ATOM 1166 CE2 PHE A 96 -6.135 6.521 -4.236 1.00 1.00 C ATOM 1167 CZ PHE A 96 -7.476 6.081 -4.291 1.00 1.00 C ATOM 0 H PHE A 96 -8.153 9.827 -1.865 1.00 1.00 H new ATOM 0 HA PHE A 96 -6.833 9.658 0.691 1.00 1.00 H new ATOM 0 HB2 PHE A 96 -5.045 8.790 -1.251 1.00 1.00 H new ATOM 0 HB3 PHE A 96 -6.001 7.807 -0.161 1.00 1.00 H new ATOM 0 HD1 PHE A 96 -8.642 7.551 -1.429 1.00 1.00 H new ATOM 0 HD2 PHE A 96 -4.695 7.728 -3.169 1.00 1.00 H new ATOM 0 HE1 PHE A 96 -9.412 6.138 -3.329 1.00 1.00 H new ATOM 0 HE2 PHE A 96 -5.433 6.210 -4.996 1.00 1.00 H new ATOM 0 HZ PHE A 96 -7.806 5.451 -5.104 1.00 1.00 H new ATOM 1177 N VAL A 97 -4.716 10.995 0.272 1.00 1.00 N ATOM 1178 CA VAL A 97 -3.511 11.845 0.262 1.00 1.00 C ATOM 1179 C VAL A 97 -3.789 13.351 0.017 1.00 1.00 C ATOM 1180 O VAL A 97 -2.990 14.079 -0.579 1.00 1.00 O ATOM 1181 CB VAL A 97 -2.402 11.179 -0.617 1.00 1.00 C ATOM 1182 CG1 VAL A 97 -2.254 9.651 -0.407 1.00 1.00 C ATOM 1183 CG2 VAL A 97 -2.597 11.343 -2.127 1.00 1.00 C ATOM 0 H VAL A 97 -4.728 10.385 1.090 1.00 1.00 H new ATOM 0 HA VAL A 97 -3.104 11.889 1.272 1.00 1.00 H new ATOM 0 HB VAL A 97 -1.520 11.719 -0.273 1.00 1.00 H new ATOM 0 HG11 VAL A 97 -1.464 9.270 -1.054 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -1.999 9.450 0.634 1.00 1.00 H new ATOM 0 HG13 VAL A 97 -3.194 9.157 -0.652 1.00 1.00 H new ATOM 0 HG21 VAL A 97 -1.781 10.850 -2.655 1.00 1.00 H new ATOM 0 HG22 VAL A 97 -3.545 10.893 -2.422 1.00 1.00 H new ATOM 0 HG23 VAL A 97 -2.604 12.403 -2.380 1.00 1.00 H new ATOM 1193 N GLY A 98 -4.940 13.820 0.525 1.00 1.00 N ATOM 1194 CA GLY A 98 -5.601 15.129 0.410 1.00 1.00 C ATOM 1195 C GLY A 98 -4.892 16.351 1.015 1.00 1.00 C ATOM 1196 O GLY A 98 -5.588 17.320 1.346 1.00 1.00 O ATOM 0 H GLY A 98 -5.506 13.202 1.107 1.00 1.00 H new ATOM 0 HA2 GLY A 98 -5.765 15.328 -0.649 1.00 1.00 H new ATOM 0 HA3 GLY A 98 -6.584 15.049 0.875 1.00 1.00 H new ATOM 1200 N ARG A 99 -3.550 16.322 1.139 1.00 1.00 N ATOM 1201 CA ARG A 99 -2.654 17.305 1.757 1.00 1.00 C ATOM 1202 C ARG A 99 -1.217 17.194 1.203 1.00 1.00 C ATOM 1203 O ARG A 99 -0.618 16.120 1.075 1.00 1.00 O ATOM 1204 CB ARG A 99 -2.662 17.104 3.286 1.00 1.00 C ATOM 1205 CG ARG A 99 -3.842 17.826 3.956 1.00 1.00 C ATOM 1206 CD ARG A 99 -3.506 19.076 4.794 1.00 1.00 C ATOM 1207 NE ARG A 99 -2.757 20.103 4.036 1.00 1.00 N ATOM 1208 CZ ARG A 99 -1.507 20.507 4.241 1.00 1.00 C ATOM 1209 NH1 ARG A 99 -0.736 20.072 5.200 1.00 1.00 N ATOM 1210 NH2 ARG A 99 -0.957 21.379 3.450 1.00 1.00 N ATOM 0 H ARG A 99 -3.021 15.531 0.772 1.00 1.00 H new ATOM 0 HA ARG A 99 -3.014 18.305 1.515 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -2.714 16.039 3.511 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -1.726 17.473 3.705 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -4.548 18.118 3.178 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -4.355 17.113 4.601 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -4.431 19.513 5.169 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -2.920 18.776 5.663 1.00 1.00 H new ATOM 0 HE ARG A 99 -3.257 20.552 3.269 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -1.084 19.373 5.857 1.00 1.00 H new ATOM 0 HH12 ARG A 99 0.214 20.431 5.293 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -1.485 21.759 2.664 1.00 1.00 H new ATOM 0 HH22 ARG A 99 0.003 21.683 3.615 1.00 1.00 H new ATOM 1224 N SER A 100 -0.685 18.365 0.873 1.00 1.00 N ATOM 1225 CA SER A 100 0.711 18.672 0.492 1.00 1.00 C ATOM 1226 C SER A 100 1.658 18.477 1.702 1.00 1.00 C ATOM 1227 O SER A 100 1.807 19.385 2.528 1.00 1.00 O ATOM 1228 CB SER A 100 0.811 20.091 -0.107 1.00 1.00 C ATOM 1229 OG SER A 100 0.566 21.067 0.882 1.00 1.00 O ATOM 0 H SER A 100 -1.261 19.207 0.861 1.00 1.00 H new ATOM 0 HA SER A 100 1.029 17.974 -0.283 1.00 1.00 H new ATOM 0 HB2 SER A 100 1.802 20.241 -0.536 1.00 1.00 H new ATOM 0 HB3 SER A 100 0.092 20.200 -0.919 1.00 1.00 H new ATOM 0 HG SER A 100 0.912 20.754 1.744 1.00 1.00 H new ATOM 1235 N GLY A 101 2.227 17.268 1.812 1.00 1.00 N ATOM 1236 CA GLY A 101 3.101 16.782 2.894 1.00 1.00 C ATOM 1237 C GLY A 101 4.468 16.271 2.399 1.00 1.00 C ATOM 1238 O GLY A 101 5.132 16.935 1.603 1.00 1.00 O ATOM 0 H GLY A 101 2.080 16.553 1.099 1.00 1.00 H new ATOM 0 HA2 GLY A 101 3.261 17.588 3.610 1.00 1.00 H new ATOM 0 HA3 GLY A 101 2.593 15.978 3.427 1.00 1.00 H new ATOM 1242 N ARG A 102 4.893 15.096 2.892 1.00 1.00 N ATOM 1243 CA ARG A 102 6.127 14.378 2.490 1.00 1.00 C ATOM 1244 C ARG A 102 6.067 13.874 1.027 1.00 1.00 C ATOM 1245 O ARG A 102 5.000 13.835 0.407 1.00 1.00 O ATOM 1246 CB ARG A 102 6.375 13.195 3.456 1.00 1.00 C ATOM 1247 CG ARG A 102 6.191 13.449 4.962 1.00 1.00 C ATOM 1248 CD ARG A 102 7.245 14.327 5.647 1.00 1.00 C ATOM 1249 NE ARG A 102 6.829 14.728 7.009 1.00 1.00 N ATOM 1250 CZ ARG A 102 6.956 14.015 8.124 1.00 1.00 C ATOM 1251 NH1 ARG A 102 7.549 12.860 8.196 1.00 1.00 N ATOM 1252 NH2 ARG A 102 6.456 14.408 9.255 1.00 1.00 N ATOM 0 H ARG A 102 4.370 14.595 3.610 1.00 1.00 H new ATOM 0 HA ARG A 102 6.955 15.084 2.548 1.00 1.00 H new ATOM 0 HB2 ARG A 102 5.707 12.383 3.169 1.00 1.00 H new ATOM 0 HB3 ARG A 102 7.394 12.841 3.298 1.00 1.00 H new ATOM 0 HG2 ARG A 102 5.215 13.910 5.112 1.00 1.00 H new ATOM 0 HG3 ARG A 102 6.170 12.485 5.469 1.00 1.00 H new ATOM 0 HD2 ARG A 102 8.189 13.785 5.701 1.00 1.00 H new ATOM 0 HD3 ARG A 102 7.422 15.218 5.045 1.00 1.00 H new ATOM 0 HE ARG A 102 6.400 15.648 7.102 1.00 1.00 H new ATOM 0 HH11 ARG A 102 7.956 12.443 7.359 1.00 1.00 H new ATOM 0 HH12 ARG A 102 7.607 12.371 9.089 1.00 1.00 H new ATOM 0 HH21 ARG A 102 5.946 15.290 9.308 1.00 1.00 H new ATOM 0 HH22 ARG A 102 6.573 13.835 10.091 1.00 1.00 H new ATOM 1266 N GLY A 103 7.209 13.422 0.485 1.00 1.00 N ATOM 1267 CA GLY A 103 7.309 12.807 -0.848 1.00 1.00 C ATOM 1268 C GLY A 103 6.606 11.442 -0.879 1.00 1.00 C ATOM 1269 O GLY A 103 5.435 11.332 -1.253 1.00 1.00 O ATOM 0 H GLY A 103 8.105 13.475 0.970 1.00 1.00 H new ATOM 0 HA2 GLY A 103 6.862 13.467 -1.591 1.00 1.00 H new ATOM 0 HA3 GLY A 103 8.358 12.686 -1.119 1.00 1.00 H new ATOM 1273 N LYS A 104 7.313 10.412 -0.388 1.00 1.00 N ATOM 1274 CA LYS A 104 6.834 9.034 -0.211 1.00 1.00 C ATOM 1275 C LYS A 104 5.803 8.987 0.937 1.00 1.00 C ATOM 1276 O LYS A 104 6.161 8.892 2.118 1.00 1.00 O ATOM 1277 CB LYS A 104 8.035 8.094 0.031 1.00 1.00 C ATOM 1278 CG LYS A 104 8.787 7.640 -1.230 1.00 1.00 C ATOM 1279 CD LYS A 104 9.697 8.680 -1.896 1.00 1.00 C ATOM 1280 CE LYS A 104 10.961 8.013 -2.450 1.00 1.00 C ATOM 1281 NZ LYS A 104 11.974 7.758 -1.404 1.00 1.00 N ATOM 0 H LYS A 104 8.282 10.524 -0.089 1.00 1.00 H new ATOM 0 HA LYS A 104 6.330 8.689 -1.113 1.00 1.00 H new ATOM 0 HB2 LYS A 104 8.741 8.598 0.691 1.00 1.00 H new ATOM 0 HB3 LYS A 104 7.680 7.209 0.559 1.00 1.00 H new ATOM 0 HG2 LYS A 104 9.393 6.772 -0.972 1.00 1.00 H new ATOM 0 HG3 LYS A 104 8.053 7.309 -1.964 1.00 1.00 H new ATOM 0 HD2 LYS A 104 9.159 9.179 -2.702 1.00 1.00 H new ATOM 0 HD3 LYS A 104 9.971 9.448 -1.173 1.00 1.00 H new ATOM 0 HE2 LYS A 104 10.691 7.071 -2.927 1.00 1.00 H new ATOM 0 HE3 LYS A 104 11.394 8.648 -3.223 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 12.808 7.306 -1.831 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 12.254 8.658 -0.965 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 11.573 7.130 -0.679 1.00 1.00 H new ATOM 1294 N SER A 105 4.514 9.074 0.588 1.00 1.00 N ATOM 1295 CA SER A 105 3.395 8.938 1.552 1.00 1.00 C ATOM 1296 C SER A 105 2.394 7.848 1.118 1.00 1.00 C ATOM 1297 O SER A 105 1.583 8.074 0.218 1.00 1.00 O ATOM 1298 CB SER A 105 2.672 10.296 1.737 1.00 1.00 C ATOM 1299 OG SER A 105 3.210 11.464 1.131 1.00 1.00 O ATOM 0 H SER A 105 4.208 9.241 -0.371 1.00 1.00 H new ATOM 0 HA SER A 105 3.820 8.631 2.507 1.00 1.00 H new ATOM 0 HB2 SER A 105 1.653 10.176 1.368 1.00 1.00 H new ATOM 0 HB3 SER A 105 2.603 10.486 2.808 1.00 1.00 H new ATOM 0 HG SER A 105 4.062 11.691 1.558 1.00 1.00 H new ATOM 1305 N PHE A 106 2.365 6.702 1.828 1.00 1.00 N ATOM 1306 CA PHE A 106 1.545 5.496 1.581 1.00 1.00 C ATOM 1307 C PHE A 106 0.945 4.833 2.858 1.00 1.00 C ATOM 1308 O PHE A 106 1.620 4.014 3.479 1.00 1.00 O ATOM 1309 CB PHE A 106 2.379 4.491 0.746 1.00 1.00 C ATOM 1310 CG PHE A 106 1.736 3.166 0.362 1.00 1.00 C ATOM 1311 CD1 PHE A 106 1.809 2.053 1.236 1.00 1.00 C ATOM 1312 CD2 PHE A 106 1.068 3.020 -0.876 1.00 1.00 C ATOM 1313 CE1 PHE A 106 1.150 0.849 0.919 1.00 1.00 C ATOM 1314 CE2 PHE A 106 0.415 1.809 -1.199 1.00 1.00 C ATOM 1315 CZ PHE A 106 0.441 0.731 -0.292 1.00 1.00 C ATOM 0 H PHE A 106 2.958 6.585 2.650 1.00 1.00 H new ATOM 0 HA PHE A 106 0.665 5.817 1.024 1.00 1.00 H new ATOM 0 HB2 PHE A 106 2.682 4.993 -0.173 1.00 1.00 H new ATOM 0 HB3 PHE A 106 3.289 4.270 1.303 1.00 1.00 H new ATOM 0 HD1 PHE A 106 2.375 2.128 2.153 1.00 1.00 H new ATOM 0 HD2 PHE A 106 1.057 3.840 -1.579 1.00 1.00 H new ATOM 0 HE1 PHE A 106 1.189 0.016 1.605 1.00 1.00 H new ATOM 0 HE2 PHE A 106 -0.104 1.710 -2.141 1.00 1.00 H new ATOM 0 HZ PHE A 106 -0.082 -0.185 -0.525 1.00 1.00 H new ATOM 1325 N THR A 107 -0.290 5.161 3.271 1.00 1.00 N ATOM 1326 CA THR A 107 -1.052 4.431 4.337 1.00 1.00 C ATOM 1327 C THR A 107 -2.529 4.269 3.890 1.00 1.00 C ATOM 1328 O THR A 107 -3.474 4.757 4.508 1.00 1.00 O ATOM 1329 CB THR A 107 -0.831 4.983 5.778 1.00 1.00 C ATOM 1330 OG1 THR A 107 0.474 4.701 6.256 1.00 1.00 O ATOM 1331 CG2 THR A 107 -1.710 4.335 6.867 1.00 1.00 C ATOM 0 H THR A 107 -0.807 5.948 2.879 1.00 1.00 H new ATOM 0 HA THR A 107 -0.640 3.427 4.438 1.00 1.00 H new ATOM 0 HB THR A 107 -1.058 6.041 5.649 1.00 1.00 H new ATOM 0 HG1 THR A 107 1.085 5.417 5.982 1.00 1.00 H new ATOM 0 HG21 THR A 107 -1.483 4.785 7.833 1.00 1.00 H new ATOM 0 HG22 THR A 107 -2.762 4.496 6.629 1.00 1.00 H new ATOM 0 HG23 THR A 107 -1.507 3.265 6.909 1.00 1.00 H new ATOM 1339 N LEU A 108 -2.723 3.578 2.753 1.00 1.00 N ATOM 1340 CA LEU A 108 -4.017 3.268 2.125 1.00 1.00 C ATOM 1341 C LEU A 108 -4.499 1.894 2.646 1.00 1.00 C ATOM 1342 O LEU A 108 -4.040 0.862 2.148 1.00 1.00 O ATOM 1343 CB LEU A 108 -3.901 3.311 0.579 1.00 1.00 C ATOM 1344 CG LEU A 108 -3.476 4.654 -0.066 1.00 1.00 C ATOM 1345 CD1 LEU A 108 -1.953 4.756 -0.206 1.00 1.00 C ATOM 1346 CD2 LEU A 108 -4.071 4.810 -1.475 1.00 1.00 C ATOM 0 H LEU A 108 -1.939 3.201 2.220 1.00 1.00 H new ATOM 0 HA LEU A 108 -4.760 4.019 2.394 1.00 1.00 H new ATOM 0 HB2 LEU A 108 -3.184 2.549 0.273 1.00 1.00 H new ATOM 0 HB3 LEU A 108 -4.867 3.027 0.161 1.00 1.00 H new ATOM 0 HG LEU A 108 -3.848 5.436 0.596 1.00 1.00 H new ATOM 0 HD11 LEU A 108 -1.693 5.711 -0.662 1.00 1.00 H new ATOM 0 HD12 LEU A 108 -1.492 4.687 0.779 1.00 1.00 H new ATOM 0 HD13 LEU A 108 -1.590 3.943 -0.835 1.00 1.00 H new ATOM 0 HD21 LEU A 108 -3.754 5.762 -1.900 1.00 1.00 H new ATOM 0 HD22 LEU A 108 -3.722 3.995 -2.109 1.00 1.00 H new ATOM 0 HD23 LEU A 108 -5.159 4.783 -1.415 1.00 1.00 H new ATOM 1358 N THR A 109 -5.379 1.863 3.666 1.00 1.00 N ATOM 1359 CA THR A 109 -5.766 0.591 4.353 1.00 1.00 C ATOM 1360 C THR A 109 -7.278 0.252 4.441 1.00 1.00 C ATOM 1361 O THR A 109 -8.172 1.040 4.129 1.00 1.00 O ATOM 1362 CB THR A 109 -5.071 0.445 5.730 1.00 1.00 C ATOM 1363 OG1 THR A 109 -5.565 1.368 6.665 1.00 1.00 O ATOM 1364 CG2 THR A 109 -3.546 0.601 5.711 1.00 1.00 C ATOM 0 H THR A 109 -5.839 2.693 4.039 1.00 1.00 H new ATOM 0 HA THR A 109 -5.389 -0.167 3.667 1.00 1.00 H new ATOM 0 HB THR A 109 -5.305 -0.581 6.013 1.00 1.00 H new ATOM 0 HG1 THR A 109 -6.112 2.039 6.205 1.00 1.00 H new ATOM 0 HG21 THR A 109 -3.155 0.482 6.722 1.00 1.00 H new ATOM 0 HG22 THR A 109 -3.111 -0.159 5.062 1.00 1.00 H new ATOM 0 HG23 THR A 109 -3.286 1.591 5.336 1.00 1.00 H new ATOM 1372 N ILE A 110 -7.551 -0.997 4.848 1.00 1.00 N ATOM 1373 CA ILE A 110 -8.857 -1.603 5.140 1.00 1.00 C ATOM 1374 C ILE A 110 -8.816 -2.128 6.592 1.00 1.00 C ATOM 1375 O ILE A 110 -8.034 -3.012 6.946 1.00 1.00 O ATOM 1376 CB ILE A 110 -9.273 -2.636 4.057 1.00 1.00 C ATOM 1377 CG1 ILE A 110 -10.611 -3.331 4.374 1.00 1.00 C ATOM 1378 CG2 ILE A 110 -8.252 -3.747 3.773 1.00 1.00 C ATOM 1379 CD1 ILE A 110 -11.847 -2.460 4.170 1.00 1.00 C ATOM 0 H ILE A 110 -6.796 -1.667 4.994 1.00 1.00 H new ATOM 0 HA ILE A 110 -9.660 -0.868 5.085 1.00 1.00 H new ATOM 0 HB ILE A 110 -9.352 -2.007 3.171 1.00 1.00 H new ATOM 0 HG12 ILE A 110 -10.701 -4.218 3.747 1.00 1.00 H new ATOM 0 HG13 ILE A 110 -10.591 -3.673 5.409 1.00 1.00 H new ATOM 0 HG21 ILE A 110 -8.643 -4.412 3.002 1.00 1.00 H new ATOM 0 HG22 ILE A 110 -7.317 -3.303 3.430 1.00 1.00 H new ATOM 0 HG23 ILE A 110 -8.070 -4.316 4.685 1.00 1.00 H new ATOM 0 HD11 ILE A 110 -12.741 -3.033 4.417 1.00 1.00 H new ATOM 0 HD12 ILE A 110 -11.786 -1.585 4.817 1.00 1.00 H new ATOM 0 HD13 ILE A 110 -11.898 -2.139 3.130 1.00 1.00 H new ATOM 1391 N THR A 111 -9.661 -1.533 7.439 1.00 1.00 N ATOM 1392 CA THR A 111 -9.711 -1.680 8.914 1.00 1.00 C ATOM 1393 C THR A 111 -11.086 -2.142 9.442 1.00 1.00 C ATOM 1394 O THR A 111 -12.036 -1.360 9.463 1.00 1.00 O ATOM 1395 CB THR A 111 -9.291 -0.344 9.600 1.00 1.00 C ATOM 1396 OG1 THR A 111 -9.964 0.789 9.065 1.00 1.00 O ATOM 1397 CG2 THR A 111 -7.791 -0.053 9.466 1.00 1.00 C ATOM 0 H THR A 111 -10.379 -0.892 7.100 1.00 1.00 H new ATOM 0 HA THR A 111 -9.004 -2.469 9.170 1.00 1.00 H new ATOM 0 HB THR A 111 -9.563 -0.494 10.645 1.00 1.00 H new ATOM 0 HG1 THR A 111 -10.804 0.504 8.648 1.00 1.00 H new ATOM 0 HG21 THR A 111 -7.557 0.889 9.962 1.00 1.00 H new ATOM 0 HG22 THR A 111 -7.221 -0.858 9.930 1.00 1.00 H new ATOM 0 HG23 THR A 111 -7.527 0.018 8.411 1.00 1.00 H new ATOM 1405 N VAL A 112 -11.231 -3.391 9.923 1.00 1.00 N ATOM 1406 CA VAL A 112 -12.511 -3.884 10.481 1.00 1.00 C ATOM 1407 C VAL A 112 -12.814 -3.251 11.860 1.00 1.00 C ATOM 1408 O VAL A 112 -11.946 -2.969 12.685 1.00 1.00 O ATOM 1409 CB VAL A 112 -12.573 -5.435 10.487 1.00 1.00 C ATOM 1410 CG1 VAL A 112 -13.449 -6.098 11.566 1.00 1.00 C ATOM 1411 CG2 VAL A 112 -12.993 -5.981 9.111 1.00 1.00 C ATOM 0 H VAL A 112 -10.479 -4.080 9.938 1.00 1.00 H new ATOM 0 HA VAL A 112 -13.313 -3.556 9.820 1.00 1.00 H new ATOM 0 HB VAL A 112 -11.548 -5.708 10.739 1.00 1.00 H new ATOM 0 HG11 VAL A 112 -13.403 -7.182 11.457 1.00 1.00 H new ATOM 0 HG12 VAL A 112 -13.084 -5.817 12.554 1.00 1.00 H new ATOM 0 HG13 VAL A 112 -14.481 -5.765 11.452 1.00 1.00 H new ATOM 0 HG21 VAL A 112 -13.027 -7.070 9.147 1.00 1.00 H new ATOM 0 HG22 VAL A 112 -13.979 -5.595 8.852 1.00 1.00 H new ATOM 0 HG23 VAL A 112 -12.271 -5.665 8.358 1.00 1.00 H new ATOM 1421 N PHE A 113 -14.119 -3.088 12.066 1.00 1.00 N ATOM 1422 CA PHE A 113 -14.884 -2.419 13.128 1.00 1.00 C ATOM 1423 C PHE A 113 -15.736 -3.447 13.914 1.00 1.00 C ATOM 1424 O PHE A 113 -16.949 -3.302 14.084 1.00 1.00 O ATOM 1425 CB PHE A 113 -15.716 -1.329 12.414 1.00 1.00 C ATOM 1426 CG PHE A 113 -16.053 -0.032 13.129 1.00 1.00 C ATOM 1427 CD1 PHE A 113 -17.070 0.022 14.112 1.00 1.00 C ATOM 1428 CD2 PHE A 113 -15.423 1.162 12.714 1.00 1.00 C ATOM 1429 CE1 PHE A 113 -17.436 1.262 14.688 1.00 1.00 C ATOM 1430 CE2 PHE A 113 -15.790 2.402 13.287 1.00 1.00 C ATOM 1431 CZ PHE A 113 -16.792 2.453 14.282 1.00 1.00 C ATOM 0 H PHE A 113 -14.768 -3.484 11.386 1.00 1.00 H new ATOM 0 HA PHE A 113 -14.250 -1.957 13.884 1.00 1.00 H new ATOM 0 HB2 PHE A 113 -15.185 -1.065 11.499 1.00 1.00 H new ATOM 0 HB3 PHE A 113 -16.659 -1.787 12.114 1.00 1.00 H new ATOM 0 HD1 PHE A 113 -17.568 -0.885 14.423 1.00 1.00 H new ATOM 0 HD2 PHE A 113 -14.656 1.128 11.954 1.00 1.00 H new ATOM 0 HE1 PHE A 113 -18.210 1.298 15.440 1.00 1.00 H new ATOM 0 HE2 PHE A 113 -15.304 3.311 12.964 1.00 1.00 H new ATOM 0 HZ PHE A 113 -17.064 3.397 14.730 1.00 1.00 H new ATOM 1441 N THR A 114 -15.130 -4.567 14.340 1.00 1.00 N ATOM 1442 CA THR A 114 -15.771 -5.646 15.137 1.00 1.00 C ATOM 1443 C THR A 114 -14.744 -6.289 16.096 1.00 1.00 C ATOM 1444 O THR A 114 -13.536 -6.103 15.933 1.00 1.00 O ATOM 1445 CB THR A 114 -16.496 -6.646 14.195 1.00 1.00 C ATOM 1446 OG1 THR A 114 -17.496 -5.939 13.489 1.00 1.00 O ATOM 1447 CG2 THR A 114 -17.252 -7.806 14.867 1.00 1.00 C ATOM 0 H THR A 114 -14.149 -4.760 14.137 1.00 1.00 H new ATOM 0 HA THR A 114 -16.547 -5.234 15.781 1.00 1.00 H new ATOM 0 HB THR A 114 -15.692 -7.075 13.597 1.00 1.00 H new ATOM 0 HG1 THR A 114 -17.477 -4.995 13.752 1.00 1.00 H new ATOM 0 HG21 THR A 114 -17.714 -8.431 14.102 1.00 1.00 H new ATOM 0 HG22 THR A 114 -16.554 -8.405 15.452 1.00 1.00 H new ATOM 0 HG23 THR A 114 -18.025 -7.405 15.523 1.00 1.00 H new ATOM 1455 N ASN A 115 -15.223 -7.018 17.120 1.00 1.00 N ATOM 1456 CA ASN A 115 -14.435 -7.599 18.221 1.00 1.00 C ATOM 1457 C ASN A 115 -13.105 -8.283 17.791 1.00 1.00 C ATOM 1458 O ASN A 115 -12.118 -8.099 18.504 1.00 1.00 O ATOM 1459 CB ASN A 115 -15.374 -8.470 19.072 1.00 1.00 C ATOM 1460 CG ASN A 115 -15.472 -8.042 20.533 1.00 1.00 C ATOM 1461 OD1 ASN A 115 -15.796 -6.914 20.863 1.00 1.00 O ATOM 1462 ND2 ASN A 115 -15.201 -8.922 21.463 1.00 1.00 N ATOM 0 H ASN A 115 -16.217 -7.228 17.206 1.00 1.00 H new ATOM 0 HA ASN A 115 -14.051 -6.790 18.843 1.00 1.00 H new ATOM 0 HB2 ASN A 115 -16.371 -8.448 18.631 1.00 1.00 H new ATOM 0 HB3 ASN A 115 -15.030 -9.503 19.030 1.00 1.00 H new ATOM 0 HD21 ASN A 115 -15.262 -8.660 22.447 1.00 1.00 H new ATOM 0 HD22 ASN A 115 -14.928 -9.870 21.204 1.00 1.00 H new ATOM 1469 N PRO A 116 -13.062 -9.077 16.692 1.00 1.00 N ATOM 1470 CA PRO A 116 -11.837 -9.582 16.066 1.00 1.00 C ATOM 1471 C PRO A 116 -11.368 -8.521 15.022 1.00 1.00 C ATOM 1472 O PRO A 116 -11.925 -8.480 13.919 1.00 1.00 O ATOM 1473 CB PRO A 116 -12.230 -10.911 15.403 1.00 1.00 C ATOM 1474 CG PRO A 116 -13.707 -10.712 15.046 1.00 1.00 C ATOM 1475 CD PRO A 116 -14.223 -9.689 16.059 1.00 1.00 C ATOM 0 HA PRO A 116 -11.017 -9.747 16.764 1.00 1.00 H new ATOM 0 HB2 PRO A 116 -11.627 -11.111 14.517 1.00 1.00 H new ATOM 0 HB3 PRO A 116 -12.091 -11.754 16.080 1.00 1.00 H new ATOM 0 HG2 PRO A 116 -13.821 -10.349 14.025 1.00 1.00 H new ATOM 0 HG3 PRO A 116 -14.260 -11.649 15.114 1.00 1.00 H new ATOM 0 HD2 PRO A 116 -14.833 -8.933 15.564 1.00 1.00 H new ATOM 0 HD3 PRO A 116 -14.856 -10.172 16.804 1.00 1.00 H new ATOM 1483 N PRO A 117 -10.392 -7.631 15.333 1.00 1.00 N ATOM 1484 CA PRO A 117 -9.991 -6.527 14.444 1.00 1.00 C ATOM 1485 C PRO A 117 -9.256 -7.045 13.195 1.00 1.00 C ATOM 1486 O PRO A 117 -8.186 -7.652 13.290 1.00 1.00 O ATOM 1487 CB PRO A 117 -9.099 -5.600 15.277 1.00 1.00 C ATOM 1488 CG PRO A 117 -8.506 -6.533 16.331 1.00 1.00 C ATOM 1489 CD PRO A 117 -9.545 -7.639 16.521 1.00 1.00 C ATOM 0 HA PRO A 117 -10.865 -5.993 14.072 1.00 1.00 H new ATOM 0 HB2 PRO A 117 -8.323 -5.136 14.669 1.00 1.00 H new ATOM 0 HB3 PRO A 117 -9.673 -4.793 15.732 1.00 1.00 H new ATOM 0 HG2 PRO A 117 -7.551 -6.943 16.001 1.00 1.00 H new ATOM 0 HG3 PRO A 117 -8.320 -6.003 17.265 1.00 1.00 H new ATOM 0 HD2 PRO A 117 -9.060 -8.608 16.644 1.00 1.00 H new ATOM 0 HD3 PRO A 117 -10.137 -7.463 17.419 1.00 1.00 H new ATOM 1497 N GLN A 118 -9.827 -6.794 12.010 1.00 1.00 N ATOM 1498 CA GLN A 118 -9.310 -7.306 10.727 1.00 1.00 C ATOM 1499 C GLN A 118 -8.715 -6.169 9.884 1.00 1.00 C ATOM 1500 O GLN A 118 -9.430 -5.428 9.209 1.00 1.00 O ATOM 1501 CB GLN A 118 -10.397 -8.083 9.972 1.00 1.00 C ATOM 1502 CG GLN A 118 -10.692 -9.462 10.572 1.00 1.00 C ATOM 1503 CD GLN A 118 -11.790 -10.174 9.800 1.00 1.00 C ATOM 1504 OE1 GLN A 118 -12.974 -9.917 9.937 1.00 1.00 O ATOM 1505 NE2 GLN A 118 -11.437 -11.083 8.927 1.00 1.00 N ATOM 0 H GLN A 118 -10.668 -6.225 11.910 1.00 1.00 H new ATOM 0 HA GLN A 118 -8.501 -8.007 10.933 1.00 1.00 H new ATOM 0 HB2 GLN A 118 -11.315 -7.495 9.965 1.00 1.00 H new ATOM 0 HB3 GLN A 118 -10.090 -8.206 8.933 1.00 1.00 H new ATOM 0 HG2 GLN A 118 -9.786 -10.067 10.562 1.00 1.00 H new ATOM 0 HG3 GLN A 118 -10.990 -9.352 11.615 1.00 1.00 H new ATOM 0 HE21 GLN A 118 -10.451 -11.311 8.799 1.00 1.00 H new ATOM 0 HE22 GLN A 118 -12.148 -11.563 8.375 1.00 1.00 H new ATOM 1514 N VAL A 119 -7.390 -6.022 9.969 1.00 1.00 N ATOM 1515 CA VAL A 119 -6.572 -4.970 9.338 1.00 1.00 C ATOM 1516 C VAL A 119 -5.731 -5.513 8.164 1.00 1.00 C ATOM 1517 O VAL A 119 -4.944 -6.445 8.330 1.00 1.00 O ATOM 1518 CB VAL A 119 -5.731 -4.192 10.388 1.00 1.00 C ATOM 1519 CG1 VAL A 119 -6.662 -3.496 11.406 1.00 1.00 C ATOM 1520 CG2 VAL A 119 -4.697 -5.031 11.168 1.00 1.00 C ATOM 0 H VAL A 119 -6.821 -6.671 10.512 1.00 1.00 H new ATOM 0 HA VAL A 119 -7.255 -4.244 8.897 1.00 1.00 H new ATOM 0 HB VAL A 119 -5.159 -3.475 9.798 1.00 1.00 H new ATOM 0 HG11 VAL A 119 -6.062 -2.954 12.137 1.00 1.00 H new ATOM 0 HG12 VAL A 119 -7.315 -2.797 10.883 1.00 1.00 H new ATOM 0 HG13 VAL A 119 -7.267 -4.245 11.917 1.00 1.00 H new ATOM 0 HG21 VAL A 119 -4.166 -4.391 11.873 1.00 1.00 H new ATOM 0 HG22 VAL A 119 -5.209 -5.825 11.713 1.00 1.00 H new ATOM 0 HG23 VAL A 119 -3.985 -5.471 10.470 1.00 1.00 H new ATOM 1530 N ALA A 120 -5.921 -4.929 6.973 1.00 1.00 N ATOM 1531 CA ALA A 120 -5.202 -5.192 5.711 1.00 1.00 C ATOM 1532 C ALA A 120 -4.951 -3.892 4.891 1.00 1.00 C ATOM 1533 O ALA A 120 -5.455 -2.818 5.227 1.00 1.00 O ATOM 1534 CB ALA A 120 -5.888 -6.336 4.936 1.00 1.00 C ATOM 0 H ALA A 120 -6.632 -4.207 6.854 1.00 1.00 H new ATOM 0 HA ALA A 120 -4.196 -5.546 5.938 1.00 1.00 H new ATOM 0 HB1 ALA A 120 -5.349 -6.521 4.007 1.00 1.00 H new ATOM 0 HB2 ALA A 120 -5.884 -7.241 5.544 1.00 1.00 H new ATOM 0 HB3 ALA A 120 -6.917 -6.056 4.709 1.00 1.00 H new ATOM 1540 N THR A 121 -4.107 -3.942 3.845 1.00 1.00 N ATOM 1541 CA THR A 121 -3.630 -2.768 3.052 1.00 1.00 C ATOM 1542 C THR A 121 -4.059 -2.816 1.571 1.00 1.00 C ATOM 1543 O THR A 121 -4.107 -3.894 0.971 1.00 1.00 O ATOM 1544 CB THR A 121 -2.092 -2.633 3.166 1.00 1.00 C ATOM 1545 OG1 THR A 121 -1.742 -2.465 4.525 1.00 1.00 O ATOM 1546 CG2 THR A 121 -1.469 -1.445 2.423 1.00 1.00 C ATOM 0 H THR A 121 -3.719 -4.823 3.508 1.00 1.00 H new ATOM 0 HA THR A 121 -4.108 -1.888 3.482 1.00 1.00 H new ATOM 0 HB THR A 121 -1.708 -3.545 2.710 1.00 1.00 H new ATOM 0 HG1 THR A 121 -0.769 -2.381 4.604 1.00 1.00 H new ATOM 0 HG21 THR A 121 -0.389 -1.449 2.572 1.00 1.00 H new ATOM 0 HG22 THR A 121 -1.689 -1.526 1.359 1.00 1.00 H new ATOM 0 HG23 THR A 121 -1.885 -0.515 2.810 1.00 1.00 H new ATOM 1554 N TYR A 122 -4.335 -1.655 0.956 1.00 1.00 N ATOM 1555 CA TYR A 122 -4.585 -1.502 -0.489 1.00 1.00 C ATOM 1556 C TYR A 122 -3.219 -1.293 -1.178 1.00 1.00 C ATOM 1557 O TYR A 122 -2.543 -0.291 -0.926 1.00 1.00 O ATOM 1558 CB TYR A 122 -5.531 -0.307 -0.752 1.00 1.00 C ATOM 1559 CG TYR A 122 -5.599 0.170 -2.197 1.00 1.00 C ATOM 1560 CD1 TYR A 122 -4.687 1.152 -2.661 1.00 1.00 C ATOM 1561 CD2 TYR A 122 -6.546 -0.383 -3.083 1.00 1.00 C ATOM 1562 CE1 TYR A 122 -4.708 1.569 -4.008 1.00 1.00 C ATOM 1563 CE2 TYR A 122 -6.576 0.030 -4.435 1.00 1.00 C ATOM 1564 CZ TYR A 122 -5.656 1.001 -4.899 1.00 1.00 C ATOM 1565 OH TYR A 122 -5.634 1.357 -6.208 1.00 1.00 O ATOM 0 H TYR A 122 -4.392 -0.772 1.463 1.00 1.00 H new ATOM 0 HA TYR A 122 -5.074 -2.390 -0.891 1.00 1.00 H new ATOM 0 HB2 TYR A 122 -6.535 -0.584 -0.431 1.00 1.00 H new ATOM 0 HB3 TYR A 122 -5.216 0.528 -0.127 1.00 1.00 H new ATOM 0 HD1 TYR A 122 -3.971 1.584 -1.978 1.00 1.00 H new ATOM 0 HD2 TYR A 122 -7.249 -1.123 -2.729 1.00 1.00 H new ATOM 0 HE1 TYR A 122 -4.009 2.314 -4.359 1.00 1.00 H new ATOM 0 HE2 TYR A 122 -7.301 -0.395 -5.114 1.00 1.00 H new ATOM 0 HH TYR A 122 -6.344 0.882 -6.688 1.00 1.00 H new ATOM 1575 N HIS A 123 -2.823 -2.247 -2.043 1.00 1.00 N ATOM 1576 CA HIS A 123 -1.505 -2.346 -2.711 1.00 1.00 C ATOM 1577 C HIS A 123 -0.358 -2.817 -1.777 1.00 1.00 C ATOM 1578 O HIS A 123 -0.476 -2.866 -0.557 1.00 1.00 O ATOM 1579 CB HIS A 123 -1.157 -0.979 -3.346 1.00 1.00 C ATOM 1580 CG HIS A 123 -1.325 -0.797 -4.824 1.00 1.00 C ATOM 1581 ND1 HIS A 123 -2.399 -0.175 -5.417 1.00 1.00 N ATOM 1582 CD2 HIS A 123 -0.402 -1.090 -5.787 1.00 1.00 C ATOM 1583 CE1 HIS A 123 -2.131 -0.073 -6.734 1.00 1.00 C ATOM 1584 NE2 HIS A 123 -0.926 -0.636 -6.988 1.00 1.00 N ATOM 0 H HIS A 123 -3.444 -3.010 -2.310 1.00 1.00 H new ATOM 0 HA HIS A 123 -1.593 -3.117 -3.476 1.00 1.00 H new ATOM 0 HB2 HIS A 123 -1.766 -0.222 -2.851 1.00 1.00 H new ATOM 0 HB3 HIS A 123 -0.117 -0.760 -3.104 1.00 1.00 H new ATOM 0 HD1 HIS A 123 -3.244 0.150 -4.946 1.00 1.00 H new ATOM 0 HD2 HIS A 123 0.550 -1.579 -5.642 1.00 1.00 H new ATOM 0 HE1 HIS A 123 -2.775 0.385 -7.470 1.00 1.00 H new ATOM 1593 N ARG A 124 0.796 -3.095 -2.403 1.00 1.00 N ATOM 1594 CA ARG A 124 2.117 -3.405 -1.799 1.00 1.00 C ATOM 1595 C ARG A 124 3.291 -2.635 -2.458 1.00 1.00 C ATOM 1596 O ARG A 124 4.438 -3.076 -2.430 1.00 1.00 O ATOM 1597 CB ARG A 124 2.324 -4.935 -1.728 1.00 1.00 C ATOM 1598 CG ARG A 124 2.591 -5.650 -3.059 1.00 1.00 C ATOM 1599 CD ARG A 124 1.828 -6.973 -3.148 1.00 1.00 C ATOM 1600 NE ARG A 124 2.257 -7.822 -4.277 1.00 1.00 N ATOM 1601 CZ ARG A 124 3.121 -8.820 -4.240 1.00 1.00 C ATOM 1602 NH1 ARG A 124 3.686 -9.228 -3.145 1.00 1.00 N ATOM 1603 NH2 ARG A 124 3.438 -9.466 -5.322 1.00 1.00 N ATOM 0 H ARG A 124 0.842 -3.112 -3.422 1.00 1.00 H new ATOM 0 HA ARG A 124 2.115 -3.034 -0.774 1.00 1.00 H new ATOM 0 HB2 ARG A 124 3.160 -5.136 -1.059 1.00 1.00 H new ATOM 0 HB3 ARG A 124 1.438 -5.379 -1.273 1.00 1.00 H new ATOM 0 HG2 ARG A 124 2.297 -5.003 -3.886 1.00 1.00 H new ATOM 0 HG3 ARG A 124 3.660 -5.837 -3.165 1.00 1.00 H new ATOM 0 HD2 ARG A 124 1.961 -7.524 -2.217 1.00 1.00 H new ATOM 0 HD3 ARG A 124 0.763 -6.764 -3.245 1.00 1.00 H new ATOM 0 HE ARG A 124 1.841 -7.615 -5.185 1.00 1.00 H new ATOM 0 HH11 ARG A 124 3.469 -8.772 -2.259 1.00 1.00 H new ATOM 0 HH12 ARG A 124 4.347 -10.004 -3.171 1.00 1.00 H new ATOM 0 HH21 ARG A 124 3.018 -9.204 -6.214 1.00 1.00 H new ATOM 0 HH22 ARG A 124 4.107 -10.235 -5.279 1.00 1.00 H new ATOM 1617 N ALA A 125 2.984 -1.487 -3.083 1.00 1.00 N ATOM 1618 CA ALA A 125 3.886 -0.652 -3.881 1.00 1.00 C ATOM 1619 C ALA A 125 3.644 0.843 -3.577 1.00 1.00 C ATOM 1620 O ALA A 125 2.542 1.358 -3.784 1.00 1.00 O ATOM 1621 CB ALA A 125 3.698 -1.003 -5.371 1.00 1.00 C ATOM 0 H ALA A 125 2.043 -1.097 -3.040 1.00 1.00 H new ATOM 0 HA ALA A 125 4.925 -0.850 -3.620 1.00 1.00 H new ATOM 0 HB1 ALA A 125 4.364 -0.388 -5.976 1.00 1.00 H new ATOM 0 HB2 ALA A 125 3.932 -2.056 -5.529 1.00 1.00 H new ATOM 0 HB3 ALA A 125 2.665 -0.813 -5.662 1.00 1.00 H new ATOM 1627 N ILE A 126 4.685 1.529 -3.080 1.00 1.00 N ATOM 1628 CA ILE A 126 4.739 2.978 -2.802 1.00 1.00 C ATOM 1629 C ILE A 126 4.616 3.791 -4.116 1.00 1.00 C ATOM 1630 O ILE A 126 5.608 4.144 -4.757 1.00 1.00 O ATOM 1631 CB ILE A 126 5.969 3.352 -1.913 1.00 1.00 C ATOM 1632 CG1 ILE A 126 6.186 4.877 -1.753 1.00 1.00 C ATOM 1633 CG2 ILE A 126 7.312 2.730 -2.366 1.00 1.00 C ATOM 1634 CD1 ILE A 126 5.018 5.660 -1.153 1.00 1.00 C ATOM 0 H ILE A 126 5.562 1.064 -2.847 1.00 1.00 H new ATOM 0 HA ILE A 126 3.875 3.258 -2.200 1.00 1.00 H new ATOM 0 HB ILE A 126 5.689 2.917 -0.953 1.00 1.00 H new ATOM 0 HG12 ILE A 126 7.064 5.035 -1.127 1.00 1.00 H new ATOM 0 HG13 ILE A 126 6.414 5.296 -2.733 1.00 1.00 H new ATOM 0 HG21 ILE A 126 8.106 3.046 -1.689 1.00 1.00 H new ATOM 0 HG22 ILE A 126 7.233 1.643 -2.350 1.00 1.00 H new ATOM 0 HG23 ILE A 126 7.544 3.062 -3.378 1.00 1.00 H new ATOM 0 HD11 ILE A 126 5.282 6.715 -1.088 1.00 1.00 H new ATOM 0 HD12 ILE A 126 4.139 5.544 -1.787 1.00 1.00 H new ATOM 0 HD13 ILE A 126 4.799 5.279 -0.155 1.00 1.00 H new ATOM 1646 N LYS A 127 3.364 4.063 -4.522 1.00 1.00 N ATOM 1647 CA LYS A 127 2.965 4.721 -5.779 1.00 1.00 C ATOM 1648 C LYS A 127 2.038 5.930 -5.520 1.00 1.00 C ATOM 1649 O LYS A 127 0.820 5.819 -5.645 1.00 1.00 O ATOM 1650 CB LYS A 127 2.328 3.656 -6.697 1.00 1.00 C ATOM 1651 CG LYS A 127 3.279 2.591 -7.256 1.00 1.00 C ATOM 1652 CD LYS A 127 3.777 2.987 -8.654 1.00 1.00 C ATOM 1653 CE LYS A 127 4.156 1.807 -9.548 1.00 1.00 C ATOM 1654 NZ LYS A 127 2.973 1.150 -10.138 1.00 1.00 N ATOM 0 H LYS A 127 2.557 3.816 -3.949 1.00 1.00 H new ATOM 0 HA LYS A 127 3.838 5.138 -6.280 1.00 1.00 H new ATOM 0 HB2 LYS A 127 1.538 3.152 -6.141 1.00 1.00 H new ATOM 0 HB3 LYS A 127 1.853 4.166 -7.535 1.00 1.00 H new ATOM 0 HG2 LYS A 127 4.128 2.466 -6.584 1.00 1.00 H new ATOM 0 HG3 LYS A 127 2.768 1.630 -7.306 1.00 1.00 H new ATOM 0 HD2 LYS A 127 3.001 3.569 -9.151 1.00 1.00 H new ATOM 0 HD3 LYS A 127 4.644 3.638 -8.546 1.00 1.00 H new ATOM 0 HE2 LYS A 127 4.812 2.154 -10.346 1.00 1.00 H new ATOM 0 HE3 LYS A 127 4.721 1.079 -8.965 1.00 1.00 H new ATOM 0 HZ1 LYS A 127 3.279 0.356 -10.736 1.00 1.00 H new ATOM 0 HZ2 LYS A 127 2.358 0.794 -9.378 1.00 1.00 H new ATOM 0 HZ3 LYS A 127 2.447 1.836 -10.716 1.00 1.00 H new ATOM 1667 N ILE A 128 2.618 7.092 -5.173 1.00 1.00 N ATOM 1668 CA ILE A 128 1.939 8.402 -5.003 1.00 1.00 C ATOM 1669 C ILE A 128 2.789 9.525 -5.642 1.00 1.00 C ATOM 1670 O ILE A 128 3.934 9.742 -5.248 1.00 1.00 O ATOM 1671 CB ILE A 128 1.604 8.698 -3.513 1.00 1.00 C ATOM 1672 CG1 ILE A 128 0.566 7.723 -2.913 1.00 1.00 C ATOM 1673 CG2 ILE A 128 1.001 10.105 -3.322 1.00 1.00 C ATOM 1674 CD1 ILE A 128 1.074 6.398 -2.330 1.00 1.00 C ATOM 0 H ILE A 128 3.620 7.153 -4.993 1.00 1.00 H new ATOM 0 HA ILE A 128 0.982 8.360 -5.523 1.00 1.00 H new ATOM 0 HB ILE A 128 2.564 8.595 -3.008 1.00 1.00 H new ATOM 0 HG12 ILE A 128 0.029 8.251 -2.124 1.00 1.00 H new ATOM 0 HG13 ILE A 128 -0.160 7.489 -3.691 1.00 1.00 H new ATOM 0 HG21 ILE A 128 0.783 10.267 -2.266 1.00 1.00 H new ATOM 0 HG22 ILE A 128 1.713 10.856 -3.665 1.00 1.00 H new ATOM 0 HG23 ILE A 128 0.080 10.188 -3.899 1.00 1.00 H new ATOM 0 HD11 ILE A 128 0.231 5.822 -1.948 1.00 1.00 H new ATOM 0 HD12 ILE A 128 1.580 5.828 -3.109 1.00 1.00 H new ATOM 0 HD13 ILE A 128 1.772 6.602 -1.518 1.00 1.00 H new ATOM 1686 N THR A 129 2.230 10.221 -6.645 1.00 1.00 N ATOM 1687 CA THR A 129 2.895 11.293 -7.434 1.00 1.00 C ATOM 1688 C THR A 129 2.826 12.635 -6.680 1.00 1.00 C ATOM 1689 O THR A 129 1.735 13.114 -6.359 1.00 1.00 O ATOM 1690 CB THR A 129 2.267 11.457 -8.841 1.00 1.00 C ATOM 1691 OG1 THR A 129 2.137 10.209 -9.493 1.00 1.00 O ATOM 1692 CG2 THR A 129 3.089 12.381 -9.746 1.00 1.00 C ATOM 0 H THR A 129 1.270 10.054 -6.946 1.00 1.00 H new ATOM 0 HA THR A 129 3.936 10.996 -7.563 1.00 1.00 H new ATOM 0 HB THR A 129 1.286 11.902 -8.675 1.00 1.00 H new ATOM 0 HG1 THR A 129 1.332 9.753 -9.169 1.00 1.00 H new ATOM 0 HG21 THR A 129 2.605 12.461 -10.719 1.00 1.00 H new ATOM 0 HG22 THR A 129 3.157 13.369 -9.292 1.00 1.00 H new ATOM 0 HG23 THR A 129 4.091 11.970 -9.872 1.00 1.00 H new ATOM 1700 N VAL A 130 3.986 13.258 -6.420 1.00 1.00 N ATOM 1701 CA VAL A 130 4.124 14.462 -5.557 1.00 1.00 C ATOM 1702 C VAL A 130 3.618 15.772 -6.204 1.00 1.00 C ATOM 1703 O VAL A 130 3.016 16.594 -5.511 1.00 1.00 O ATOM 1704 CB VAL A 130 5.565 14.585 -4.991 1.00 1.00 C ATOM 1705 CG1 VAL A 130 5.704 15.792 -4.040 1.00 1.00 C ATOM 1706 CG2 VAL A 130 5.962 13.329 -4.184 1.00 1.00 C ATOM 0 H VAL A 130 4.875 12.941 -6.806 1.00 1.00 H new ATOM 0 HA VAL A 130 3.450 14.306 -4.715 1.00 1.00 H new ATOM 0 HB VAL A 130 6.215 14.708 -5.857 1.00 1.00 H new ATOM 0 HG11 VAL A 130 6.726 15.844 -3.665 1.00 1.00 H new ATOM 0 HG12 VAL A 130 5.468 16.709 -4.580 1.00 1.00 H new ATOM 0 HG13 VAL A 130 5.016 15.677 -3.203 1.00 1.00 H new ATOM 0 HG21 VAL A 130 6.976 13.447 -3.802 1.00 1.00 H new ATOM 0 HG22 VAL A 130 5.273 13.200 -3.350 1.00 1.00 H new ATOM 0 HG23 VAL A 130 5.918 12.452 -4.830 1.00 1.00 H new ATOM 1716 N ASP A 131 3.805 15.914 -7.521 1.00 1.00 N ATOM 1717 CA ASP A 131 3.374 16.959 -8.466 1.00 1.00 C ATOM 1718 C ASP A 131 1.894 17.386 -8.300 1.00 1.00 C ATOM 1719 O ASP A 131 1.589 18.578 -8.333 1.00 1.00 O ATOM 1720 CB ASP A 131 3.644 16.441 -9.913 1.00 1.00 C ATOM 1721 CG ASP A 131 4.870 15.536 -10.185 1.00 1.00 C ATOM 1722 OD1 ASP A 131 5.733 15.408 -9.284 1.00 1.00 O ATOM 1723 OD2 ASP A 131 4.862 14.871 -11.242 1.00 1.00 O ATOM 0 H ASP A 131 4.336 15.200 -8.020 1.00 1.00 H new ATOM 0 HA ASP A 131 3.950 17.860 -8.256 1.00 1.00 H new ATOM 0 HB2 ASP A 131 2.757 15.894 -10.234 1.00 1.00 H new ATOM 0 HB3 ASP A 131 3.733 17.313 -10.560 1.00 1.00 H new ATOM 1728 N GLY A 132 0.983 16.423 -8.058 1.00 1.00 N ATOM 1729 CA GLY A 132 -0.448 16.646 -7.803 1.00 1.00 C ATOM 1730 C GLY A 132 -1.260 17.183 -9.008 1.00 1.00 C ATOM 1731 O GLY A 132 -0.908 16.940 -10.166 1.00 1.00 O ATOM 0 H GLY A 132 1.235 15.435 -8.035 1.00 1.00 H new ATOM 0 HA2 GLY A 132 -0.893 15.706 -7.476 1.00 1.00 H new ATOM 0 HA3 GLY A 132 -0.547 17.350 -6.977 1.00 1.00 H new