USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 919 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 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 37 ASN : amide:sc= 0.00354 K(o=0.11,f=-2.5) USER MOD Set 1.3: A 79 THR OG1 : rot -72:sc= 0.107 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 35:sc= 1.06 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 17:sc= 0.555 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 19 HIS : no HE2:sc= -0.0371 K(o=-0.037,f=-1.5) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00582 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00249 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 150:sc= -0.339 (180deg=-1.71!) USER MOD Single : A 47 ASN :FLIP amide:sc= -6.45! C(o=-7.7!,f=-6.4!) USER MOD Single : A 48 SER OG : rot 100:sc= -0.76 USER MOD Single : A 53 TYR OH : rot 90:sc= 0 USER MOD Single : A 57 MET CE :methyl 167:sc= -0.72 (180deg=-1.04) USER MOD Single : A 58 SER OG : rot 81:sc= 0.635 USER MOD Single : A 60 ASN : amide:sc= -1.36 K(o=-1.4,f=-2.4!) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -59:sc= 0.984 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 64:sc= -1.61 USER MOD Single : A 90 GLN : amide:sc= -1.98 X(o=-2,f=-1.6) USER MOD Single : A 94 CYS SG : rot -122:sc= 0.758 USER MOD Single : A 97 ASN : amide:sc= -9.7! C(o=-9.7!,f=-20!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 160:sc= -1.13 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 110:sc= 0.00339 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 46:sc= 0.824 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.802 -20.419 23.022 1.00 0.00 N ATOM 2 CA GLY A 1 -4.532 -21.249 22.079 1.00 0.00 C ATOM 3 C GLY A 1 -3.908 -21.172 20.684 1.00 0.00 C ATOM 4 O GLY A 1 -3.943 -20.123 20.042 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.245 -20.488 23.961 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.816 -20.744 23.079 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.822 -19.430 22.702 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.533 -22.283 22.424 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.572 -20.926 22.034 1.00 0.00 H new ATOM 8 N SER A 2 -3.353 -22.296 20.256 1.00 0.00 N ATOM 9 CA SER A 2 -2.723 -22.370 18.949 1.00 0.00 C ATOM 10 C SER A 2 -1.557 -21.382 18.874 1.00 0.00 C ATOM 11 O SER A 2 -1.766 -20.181 18.706 1.00 0.00 O ATOM 12 CB SER A 2 -3.732 -22.086 17.835 1.00 0.00 C ATOM 13 OG SER A 2 -4.266 -23.284 17.280 1.00 0.00 O ATOM 0 H SER A 2 -3.326 -23.164 20.792 1.00 0.00 H new ATOM 0 HA SER A 2 -2.343 -23.382 18.809 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.545 -21.475 18.229 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.250 -21.506 17.048 1.00 0.00 H new ATOM 0 HG SER A 2 -4.907 -23.060 16.574 1.00 0.00 H new ATOM 19 N SER A 3 -0.355 -21.923 19.002 1.00 0.00 N ATOM 20 CA SER A 3 0.844 -21.105 18.951 1.00 0.00 C ATOM 21 C SER A 3 1.704 -21.510 17.752 1.00 0.00 C ATOM 22 O SER A 3 2.459 -22.479 17.824 1.00 0.00 O ATOM 23 CB SER A 3 1.649 -21.225 20.246 1.00 0.00 C ATOM 24 OG SER A 3 2.167 -22.540 20.432 1.00 0.00 O ATOM 0 H SER A 3 -0.186 -22.919 19.141 1.00 0.00 H new ATOM 0 HA SER A 3 0.542 -20.064 18.838 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.472 -20.510 20.229 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.015 -20.962 21.093 1.00 0.00 H new ATOM 0 HG SER A 3 2.410 -22.922 19.563 1.00 0.00 H new ATOM 30 N GLY A 4 1.561 -20.749 16.677 1.00 0.00 N ATOM 31 CA GLY A 4 2.315 -21.016 15.464 1.00 0.00 C ATOM 32 C GLY A 4 2.101 -19.910 14.430 1.00 0.00 C ATOM 33 O GLY A 4 1.224 -20.017 13.573 1.00 0.00 O ATOM 0 H GLY A 4 0.934 -19.947 16.621 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.376 -21.096 15.701 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.009 -21.974 15.045 1.00 0.00 H new ATOM 37 N SER A 5 2.916 -18.872 14.543 1.00 0.00 N ATOM 38 CA SER A 5 2.826 -17.746 13.628 1.00 0.00 C ATOM 39 C SER A 5 2.896 -18.241 12.182 1.00 0.00 C ATOM 40 O SER A 5 1.981 -18.002 11.396 1.00 0.00 O ATOM 41 CB SER A 5 3.937 -16.729 13.896 1.00 0.00 C ATOM 42 OG SER A 5 3.584 -15.423 13.450 1.00 0.00 O ATOM 0 H SER A 5 3.642 -18.787 15.254 1.00 0.00 H new ATOM 0 HA SER A 5 1.869 -17.249 13.789 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.153 -16.701 14.964 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.850 -17.049 13.394 1.00 0.00 H new ATOM 0 HG SER A 5 4.318 -14.803 13.641 1.00 0.00 H new ATOM 48 N SER A 6 3.991 -18.921 11.875 1.00 0.00 N ATOM 49 CA SER A 6 4.192 -19.452 10.538 1.00 0.00 C ATOM 50 C SER A 6 5.158 -20.637 10.584 1.00 0.00 C ATOM 51 O SER A 6 4.811 -21.742 10.169 1.00 0.00 O ATOM 52 CB SER A 6 4.722 -18.372 9.591 1.00 0.00 C ATOM 53 OG SER A 6 3.680 -17.532 9.103 1.00 0.00 O ATOM 0 H SER A 6 4.748 -19.116 12.530 1.00 0.00 H new ATOM 0 HA SER A 6 3.229 -19.792 10.157 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.463 -17.765 10.112 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.230 -18.844 8.751 1.00 0.00 H new ATOM 0 HG SER A 6 2.885 -17.636 9.667 1.00 0.00 H new ATOM 59 N GLY A 7 6.351 -20.367 11.094 1.00 0.00 N ATOM 60 CA GLY A 7 7.370 -21.398 11.200 1.00 0.00 C ATOM 61 C GLY A 7 8.703 -20.914 10.625 1.00 0.00 C ATOM 62 O GLY A 7 9.181 -19.837 10.980 1.00 0.00 O ATOM 0 H GLY A 7 6.635 -19.450 11.438 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.501 -21.678 12.245 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.044 -22.292 10.669 1.00 0.00 H new ATOM 66 N ARG A 8 9.265 -21.732 9.748 1.00 0.00 N ATOM 67 CA ARG A 8 10.533 -21.401 9.121 1.00 0.00 C ATOM 68 C ARG A 8 11.631 -21.274 10.179 1.00 0.00 C ATOM 69 O ARG A 8 11.434 -20.635 11.211 1.00 0.00 O ATOM 70 CB ARG A 8 10.434 -20.089 8.339 1.00 0.00 C ATOM 71 CG ARG A 8 10.933 -20.267 6.904 1.00 0.00 C ATOM 72 CD ARG A 8 9.799 -20.051 5.899 1.00 0.00 C ATOM 73 NE ARG A 8 10.337 -19.473 4.647 1.00 0.00 N ATOM 74 CZ ARG A 8 9.614 -19.289 3.534 1.00 0.00 C ATOM 75 NH1 ARG A 8 8.320 -19.636 3.510 1.00 0.00 N ATOM 76 NH2 ARG A 8 10.185 -18.757 2.444 1.00 0.00 N ATOM 0 H ARG A 8 8.865 -22.624 9.457 1.00 0.00 H new ATOM 0 HA ARG A 8 10.781 -22.206 8.429 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.400 -19.745 8.328 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.021 -19.318 8.839 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.739 -19.561 6.705 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.348 -21.268 6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.303 -20.998 5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.047 -19.385 6.323 1.00 0.00 H new ATOM 0 HE ARG A 8 11.319 -19.198 4.631 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.885 -20.040 4.339 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.770 -19.496 2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.170 -18.492 2.462 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.635 -18.617 1.597 1.00 0.00 H new ATOM 90 N SER A 9 12.765 -21.895 9.886 1.00 0.00 N ATOM 91 CA SER A 9 13.894 -21.860 10.798 1.00 0.00 C ATOM 92 C SER A 9 14.709 -20.584 10.575 1.00 0.00 C ATOM 93 O SER A 9 14.997 -20.220 9.436 1.00 0.00 O ATOM 94 CB SER A 9 14.782 -23.094 10.624 1.00 0.00 C ATOM 95 OG SER A 9 14.050 -24.306 10.790 1.00 0.00 O ATOM 0 H SER A 9 12.925 -22.425 9.029 1.00 0.00 H new ATOM 0 HA SER A 9 13.509 -21.864 11.818 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.236 -23.077 9.633 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.596 -23.060 11.348 1.00 0.00 H new ATOM 0 HG SER A 9 14.651 -25.070 10.670 1.00 0.00 H new ATOM 101 N ALA A 10 15.057 -19.941 11.680 1.00 0.00 N ATOM 102 CA ALA A 10 15.833 -18.714 11.618 1.00 0.00 C ATOM 103 C ALA A 10 17.202 -18.949 12.260 1.00 0.00 C ATOM 104 O ALA A 10 17.299 -19.146 13.470 1.00 0.00 O ATOM 105 CB ALA A 10 15.057 -17.585 12.298 1.00 0.00 C ATOM 0 H ALA A 10 14.816 -20.246 12.623 1.00 0.00 H new ATOM 0 HA ALA A 10 16.001 -18.417 10.583 1.00 0.00 H new ATOM 0 HB1 ALA A 10 15.639 -16.664 12.252 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.105 -17.439 11.787 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.873 -17.846 13.340 1.00 0.00 H new ATOM 111 N HIS A 11 18.226 -18.921 11.420 1.00 0.00 N ATOM 112 CA HIS A 11 19.586 -19.128 11.890 1.00 0.00 C ATOM 113 C HIS A 11 20.554 -19.056 10.707 1.00 0.00 C ATOM 114 O HIS A 11 21.451 -18.215 10.685 1.00 0.00 O ATOM 115 CB HIS A 11 19.697 -20.440 12.669 1.00 0.00 C ATOM 116 CG HIS A 11 20.186 -20.272 14.088 1.00 0.00 C ATOM 117 ND1 HIS A 11 19.381 -20.498 15.190 1.00 0.00 N ATOM 118 CD2 HIS A 11 21.405 -19.898 14.572 1.00 0.00 C ATOM 119 CE1 HIS A 11 20.093 -20.268 16.283 1.00 0.00 C ATOM 120 NE2 HIS A 11 21.347 -19.895 15.898 1.00 0.00 N ATOM 0 H HIS A 11 18.142 -18.758 10.417 1.00 0.00 H new ATOM 0 HA HIS A 11 19.859 -18.335 12.587 1.00 0.00 H new ATOM 0 HB2 HIS A 11 18.720 -20.924 12.687 1.00 0.00 H new ATOM 0 HB3 HIS A 11 20.375 -21.109 12.139 1.00 0.00 H new ATOM 0 HD2 HIS A 11 22.271 -19.647 13.977 1.00 0.00 H new ATOM 0 HE1 HIS A 11 19.742 -20.360 17.300 1.00 0.00 H new ATOM 0 HE2 HIS A 11 22.114 -19.654 16.526 1.00 0.00 H new ATOM 128 N LEU A 12 20.340 -19.951 9.754 1.00 0.00 N ATOM 129 CA LEU A 12 21.182 -20.000 8.571 1.00 0.00 C ATOM 130 C LEU A 12 20.955 -18.739 7.735 1.00 0.00 C ATOM 131 O LEU A 12 20.175 -18.752 6.784 1.00 0.00 O ATOM 132 CB LEU A 12 20.946 -21.300 7.799 1.00 0.00 C ATOM 133 CG LEU A 12 22.076 -22.330 7.858 1.00 0.00 C ATOM 134 CD1 LEU A 12 21.804 -23.380 8.936 1.00 0.00 C ATOM 135 CD2 LEU A 12 22.313 -22.964 6.486 1.00 0.00 C ATOM 0 H LEU A 12 19.596 -20.648 9.777 1.00 0.00 H new ATOM 0 HA LEU A 12 22.235 -20.010 8.853 1.00 0.00 H new ATOM 0 HB2 LEU A 12 20.037 -21.765 8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 12 20.763 -21.050 6.754 1.00 0.00 H new ATOM 0 HG LEU A 12 22.995 -21.814 8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 12 22.622 -24.100 8.957 1.00 0.00 H new ATOM 0 HD12 LEU A 12 21.725 -22.892 9.907 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.871 -23.897 8.713 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.121 -23.692 6.556 1.00 0.00 H new ATOM 0 HD22 LEU A 12 21.403 -23.463 6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.584 -22.189 5.769 1.00 0.00 H new ATOM 147 N ARG A 13 21.651 -17.679 8.121 1.00 0.00 N ATOM 148 CA ARG A 13 21.535 -16.412 7.419 1.00 0.00 C ATOM 149 C ARG A 13 21.845 -16.598 5.932 1.00 0.00 C ATOM 150 O ARG A 13 23.006 -16.565 5.527 1.00 0.00 O ATOM 151 CB ARG A 13 22.489 -15.369 8.005 1.00 0.00 C ATOM 152 CG ARG A 13 22.089 -15.002 9.436 1.00 0.00 C ATOM 153 CD ARG A 13 23.296 -15.062 10.374 1.00 0.00 C ATOM 154 NE ARG A 13 22.878 -14.743 11.757 1.00 0.00 N ATOM 155 CZ ARG A 13 23.721 -14.646 12.794 1.00 0.00 C ATOM 156 NH1 ARG A 13 25.034 -14.843 12.610 1.00 0.00 N ATOM 157 NH2 ARG A 13 23.252 -14.352 14.014 1.00 0.00 N ATOM 0 H ARG A 13 22.297 -17.672 8.910 1.00 0.00 H new ATOM 0 HA ARG A 13 20.511 -16.059 7.538 1.00 0.00 H new ATOM 0 HB2 ARG A 13 23.507 -15.757 7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 13 22.483 -14.475 7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 13 21.661 -14.000 9.452 1.00 0.00 H new ATOM 0 HG3 ARG A 13 21.316 -15.685 9.788 1.00 0.00 H new ATOM 0 HD2 ARG A 13 23.744 -16.055 10.341 1.00 0.00 H new ATOM 0 HD3 ARG A 13 24.059 -14.357 10.044 1.00 0.00 H new ATOM 0 HE ARG A 13 21.885 -14.587 11.932 1.00 0.00 H new ATOM 0 HH11 ARG A 13 25.391 -15.067 11.681 1.00 0.00 H new ATOM 0 HH12 ARG A 13 25.676 -14.769 13.399 1.00 0.00 H new ATOM 0 HH21 ARG A 13 22.253 -14.202 14.154 1.00 0.00 H new ATOM 0 HH22 ARG A 13 23.894 -14.278 14.803 1.00 0.00 H new ATOM 171 N VAL A 14 20.786 -16.790 5.160 1.00 0.00 N ATOM 172 CA VAL A 14 20.929 -16.982 3.727 1.00 0.00 C ATOM 173 C VAL A 14 20.204 -15.854 2.990 1.00 0.00 C ATOM 174 O VAL A 14 19.057 -15.539 3.305 1.00 0.00 O ATOM 175 CB VAL A 14 20.429 -18.373 3.332 1.00 0.00 C ATOM 176 CG1 VAL A 14 18.906 -18.462 3.451 1.00 0.00 C ATOM 177 CG2 VAL A 14 20.891 -18.742 1.921 1.00 0.00 C ATOM 0 H VAL A 14 19.825 -16.817 5.500 1.00 0.00 H new ATOM 0 HA VAL A 14 21.979 -16.936 3.439 1.00 0.00 H new ATOM 0 HB VAL A 14 20.862 -19.094 4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 14 18.576 -19.461 3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 14 18.609 -18.263 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 14 18.446 -17.725 2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.522 -19.735 1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 14 20.500 -18.015 1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 14 21.980 -18.739 1.882 1.00 0.00 H new ATOM 187 N ARG A 15 20.902 -15.277 2.023 1.00 0.00 N ATOM 188 CA ARG A 15 20.338 -14.191 1.240 1.00 0.00 C ATOM 189 C ARG A 15 19.244 -14.720 0.310 1.00 0.00 C ATOM 190 O ARG A 15 19.534 -15.203 -0.784 1.00 0.00 O ATOM 191 CB ARG A 15 21.416 -13.497 0.405 1.00 0.00 C ATOM 192 CG ARG A 15 22.054 -12.343 1.182 1.00 0.00 C ATOM 193 CD ARG A 15 22.338 -11.154 0.262 1.00 0.00 C ATOM 194 NE ARG A 15 23.779 -11.107 -0.074 1.00 0.00 N ATOM 195 CZ ARG A 15 24.752 -10.886 0.820 1.00 0.00 C ATOM 196 NH1 ARG A 15 24.445 -10.689 2.109 1.00 0.00 N ATOM 197 NH2 ARG A 15 26.032 -10.861 0.424 1.00 0.00 N ATOM 0 H ARG A 15 21.853 -15.541 1.764 1.00 0.00 H new ATOM 0 HA ARG A 15 19.911 -13.468 1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 15 22.183 -14.218 0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 15 20.978 -13.120 -0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 15 21.391 -12.033 1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 15 22.982 -12.680 1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 15 21.746 -11.239 -0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 15 22.039 -10.226 0.750 1.00 0.00 H new ATOM 0 HE ARG A 15 24.048 -11.252 -1.047 1.00 0.00 H new ATOM 0 HH11 ARG A 15 23.471 -10.707 2.410 1.00 0.00 H new ATOM 0 HH12 ARG A 15 25.186 -10.521 2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 15 26.265 -11.010 -0.558 1.00 0.00 H new ATOM 0 HH22 ARG A 15 26.773 -10.693 1.104 1.00 0.00 H new ATOM 211 N GLN A 16 18.010 -14.610 0.778 1.00 0.00 N ATOM 212 CA GLN A 16 16.871 -15.071 0.002 1.00 0.00 C ATOM 213 C GLN A 16 15.867 -13.933 -0.194 1.00 0.00 C ATOM 214 O GLN A 16 16.022 -12.857 0.382 1.00 0.00 O ATOM 215 CB GLN A 16 16.208 -16.279 0.666 1.00 0.00 C ATOM 216 CG GLN A 16 15.233 -15.837 1.759 1.00 0.00 C ATOM 217 CD GLN A 16 14.817 -17.021 2.634 1.00 0.00 C ATOM 218 OE1 GLN A 16 15.794 -17.498 3.399 1.00 0.00 O flip ATOM 219 NE2 GLN A 16 13.683 -17.471 2.616 1.00 0.00 N flip ATOM 0 H GLN A 16 17.773 -14.208 1.685 1.00 0.00 H new ATOM 0 HA GLN A 16 17.228 -15.387 -0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 16 15.677 -16.865 -0.084 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.972 -16.927 1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.698 -15.069 2.377 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.350 -15.389 1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.980 -17.057 2.004 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.438 -18.261 3.213 1.00 0.00 H new ATOM 228 N LEU A 17 14.860 -14.209 -1.010 1.00 0.00 N ATOM 229 CA LEU A 17 13.831 -13.222 -1.289 1.00 0.00 C ATOM 230 C LEU A 17 12.987 -13.002 -0.032 1.00 0.00 C ATOM 231 O LEU A 17 12.790 -13.924 0.757 1.00 0.00 O ATOM 232 CB LEU A 17 13.013 -13.634 -2.515 1.00 0.00 C ATOM 233 CG LEU A 17 13.683 -13.417 -3.873 1.00 0.00 C ATOM 234 CD1 LEU A 17 12.768 -13.867 -5.014 1.00 0.00 C ATOM 235 CD2 LEU A 17 14.131 -11.963 -4.037 1.00 0.00 C ATOM 0 H LEU A 17 14.735 -15.102 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 17 14.282 -12.262 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.762 -14.690 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.074 -13.081 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 17 14.579 -14.037 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.268 -13.702 -5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.541 -14.927 -4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.842 -13.293 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.604 -11.836 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.265 -11.305 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.844 -11.711 -3.252 1.00 0.00 H new ATOM 247 N PRO A 18 12.500 -11.741 0.119 1.00 0.00 N ATOM 248 CA PRO A 18 11.682 -11.387 1.266 1.00 0.00 C ATOM 249 C PRO A 18 10.268 -11.955 1.128 1.00 0.00 C ATOM 250 O PRO A 18 10.021 -12.819 0.287 1.00 0.00 O ATOM 251 CB PRO A 18 11.710 -9.868 1.316 1.00 0.00 C ATOM 252 CG PRO A 18 12.153 -9.414 -0.065 1.00 0.00 C ATOM 253 CD PRO A 18 12.713 -10.623 -0.796 1.00 0.00 C ATOM 0 HA PRO A 18 12.059 -11.810 2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.727 -9.467 1.562 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.399 -9.515 2.083 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.313 -8.991 -0.615 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.908 -8.632 0.014 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.201 -10.784 -1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.771 -10.493 -1.023 1.00 0.00 H new ATOM 261 N HIS A 19 9.376 -11.446 1.965 1.00 0.00 N ATOM 262 CA HIS A 19 7.993 -11.892 1.947 1.00 0.00 C ATOM 263 C HIS A 19 7.070 -10.691 1.733 1.00 0.00 C ATOM 264 O HIS A 19 7.453 -9.553 2.002 1.00 0.00 O ATOM 265 CB HIS A 19 7.659 -12.679 3.216 1.00 0.00 C ATOM 266 CG HIS A 19 7.787 -14.176 3.062 1.00 0.00 C ATOM 267 ND1 HIS A 19 6.915 -15.068 3.661 1.00 0.00 N ATOM 268 CD2 HIS A 19 8.692 -14.926 2.371 1.00 0.00 C ATOM 269 CE1 HIS A 19 7.289 -16.298 3.339 1.00 0.00 C ATOM 270 NE2 HIS A 19 8.391 -16.208 2.540 1.00 0.00 N ATOM 0 H HIS A 19 9.584 -10.729 2.660 1.00 0.00 H new ATOM 0 HA HIS A 19 7.839 -12.578 1.114 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.317 -12.349 4.020 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.640 -12.441 3.521 1.00 0.00 H new ATOM 0 HD1 HIS A 19 6.120 -14.821 4.250 1.00 0.00 H new ATOM 0 HD2 HIS A 19 9.514 -14.542 1.785 1.00 0.00 H new ATOM 0 HE1 HIS A 19 6.806 -17.211 3.654 1.00 0.00 H new ATOM 278 N ALA A 20 5.871 -10.985 1.252 1.00 0.00 N ATOM 279 CA ALA A 20 4.890 -9.943 1.000 1.00 0.00 C ATOM 280 C ALA A 20 4.502 -9.282 2.324 1.00 0.00 C ATOM 281 O ALA A 20 4.728 -9.846 3.393 1.00 0.00 O ATOM 282 CB ALA A 20 3.684 -10.542 0.273 1.00 0.00 C ATOM 0 H ALA A 20 5.557 -11.930 1.030 1.00 0.00 H new ATOM 0 HA ALA A 20 5.309 -9.170 0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.948 -9.760 0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.007 -10.973 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.236 -11.320 0.891 1.00 0.00 H new ATOM 288 N PRO A 21 3.910 -8.063 2.206 1.00 0.00 N ATOM 289 CA PRO A 21 3.489 -7.319 3.381 1.00 0.00 C ATOM 290 C PRO A 21 2.216 -7.918 3.982 1.00 0.00 C ATOM 291 O PRO A 21 1.182 -7.983 3.318 1.00 0.00 O ATOM 292 CB PRO A 21 3.301 -5.891 2.896 1.00 0.00 C ATOM 293 CG PRO A 21 3.173 -5.978 1.384 1.00 0.00 C ATOM 294 CD PRO A 21 3.627 -7.364 0.956 1.00 0.00 C ATOM 0 HA PRO A 21 4.220 -7.359 4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.411 -5.442 3.338 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.148 -5.267 3.181 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.142 -5.803 1.078 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.782 -5.212 0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.853 -7.875 0.383 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.512 -7.313 0.322 1.00 0.00 H new ATOM 302 N GLU A 22 2.332 -8.341 5.233 1.00 0.00 N ATOM 303 CA GLU A 22 1.204 -8.932 5.931 1.00 0.00 C ATOM 304 C GLU A 22 0.299 -7.838 6.500 1.00 0.00 C ATOM 305 O GLU A 22 0.643 -6.658 6.456 1.00 0.00 O ATOM 306 CB GLU A 22 1.677 -9.881 7.034 1.00 0.00 C ATOM 307 CG GLU A 22 2.592 -10.968 6.467 1.00 0.00 C ATOM 308 CD GLU A 22 2.585 -12.211 7.359 1.00 0.00 C ATOM 309 OE1 GLU A 22 3.267 -12.162 8.405 1.00 0.00 O ATOM 310 OE2 GLU A 22 1.897 -13.182 6.976 1.00 0.00 O ATOM 0 H GLU A 22 3.191 -8.286 5.781 1.00 0.00 H new ATOM 0 HA GLU A 22 0.627 -9.518 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.208 -9.317 7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.815 -10.342 7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.265 -11.235 5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.608 -10.584 6.380 1.00 0.00 H new ATOM 317 N HIS A 23 -0.841 -8.268 7.021 1.00 0.00 N ATOM 318 CA HIS A 23 -1.798 -7.339 7.598 1.00 0.00 C ATOM 319 C HIS A 23 -1.946 -6.121 6.684 1.00 0.00 C ATOM 320 O HIS A 23 -1.827 -4.984 7.135 1.00 0.00 O ATOM 321 CB HIS A 23 -1.396 -6.963 9.026 1.00 0.00 C ATOM 322 CG HIS A 23 -2.467 -7.234 10.056 1.00 0.00 C ATOM 323 ND1 HIS A 23 -3.491 -6.344 10.326 1.00 0.00 N ATOM 324 CD2 HIS A 23 -2.661 -8.305 10.879 1.00 0.00 C ATOM 325 CE1 HIS A 23 -4.261 -6.865 11.270 1.00 0.00 C ATOM 326 NE2 HIS A 23 -3.745 -8.080 11.612 1.00 0.00 N ATOM 0 H HIS A 23 -1.123 -9.248 7.056 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.775 -7.816 7.671 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.497 -7.516 9.297 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.139 -5.904 9.054 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.038 -9.186 10.926 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.143 -6.408 11.694 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.129 -8.712 12.315 1.00 0.00 H new ATOM 334 N PRO A 24 -2.212 -6.410 5.382 1.00 0.00 N ATOM 335 CA PRO A 24 -2.378 -5.352 4.400 1.00 0.00 C ATOM 336 C PRO A 24 -3.735 -4.663 4.560 1.00 0.00 C ATOM 337 O PRO A 24 -4.752 -5.171 4.089 1.00 0.00 O ATOM 338 CB PRO A 24 -2.215 -6.036 3.053 1.00 0.00 C ATOM 339 CG PRO A 24 -2.426 -7.519 3.310 1.00 0.00 C ATOM 340 CD PRO A 24 -2.360 -7.745 4.811 1.00 0.00 C ATOM 0 HA PRO A 24 -1.647 -4.552 4.517 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.940 -5.658 2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.225 -5.849 2.637 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.390 -7.841 2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.662 -8.107 2.801 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.262 -8.234 5.178 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.519 -8.385 5.078 1.00 0.00 H new ATOM 348 N VAL A 25 -3.707 -3.518 5.226 1.00 0.00 N ATOM 349 CA VAL A 25 -4.923 -2.755 5.454 1.00 0.00 C ATOM 350 C VAL A 25 -4.903 -1.499 4.581 1.00 0.00 C ATOM 351 O VAL A 25 -3.835 -0.987 4.250 1.00 0.00 O ATOM 352 CB VAL A 25 -5.073 -2.445 6.945 1.00 0.00 C ATOM 353 CG1 VAL A 25 -4.221 -3.393 7.792 1.00 0.00 C ATOM 354 CG2 VAL A 25 -4.725 -0.984 7.239 1.00 0.00 C ATOM 0 H VAL A 25 -2.862 -3.100 5.615 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.799 -3.336 5.166 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.117 -2.602 7.216 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.347 -3.150 8.847 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.537 -4.421 7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.172 -3.283 7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.840 -0.790 8.305 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.694 -0.789 6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.393 -0.331 6.678 1.00 0.00 H new ATOM 364 N ALA A 26 -6.096 -1.040 4.234 1.00 0.00 N ATOM 365 CA ALA A 26 -6.229 0.146 3.405 1.00 0.00 C ATOM 366 C ALA A 26 -7.489 0.910 3.815 1.00 0.00 C ATOM 367 O ALA A 26 -8.603 0.488 3.507 1.00 0.00 O ATOM 368 CB ALA A 26 -6.246 -0.260 1.930 1.00 0.00 C ATOM 0 H ALA A 26 -6.979 -1.468 4.512 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.378 0.812 3.549 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.346 0.630 1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.316 -0.773 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.088 -0.927 1.746 1.00 0.00 H new ATOM 374 N THR A 27 -7.272 2.021 4.503 1.00 0.00 N ATOM 375 CA THR A 27 -8.377 2.848 4.958 1.00 0.00 C ATOM 376 C THR A 27 -8.213 4.283 4.452 1.00 0.00 C ATOM 377 O THR A 27 -7.103 4.715 4.148 1.00 0.00 O ATOM 378 CB THR A 27 -8.447 2.746 6.483 1.00 0.00 C ATOM 379 OG1 THR A 27 -7.099 2.506 6.878 1.00 0.00 O ATOM 380 CG2 THR A 27 -9.201 1.500 6.953 1.00 0.00 C ATOM 0 H THR A 27 -6.347 2.368 4.757 1.00 0.00 H new ATOM 0 HA THR A 27 -9.326 2.499 4.550 1.00 0.00 H new ATOM 0 HB THR A 27 -8.932 3.636 6.884 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.053 2.428 7.854 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.221 1.476 8.043 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.222 1.527 6.572 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.698 0.608 6.580 1.00 0.00 H new ATOM 388 N LEU A 28 -9.337 4.982 4.377 1.00 0.00 N ATOM 389 CA LEU A 28 -9.332 6.358 3.913 1.00 0.00 C ATOM 390 C LEU A 28 -8.468 7.205 4.850 1.00 0.00 C ATOM 391 O LEU A 28 -8.137 6.774 5.954 1.00 0.00 O ATOM 392 CB LEU A 28 -10.763 6.877 3.759 1.00 0.00 C ATOM 393 CG LEU A 28 -11.229 7.145 2.327 1.00 0.00 C ATOM 394 CD1 LEU A 28 -12.669 7.662 2.306 1.00 0.00 C ATOM 395 CD2 LEU A 28 -10.269 8.093 1.606 1.00 0.00 C ATOM 0 H LEU A 28 -10.257 4.620 4.630 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.885 6.423 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.441 6.153 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.856 7.801 4.329 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.218 6.201 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.975 7.844 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.329 6.919 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.730 8.591 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.624 8.267 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.223 9.041 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.275 7.647 1.572 1.00 0.00 H new ATOM 407 N SER A 29 -8.128 8.395 4.376 1.00 0.00 N ATOM 408 CA SER A 29 -7.310 9.306 5.158 1.00 0.00 C ATOM 409 C SER A 29 -8.193 10.363 5.824 1.00 0.00 C ATOM 410 O SER A 29 -8.617 11.319 5.177 1.00 0.00 O ATOM 411 CB SER A 29 -6.245 9.975 4.287 1.00 0.00 C ATOM 412 OG SER A 29 -4.925 9.688 4.742 1.00 0.00 O ATOM 0 H SER A 29 -8.404 8.749 3.460 1.00 0.00 H new ATOM 0 HA SER A 29 -6.800 8.730 5.930 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.355 9.637 3.257 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.402 11.054 4.287 1.00 0.00 H new ATOM 0 HG SER A 29 -4.274 10.132 4.159 1.00 0.00 H new ATOM 418 N THR A 30 -8.444 10.155 7.108 1.00 0.00 N ATOM 419 CA THR A 30 -9.269 11.078 7.868 1.00 0.00 C ATOM 420 C THR A 30 -8.492 12.361 8.174 1.00 0.00 C ATOM 421 O THR A 30 -9.022 13.278 8.799 1.00 0.00 O ATOM 422 CB THR A 30 -9.760 10.352 9.122 1.00 0.00 C ATOM 423 OG1 THR A 30 -8.564 10.033 9.829 1.00 0.00 O ATOM 424 CG2 THR A 30 -10.380 8.990 8.805 1.00 0.00 C ATOM 0 H THR A 30 -8.090 9.361 7.641 1.00 0.00 H new ATOM 0 HA THR A 30 -10.141 11.392 7.294 1.00 0.00 H new ATOM 0 HB THR A 30 -10.493 10.973 9.637 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.790 9.561 10.658 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.712 8.517 9.729 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.233 9.124 8.140 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.638 8.356 8.320 1.00 0.00 H new ATOM 432 N VAL A 31 -7.248 12.384 7.718 1.00 0.00 N ATOM 433 CA VAL A 31 -6.393 13.538 7.934 1.00 0.00 C ATOM 434 C VAL A 31 -6.175 14.262 6.604 1.00 0.00 C ATOM 435 O VAL A 31 -6.097 15.490 6.567 1.00 0.00 O ATOM 436 CB VAL A 31 -5.086 13.103 8.599 1.00 0.00 C ATOM 437 CG1 VAL A 31 -5.359 12.304 9.875 1.00 0.00 C ATOM 438 CG2 VAL A 31 -4.215 12.304 7.628 1.00 0.00 C ATOM 0 H VAL A 31 -6.812 11.621 7.200 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.869 14.244 8.614 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.537 14.003 8.878 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.413 12.007 10.328 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.920 12.921 10.577 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.939 11.414 9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.292 12.007 8.127 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.754 11.414 7.303 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.977 12.920 6.761 1.00 0.00 H new ATOM 448 N GLU A 32 -6.084 13.472 5.545 1.00 0.00 N ATOM 449 CA GLU A 32 -5.876 14.023 4.216 1.00 0.00 C ATOM 450 C GLU A 32 -7.077 13.714 3.320 1.00 0.00 C ATOM 451 O GLU A 32 -7.616 12.609 3.358 1.00 0.00 O ATOM 452 CB GLU A 32 -4.581 13.493 3.599 1.00 0.00 C ATOM 453 CG GLU A 32 -3.546 14.610 3.452 1.00 0.00 C ATOM 454 CD GLU A 32 -3.992 15.637 2.408 1.00 0.00 C ATOM 455 OE1 GLU A 32 -4.170 15.220 1.243 1.00 0.00 O ATOM 456 OE2 GLU A 32 -4.144 16.814 2.799 1.00 0.00 O ATOM 0 H GLU A 32 -6.150 12.455 5.580 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.781 15.105 4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.176 12.697 4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.791 13.056 2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.399 15.103 4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.585 14.185 3.162 1.00 0.00 H new ATOM 463 N ARG A 33 -7.461 14.709 2.535 1.00 0.00 N ATOM 464 CA ARG A 33 -8.588 14.557 1.630 1.00 0.00 C ATOM 465 C ARG A 33 -8.138 13.893 0.328 1.00 0.00 C ATOM 466 O ARG A 33 -7.052 14.177 -0.174 1.00 0.00 O ATOM 467 CB ARG A 33 -9.224 15.912 1.311 1.00 0.00 C ATOM 468 CG ARG A 33 -10.280 16.282 2.355 1.00 0.00 C ATOM 469 CD ARG A 33 -11.505 15.373 2.242 1.00 0.00 C ATOM 470 NE ARG A 33 -12.539 15.794 3.214 1.00 0.00 N ATOM 471 CZ ARG A 33 -13.837 15.480 3.113 1.00 0.00 C ATOM 472 NH1 ARG A 33 -14.270 14.740 2.083 1.00 0.00 N ATOM 473 NH2 ARG A 33 -14.704 15.905 4.042 1.00 0.00 N ATOM 0 H ARG A 33 -7.012 15.624 2.507 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.328 13.928 2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.453 16.682 1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.681 15.879 0.322 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.853 16.200 3.354 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.580 17.321 2.221 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.907 15.415 1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.219 14.338 2.429 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.244 16.359 4.011 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.611 14.416 1.375 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.259 14.501 2.007 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.376 16.468 4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.692 15.666 3.965 1.00 0.00 H new ATOM 487 N ARG A 34 -8.996 13.022 -0.182 1.00 0.00 N ATOM 488 CA ARG A 34 -8.700 12.315 -1.417 1.00 0.00 C ATOM 489 C ARG A 34 -7.441 11.461 -1.251 1.00 0.00 C ATOM 490 O ARG A 34 -6.760 11.157 -2.228 1.00 0.00 O ATOM 491 CB ARG A 34 -8.496 13.292 -2.576 1.00 0.00 C ATOM 492 CG ARG A 34 -9.593 13.131 -3.629 1.00 0.00 C ATOM 493 CD ARG A 34 -9.810 14.435 -4.400 1.00 0.00 C ATOM 494 NE ARG A 34 -8.505 15.044 -4.741 1.00 0.00 N ATOM 495 CZ ARG A 34 -8.361 16.124 -5.521 1.00 0.00 C ATOM 496 NH1 ARG A 34 -9.440 16.722 -6.043 1.00 0.00 N ATOM 497 NH2 ARG A 34 -7.138 16.607 -5.777 1.00 0.00 N ATOM 0 H ARG A 34 -9.896 12.790 0.237 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.551 11.673 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.497 14.315 -2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.521 13.121 -3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.322 12.335 -4.323 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.523 12.830 -3.147 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.378 14.239 -5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.399 15.129 -3.800 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.663 14.615 -4.358 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.371 16.355 -5.847 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.330 17.544 -6.637 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.316 16.153 -5.378 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.028 17.429 -6.371 1.00 0.00 H new ATOM 511 N ALA A 35 -7.171 11.098 -0.005 1.00 0.00 N ATOM 512 CA ALA A 35 -6.006 10.285 0.301 1.00 0.00 C ATOM 513 C ALA A 35 -6.459 8.983 0.965 1.00 0.00 C ATOM 514 O ALA A 35 -7.612 8.859 1.375 1.00 0.00 O ATOM 515 CB ALA A 35 -5.043 11.084 1.181 1.00 0.00 C ATOM 0 H ALA A 35 -7.739 11.352 0.804 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.471 10.021 -0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.169 10.474 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.729 11.984 0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.544 11.364 2.108 1.00 0.00 H new ATOM 521 N ILE A 36 -5.527 8.045 1.052 1.00 0.00 N ATOM 522 CA ILE A 36 -5.815 6.758 1.659 1.00 0.00 C ATOM 523 C ILE A 36 -4.614 6.312 2.496 1.00 0.00 C ATOM 524 O ILE A 36 -3.468 6.484 2.083 1.00 0.00 O ATOM 525 CB ILE A 36 -6.232 5.743 0.593 1.00 0.00 C ATOM 526 CG1 ILE A 36 -7.593 6.104 -0.005 1.00 0.00 C ATOM 527 CG2 ILE A 36 -6.211 4.319 1.152 1.00 0.00 C ATOM 528 CD1 ILE A 36 -7.861 5.304 -1.282 1.00 0.00 C ATOM 0 H ILE A 36 -4.571 8.152 0.712 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.664 6.840 2.338 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.504 5.781 -0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.379 5.906 0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.625 7.171 -0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.512 3.618 0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.204 4.076 1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.903 4.247 1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.835 5.580 -1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.087 5.523 -2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.852 4.238 -1.052 1.00 0.00 H new ATOM 540 N ASN A 37 -4.917 5.749 3.656 1.00 0.00 N ATOM 541 CA ASN A 37 -3.876 5.278 4.554 1.00 0.00 C ATOM 542 C ASN A 37 -3.735 3.761 4.412 1.00 0.00 C ATOM 543 O ASN A 37 -4.731 3.040 4.395 1.00 0.00 O ATOM 544 CB ASN A 37 -4.225 5.586 6.011 1.00 0.00 C ATOM 545 CG ASN A 37 -3.312 6.678 6.574 1.00 0.00 C ATOM 546 OD1 ASN A 37 -2.105 6.664 6.401 1.00 0.00 O ATOM 547 ND2 ASN A 37 -3.955 7.621 7.256 1.00 0.00 N ATOM 0 H ASN A 37 -5.869 5.608 3.995 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.948 5.785 4.291 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.265 5.905 6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.129 4.681 6.611 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.435 8.394 7.672 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.968 7.572 7.363 1.00 0.00 H new ATOM 554 N LEU A 38 -2.489 3.322 4.314 1.00 0.00 N ATOM 555 CA LEU A 38 -2.204 1.904 4.174 1.00 0.00 C ATOM 556 C LEU A 38 -1.188 1.485 5.238 1.00 0.00 C ATOM 557 O LEU A 38 -0.207 2.188 5.476 1.00 0.00 O ATOM 558 CB LEU A 38 -1.765 1.584 2.744 1.00 0.00 C ATOM 559 CG LEU A 38 -1.772 0.104 2.355 1.00 0.00 C ATOM 560 CD1 LEU A 38 -3.053 -0.258 1.601 1.00 0.00 C ATOM 561 CD2 LEU A 38 -0.517 -0.260 1.560 1.00 0.00 C ATOM 0 H LEU A 38 -1.665 3.923 4.329 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.106 1.316 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.416 2.123 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.757 1.972 2.599 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.757 -0.490 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.033 -1.315 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.917 -0.059 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.123 0.342 0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.547 -1.317 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.476 0.340 0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.367 -0.062 2.166 1.00 0.00 H new ATOM 573 N THR A 39 -1.456 0.340 5.849 1.00 0.00 N ATOM 574 CA THR A 39 -0.577 -0.181 6.882 1.00 0.00 C ATOM 575 C THR A 39 -0.459 -1.702 6.765 1.00 0.00 C ATOM 576 O THR A 39 -1.467 -2.407 6.749 1.00 0.00 O ATOM 577 CB THR A 39 -1.113 0.284 8.238 1.00 0.00 C ATOM 578 OG1 THR A 39 -1.988 -0.765 8.644 1.00 0.00 O ATOM 579 CG2 THR A 39 -2.027 1.505 8.119 1.00 0.00 C ATOM 0 H THR A 39 -2.270 -0.241 5.648 1.00 0.00 H new ATOM 0 HA THR A 39 0.437 0.202 6.768 1.00 0.00 H new ATOM 0 HB THR A 39 -0.277 0.519 8.897 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.379 -0.546 9.516 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.380 1.793 9.109 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.473 2.332 7.676 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.881 1.260 7.487 1.00 0.00 H new ATOM 587 N TRP A 40 0.781 -2.162 6.685 1.00 0.00 N ATOM 588 CA TRP A 40 1.044 -3.587 6.569 1.00 0.00 C ATOM 589 C TRP A 40 2.012 -3.981 7.686 1.00 0.00 C ATOM 590 O TRP A 40 2.505 -3.123 8.417 1.00 0.00 O ATOM 591 CB TRP A 40 1.566 -3.936 5.174 1.00 0.00 C ATOM 592 CG TRP A 40 2.835 -3.178 4.777 1.00 0.00 C ATOM 593 CD1 TRP A 40 4.102 -3.613 4.816 1.00 0.00 C ATOM 594 CD2 TRP A 40 2.907 -1.827 4.275 1.00 0.00 C ATOM 595 NE1 TRP A 40 4.982 -2.644 4.378 1.00 0.00 N ATOM 596 CE2 TRP A 40 4.232 -1.524 4.039 1.00 0.00 C ATOM 597 CE3 TRP A 40 1.887 -0.892 4.030 1.00 0.00 C ATOM 598 CZ2 TRP A 40 4.659 -0.285 3.545 1.00 0.00 C ATOM 599 CZ3 TRP A 40 2.329 0.341 3.536 1.00 0.00 C ATOM 600 CH2 TRP A 40 3.660 0.662 3.293 1.00 0.00 C ATOM 0 H TRP A 40 1.614 -1.574 6.698 1.00 0.00 H new ATOM 0 HA TRP A 40 0.125 -4.160 6.687 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.766 -5.007 5.129 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.786 -3.726 4.442 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.397 -4.597 5.148 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.996 -2.733 4.315 1.00 0.00 H new ATOM 0 HE3 TRP A 40 0.844 -1.108 4.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.703 -0.072 3.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.584 1.095 3.329 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.922 1.638 2.911 1.00 0.00 H new ATOM 611 N THR A 41 2.255 -5.280 7.784 1.00 0.00 N ATOM 612 CA THR A 41 3.155 -5.798 8.800 1.00 0.00 C ATOM 613 C THR A 41 4.547 -6.032 8.210 1.00 0.00 C ATOM 614 O THR A 41 4.692 -6.201 7.000 1.00 0.00 O ATOM 615 CB THR A 41 2.525 -7.061 9.390 1.00 0.00 C ATOM 616 OG1 THR A 41 1.979 -6.629 10.633 1.00 0.00 O ATOM 617 CG2 THR A 41 3.570 -8.107 9.785 1.00 0.00 C ATOM 0 H THR A 41 1.844 -5.989 7.176 1.00 0.00 H new ATOM 0 HA THR A 41 3.295 -5.080 9.608 1.00 0.00 H new ATOM 0 HB THR A 41 1.834 -7.494 8.666 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.549 -7.386 11.082 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.070 -8.983 10.198 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.144 -8.398 8.905 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.241 -7.686 10.533 1.00 0.00 H new ATOM 625 N LYS A 42 5.536 -6.035 9.092 1.00 0.00 N ATOM 626 CA LYS A 42 6.911 -6.245 8.673 1.00 0.00 C ATOM 627 C LYS A 42 7.139 -7.736 8.415 1.00 0.00 C ATOM 628 O LYS A 42 7.114 -8.542 9.343 1.00 0.00 O ATOM 629 CB LYS A 42 7.880 -5.643 9.693 1.00 0.00 C ATOM 630 CG LYS A 42 9.175 -5.187 9.017 1.00 0.00 C ATOM 631 CD LYS A 42 10.214 -6.310 9.010 1.00 0.00 C ATOM 632 CE LYS A 42 11.634 -5.742 8.970 1.00 0.00 C ATOM 633 NZ LYS A 42 11.809 -4.709 10.016 1.00 0.00 N ATOM 0 H LYS A 42 5.412 -5.895 10.095 1.00 0.00 H new ATOM 0 HA LYS A 42 7.107 -5.725 7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.409 -4.796 10.192 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.108 -6.380 10.463 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.965 -4.874 7.994 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.576 -4.319 9.540 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.091 -6.930 9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.052 -6.955 8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.357 -6.544 9.118 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.832 -5.311 7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.801 -4.697 10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.556 -3.777 9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.193 -4.927 10.825 1.00 0.00 H new ATOM 647 N PRO A 43 7.361 -8.066 7.114 1.00 0.00 N ATOM 648 CA PRO A 43 7.593 -9.446 6.722 1.00 0.00 C ATOM 649 C PRO A 43 9.001 -9.898 7.113 1.00 0.00 C ATOM 650 O PRO A 43 9.796 -9.103 7.612 1.00 0.00 O ATOM 651 CB PRO A 43 7.356 -9.472 5.220 1.00 0.00 C ATOM 652 CG PRO A 43 7.457 -8.028 4.757 1.00 0.00 C ATOM 653 CD PRO A 43 7.398 -7.138 5.987 1.00 0.00 C ATOM 0 HA PRO A 43 6.929 -10.145 7.230 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.096 -10.096 4.719 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.377 -9.889 4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.388 -7.866 4.213 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.642 -7.789 4.073 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.266 -6.481 6.043 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.515 -6.499 5.971 1.00 0.00 H new ATOM 661 N PHE A 44 9.267 -11.174 6.872 1.00 0.00 N ATOM 662 CA PHE A 44 10.565 -11.741 7.193 1.00 0.00 C ATOM 663 C PHE A 44 11.591 -11.414 6.106 1.00 0.00 C ATOM 664 O PHE A 44 11.356 -11.675 4.927 1.00 0.00 O ATOM 665 CB PHE A 44 10.384 -13.259 7.267 1.00 0.00 C ATOM 666 CG PHE A 44 11.691 -14.034 7.442 1.00 0.00 C ATOM 667 CD1 PHE A 44 12.589 -14.092 6.422 1.00 0.00 C ATOM 668 CD2 PHE A 44 11.956 -14.665 8.617 1.00 0.00 C ATOM 669 CE1 PHE A 44 13.803 -14.811 6.584 1.00 0.00 C ATOM 670 CE2 PHE A 44 13.169 -15.384 8.780 1.00 0.00 C ATOM 671 CZ PHE A 44 14.067 -15.442 7.760 1.00 0.00 C ATOM 0 H PHE A 44 8.605 -11.831 6.458 1.00 0.00 H new ATOM 0 HA PHE A 44 10.929 -11.328 8.134 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.720 -13.495 8.098 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.890 -13.600 6.357 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.379 -13.591 5.489 1.00 0.00 H new ATOM 0 HD2 PHE A 44 11.243 -14.619 9.427 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.516 -14.857 5.774 1.00 0.00 H new ATOM 0 HE2 PHE A 44 13.379 -15.885 9.714 1.00 0.00 H new ATOM 0 HZ PHE A 44 14.990 -15.989 7.884 1.00 0.00 H new ATOM 681 N ASP A 45 12.706 -10.847 6.542 1.00 0.00 N ATOM 682 CA ASP A 45 13.769 -10.481 5.620 1.00 0.00 C ATOM 683 C ASP A 45 14.606 -11.720 5.296 1.00 0.00 C ATOM 684 O ASP A 45 14.922 -12.510 6.185 1.00 0.00 O ATOM 685 CB ASP A 45 14.696 -9.432 6.238 1.00 0.00 C ATOM 686 CG ASP A 45 15.670 -9.968 7.289 1.00 0.00 C ATOM 687 OD1 ASP A 45 15.185 -10.318 8.386 1.00 0.00 O ATOM 688 OD2 ASP A 45 16.878 -10.017 6.971 1.00 0.00 O ATOM 0 H ASP A 45 12.897 -10.632 7.521 1.00 0.00 H new ATOM 0 HA ASP A 45 13.310 -10.071 4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.270 -8.961 5.440 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.085 -8.653 6.694 1.00 0.00 H new ATOM 693 N GLY A 46 14.941 -11.851 4.021 1.00 0.00 N ATOM 694 CA GLY A 46 15.735 -12.981 3.569 1.00 0.00 C ATOM 695 C GLY A 46 17.217 -12.773 3.891 1.00 0.00 C ATOM 696 O GLY A 46 18.066 -12.863 3.006 1.00 0.00 O ATOM 0 H GLY A 46 14.677 -11.194 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 46 15.380 -13.894 4.047 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.608 -13.113 2.495 1.00 0.00 H new ATOM 700 N ASN A 47 17.481 -12.500 5.160 1.00 0.00 N ATOM 701 CA ASN A 47 18.845 -12.279 5.610 1.00 0.00 C ATOM 702 C ASN A 47 19.429 -11.070 4.877 1.00 0.00 C ATOM 703 O ASN A 47 20.645 -10.886 4.846 1.00 0.00 O ATOM 704 CB ASN A 47 19.728 -13.490 5.304 1.00 0.00 C ATOM 705 CG ASN A 47 21.160 -13.262 5.794 1.00 0.00 C ATOM 706 OD1 ASN A 47 22.071 -13.995 5.161 1.00 0.00 O flip ATOM 707 ND2 ASN A 47 21.419 -12.473 6.688 1.00 0.00 N flip ATOM 0 H ASN A 47 16.774 -12.427 5.891 1.00 0.00 H new ATOM 0 HA ASN A 47 18.823 -12.112 6.687 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.313 -14.377 5.782 1.00 0.00 H new ATOM 0 HB3 ASN A 47 19.733 -13.679 4.231 1.00 0.00 H new ATOM 0 HD21 ASN A 47 20.670 -11.941 7.132 1.00 0.00 H new ATOM 0 HD22 ASN A 47 22.384 -12.345 6.991 1.00 0.00 H new ATOM 714 N SER A 48 18.536 -10.277 4.304 1.00 0.00 N ATOM 715 CA SER A 48 18.948 -9.090 3.573 1.00 0.00 C ATOM 716 C SER A 48 18.166 -7.872 4.069 1.00 0.00 C ATOM 717 O SER A 48 16.996 -7.987 4.432 1.00 0.00 O ATOM 718 CB SER A 48 18.747 -9.273 2.068 1.00 0.00 C ATOM 719 OG SER A 48 18.990 -8.068 1.347 1.00 0.00 O ATOM 0 H SER A 48 17.528 -10.433 4.331 1.00 0.00 H new ATOM 0 HA SER A 48 20.011 -8.929 3.753 1.00 0.00 H new ATOM 0 HB2 SER A 48 19.415 -10.054 1.705 1.00 0.00 H new ATOM 0 HB3 SER A 48 17.729 -9.611 1.877 1.00 0.00 H new ATOM 0 HG SER A 48 19.888 -8.096 0.956 1.00 0.00 H new ATOM 725 N PRO A 49 18.861 -6.703 4.069 1.00 0.00 N ATOM 726 CA PRO A 49 18.244 -5.466 4.514 1.00 0.00 C ATOM 727 C PRO A 49 17.273 -4.928 3.462 1.00 0.00 C ATOM 728 O PRO A 49 17.677 -4.606 2.345 1.00 0.00 O ATOM 729 CB PRO A 49 19.406 -4.523 4.787 1.00 0.00 C ATOM 730 CG PRO A 49 20.598 -5.106 4.047 1.00 0.00 C ATOM 731 CD PRO A 49 20.248 -6.530 3.646 1.00 0.00 C ATOM 0 HA PRO A 49 17.636 -5.598 5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.183 -3.516 4.435 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.607 -4.450 5.856 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.830 -4.508 3.166 1.00 0.00 H new ATOM 0 HG3 PRO A 49 21.484 -5.095 4.682 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.356 -6.677 2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 49 20.904 -7.251 4.133 1.00 0.00 H new ATOM 739 N LEU A 50 16.010 -4.847 3.855 1.00 0.00 N ATOM 740 CA LEU A 50 14.978 -4.354 2.959 1.00 0.00 C ATOM 741 C LEU A 50 15.494 -3.114 2.226 1.00 0.00 C ATOM 742 O LEU A 50 16.155 -2.266 2.823 1.00 0.00 O ATOM 743 CB LEU A 50 13.674 -4.117 3.723 1.00 0.00 C ATOM 744 CG LEU A 50 12.999 -5.363 4.302 1.00 0.00 C ATOM 745 CD1 LEU A 50 11.807 -4.983 5.182 1.00 0.00 C ATOM 746 CD2 LEU A 50 12.604 -6.338 3.191 1.00 0.00 C ATOM 0 H LEU A 50 15.678 -5.114 4.782 1.00 0.00 H new ATOM 0 HA LEU A 50 14.745 -5.100 2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.876 -3.425 4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.969 -3.624 3.054 1.00 0.00 H new ATOM 0 HG LEU A 50 13.719 -5.876 4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.346 -5.887 5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.148 -4.356 6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.076 -4.435 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.127 -7.215 3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.909 -5.849 2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.495 -6.646 2.643 1.00 0.00 H new ATOM 758 N ILE A 51 15.173 -3.049 0.942 1.00 0.00 N ATOM 759 CA ILE A 51 15.597 -1.927 0.121 1.00 0.00 C ATOM 760 C ILE A 51 14.466 -0.899 0.048 1.00 0.00 C ATOM 761 O ILE A 51 14.640 0.250 0.452 1.00 0.00 O ATOM 762 CB ILE A 51 16.073 -2.415 -1.249 1.00 0.00 C ATOM 763 CG1 ILE A 51 17.396 -3.176 -1.130 1.00 0.00 C ATOM 764 CG2 ILE A 51 16.165 -1.256 -2.242 1.00 0.00 C ATOM 765 CD1 ILE A 51 18.569 -2.210 -0.954 1.00 0.00 C ATOM 0 H ILE A 51 14.625 -3.755 0.450 1.00 0.00 H new ATOM 0 HA ILE A 51 16.455 -1.428 0.572 1.00 0.00 H new ATOM 0 HB ILE A 51 15.333 -3.114 -1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.352 -3.859 -0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.551 -3.784 -2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 51 16.506 -1.630 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.183 -0.796 -2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 51 16.872 -0.514 -1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 51 19.497 -2.776 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 51 18.625 -1.545 -1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 51 18.422 -1.620 -0.049 1.00 0.00 H new ATOM 777 N ARG A 52 13.333 -1.348 -0.470 1.00 0.00 N ATOM 778 CA ARG A 52 12.174 -0.481 -0.601 1.00 0.00 C ATOM 779 C ARG A 52 10.907 -1.315 -0.798 1.00 0.00 C ATOM 780 O ARG A 52 10.911 -2.523 -0.563 1.00 0.00 O ATOM 781 CB ARG A 52 12.334 0.477 -1.783 1.00 0.00 C ATOM 782 CG ARG A 52 12.326 -0.283 -3.110 1.00 0.00 C ATOM 783 CD ARG A 52 12.152 0.676 -4.290 1.00 0.00 C ATOM 784 NE ARG A 52 13.453 0.891 -4.963 1.00 0.00 N ATOM 785 CZ ARG A 52 14.355 1.805 -4.578 1.00 0.00 C ATOM 786 NH1 ARG A 52 14.103 2.592 -3.524 1.00 0.00 N ATOM 787 NH2 ARG A 52 15.509 1.930 -5.248 1.00 0.00 N ATOM 0 H ARG A 52 13.192 -2.301 -0.804 1.00 0.00 H new ATOM 0 HA ARG A 52 12.091 0.102 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.526 1.209 -1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.267 1.031 -1.683 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.258 -0.837 -3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.518 -1.015 -3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.430 0.268 -4.998 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.752 1.628 -3.940 1.00 0.00 H new ATOM 0 HE ARG A 52 13.677 0.308 -5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.225 2.496 -3.014 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.789 3.287 -3.231 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.700 1.330 -6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.196 2.625 -4.956 1.00 0.00 H new ATOM 801 N TYR A 53 9.852 -0.638 -1.227 1.00 0.00 N ATOM 802 CA TYR A 53 8.580 -1.302 -1.458 1.00 0.00 C ATOM 803 C TYR A 53 7.832 -0.661 -2.629 1.00 0.00 C ATOM 804 O TYR A 53 7.591 0.545 -2.631 1.00 0.00 O ATOM 805 CB TYR A 53 7.764 -1.106 -0.179 1.00 0.00 C ATOM 806 CG TYR A 53 7.948 -2.221 0.853 1.00 0.00 C ATOM 807 CD1 TYR A 53 9.083 -2.254 1.638 1.00 0.00 C ATOM 808 CD2 TYR A 53 6.979 -3.193 0.999 1.00 0.00 C ATOM 809 CE1 TYR A 53 9.256 -3.302 2.609 1.00 0.00 C ATOM 810 CE2 TYR A 53 7.153 -4.242 1.971 1.00 0.00 C ATOM 811 CZ TYR A 53 8.283 -4.245 2.728 1.00 0.00 C ATOM 812 OH TYR A 53 8.446 -5.235 3.645 1.00 0.00 O ATOM 0 H TYR A 53 9.852 0.363 -1.421 1.00 0.00 H new ATOM 0 HA TYR A 53 8.734 -2.354 -1.699 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.042 -0.155 0.275 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.708 -1.038 -0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 53 9.841 -1.493 1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.091 -3.167 0.385 1.00 0.00 H new ATOM 0 HE1 TYR A 53 10.139 -3.339 3.230 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.403 -5.009 2.096 1.00 0.00 H new ATOM 0 HH TYR A 53 8.061 -4.954 4.501 1.00 0.00 H new ATOM 822 N ILE A 54 7.485 -1.497 -3.597 1.00 0.00 N ATOM 823 CA ILE A 54 6.770 -1.027 -4.771 1.00 0.00 C ATOM 824 C ILE A 54 5.264 -1.168 -4.536 1.00 0.00 C ATOM 825 O ILE A 54 4.723 -2.271 -4.602 1.00 0.00 O ATOM 826 CB ILE A 54 7.266 -1.748 -6.025 1.00 0.00 C ATOM 827 CG1 ILE A 54 8.795 -1.744 -6.091 1.00 0.00 C ATOM 828 CG2 ILE A 54 6.636 -1.153 -7.286 1.00 0.00 C ATOM 829 CD1 ILE A 54 9.300 -2.700 -7.175 1.00 0.00 C ATOM 0 H ILE A 54 7.686 -2.497 -3.592 1.00 0.00 H new ATOM 0 HA ILE A 54 6.970 0.031 -4.940 1.00 0.00 H new ATOM 0 HB ILE A 54 6.949 -2.789 -5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.151 -0.735 -6.297 1.00 0.00 H new ATOM 0 HG13 ILE A 54 9.205 -2.036 -5.124 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.006 -1.684 -8.163 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.552 -1.252 -7.232 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.901 -0.098 -7.362 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.389 -2.678 -7.201 1.00 0.00 H new ATOM 0 HD12 ILE A 54 8.963 -3.712 -6.953 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.908 -2.391 -8.144 1.00 0.00 H new ATOM 841 N LEU A 55 4.631 -0.036 -4.265 1.00 0.00 N ATOM 842 CA LEU A 55 3.199 -0.020 -4.020 1.00 0.00 C ATOM 843 C LEU A 55 2.462 0.199 -5.342 1.00 0.00 C ATOM 844 O LEU A 55 2.685 1.198 -6.024 1.00 0.00 O ATOM 845 CB LEU A 55 2.852 1.011 -2.944 1.00 0.00 C ATOM 846 CG LEU A 55 1.387 1.449 -2.883 1.00 0.00 C ATOM 847 CD1 LEU A 55 0.620 0.652 -1.826 1.00 0.00 C ATOM 848 CD2 LEU A 55 1.274 2.958 -2.656 1.00 0.00 C ATOM 0 H LEU A 55 5.084 0.876 -4.210 1.00 0.00 H new ATOM 0 HA LEU A 55 2.869 -0.981 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.129 0.601 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.469 1.895 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 55 0.926 1.233 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.418 0.983 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.657 -0.409 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.074 0.814 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.222 3.242 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.757 3.221 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.762 3.487 -3.475 1.00 0.00 H new ATOM 860 N GLU A 56 1.599 -0.753 -5.666 1.00 0.00 N ATOM 861 CA GLU A 56 0.828 -0.677 -6.895 1.00 0.00 C ATOM 862 C GLU A 56 -0.659 -0.502 -6.579 1.00 0.00 C ATOM 863 O GLU A 56 -1.254 -1.332 -5.893 1.00 0.00 O ATOM 864 CB GLU A 56 1.061 -1.913 -7.766 1.00 0.00 C ATOM 865 CG GLU A 56 2.406 -1.828 -8.490 1.00 0.00 C ATOM 866 CD GLU A 56 3.548 -1.598 -7.499 1.00 0.00 C ATOM 867 OE1 GLU A 56 3.982 -2.600 -6.890 1.00 0.00 O ATOM 868 OE2 GLU A 56 3.963 -0.425 -7.374 1.00 0.00 O ATOM 0 H GLU A 56 1.417 -1.581 -5.099 1.00 0.00 H new ATOM 0 HA GLU A 56 1.165 0.193 -7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.034 -2.809 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.256 -2.005 -8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.582 -2.749 -9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.381 -1.016 -9.217 1.00 0.00 H new ATOM 875 N MET A 57 -1.217 0.584 -7.093 1.00 0.00 N ATOM 876 CA MET A 57 -2.622 0.879 -6.874 1.00 0.00 C ATOM 877 C MET A 57 -3.460 0.497 -8.096 1.00 0.00 C ATOM 878 O MET A 57 -2.984 0.572 -9.228 1.00 0.00 O ATOM 879 CB MET A 57 -2.792 2.372 -6.586 1.00 0.00 C ATOM 880 CG MET A 57 -4.268 2.732 -6.405 1.00 0.00 C ATOM 881 SD MET A 57 -4.470 4.505 -6.412 1.00 0.00 S ATOM 882 CE MET A 57 -4.173 4.843 -8.140 1.00 0.00 C ATOM 0 H MET A 57 -0.721 1.271 -7.661 1.00 0.00 H new ATOM 0 HA MET A 57 -2.968 0.294 -6.022 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.236 2.638 -5.687 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.370 2.954 -7.405 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.860 2.287 -7.205 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.639 2.319 -5.467 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.482 5.863 -8.370 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.111 4.729 -8.356 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.745 4.144 -8.751 1.00 0.00 H new ATOM 892 N SER A 58 -4.693 0.095 -7.826 1.00 0.00 N ATOM 893 CA SER A 58 -5.601 -0.299 -8.890 1.00 0.00 C ATOM 894 C SER A 58 -6.890 0.522 -8.809 1.00 0.00 C ATOM 895 O SER A 58 -7.665 0.376 -7.865 1.00 0.00 O ATOM 896 CB SER A 58 -5.919 -1.794 -8.817 1.00 0.00 C ATOM 897 OG SER A 58 -7.201 -2.095 -9.362 1.00 0.00 O ATOM 0 H SER A 58 -5.085 0.034 -6.886 1.00 0.00 H new ATOM 0 HA SER A 58 -5.113 -0.105 -9.845 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.155 -2.354 -9.357 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.881 -2.122 -7.778 1.00 0.00 H new ATOM 0 HG SER A 58 -7.139 -2.138 -10.339 1.00 0.00 H new ATOM 903 N GLU A 59 -7.080 1.367 -9.811 1.00 0.00 N ATOM 904 CA GLU A 59 -8.261 2.211 -9.865 1.00 0.00 C ATOM 905 C GLU A 59 -9.467 1.406 -10.353 1.00 0.00 C ATOM 906 O GLU A 59 -9.647 1.219 -11.556 1.00 0.00 O ATOM 907 CB GLU A 59 -8.022 3.434 -10.753 1.00 0.00 C ATOM 908 CG GLU A 59 -9.136 4.466 -10.577 1.00 0.00 C ATOM 909 CD GLU A 59 -9.534 5.079 -11.922 1.00 0.00 C ATOM 910 OE1 GLU A 59 -9.564 4.313 -12.908 1.00 0.00 O ATOM 911 OE2 GLU A 59 -9.798 6.301 -11.932 1.00 0.00 O ATOM 0 H GLU A 59 -6.435 1.485 -10.593 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.472 2.571 -8.858 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.061 3.885 -10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.969 3.125 -11.797 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.004 3.994 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.804 5.252 -9.899 1.00 0.00 H new ATOM 918 N ASN A 60 -10.262 0.951 -9.396 1.00 0.00 N ATOM 919 CA ASN A 60 -11.445 0.171 -9.713 1.00 0.00 C ATOM 920 C ASN A 60 -11.043 -1.032 -10.570 1.00 0.00 C ATOM 921 O ASN A 60 -10.662 -2.075 -10.042 1.00 0.00 O ATOM 922 CB ASN A 60 -12.456 1.000 -10.507 1.00 0.00 C ATOM 923 CG ASN A 60 -13.368 1.796 -9.572 1.00 0.00 C ATOM 924 OD1 ASN A 60 -14.252 1.261 -8.923 1.00 0.00 O ATOM 925 ND2 ASN A 60 -13.106 3.099 -9.539 1.00 0.00 N ATOM 0 H ASN A 60 -10.109 1.108 -8.400 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.899 -0.149 -8.775 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.928 1.682 -11.174 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -13.058 0.343 -11.135 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.660 3.716 -8.945 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.351 3.482 -10.108 1.00 0.00 H new ATOM 932 N ASN A 61 -11.142 -0.845 -11.878 1.00 0.00 N ATOM 933 CA ASN A 61 -10.793 -1.901 -12.813 1.00 0.00 C ATOM 934 C ASN A 61 -9.535 -1.499 -13.584 1.00 0.00 C ATOM 935 O ASN A 61 -9.415 -1.782 -14.775 1.00 0.00 O ATOM 936 CB ASN A 61 -11.915 -2.132 -13.827 1.00 0.00 C ATOM 937 CG ASN A 61 -13.065 -2.925 -13.202 1.00 0.00 C ATOM 938 OD1 ASN A 61 -13.565 -2.608 -12.136 1.00 0.00 O ATOM 939 ND2 ASN A 61 -13.453 -3.973 -13.923 1.00 0.00 N ATOM 0 H ASN A 61 -11.459 0.022 -12.312 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.628 -2.815 -12.242 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.285 -1.173 -14.190 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.524 -2.670 -14.690 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.213 -4.567 -13.591 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.991 -4.182 -14.808 1.00 0.00 H new ATOM 946 N ALA A 62 -8.627 -0.845 -12.873 1.00 0.00 N ATOM 947 CA ALA A 62 -7.382 -0.401 -13.476 1.00 0.00 C ATOM 948 C ALA A 62 -6.278 -1.411 -13.156 1.00 0.00 C ATOM 949 O ALA A 62 -6.318 -2.073 -12.121 1.00 0.00 O ATOM 950 CB ALA A 62 -7.047 1.006 -12.978 1.00 0.00 C ATOM 0 H ALA A 62 -8.729 -0.612 -11.885 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.477 -0.349 -14.561 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.113 1.339 -13.430 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.849 1.690 -13.255 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.940 0.992 -11.893 1.00 0.00 H new ATOM 956 N PRO A 63 -5.292 -1.498 -14.089 1.00 0.00 N ATOM 957 CA PRO A 63 -4.178 -2.416 -13.917 1.00 0.00 C ATOM 958 C PRO A 63 -3.191 -1.890 -12.873 1.00 0.00 C ATOM 959 O PRO A 63 -2.971 -0.684 -12.773 1.00 0.00 O ATOM 960 CB PRO A 63 -3.563 -2.551 -15.301 1.00 0.00 C ATOM 961 CG PRO A 63 -4.060 -1.356 -16.097 1.00 0.00 C ATOM 962 CD PRO A 63 -5.211 -0.729 -15.328 1.00 0.00 C ATOM 0 HA PRO A 63 -4.489 -3.389 -13.537 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.474 -2.558 -15.246 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.864 -3.487 -15.772 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.258 -0.632 -16.240 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.388 -1.668 -17.088 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.025 0.326 -15.128 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.142 -0.787 -15.892 1.00 0.00 H new ATOM 970 N TRP A 64 -2.622 -2.822 -12.122 1.00 0.00 N ATOM 971 CA TRP A 64 -1.663 -2.467 -11.089 1.00 0.00 C ATOM 972 C TRP A 64 -0.720 -1.409 -11.663 1.00 0.00 C ATOM 973 O TRP A 64 0.096 -1.706 -12.534 1.00 0.00 O ATOM 974 CB TRP A 64 -0.929 -3.707 -10.575 1.00 0.00 C ATOM 975 CG TRP A 64 -1.852 -4.787 -10.006 1.00 0.00 C ATOM 976 CD1 TRP A 64 -2.008 -6.047 -10.433 1.00 0.00 C ATOM 977 CD2 TRP A 64 -2.747 -4.648 -8.883 1.00 0.00 C ATOM 978 NE1 TRP A 64 -2.933 -6.729 -9.669 1.00 0.00 N ATOM 979 CE2 TRP A 64 -3.397 -5.851 -8.697 1.00 0.00 C ATOM 980 CE3 TRP A 64 -2.999 -3.543 -8.051 1.00 0.00 C ATOM 981 CZ2 TRP A 64 -4.341 -6.064 -7.685 1.00 0.00 C ATOM 982 CZ3 TRP A 64 -3.945 -3.772 -7.044 1.00 0.00 C ATOM 983 CH2 TRP A 64 -4.608 -4.977 -6.844 1.00 0.00 C ATOM 0 H TRP A 64 -2.806 -3.821 -12.208 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.169 -2.047 -10.220 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.346 -4.135 -11.390 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.222 -3.404 -9.802 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -1.477 -6.475 -11.270 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.223 -7.699 -9.795 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.502 -2.593 -8.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.836 -7.015 -7.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.175 -2.955 -6.376 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.326 -5.074 -6.043 1.00 0.00 H new ATOM 994 N THR A 65 -0.863 -0.195 -11.152 1.00 0.00 N ATOM 995 CA THR A 65 -0.034 0.910 -11.602 1.00 0.00 C ATOM 996 C THR A 65 0.968 1.303 -10.515 1.00 0.00 C ATOM 997 O THR A 65 0.579 1.780 -9.450 1.00 0.00 O ATOM 998 CB THR A 65 -0.958 2.055 -12.020 1.00 0.00 C ATOM 999 OG1 THR A 65 -0.211 2.762 -13.007 1.00 0.00 O ATOM 1000 CG2 THR A 65 -1.161 3.081 -10.902 1.00 0.00 C ATOM 0 H THR A 65 -1.541 0.048 -10.430 1.00 0.00 H new ATOM 0 HA THR A 65 0.567 0.627 -12.466 1.00 0.00 H new ATOM 0 HB THR A 65 -1.924 1.650 -12.322 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.737 3.521 -13.334 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.825 3.872 -11.251 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.604 2.591 -10.035 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.199 3.511 -10.623 1.00 0.00 H new ATOM 1008 N VAL A 66 2.239 1.087 -10.820 1.00 0.00 N ATOM 1009 CA VAL A 66 3.300 1.413 -9.882 1.00 0.00 C ATOM 1010 C VAL A 66 3.187 2.885 -9.482 1.00 0.00 C ATOM 1011 O VAL A 66 3.597 3.769 -10.232 1.00 0.00 O ATOM 1012 CB VAL A 66 4.660 1.060 -10.487 1.00 0.00 C ATOM 1013 CG1 VAL A 66 5.801 1.537 -9.586 1.00 0.00 C ATOM 1014 CG2 VAL A 66 4.767 -0.441 -10.758 1.00 0.00 C ATOM 0 H VAL A 66 2.558 0.690 -11.704 1.00 0.00 H new ATOM 0 HA VAL A 66 3.201 0.821 -8.972 1.00 0.00 H new ATOM 0 HB VAL A 66 4.747 1.579 -11.441 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.757 1.274 -10.039 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.742 2.619 -9.466 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.718 1.059 -8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.743 -0.664 -11.188 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.648 -0.989 -9.823 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.986 -0.741 -11.456 1.00 0.00 H new ATOM 1024 N LEU A 67 2.628 3.103 -8.300 1.00 0.00 N ATOM 1025 CA LEU A 67 2.456 4.454 -7.792 1.00 0.00 C ATOM 1026 C LEU A 67 3.764 4.924 -7.152 1.00 0.00 C ATOM 1027 O LEU A 67 4.361 5.901 -7.599 1.00 0.00 O ATOM 1028 CB LEU A 67 1.251 4.522 -6.851 1.00 0.00 C ATOM 1029 CG LEU A 67 -0.034 5.100 -7.448 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -1.080 5.347 -6.359 1.00 0.00 C ATOM 1031 CD2 LEU A 67 0.258 6.363 -8.260 1.00 0.00 C ATOM 0 H LEU A 67 2.289 2.367 -7.680 1.00 0.00 H new ATOM 0 HA LEU A 67 2.235 5.143 -8.607 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.040 3.515 -6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.526 5.121 -5.983 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.452 4.365 -8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.984 5.758 -6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.317 4.406 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.685 6.053 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.672 6.753 -8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.711 7.114 -7.614 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.943 6.123 -9.073 1.00 0.00 H new ATOM 1043 N LEU A 68 4.170 4.205 -6.116 1.00 0.00 N ATOM 1044 CA LEU A 68 5.396 4.536 -5.410 1.00 0.00 C ATOM 1045 C LEU A 68 6.461 3.485 -5.726 1.00 0.00 C ATOM 1046 O LEU A 68 6.353 2.338 -5.296 1.00 0.00 O ATOM 1047 CB LEU A 68 5.124 4.705 -3.914 1.00 0.00 C ATOM 1048 CG LEU A 68 5.325 6.113 -3.350 1.00 0.00 C ATOM 1049 CD1 LEU A 68 4.762 6.222 -1.932 1.00 0.00 C ATOM 1050 CD2 LEU A 68 6.798 6.524 -3.415 1.00 0.00 C ATOM 0 H LEU A 68 3.672 3.394 -5.748 1.00 0.00 H new ATOM 0 HA LEU A 68 5.784 5.496 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.097 4.399 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.773 4.020 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 68 4.767 6.813 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.918 7.233 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.695 6.001 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.271 5.510 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.914 7.529 -3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.397 5.825 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.134 6.512 -4.452 1.00 0.00 H new ATOM 1062 N ALA A 69 7.467 3.914 -6.475 1.00 0.00 N ATOM 1063 CA ALA A 69 8.551 3.024 -6.854 1.00 0.00 C ATOM 1064 C ALA A 69 9.660 3.103 -5.804 1.00 0.00 C ATOM 1065 O ALA A 69 10.424 2.154 -5.630 1.00 0.00 O ATOM 1066 CB ALA A 69 9.047 3.391 -8.254 1.00 0.00 C ATOM 0 H ALA A 69 7.554 4.867 -6.829 1.00 0.00 H new ATOM 0 HA ALA A 69 8.205 1.991 -6.891 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.860 2.723 -8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.229 3.291 -8.968 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.405 4.420 -8.255 1.00 0.00 H new ATOM 1072 N SER A 70 9.715 4.243 -5.131 1.00 0.00 N ATOM 1073 CA SER A 70 10.718 4.458 -4.102 1.00 0.00 C ATOM 1074 C SER A 70 10.042 4.645 -2.742 1.00 0.00 C ATOM 1075 O SER A 70 9.544 5.727 -2.436 1.00 0.00 O ATOM 1076 CB SER A 70 11.593 5.670 -4.431 1.00 0.00 C ATOM 1077 OG SER A 70 11.713 6.558 -3.323 1.00 0.00 O ATOM 0 H SER A 70 9.081 5.028 -5.278 1.00 0.00 H new ATOM 0 HA SER A 70 11.361 3.579 -4.063 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.584 5.331 -4.733 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.167 6.205 -5.280 1.00 0.00 H new ATOM 0 HG SER A 70 10.824 6.875 -3.060 1.00 0.00 H new ATOM 1083 N VAL A 71 10.046 3.574 -1.963 1.00 0.00 N ATOM 1084 CA VAL A 71 9.439 3.606 -0.643 1.00 0.00 C ATOM 1085 C VAL A 71 10.479 3.196 0.402 1.00 0.00 C ATOM 1086 O VAL A 71 11.400 2.438 0.102 1.00 0.00 O ATOM 1087 CB VAL A 71 8.189 2.724 -0.620 1.00 0.00 C ATOM 1088 CG1 VAL A 71 7.712 2.487 0.814 1.00 0.00 C ATOM 1089 CG2 VAL A 71 7.075 3.330 -1.476 1.00 0.00 C ATOM 0 H VAL A 71 10.460 2.678 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 71 9.112 4.616 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 71 8.453 1.757 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.822 1.857 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.499 1.992 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.474 3.443 1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.198 2.684 -1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.814 4.315 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.418 3.423 -2.506 1.00 0.00 H new ATOM 1099 N ASP A 72 10.297 3.716 1.607 1.00 0.00 N ATOM 1100 CA ASP A 72 11.208 3.413 2.698 1.00 0.00 C ATOM 1101 C ASP A 72 11.017 1.957 3.127 1.00 0.00 C ATOM 1102 O ASP A 72 9.889 1.479 3.230 1.00 0.00 O ATOM 1103 CB ASP A 72 10.930 4.304 3.910 1.00 0.00 C ATOM 1104 CG ASP A 72 11.983 5.381 4.177 1.00 0.00 C ATOM 1105 OD1 ASP A 72 12.579 5.851 3.184 1.00 0.00 O ATOM 1106 OD2 ASP A 72 12.170 5.710 5.369 1.00 0.00 O ATOM 0 H ASP A 72 9.532 4.345 1.852 1.00 0.00 H new ATOM 0 HA ASP A 72 12.225 3.588 2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.964 4.789 3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.846 3.672 4.794 1.00 0.00 H new ATOM 1111 N PRO A 73 12.168 1.275 3.372 1.00 0.00 N ATOM 1112 CA PRO A 73 12.139 -0.117 3.787 1.00 0.00 C ATOM 1113 C PRO A 73 11.711 -0.243 5.251 1.00 0.00 C ATOM 1114 O PRO A 73 11.179 -1.274 5.659 1.00 0.00 O ATOM 1115 CB PRO A 73 13.546 -0.633 3.533 1.00 0.00 C ATOM 1116 CG PRO A 73 14.429 0.599 3.424 1.00 0.00 C ATOM 1117 CD PRO A 73 13.523 1.809 3.260 1.00 0.00 C ATOM 0 HA PRO A 73 11.408 -0.706 3.234 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.877 -1.280 4.345 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.586 -1.224 2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.049 0.704 4.314 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.105 0.510 2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.719 2.557 4.028 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.679 2.293 2.296 1.00 0.00 H new ATOM 1125 N LYS A 74 11.960 0.820 6.001 1.00 0.00 N ATOM 1126 CA LYS A 74 11.608 0.841 7.410 1.00 0.00 C ATOM 1127 C LYS A 74 10.202 1.424 7.571 1.00 0.00 C ATOM 1128 O LYS A 74 9.852 1.923 8.640 1.00 0.00 O ATOM 1129 CB LYS A 74 12.676 1.580 8.219 1.00 0.00 C ATOM 1130 CG LYS A 74 13.981 0.783 8.261 1.00 0.00 C ATOM 1131 CD LYS A 74 14.300 0.328 9.686 1.00 0.00 C ATOM 1132 CE LYS A 74 14.343 1.519 10.645 1.00 0.00 C ATOM 1133 NZ LYS A 74 15.489 1.395 11.574 1.00 0.00 N ATOM 0 H LYS A 74 12.402 1.674 5.659 1.00 0.00 H new ATOM 0 HA LYS A 74 11.582 -0.172 7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.858 2.560 7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.316 1.749 9.234 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.902 -0.086 7.607 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.798 1.396 7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.547 -0.386 10.021 1.00 0.00 H new ATOM 0 HD3 LYS A 74 15.259 -0.190 9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.425 2.447 10.079 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.413 1.572 11.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.504 2.211 12.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.394 0.519 12.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.375 1.367 11.030 1.00 0.00 H new ATOM 1147 N ALA A 75 9.435 1.341 6.495 1.00 0.00 N ATOM 1148 CA ALA A 75 8.075 1.853 6.503 1.00 0.00 C ATOM 1149 C ALA A 75 7.097 0.696 6.292 1.00 0.00 C ATOM 1150 O ALA A 75 7.298 -0.139 5.411 1.00 0.00 O ATOM 1151 CB ALA A 75 7.932 2.940 5.435 1.00 0.00 C ATOM 0 H ALA A 75 9.729 0.927 5.611 1.00 0.00 H new ATOM 0 HA ALA A 75 7.843 2.309 7.465 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.912 3.324 5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.627 3.752 5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.155 2.519 4.455 1.00 0.00 H new ATOM 1157 N THR A 76 6.059 0.683 7.116 1.00 0.00 N ATOM 1158 CA THR A 76 5.049 -0.359 7.030 1.00 0.00 C ATOM 1159 C THR A 76 3.697 0.241 6.641 1.00 0.00 C ATOM 1160 O THR A 76 2.717 -0.484 6.476 1.00 0.00 O ATOM 1161 CB THR A 76 5.023 -1.102 8.367 1.00 0.00 C ATOM 1162 OG1 THR A 76 5.333 -0.098 9.329 1.00 0.00 O ATOM 1163 CG2 THR A 76 6.166 -2.111 8.499 1.00 0.00 C ATOM 0 H THR A 76 5.896 1.377 7.846 1.00 0.00 H new ATOM 0 HA THR A 76 5.287 -1.079 6.247 1.00 0.00 H new ATOM 0 HB THR A 76 4.069 -1.618 8.476 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.336 -0.494 10.226 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.101 -2.610 9.466 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.092 -2.851 7.702 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.121 -1.591 8.423 1.00 0.00 H new ATOM 1171 N SER A 77 3.686 1.559 6.506 1.00 0.00 N ATOM 1172 CA SER A 77 2.470 2.265 6.140 1.00 0.00 C ATOM 1173 C SER A 77 2.792 3.381 5.144 1.00 0.00 C ATOM 1174 O SER A 77 3.887 3.940 5.166 1.00 0.00 O ATOM 1175 CB SER A 77 1.774 2.840 7.375 1.00 0.00 C ATOM 1176 OG SER A 77 2.697 3.454 8.271 1.00 0.00 O ATOM 0 H SER A 77 4.501 2.157 6.644 1.00 0.00 H new ATOM 0 HA SER A 77 1.790 1.554 5.671 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.029 3.573 7.063 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.240 2.044 7.894 1.00 0.00 H new ATOM 0 HG SER A 77 2.213 3.810 9.045 1.00 0.00 H new ATOM 1182 N VAL A 78 1.818 3.671 4.295 1.00 0.00 N ATOM 1183 CA VAL A 78 1.984 4.710 3.293 1.00 0.00 C ATOM 1184 C VAL A 78 0.640 5.401 3.053 1.00 0.00 C ATOM 1185 O VAL A 78 -0.414 4.825 3.319 1.00 0.00 O ATOM 1186 CB VAL A 78 2.587 4.117 2.018 1.00 0.00 C ATOM 1187 CG1 VAL A 78 1.560 3.259 1.274 1.00 0.00 C ATOM 1188 CG2 VAL A 78 3.143 5.216 1.111 1.00 0.00 C ATOM 0 H VAL A 78 0.911 3.205 4.280 1.00 0.00 H new ATOM 0 HA VAL A 78 2.682 5.470 3.644 1.00 0.00 H new ATOM 0 HB VAL A 78 3.416 3.472 2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.014 2.849 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.233 2.443 1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.702 3.873 1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.566 4.767 0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.340 5.899 0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.920 5.767 1.641 1.00 0.00 H new ATOM 1198 N THR A 79 0.721 6.626 2.554 1.00 0.00 N ATOM 1199 CA THR A 79 -0.476 7.401 2.276 1.00 0.00 C ATOM 1200 C THR A 79 -0.483 7.866 0.818 1.00 0.00 C ATOM 1201 O THR A 79 0.438 8.552 0.377 1.00 0.00 O ATOM 1202 CB THR A 79 -0.537 8.553 3.281 1.00 0.00 C ATOM 1203 OG1 THR A 79 -0.752 7.909 4.534 1.00 0.00 O ATOM 1204 CG2 THR A 79 -1.778 9.428 3.094 1.00 0.00 C ATOM 0 H THR A 79 1.597 7.101 2.335 1.00 0.00 H new ATOM 0 HA THR A 79 -1.375 6.797 2.397 1.00 0.00 H new ATOM 0 HB THR A 79 0.358 9.167 3.184 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.669 7.566 4.572 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.772 10.230 3.832 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.773 9.857 2.092 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.674 8.821 3.225 1.00 0.00 H new ATOM 1212 N VAL A 80 -1.533 7.474 0.111 1.00 0.00 N ATOM 1213 CA VAL A 80 -1.672 7.842 -1.288 1.00 0.00 C ATOM 1214 C VAL A 80 -2.502 9.123 -1.394 1.00 0.00 C ATOM 1215 O VAL A 80 -3.468 9.303 -0.654 1.00 0.00 O ATOM 1216 CB VAL A 80 -2.269 6.676 -2.079 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -2.310 6.992 -3.575 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -1.498 5.381 -1.813 1.00 0.00 C ATOM 0 H VAL A 80 -2.295 6.906 0.481 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.696 8.050 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.295 6.531 -1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.739 6.147 -4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.922 7.878 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.298 7.177 -3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.943 4.568 -2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.458 5.509 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.544 5.142 -0.751 1.00 0.00 H new ATOM 1228 N LYS A 81 -2.096 9.979 -2.320 1.00 0.00 N ATOM 1229 CA LYS A 81 -2.790 11.237 -2.532 1.00 0.00 C ATOM 1230 C LYS A 81 -2.997 11.454 -4.032 1.00 0.00 C ATOM 1231 O LYS A 81 -2.201 10.988 -4.846 1.00 0.00 O ATOM 1232 CB LYS A 81 -2.046 12.383 -1.842 1.00 0.00 C ATOM 1233 CG LYS A 81 -1.795 12.064 -0.367 1.00 0.00 C ATOM 1234 CD LYS A 81 -0.568 12.814 0.155 1.00 0.00 C ATOM 1235 CE LYS A 81 0.495 11.839 0.665 1.00 0.00 C ATOM 1236 NZ LYS A 81 1.848 12.295 0.273 1.00 0.00 N ATOM 0 H LYS A 81 -1.295 9.826 -2.932 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.779 11.208 -2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -1.096 12.560 -2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.627 13.301 -1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.671 12.337 0.222 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.650 10.991 -0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.149 13.431 -0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.864 13.488 0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.432 11.758 1.750 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.309 10.844 0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.557 11.622 0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.909 12.349 -0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.029 13.235 0.680 1.00 0.00 H new ATOM 1250 N GLY A 82 -4.070 12.162 -4.353 1.00 0.00 N ATOM 1251 CA GLY A 82 -4.392 12.446 -5.741 1.00 0.00 C ATOM 1252 C GLY A 82 -5.423 11.451 -6.279 1.00 0.00 C ATOM 1253 O GLY A 82 -5.426 11.138 -7.469 1.00 0.00 O ATOM 0 H GLY A 82 -4.728 12.548 -3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.781 13.461 -5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.486 12.399 -6.345 1.00 0.00 H new ATOM 1257 N LEU A 83 -6.273 10.982 -5.377 1.00 0.00 N ATOM 1258 CA LEU A 83 -7.306 10.030 -5.747 1.00 0.00 C ATOM 1259 C LEU A 83 -8.535 10.788 -6.254 1.00 0.00 C ATOM 1260 O LEU A 83 -8.522 12.015 -6.333 1.00 0.00 O ATOM 1261 CB LEU A 83 -7.604 9.084 -4.582 1.00 0.00 C ATOM 1262 CG LEU A 83 -6.704 7.852 -4.472 1.00 0.00 C ATOM 1263 CD1 LEU A 83 -5.443 8.015 -5.323 1.00 0.00 C ATOM 1264 CD2 LEU A 83 -6.372 7.544 -3.010 1.00 0.00 C ATOM 0 H LEU A 83 -6.267 11.244 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.964 9.395 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.528 9.649 -3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.637 8.748 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.250 6.995 -4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.821 7.125 -5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.724 8.150 -6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.884 8.887 -4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.731 6.664 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.855 8.395 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.294 7.353 -2.460 1.00 0.00 H new ATOM 1276 N VAL A 84 -9.566 10.025 -6.583 1.00 0.00 N ATOM 1277 CA VAL A 84 -10.801 10.609 -7.080 1.00 0.00 C ATOM 1278 C VAL A 84 -11.949 10.241 -6.139 1.00 0.00 C ATOM 1279 O VAL A 84 -12.002 9.125 -5.625 1.00 0.00 O ATOM 1280 CB VAL A 84 -11.046 10.166 -8.524 1.00 0.00 C ATOM 1281 CG1 VAL A 84 -12.400 10.667 -9.029 1.00 0.00 C ATOM 1282 CG2 VAL A 84 -9.912 10.631 -9.440 1.00 0.00 C ATOM 0 H VAL A 84 -9.572 9.007 -6.515 1.00 0.00 H new ATOM 0 HA VAL A 84 -10.730 11.697 -7.096 1.00 0.00 H new ATOM 0 HB VAL A 84 -11.065 9.076 -8.542 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.549 10.338 -10.058 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -13.194 10.264 -8.401 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.423 11.756 -8.989 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.111 10.303 -10.460 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.847 11.719 -9.415 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.970 10.203 -9.098 1.00 0.00 H new ATOM 1292 N PRO A 85 -12.865 11.226 -5.936 1.00 0.00 N ATOM 1293 CA PRO A 85 -14.009 11.017 -5.066 1.00 0.00 C ATOM 1294 C PRO A 85 -15.059 10.134 -5.743 1.00 0.00 C ATOM 1295 O PRO A 85 -15.305 10.263 -6.941 1.00 0.00 O ATOM 1296 CB PRO A 85 -14.522 12.412 -4.749 1.00 0.00 C ATOM 1297 CG PRO A 85 -13.940 13.324 -5.817 1.00 0.00 C ATOM 1298 CD PRO A 85 -12.834 12.560 -6.528 1.00 0.00 C ATOM 0 HA PRO A 85 -13.750 10.485 -4.151 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -15.612 12.440 -4.763 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -14.208 12.727 -3.754 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -14.712 13.625 -6.525 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -13.547 14.236 -5.368 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -13.008 12.520 -7.603 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.865 13.037 -6.380 1.00 0.00 H new ATOM 1306 N ALA A 86 -15.649 9.255 -4.946 1.00 0.00 N ATOM 1307 CA ALA A 86 -16.666 8.350 -5.453 1.00 0.00 C ATOM 1308 C ALA A 86 -16.020 7.353 -6.418 1.00 0.00 C ATOM 1309 O ALA A 86 -16.531 7.123 -7.513 1.00 0.00 O ATOM 1310 CB ALA A 86 -17.785 9.158 -6.113 1.00 0.00 C ATOM 0 H ALA A 86 -15.442 9.151 -3.953 1.00 0.00 H new ATOM 0 HA ALA A 86 -17.112 7.779 -4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -18.548 8.479 -6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -18.230 9.830 -5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -17.375 9.742 -6.937 1.00 0.00 H new ATOM 1316 N ARG A 87 -14.907 6.787 -5.976 1.00 0.00 N ATOM 1317 CA ARG A 87 -14.186 5.820 -6.786 1.00 0.00 C ATOM 1318 C ARG A 87 -13.420 4.844 -5.891 1.00 0.00 C ATOM 1319 O ARG A 87 -12.853 5.242 -4.875 1.00 0.00 O ATOM 1320 CB ARG A 87 -13.204 6.515 -7.730 1.00 0.00 C ATOM 1321 CG ARG A 87 -13.897 6.946 -9.024 1.00 0.00 C ATOM 1322 CD ARG A 87 -12.887 7.102 -10.162 1.00 0.00 C ATOM 1323 NE ARG A 87 -13.564 6.929 -11.467 1.00 0.00 N ATOM 1324 CZ ARG A 87 -14.440 7.804 -11.980 1.00 0.00 C ATOM 1325 NH1 ARG A 87 -14.751 8.917 -11.303 1.00 0.00 N ATOM 1326 NH2 ARG A 87 -15.005 7.564 -13.172 1.00 0.00 N ATOM 0 H ARG A 87 -14.487 6.980 -5.067 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.918 5.274 -7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.774 7.386 -7.236 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.379 5.841 -7.962 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.650 6.208 -9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.419 7.890 -8.864 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -12.420 8.086 -10.113 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.090 6.366 -10.056 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.351 6.092 -12.009 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.321 9.099 -10.396 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -15.418 9.582 -11.694 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.768 6.716 -13.687 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -15.672 8.229 -13.563 1.00 0.00 H new ATOM 1340 N SER A 88 -13.427 3.584 -6.302 1.00 0.00 N ATOM 1341 CA SER A 88 -12.739 2.548 -5.550 1.00 0.00 C ATOM 1342 C SER A 88 -11.249 2.553 -5.895 1.00 0.00 C ATOM 1343 O SER A 88 -10.869 2.885 -7.017 1.00 0.00 O ATOM 1344 CB SER A 88 -13.344 1.171 -5.830 1.00 0.00 C ATOM 1345 OG SER A 88 -14.636 1.026 -5.245 1.00 0.00 O ATOM 0 H SER A 88 -13.898 3.257 -7.146 1.00 0.00 H new ATOM 0 HA SER A 88 -12.860 2.759 -4.487 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.415 1.018 -6.907 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.681 0.398 -5.441 1.00 0.00 H new ATOM 0 HG SER A 88 -14.989 0.134 -5.448 1.00 0.00 H new ATOM 1351 N TYR A 89 -10.445 2.181 -4.910 1.00 0.00 N ATOM 1352 CA TYR A 89 -9.004 2.138 -5.096 1.00 0.00 C ATOM 1353 C TYR A 89 -8.383 0.986 -4.304 1.00 0.00 C ATOM 1354 O TYR A 89 -8.666 0.819 -3.119 1.00 0.00 O ATOM 1355 CB TYR A 89 -8.469 3.463 -4.549 1.00 0.00 C ATOM 1356 CG TYR A 89 -8.690 4.656 -5.481 1.00 0.00 C ATOM 1357 CD1 TYR A 89 -7.975 4.754 -6.658 1.00 0.00 C ATOM 1358 CD2 TYR A 89 -9.604 5.634 -5.146 1.00 0.00 C ATOM 1359 CE1 TYR A 89 -8.183 5.876 -7.535 1.00 0.00 C ATOM 1360 CE2 TYR A 89 -9.812 6.757 -6.023 1.00 0.00 C ATOM 1361 CZ TYR A 89 -9.091 6.822 -7.175 1.00 0.00 C ATOM 1362 OH TYR A 89 -9.287 7.883 -8.004 1.00 0.00 O ATOM 0 H TYR A 89 -10.764 1.907 -3.981 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.757 1.989 -6.147 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.948 3.669 -3.592 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.401 3.360 -4.355 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.260 3.989 -6.921 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.164 5.557 -4.226 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.630 5.965 -8.459 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.524 7.530 -5.772 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.653 7.568 -8.857 1.00 0.00 H new ATOM 1372 N GLN A 90 -7.549 0.220 -4.992 1.00 0.00 N ATOM 1373 CA GLN A 90 -6.886 -0.912 -4.368 1.00 0.00 C ATOM 1374 C GLN A 90 -5.394 -0.622 -4.190 1.00 0.00 C ATOM 1375 O GLN A 90 -4.820 0.174 -4.932 1.00 0.00 O ATOM 1376 CB GLN A 90 -7.102 -2.191 -5.181 1.00 0.00 C ATOM 1377 CG GLN A 90 -8.388 -2.900 -4.754 1.00 0.00 C ATOM 1378 CD GLN A 90 -8.505 -4.272 -5.422 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -7.955 -4.524 -6.481 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -9.250 -5.142 -4.745 1.00 0.00 N ATOM 0 H GLN A 90 -7.317 0.361 -5.975 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.326 -1.067 -3.383 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.152 -1.948 -6.242 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.252 -2.860 -5.047 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.401 -3.017 -3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.250 -2.288 -5.019 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.682 -4.866 -3.863 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.389 -6.085 -5.108 1.00 0.00 H new ATOM 1389 N PHE A 91 -4.809 -1.283 -3.202 1.00 0.00 N ATOM 1390 CA PHE A 91 -3.395 -1.105 -2.917 1.00 0.00 C ATOM 1391 C PHE A 91 -2.731 -2.442 -2.583 1.00 0.00 C ATOM 1392 O PHE A 91 -3.329 -3.287 -1.918 1.00 0.00 O ATOM 1393 CB PHE A 91 -3.296 -0.182 -1.701 1.00 0.00 C ATOM 1394 CG PHE A 91 -3.733 1.259 -1.977 1.00 0.00 C ATOM 1395 CD1 PHE A 91 -3.026 2.029 -2.847 1.00 0.00 C ATOM 1396 CD2 PHE A 91 -4.827 1.768 -1.351 1.00 0.00 C ATOM 1397 CE1 PHE A 91 -3.431 3.366 -3.102 1.00 0.00 C ATOM 1398 CE2 PHE A 91 -5.233 3.105 -1.607 1.00 0.00 C ATOM 1399 CZ PHE A 91 -4.526 3.875 -2.477 1.00 0.00 C ATOM 0 H PHE A 91 -5.288 -1.943 -2.589 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.890 -0.686 -3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.909 -0.589 -0.897 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.266 -0.177 -1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.157 1.624 -3.344 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.387 1.156 -0.659 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.869 3.978 -3.792 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.103 3.510 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.835 4.892 -2.672 1.00 0.00 H new ATOM 1409 N ARG A 92 -1.504 -2.593 -3.059 1.00 0.00 N ATOM 1410 CA ARG A 92 -0.752 -3.813 -2.819 1.00 0.00 C ATOM 1411 C ARG A 92 0.732 -3.589 -3.115 1.00 0.00 C ATOM 1412 O ARG A 92 1.113 -3.364 -4.263 1.00 0.00 O ATOM 1413 CB ARG A 92 -1.271 -4.960 -3.688 1.00 0.00 C ATOM 1414 CG ARG A 92 -1.349 -4.542 -5.158 1.00 0.00 C ATOM 1415 CD ARG A 92 -0.898 -5.680 -6.076 1.00 0.00 C ATOM 1416 NE ARG A 92 -0.092 -5.139 -7.193 1.00 0.00 N ATOM 1417 CZ ARG A 92 0.841 -5.839 -7.854 1.00 0.00 C ATOM 1418 NH1 ARG A 92 1.090 -7.111 -7.514 1.00 0.00 N ATOM 1419 NH2 ARG A 92 1.524 -5.267 -8.855 1.00 0.00 N ATOM 0 H ARG A 92 -1.011 -1.890 -3.610 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.880 -4.080 -1.770 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.614 -5.824 -3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.258 -5.267 -3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.371 -4.255 -5.404 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.723 -3.666 -5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.311 -6.404 -5.510 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.767 -6.209 -6.467 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.257 -4.173 -7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 92 0.570 -7.547 -6.752 1.00 0.00 H new ATOM 0 HH12 ARG A 92 1.800 -7.644 -8.017 1.00 0.00 H new ATOM 0 HH21 ARG A 92 1.334 -4.299 -9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 92 2.234 -5.800 -9.358 1.00 0.00 H new ATOM 1433 N LEU A 93 1.530 -3.658 -2.060 1.00 0.00 N ATOM 1434 CA LEU A 93 2.965 -3.466 -2.193 1.00 0.00 C ATOM 1435 C LEU A 93 3.681 -4.787 -1.905 1.00 0.00 C ATOM 1436 O LEU A 93 3.088 -5.710 -1.349 1.00 0.00 O ATOM 1437 CB LEU A 93 3.434 -2.308 -1.310 1.00 0.00 C ATOM 1438 CG LEU A 93 3.063 -2.401 0.172 1.00 0.00 C ATOM 1439 CD1 LEU A 93 4.132 -1.742 1.047 1.00 0.00 C ATOM 1440 CD2 LEU A 93 1.673 -1.816 0.427 1.00 0.00 C ATOM 0 H LEU A 93 1.211 -3.844 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 93 3.218 -3.182 -3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.519 -2.234 -1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.021 -1.382 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 93 3.024 -3.454 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.844 -1.822 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.088 -2.244 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.227 -0.691 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.434 -1.895 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.659 -0.768 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.934 -2.368 -0.153 1.00 0.00 H new ATOM 1452 N CYS A 94 4.945 -4.835 -2.298 1.00 0.00 N ATOM 1453 CA CYS A 94 5.749 -6.028 -2.090 1.00 0.00 C ATOM 1454 C CYS A 94 7.054 -5.615 -1.408 1.00 0.00 C ATOM 1455 O CYS A 94 7.330 -4.426 -1.256 1.00 0.00 O ATOM 1456 CB CYS A 94 6.001 -6.776 -3.400 1.00 0.00 C ATOM 1457 SG CYS A 94 6.652 -5.623 -4.664 1.00 0.00 S ATOM 0 H CYS A 94 5.433 -4.067 -2.759 1.00 0.00 H new ATOM 0 HA CYS A 94 5.210 -6.725 -1.448 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.711 -7.586 -3.235 1.00 0.00 H new ATOM 0 HB3 CYS A 94 5.075 -7.230 -3.753 1.00 0.00 H new ATOM 0 HG CYS A 94 5.872 -5.634 -5.704 1.00 0.00 H new ATOM 1463 N ALA A 95 7.823 -6.620 -1.015 1.00 0.00 N ATOM 1464 CA ALA A 95 9.093 -6.376 -0.353 1.00 0.00 C ATOM 1465 C ALA A 95 10.230 -6.534 -1.365 1.00 0.00 C ATOM 1466 O ALA A 95 10.350 -7.573 -2.012 1.00 0.00 O ATOM 1467 CB ALA A 95 9.238 -7.324 0.839 1.00 0.00 C ATOM 0 H ALA A 95 7.591 -7.605 -1.142 1.00 0.00 H new ATOM 0 HA ALA A 95 9.135 -5.358 0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.191 -7.141 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.423 -7.152 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.203 -8.356 0.490 1.00 0.00 H new ATOM 1473 N VAL A 96 11.035 -5.487 -1.470 1.00 0.00 N ATOM 1474 CA VAL A 96 12.158 -5.496 -2.393 1.00 0.00 C ATOM 1475 C VAL A 96 13.443 -5.171 -1.628 1.00 0.00 C ATOM 1476 O VAL A 96 13.510 -4.171 -0.915 1.00 0.00 O ATOM 1477 CB VAL A 96 11.891 -4.532 -3.551 1.00 0.00 C ATOM 1478 CG1 VAL A 96 12.990 -4.632 -4.611 1.00 0.00 C ATOM 1479 CG2 VAL A 96 10.512 -4.781 -4.165 1.00 0.00 C ATOM 0 H VAL A 96 10.932 -4.627 -0.931 1.00 0.00 H new ATOM 0 HA VAL A 96 12.283 -6.485 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 96 11.901 -3.518 -3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 96 12.777 -3.937 -5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 96 13.952 -4.382 -4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 96 13.026 -5.648 -5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.348 -4.083 -4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.461 -5.802 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.744 -4.636 -3.405 1.00 0.00 H new ATOM 1489 N ASN A 97 14.431 -6.036 -1.803 1.00 0.00 N ATOM 1490 CA ASN A 97 15.711 -5.854 -1.138 1.00 0.00 C ATOM 1491 C ASN A 97 16.840 -6.066 -2.149 1.00 0.00 C ATOM 1492 O ASN A 97 16.586 -6.293 -3.331 1.00 0.00 O ATOM 1493 CB ASN A 97 15.893 -6.867 -0.007 1.00 0.00 C ATOM 1494 CG ASN A 97 15.189 -8.186 -0.333 1.00 0.00 C ATOM 1495 OD1 ASN A 97 14.667 -8.389 -1.417 1.00 0.00 O ATOM 1496 ND2 ASN A 97 15.204 -9.067 0.663 1.00 0.00 N ATOM 0 H ASN A 97 14.372 -6.864 -2.395 1.00 0.00 H new ATOM 0 HA ASN A 97 15.737 -4.845 -0.726 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.955 -7.048 0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.494 -6.457 0.921 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.760 -9.978 0.545 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.659 -8.832 1.545 1.00 0.00 H new ATOM 1503 N ASP A 98 18.063 -5.984 -1.647 1.00 0.00 N ATOM 1504 CA ASP A 98 19.232 -6.164 -2.491 1.00 0.00 C ATOM 1505 C ASP A 98 19.105 -7.482 -3.256 1.00 0.00 C ATOM 1506 O ASP A 98 19.231 -7.508 -4.480 1.00 0.00 O ATOM 1507 CB ASP A 98 20.512 -6.225 -1.654 1.00 0.00 C ATOM 1508 CG ASP A 98 21.775 -6.603 -2.430 1.00 0.00 C ATOM 1509 OD1 ASP A 98 21.987 -7.822 -2.610 1.00 0.00 O ATOM 1510 OD2 ASP A 98 22.499 -5.664 -2.826 1.00 0.00 O ATOM 0 H ASP A 98 18.270 -5.795 -0.666 1.00 0.00 H new ATOM 0 HA ASP A 98 19.288 -5.317 -3.174 1.00 0.00 H new ATOM 0 HB2 ASP A 98 20.669 -5.253 -1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 98 20.368 -6.947 -0.850 1.00 0.00 H new ATOM 1515 N VAL A 99 18.857 -8.545 -2.505 1.00 0.00 N ATOM 1516 CA VAL A 99 18.711 -9.863 -3.098 1.00 0.00 C ATOM 1517 C VAL A 99 17.824 -9.764 -4.340 1.00 0.00 C ATOM 1518 O VAL A 99 18.152 -10.321 -5.387 1.00 0.00 O ATOM 1519 CB VAL A 99 18.174 -10.848 -2.057 1.00 0.00 C ATOM 1520 CG1 VAL A 99 18.998 -10.789 -0.770 1.00 0.00 C ATOM 1521 CG2 VAL A 99 16.693 -10.592 -1.773 1.00 0.00 C ATOM 0 H VAL A 99 18.753 -8.520 -1.491 1.00 0.00 H new ATOM 0 HA VAL A 99 19.679 -10.246 -3.420 1.00 0.00 H new ATOM 0 HB VAL A 99 18.267 -11.853 -2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 99 18.595 -11.499 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 99 20.035 -11.044 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 99 18.952 -9.782 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 99 16.336 -11.305 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.565 -9.578 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 99 16.120 -10.710 -2.693 1.00 0.00 H new ATOM 1531 N GLY A 100 16.719 -9.051 -4.184 1.00 0.00 N ATOM 1532 CA GLY A 100 15.782 -8.871 -5.280 1.00 0.00 C ATOM 1533 C GLY A 100 14.410 -8.436 -4.763 1.00 0.00 C ATOM 1534 O GLY A 100 14.308 -7.816 -3.706 1.00 0.00 O ATOM 0 H GLY A 100 16.451 -8.590 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 100 16.167 -8.123 -5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.686 -9.803 -5.837 1.00 0.00 H new ATOM 1538 N LYS A 101 13.387 -8.780 -5.533 1.00 0.00 N ATOM 1539 CA LYS A 101 12.025 -8.433 -5.166 1.00 0.00 C ATOM 1540 C LYS A 101 11.314 -9.677 -4.628 1.00 0.00 C ATOM 1541 O LYS A 101 11.643 -10.798 -5.010 1.00 0.00 O ATOM 1542 CB LYS A 101 11.304 -7.774 -6.343 1.00 0.00 C ATOM 1543 CG LYS A 101 9.802 -7.663 -6.074 1.00 0.00 C ATOM 1544 CD LYS A 101 9.035 -7.362 -7.363 1.00 0.00 C ATOM 1545 CE LYS A 101 9.497 -6.040 -7.980 1.00 0.00 C ATOM 1546 NZ LYS A 101 9.910 -6.242 -9.387 1.00 0.00 N ATOM 0 H LYS A 101 13.475 -9.295 -6.409 1.00 0.00 H new ATOM 0 HA LYS A 101 12.023 -7.693 -4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.720 -6.782 -6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.473 -8.356 -7.249 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.437 -8.593 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.617 -6.875 -5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 101 9.184 -8.172 -8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.967 -7.315 -7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.691 -5.308 -7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.329 -5.635 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.221 -5.336 -9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.694 -6.924 -9.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.106 -6.608 -9.936 1.00 0.00 H new ATOM 1560 N GLY A 102 10.353 -9.436 -3.748 1.00 0.00 N ATOM 1561 CA GLY A 102 9.592 -10.522 -3.154 1.00 0.00 C ATOM 1562 C GLY A 102 8.154 -10.534 -3.675 1.00 0.00 C ATOM 1563 O GLY A 102 7.867 -9.970 -4.730 1.00 0.00 O ATOM 0 H GLY A 102 10.084 -8.504 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.072 -11.474 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.588 -10.417 -2.069 1.00 0.00 H new ATOM 1567 N GLN A 103 7.287 -11.184 -2.912 1.00 0.00 N ATOM 1568 CA GLN A 103 5.886 -11.277 -3.284 1.00 0.00 C ATOM 1569 C GLN A 103 5.136 -10.016 -2.848 1.00 0.00 C ATOM 1570 O GLN A 103 5.684 -9.180 -2.132 1.00 0.00 O ATOM 1571 CB GLN A 103 5.243 -12.531 -2.688 1.00 0.00 C ATOM 1572 CG GLN A 103 4.805 -13.498 -3.790 1.00 0.00 C ATOM 1573 CD GLN A 103 4.742 -14.934 -3.265 1.00 0.00 C ATOM 1574 OE1 GLN A 103 5.568 -15.775 -3.581 1.00 0.00 O ATOM 1575 NE2 GLN A 103 3.718 -15.167 -2.449 1.00 0.00 N ATOM 0 H GLN A 103 7.528 -11.651 -2.038 1.00 0.00 H new ATOM 0 HA GLN A 103 5.823 -11.357 -4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.951 -13.027 -2.024 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.382 -12.250 -2.082 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.827 -13.203 -4.171 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.502 -13.443 -4.626 1.00 0.00 H new ATOM 0 HE21 GLN A 103 3.063 -14.418 -2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.588 -16.095 -2.046 1.00 0.00 H new ATOM 1584 N PHE A 104 3.894 -9.920 -3.298 1.00 0.00 N ATOM 1585 CA PHE A 104 3.063 -8.776 -2.963 1.00 0.00 C ATOM 1586 C PHE A 104 1.991 -9.157 -1.941 1.00 0.00 C ATOM 1587 O PHE A 104 1.860 -10.326 -1.579 1.00 0.00 O ATOM 1588 CB PHE A 104 2.381 -8.325 -4.256 1.00 0.00 C ATOM 1589 CG PHE A 104 3.335 -7.707 -5.281 1.00 0.00 C ATOM 1590 CD1 PHE A 104 4.352 -8.449 -5.796 1.00 0.00 C ATOM 1591 CD2 PHE A 104 3.166 -6.417 -5.676 1.00 0.00 C ATOM 1592 CE1 PHE A 104 5.237 -7.876 -6.747 1.00 0.00 C ATOM 1593 CE2 PHE A 104 4.052 -5.844 -6.626 1.00 0.00 C ATOM 1594 CZ PHE A 104 5.069 -6.585 -7.142 1.00 0.00 C ATOM 0 H PHE A 104 3.443 -10.616 -3.892 1.00 0.00 H new ATOM 0 HA PHE A 104 3.676 -7.986 -2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 104 1.882 -9.182 -4.709 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.606 -7.598 -4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.486 -9.473 -5.482 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.358 -5.828 -5.267 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.044 -8.465 -7.157 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.918 -4.819 -6.939 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.743 -6.149 -7.865 1.00 0.00 H new ATOM 1604 N SER A 105 1.250 -8.149 -1.504 1.00 0.00 N ATOM 1605 CA SER A 105 0.193 -8.364 -0.531 1.00 0.00 C ATOM 1606 C SER A 105 -1.167 -8.390 -1.232 1.00 0.00 C ATOM 1607 O SER A 105 -1.355 -7.730 -2.253 1.00 0.00 O ATOM 1608 CB SER A 105 0.212 -7.283 0.551 1.00 0.00 C ATOM 1609 OG SER A 105 0.279 -5.972 -0.005 1.00 0.00 O ATOM 0 H SER A 105 1.361 -7.181 -1.806 1.00 0.00 H new ATOM 0 HA SER A 105 0.364 -9.326 -0.048 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.683 -7.370 1.167 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.067 -7.442 1.208 1.00 0.00 H new ATOM 0 HG SER A 105 -0.028 -5.319 0.659 1.00 0.00 H new ATOM 1615 N LYS A 106 -2.080 -9.157 -0.655 1.00 0.00 N ATOM 1616 CA LYS A 106 -3.417 -9.277 -1.212 1.00 0.00 C ATOM 1617 C LYS A 106 -4.024 -7.882 -1.376 1.00 0.00 C ATOM 1618 O LYS A 106 -3.580 -6.930 -0.736 1.00 0.00 O ATOM 1619 CB LYS A 106 -4.269 -10.222 -0.362 1.00 0.00 C ATOM 1620 CG LYS A 106 -3.949 -11.684 -0.681 1.00 0.00 C ATOM 1621 CD LYS A 106 -4.160 -11.980 -2.167 1.00 0.00 C ATOM 1622 CE LYS A 106 -4.960 -13.270 -2.361 1.00 0.00 C ATOM 1623 NZ LYS A 106 -4.874 -13.727 -3.766 1.00 0.00 N ATOM 0 H LYS A 106 -1.921 -9.702 0.193 1.00 0.00 H new ATOM 0 HA LYS A 106 -3.377 -9.726 -2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.088 -10.029 0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -5.326 -10.029 -0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.917 -11.902 -0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.584 -12.338 -0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -4.685 -11.148 -2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -3.194 -12.068 -2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.578 -14.045 -1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.002 -13.103 -2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.422 -14.603 -3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -5.259 -12.993 -4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.880 -13.906 -4.013 1.00 0.00 H new ATOM 1637 N ASP A 107 -5.029 -7.806 -2.235 1.00 0.00 N ATOM 1638 CA ASP A 107 -5.701 -6.543 -2.491 1.00 0.00 C ATOM 1639 C ASP A 107 -6.499 -6.135 -1.251 1.00 0.00 C ATOM 1640 O ASP A 107 -7.474 -6.793 -0.891 1.00 0.00 O ATOM 1641 CB ASP A 107 -6.678 -6.666 -3.662 1.00 0.00 C ATOM 1642 CG ASP A 107 -7.626 -7.865 -3.590 1.00 0.00 C ATOM 1643 OD1 ASP A 107 -7.194 -8.957 -4.017 1.00 0.00 O ATOM 1644 OD2 ASP A 107 -8.762 -7.661 -3.109 1.00 0.00 O ATOM 0 H ASP A 107 -5.395 -8.598 -2.763 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.941 -5.800 -2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.273 -5.754 -3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.106 -6.729 -4.588 1.00 0.00 H new ATOM 1649 N THR A 108 -6.055 -5.051 -0.631 1.00 0.00 N ATOM 1650 CA THR A 108 -6.716 -4.548 0.561 1.00 0.00 C ATOM 1651 C THR A 108 -8.230 -4.494 0.349 1.00 0.00 C ATOM 1652 O THR A 108 -8.716 -4.748 -0.752 1.00 0.00 O ATOM 1653 CB THR A 108 -6.101 -3.189 0.904 1.00 0.00 C ATOM 1654 OG1 THR A 108 -6.119 -2.479 -0.332 1.00 0.00 O ATOM 1655 CG2 THR A 108 -4.615 -3.290 1.254 1.00 0.00 C ATOM 0 H THR A 108 -5.246 -4.508 -0.932 1.00 0.00 H new ATOM 0 HA THR A 108 -6.562 -5.214 1.410 1.00 0.00 H new ATOM 0 HB THR A 108 -6.641 -2.747 1.741 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.781 -1.758 -0.285 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.228 -2.298 1.489 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.488 -3.943 2.117 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.068 -3.701 0.405 1.00 0.00 H new ATOM 1663 N GLU A 109 -8.934 -4.161 1.421 1.00 0.00 N ATOM 1664 CA GLU A 109 -10.383 -4.070 1.367 1.00 0.00 C ATOM 1665 C GLU A 109 -10.809 -2.936 0.433 1.00 0.00 C ATOM 1666 O GLU A 109 -10.378 -1.795 0.599 1.00 0.00 O ATOM 1667 CB GLU A 109 -10.973 -3.881 2.765 1.00 0.00 C ATOM 1668 CG GLU A 109 -12.132 -2.882 2.740 1.00 0.00 C ATOM 1669 CD GLU A 109 -12.989 -3.005 4.003 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -13.086 -4.141 4.515 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -13.527 -1.959 4.427 1.00 0.00 O ATOM 0 H GLU A 109 -8.527 -3.951 2.333 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.772 -5.007 0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.322 -4.839 3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.198 -3.528 3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.741 -1.868 2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.749 -3.057 1.859 1.00 0.00 H new ATOM 1678 N ARG A 110 -11.650 -3.287 -0.528 1.00 0.00 N ATOM 1679 CA ARG A 110 -12.139 -2.313 -1.488 1.00 0.00 C ATOM 1680 C ARG A 110 -12.301 -0.946 -0.821 1.00 0.00 C ATOM 1681 O ARG A 110 -13.317 -0.680 -0.180 1.00 0.00 O ATOM 1682 CB ARG A 110 -13.482 -2.747 -2.079 1.00 0.00 C ATOM 1683 CG ARG A 110 -13.526 -2.492 -3.587 1.00 0.00 C ATOM 1684 CD ARG A 110 -14.968 -2.486 -4.100 1.00 0.00 C ATOM 1685 NE ARG A 110 -14.978 -2.434 -5.579 1.00 0.00 N ATOM 1686 CZ ARG A 110 -16.086 -2.538 -6.326 1.00 0.00 C ATOM 1687 NH1 ARG A 110 -17.279 -2.699 -5.737 1.00 0.00 N ATOM 1688 NH2 ARG A 110 -16.000 -2.480 -7.662 1.00 0.00 N ATOM 0 H ARG A 110 -12.006 -4.234 -0.662 1.00 0.00 H new ATOM 0 HA ARG A 110 -11.407 -2.244 -2.293 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -13.645 -3.806 -1.881 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -14.291 -2.203 -1.591 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -13.052 -1.536 -3.812 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.955 -3.261 -4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -15.489 -3.379 -3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -15.504 -1.628 -3.694 1.00 0.00 H new ATOM 0 HE ARG A 110 -14.087 -2.311 -6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -17.344 -2.742 -4.720 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -18.122 -2.778 -6.306 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -15.092 -2.357 -8.110 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -16.843 -2.559 -8.231 1.00 0.00 H new ATOM 1702 N VAL A 111 -11.285 -0.114 -0.994 1.00 0.00 N ATOM 1703 CA VAL A 111 -11.302 1.220 -0.417 1.00 0.00 C ATOM 1704 C VAL A 111 -11.978 2.185 -1.392 1.00 0.00 C ATOM 1705 O VAL A 111 -11.500 2.381 -2.509 1.00 0.00 O ATOM 1706 CB VAL A 111 -9.881 1.646 -0.042 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -9.880 3.026 0.620 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -9.216 0.604 0.860 1.00 0.00 C ATOM 0 H VAL A 111 -10.444 -0.338 -1.526 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.884 1.230 0.505 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.298 1.714 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -8.858 3.306 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.295 3.761 -0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.486 2.996 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.207 0.931 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.799 0.489 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.168 -0.352 0.338 1.00 0.00 H new ATOM 1718 N SER A 112 -13.080 2.762 -0.936 1.00 0.00 N ATOM 1719 CA SER A 112 -13.827 3.702 -1.755 1.00 0.00 C ATOM 1720 C SER A 112 -13.627 5.126 -1.232 1.00 0.00 C ATOM 1721 O SER A 112 -13.559 5.343 -0.023 1.00 0.00 O ATOM 1722 CB SER A 112 -15.315 3.350 -1.779 1.00 0.00 C ATOM 1723 OG SER A 112 -16.002 3.856 -0.638 1.00 0.00 O ATOM 0 H SER A 112 -13.474 2.597 -0.010 1.00 0.00 H new ATOM 0 HA SER A 112 -13.450 3.640 -2.776 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.769 3.754 -2.684 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.431 2.267 -1.821 1.00 0.00 H new ATOM 0 HG SER A 112 -16.950 3.612 -0.692 1.00 0.00 H new ATOM 1729 N LEU A 113 -13.537 6.059 -2.168 1.00 0.00 N ATOM 1730 CA LEU A 113 -13.346 7.456 -1.817 1.00 0.00 C ATOM 1731 C LEU A 113 -14.711 8.131 -1.667 1.00 0.00 C ATOM 1732 O LEU A 113 -15.700 7.673 -2.237 1.00 0.00 O ATOM 1733 CB LEU A 113 -12.428 8.142 -2.830 1.00 0.00 C ATOM 1734 CG LEU A 113 -11.216 8.874 -2.249 1.00 0.00 C ATOM 1735 CD1 LEU A 113 -9.925 8.100 -2.525 1.00 0.00 C ATOM 1736 CD2 LEU A 113 -11.144 10.312 -2.766 1.00 0.00 C ATOM 0 H LEU A 113 -13.593 5.875 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 113 -12.841 7.542 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -12.070 7.390 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -13.020 8.857 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.335 8.927 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -9.079 8.641 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -9.988 7.112 -2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -9.787 7.995 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -10.274 10.809 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -11.059 10.304 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -12.048 10.848 -2.476 1.00 0.00 H new ATOM 1748 N PRO A 114 -14.721 9.238 -0.877 1.00 0.00 N ATOM 1749 CA PRO A 114 -15.948 9.980 -0.645 1.00 0.00 C ATOM 1750 C PRO A 114 -16.327 10.811 -1.872 1.00 0.00 C ATOM 1751 O PRO A 114 -15.465 11.422 -2.503 1.00 0.00 O ATOM 1752 CB PRO A 114 -15.668 10.830 0.584 1.00 0.00 C ATOM 1753 CG PRO A 114 -14.154 10.882 0.718 1.00 0.00 C ATOM 1754 CD PRO A 114 -13.569 9.809 -0.185 1.00 0.00 C ATOM 0 HA PRO A 114 -16.806 9.330 -0.476 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -16.085 11.831 0.470 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -16.124 10.394 1.473 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -13.779 11.865 0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -13.856 10.714 1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -12.853 10.232 -0.890 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -13.039 9.052 0.392 1.00 0.00 H new ATOM 1762 N GLU A 115 -17.616 10.807 -2.175 1.00 0.00 N ATOM 1763 CA GLU A 115 -18.119 11.553 -3.317 1.00 0.00 C ATOM 1764 C GLU A 115 -17.840 13.047 -3.139 1.00 0.00 C ATOM 1765 O GLU A 115 -17.604 13.510 -2.024 1.00 0.00 O ATOM 1766 CB GLU A 115 -19.613 11.295 -3.525 1.00 0.00 C ATOM 1767 CG GLU A 115 -19.990 11.419 -5.003 1.00 0.00 C ATOM 1768 CD GLU A 115 -21.234 10.587 -5.322 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -22.289 10.894 -4.727 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -21.101 9.665 -6.155 1.00 0.00 O ATOM 0 H GLU A 115 -18.328 10.299 -1.650 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.597 11.210 -4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.868 10.299 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.194 12.006 -2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -20.174 12.465 -5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.157 11.088 -5.624 1.00 0.00 H new ATOM 1777 N SER A 116 -17.877 13.760 -4.255 1.00 0.00 N ATOM 1778 CA SER A 116 -17.631 15.192 -4.237 1.00 0.00 C ATOM 1779 C SER A 116 -18.698 15.917 -5.059 1.00 0.00 C ATOM 1780 O SER A 116 -18.608 15.977 -6.285 1.00 0.00 O ATOM 1781 CB SER A 116 -16.236 15.518 -4.772 1.00 0.00 C ATOM 1782 OG SER A 116 -16.059 16.916 -4.987 1.00 0.00 O ATOM 0 H SER A 116 -18.074 13.373 -5.178 1.00 0.00 H new ATOM 0 HA SER A 116 -17.683 15.535 -3.204 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.485 15.162 -4.067 1.00 0.00 H new ATOM 0 HB3 SER A 116 -16.073 14.984 -5.708 1.00 0.00 H new ATOM 0 HG SER A 116 -15.155 17.083 -5.327 1.00 0.00 H new ATOM 1788 N GLY A 117 -19.684 16.450 -4.353 1.00 0.00 N ATOM 1789 CA GLY A 117 -20.767 17.168 -5.002 1.00 0.00 C ATOM 1790 C GLY A 117 -21.498 18.073 -4.009 1.00 0.00 C ATOM 1791 O GLY A 117 -21.210 18.049 -2.813 1.00 0.00 O ATOM 0 H GLY A 117 -19.755 16.399 -3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -20.371 17.767 -5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -21.470 16.457 -5.437 1.00 0.00 H new ATOM 1795 N PRO A 118 -22.456 18.870 -4.554 1.00 0.00 N ATOM 1796 CA PRO A 118 -23.231 19.781 -3.729 1.00 0.00 C ATOM 1797 C PRO A 118 -24.278 19.024 -2.911 1.00 0.00 C ATOM 1798 O PRO A 118 -24.745 17.963 -3.323 1.00 0.00 O ATOM 1799 CB PRO A 118 -23.842 20.773 -4.705 1.00 0.00 C ATOM 1800 CG PRO A 118 -23.770 20.111 -6.072 1.00 0.00 C ATOM 1801 CD PRO A 118 -22.825 18.925 -5.966 1.00 0.00 C ATOM 0 HA PRO A 118 -22.622 20.297 -2.987 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -24.873 21.001 -4.435 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -23.294 21.715 -4.698 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -24.760 19.783 -6.390 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -23.413 20.818 -6.820 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -23.310 18.002 -6.285 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -21.948 19.059 -6.599 1.00 0.00 H new ATOM 1809 N SER A 119 -24.618 19.599 -1.766 1.00 0.00 N ATOM 1810 CA SER A 119 -25.602 18.991 -0.887 1.00 0.00 C ATOM 1811 C SER A 119 -26.850 19.873 -0.810 1.00 0.00 C ATOM 1812 O SER A 119 -26.918 20.788 0.009 1.00 0.00 O ATOM 1813 CB SER A 119 -25.025 18.764 0.512 1.00 0.00 C ATOM 1814 OG SER A 119 -25.925 18.044 1.350 1.00 0.00 O ATOM 0 H SER A 119 -24.229 20.479 -1.427 1.00 0.00 H new ATOM 0 HA SER A 119 -25.876 18.020 -1.299 1.00 0.00 H new ATOM 0 HB2 SER A 119 -24.086 18.216 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 119 -24.794 19.726 0.970 1.00 0.00 H new ATOM 0 HG SER A 119 -25.520 17.918 2.233 1.00 0.00 H new ATOM 1820 N SER A 120 -27.807 19.565 -1.673 1.00 0.00 N ATOM 1821 CA SER A 120 -29.049 20.318 -1.713 1.00 0.00 C ATOM 1822 C SER A 120 -29.969 19.871 -0.575 1.00 0.00 C ATOM 1823 O SER A 120 -30.624 18.834 -0.673 1.00 0.00 O ATOM 1824 CB SER A 120 -29.752 20.151 -3.061 1.00 0.00 C ATOM 1825 OG SER A 120 -30.100 18.793 -3.316 1.00 0.00 O ATOM 0 H SER A 120 -27.747 18.804 -2.350 1.00 0.00 H new ATOM 0 HA SER A 120 -28.812 21.374 -1.587 1.00 0.00 H new ATOM 0 HB2 SER A 120 -30.652 20.766 -3.079 1.00 0.00 H new ATOM 0 HB3 SER A 120 -29.102 20.514 -3.857 1.00 0.00 H new ATOM 0 HG SER A 120 -30.511 18.405 -2.516 1.00 0.00 H new ATOM 1831 N GLY A 121 -29.989 20.674 0.478 1.00 0.00 N ATOM 1832 CA GLY A 121 -30.818 20.374 1.633 1.00 0.00 C ATOM 1833 C GLY A 121 -31.466 21.644 2.189 1.00 0.00 C ATOM 1834 O GLY A 121 -32.179 21.594 3.190 1.00 0.00 O ATOM 0 H GLY A 121 -29.444 21.533 0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -31.592 19.659 1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -30.213 19.902 2.407 1.00 0.00 H new TER 1838 GLY A 121