USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 869 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 119 GLN : amide:sc= 0.0284 X(o=1.7,f=1.3) USER MOD Set 1.2: A 122 SER OG : rot -20:sc= 0.805 USER MOD Set 1.3: A 123 THR OG1 : rot 79:sc= 0.834 USER MOD Set 2.1: A 55 LYS NZ :NH3+ -120:sc= 0.347 (180deg=0) USER MOD Set 2.2: A 114 ASN :FLIP amide:sc= -2.66! C(o=-6.3!,f=-2.3!) USER MOD Set 3.1: A 61 CYS SG : rot -70:sc= -5.89! USER MOD Set 3.2: A 65 ASN : amide:sc= -1.24 K(o=-7.1,f=-12!) USER MOD Single : A 27 MET CE :methyl -161:sc= -0.169 (180deg=-0.756) USER MOD Single : A 29 GLN :FLIP amide:sc= -1.54! C(o=-4.4!,f=-1.5!) USER MOD Single : A 30 THR OG1 : rot -54:sc= -0.237 USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 42 THR OG1 : rot -100:sc= -0.115 USER MOD Single : A 49 ASN : amide:sc= -0.385 K(o=-0.39,f=-3.1) USER MOD Single : A 51 MET CE :methyl -168:sc= -2.99! (180deg=-3.17!) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= -0.0177 (180deg=-0.261) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.146 F(o=-4.5!,f=-0.15) USER MOD Single : A 71 SER OG : rot 65:sc= -3.57! USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.223 F(o=-1.4,f=-0.22) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.488 F(o=-2.9!,f=-0.49) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.166 F(o=-2.9!,f=-0.17) USER MOD Single : A 83 HIS : +bothHN:sc= -0.106 K(o=-0.11,f=-3.1!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0.309 K(o=0.31,f=-3.6!) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0435 F(o=-0.6,f=-0.044) USER MOD Single : A 96 LYS NZ :NH3+ -151:sc= -5.14! (180deg=-6.47!) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 167:sc= -0.0423 (180deg=-0.226) USER MOD Single : A 103 HIS : no HD1:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 109 ASN : amide:sc= -1.69 K(o=-1.7,f=-5!) USER MOD Single : A 115 THR OG1 : rot 180:sc= -1.94! USER MOD Single : A 116 ASN :FLIP amide:sc= -2.58 F(o=-7.6!,f=-2.6) USER MOD Single : A 117 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-3.5!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.0031) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -6.59! C(o=-6.6!,f=-6.2!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot 80:sc= 0.43 USER MOD Single : A 134 LYS NZ :NH3+ 171:sc= -0.35 (180deg=-0.438) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 27 -14.542 -10.558 -5.453 1.00 0.00 N ATOM 2 CA MET A 27 -15.908 -10.503 -6.039 1.00 0.00 C ATOM 3 C MET A 27 -15.986 -9.507 -7.200 1.00 0.00 C ATOM 4 O MET A 27 -16.502 -9.840 -8.267 1.00 0.00 O ATOM 5 CB MET A 27 -16.899 -10.118 -4.936 1.00 0.00 C ATOM 6 CG MET A 27 -18.341 -10.039 -5.413 1.00 0.00 C ATOM 7 SD MET A 27 -19.485 -9.582 -4.097 1.00 0.00 S ATOM 8 CE MET A 27 -19.240 -10.935 -2.948 1.00 0.00 C ATOM 0 HA MET A 27 -16.158 -11.484 -6.443 1.00 0.00 H new ATOM 0 HB2 MET A 27 -16.832 -10.847 -4.128 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.609 -9.153 -4.520 1.00 0.00 H new ATOM 0 HG2 MET A 27 -18.413 -9.310 -6.221 1.00 0.00 H new ATOM 0 HG3 MET A 27 -18.636 -11.003 -5.827 1.00 0.00 H new ATOM 0 HE1 MET A 27 -20.087 -10.990 -2.264 1.00 0.00 H new ATOM 0 HE2 MET A 27 -19.158 -11.871 -3.500 1.00 0.00 H new ATOM 0 HE3 MET A 27 -18.325 -10.768 -2.379 1.00 0.00 H new ATOM 20 N PRO A 28 -15.479 -8.268 -7.019 1.00 0.00 N ATOM 21 CA PRO A 28 -15.509 -7.248 -8.074 1.00 0.00 C ATOM 22 C PRO A 28 -14.589 -7.597 -9.244 1.00 0.00 C ATOM 23 O PRO A 28 -14.525 -8.750 -9.670 1.00 0.00 O ATOM 24 CB PRO A 28 -15.025 -5.981 -7.362 1.00 0.00 C ATOM 25 CG PRO A 28 -14.203 -6.475 -6.224 1.00 0.00 C ATOM 26 CD PRO A 28 -14.841 -7.763 -5.785 1.00 0.00 C ATOM 0 HA PRO A 28 -16.500 -7.146 -8.516 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -14.438 -5.352 -8.030 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.864 -5.379 -7.012 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.169 -6.635 -6.529 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.186 -5.750 -5.410 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.103 -8.465 -5.398 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -15.572 -7.600 -4.993 1.00 0.00 H new ATOM 34 N GLN A 29 -13.878 -6.595 -9.758 1.00 0.00 N ATOM 35 CA GLN A 29 -12.965 -6.798 -10.878 1.00 0.00 C ATOM 36 C GLN A 29 -12.159 -5.532 -11.151 1.00 0.00 C ATOM 37 O GLN A 29 -12.723 -4.449 -11.312 1.00 0.00 O ATOM 38 CB GLN A 29 -13.747 -7.197 -12.132 1.00 0.00 C ATOM 39 CG GLN A 29 -12.870 -7.440 -13.351 1.00 0.00 C ATOM 40 CD GLN A 29 -11.892 -8.581 -13.150 1.00 0.00 C ATOM 41 OE1 GLN A 29 -10.604 -8.283 -13.265 1.00 0.00 O flip ATOM 42 NE2 GLN A 29 -12.291 -9.717 -12.895 1.00 0.00 N flip ATOM 0 H GLN A 29 -13.918 -5.635 -9.416 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.276 -7.601 -10.617 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.318 -8.101 -11.921 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.467 -6.413 -12.365 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.503 -7.657 -14.211 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.317 -6.530 -13.583 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.291 -9.900 -12.816 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.621 -10.475 -12.763 1.00 0.00 H new ATOM 51 N THR A 30 -10.835 -5.675 -11.203 1.00 0.00 N ATOM 52 CA THR A 30 -9.950 -4.543 -11.457 1.00 0.00 C ATOM 53 C THR A 30 -8.485 -4.976 -11.470 1.00 0.00 C ATOM 54 O THR A 30 -7.623 -4.310 -10.895 1.00 0.00 O ATOM 55 CB THR A 30 -10.142 -3.433 -10.402 1.00 0.00 C ATOM 56 OG1 THR A 30 -9.253 -2.341 -10.667 1.00 0.00 O ATOM 57 CG2 THR A 30 -9.894 -3.968 -8.999 1.00 0.00 C ATOM 0 H THR A 30 -10.353 -6.565 -11.072 1.00 0.00 H new ATOM 0 HA THR A 30 -10.214 -4.150 -12.439 1.00 0.00 H new ATOM 0 HB THR A 30 -11.172 -3.083 -10.463 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.334 -2.675 -10.729 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.036 -3.167 -8.274 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.595 -4.776 -8.789 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.874 -4.345 -8.928 1.00 0.00 H new ATOM 65 N GLU A 31 -8.205 -6.095 -12.133 1.00 0.00 N ATOM 66 CA GLU A 31 -6.842 -6.607 -12.219 1.00 0.00 C ATOM 67 C GLU A 31 -5.930 -5.597 -12.908 1.00 0.00 C ATOM 68 O GLU A 31 -4.898 -5.203 -12.363 1.00 0.00 O ATOM 69 CB GLU A 31 -6.816 -7.931 -12.988 1.00 0.00 C ATOM 70 CG GLU A 31 -7.669 -9.023 -12.360 1.00 0.00 C ATOM 71 CD GLU A 31 -7.220 -9.381 -10.959 1.00 0.00 C ATOM 72 OE1 GLU A 31 -6.050 -9.786 -10.793 1.00 0.00 O ATOM 73 OE2 GLU A 31 -8.041 -9.261 -10.025 1.00 0.00 O ATOM 0 H GLU A 31 -8.901 -6.662 -12.617 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.480 -6.775 -11.205 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.160 -7.755 -14.007 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.786 -8.281 -13.055 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.708 -8.696 -12.332 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.632 -9.913 -12.988 1.00 0.00 H new ATOM 80 N ARG A 32 -6.323 -5.181 -14.107 1.00 0.00 N ATOM 81 CA ARG A 32 -5.551 -4.214 -14.879 1.00 0.00 C ATOM 82 C ARG A 32 -5.832 -2.794 -14.405 1.00 0.00 C ATOM 83 O ARG A 32 -4.914 -1.993 -14.229 1.00 0.00 O ATOM 84 CB ARG A 32 -5.894 -4.333 -16.361 1.00 0.00 C ATOM 85 CG ARG A 32 -5.070 -3.419 -17.254 1.00 0.00 C ATOM 86 CD ARG A 32 -5.445 -3.582 -18.717 1.00 0.00 C ATOM 87 NE ARG A 32 -4.658 -2.711 -19.585 1.00 0.00 N ATOM 88 CZ ARG A 32 -4.796 -2.665 -20.907 1.00 0.00 C ATOM 89 NH1 ARG A 32 -5.689 -3.438 -21.510 1.00 0.00 N ATOM 90 NH2 ARG A 32 -4.041 -1.846 -21.626 1.00 0.00 N ATOM 0 H ARG A 32 -7.176 -5.500 -14.567 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.493 -4.430 -14.732 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.746 -5.365 -16.677 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.951 -4.106 -16.500 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.220 -2.382 -16.952 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.011 -3.639 -17.122 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.297 -4.620 -19.015 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.504 -3.361 -18.846 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.962 -2.103 -19.153 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.271 -4.069 -20.960 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.793 -3.401 -22.524 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.353 -1.250 -21.165 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.148 -1.812 -22.640 1.00 0.00 H new ATOM 104 N GLN A 33 -7.110 -2.490 -14.205 1.00 0.00 N ATOM 105 CA GLN A 33 -7.528 -1.167 -13.756 1.00 0.00 C ATOM 106 C GLN A 33 -6.833 -0.783 -12.453 1.00 0.00 C ATOM 107 O GLN A 33 -6.881 0.373 -12.033 1.00 0.00 O ATOM 108 CB GLN A 33 -9.046 -1.125 -13.568 1.00 0.00 C ATOM 109 CG GLN A 33 -9.825 -1.428 -14.838 1.00 0.00 C ATOM 110 CD GLN A 33 -11.330 -1.376 -14.639 1.00 0.00 C ATOM 111 OE1 GLN A 33 -11.766 -1.081 -13.417 1.00 0.00 O flip ATOM 112 NE2 GLN A 33 -12.095 -1.601 -15.576 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.878 -3.146 -14.348 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.242 -0.447 -14.523 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.328 -1.843 -12.798 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.331 -0.138 -13.203 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.542 -0.713 -15.611 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.546 -2.417 -15.201 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.720 -1.824 -16.498 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.104 -1.565 -15.431 1.00 0.00 H new ATOM 121 N LEU A 34 -6.194 -1.758 -11.816 1.00 0.00 N ATOM 122 CA LEU A 34 -5.496 -1.520 -10.560 1.00 0.00 C ATOM 123 C LEU A 34 -4.367 -0.512 -10.746 1.00 0.00 C ATOM 124 O LEU A 34 -4.247 0.445 -9.982 1.00 0.00 O ATOM 125 CB LEU A 34 -4.930 -2.834 -10.017 1.00 0.00 C ATOM 126 CG LEU A 34 -4.270 -2.737 -8.647 1.00 0.00 C ATOM 127 CD1 LEU A 34 -5.270 -2.268 -7.606 1.00 0.00 C ATOM 128 CD2 LEU A 34 -3.674 -4.078 -8.245 1.00 0.00 C ATOM 0 H LEU A 34 -6.145 -2.721 -12.150 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.211 -1.111 -9.846 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.737 -3.564 -9.963 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.199 -3.218 -10.729 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.464 -2.005 -8.706 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.781 -2.205 -6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.652 -1.286 -7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.097 -2.976 -7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.207 -3.989 -7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.463 -4.829 -8.205 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.925 -4.377 -8.978 1.00 0.00 H new ATOM 140 N ARG A 35 -3.539 -0.735 -11.764 1.00 0.00 N ATOM 141 CA ARG A 35 -2.419 0.157 -12.041 1.00 0.00 C ATOM 142 C ARG A 35 -2.912 1.544 -12.441 1.00 0.00 C ATOM 143 O ARG A 35 -2.431 2.552 -11.928 1.00 0.00 O ATOM 144 CB ARG A 35 -1.522 -0.426 -13.138 1.00 0.00 C ATOM 145 CG ARG A 35 -2.240 -0.667 -14.457 1.00 0.00 C ATOM 146 CD ARG A 35 -1.301 -1.242 -15.505 1.00 0.00 C ATOM 147 NE ARG A 35 -0.726 -2.517 -15.084 1.00 0.00 N ATOM 148 CZ ARG A 35 0.122 -3.224 -15.824 1.00 0.00 C ATOM 149 NH1 ARG A 35 0.491 -2.784 -17.020 1.00 0.00 N ATOM 150 NH2 ARG A 35 0.602 -4.374 -15.370 1.00 0.00 N ATOM 0 H ARG A 35 -3.623 -1.522 -12.407 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.833 0.253 -11.127 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.686 0.252 -13.309 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.101 -1.368 -12.787 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.074 -1.351 -14.299 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.662 0.270 -14.820 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.843 -1.380 -16.441 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.499 -0.530 -15.703 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.990 -2.886 -14.170 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.124 -1.901 -17.374 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.142 -3.329 -17.585 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.320 -4.717 -14.452 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.253 -4.915 -15.939 1.00 0.00 H new ATOM 164 N VAL A 36 -3.880 1.591 -13.350 1.00 0.00 N ATOM 165 CA VAL A 36 -4.435 2.862 -13.804 1.00 0.00 C ATOM 166 C VAL A 36 -5.008 3.651 -12.631 1.00 0.00 C ATOM 167 O VAL A 36 -4.854 4.870 -12.552 1.00 0.00 O ATOM 168 CB VAL A 36 -5.540 2.647 -14.857 1.00 0.00 C ATOM 169 CG1 VAL A 36 -6.130 3.979 -15.298 1.00 0.00 C ATOM 170 CG2 VAL A 36 -4.997 1.877 -16.052 1.00 0.00 C ATOM 0 H VAL A 36 -4.295 0.768 -13.786 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.620 3.426 -14.258 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.336 2.057 -14.402 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.908 3.804 -16.041 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.560 4.490 -14.436 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.345 4.598 -15.733 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.791 1.735 -16.785 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.181 2.439 -16.506 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.629 0.905 -15.722 1.00 0.00 H new ATOM 180 N TRP A 37 -5.667 2.941 -11.723 1.00 0.00 N ATOM 181 CA TRP A 37 -6.270 3.558 -10.546 1.00 0.00 C ATOM 182 C TRP A 37 -5.208 4.131 -9.607 1.00 0.00 C ATOM 183 O TRP A 37 -5.148 5.341 -9.391 1.00 0.00 O ATOM 184 CB TRP A 37 -7.149 2.517 -9.818 1.00 0.00 C ATOM 185 CG TRP A 37 -7.207 2.656 -8.317 1.00 0.00 C ATOM 186 CD1 TRP A 37 -7.074 3.798 -7.576 1.00 0.00 C ATOM 187 CD2 TRP A 37 -7.436 1.599 -7.376 1.00 0.00 C ATOM 188 NE1 TRP A 37 -7.153 3.506 -6.240 1.00 0.00 N ATOM 189 CE2 TRP A 37 -7.392 2.168 -6.089 1.00 0.00 C ATOM 190 CE3 TRP A 37 -7.662 0.226 -7.496 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -7.568 1.412 -4.934 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -7.840 -0.523 -6.348 1.00 0.00 C ATOM 193 CH2 TRP A 37 -7.793 0.072 -5.081 1.00 0.00 C ATOM 0 H TRP A 37 -5.798 1.931 -11.780 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.893 4.392 -10.868 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -8.163 2.584 -10.212 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.778 1.521 -10.060 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -6.928 4.787 -7.985 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.050 4.178 -5.480 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -7.697 -0.242 -8.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -7.528 1.868 -3.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -8.018 -1.585 -6.429 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.937 -0.540 -4.203 1.00 0.00 H new ATOM 204 N ILE A 38 -4.400 3.253 -9.028 1.00 0.00 N ATOM 205 CA ILE A 38 -3.368 3.658 -8.082 1.00 0.00 C ATOM 206 C ILE A 38 -2.399 4.677 -8.683 1.00 0.00 C ATOM 207 O ILE A 38 -2.147 5.726 -8.089 1.00 0.00 O ATOM 208 CB ILE A 38 -2.585 2.431 -7.586 1.00 0.00 C ATOM 209 CG1 ILE A 38 -3.526 1.455 -6.874 1.00 0.00 C ATOM 210 CG2 ILE A 38 -1.449 2.853 -6.664 1.00 0.00 C ATOM 211 CD1 ILE A 38 -2.935 0.074 -6.685 1.00 0.00 C ATOM 0 H ILE A 38 -4.440 2.248 -9.199 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.875 4.135 -7.243 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.150 1.926 -8.448 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.791 1.864 -5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.450 1.371 -7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.908 1.969 -6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.767 3.510 -7.204 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.857 3.382 -5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.657 -0.564 -6.174 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.696 -0.356 -7.658 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.027 0.146 -6.087 1.00 0.00 H new ATOM 223 N GLU A 39 -1.856 4.368 -9.857 1.00 0.00 N ATOM 224 CA GLU A 39 -0.916 5.268 -10.523 1.00 0.00 C ATOM 225 C GLU A 39 -1.572 6.608 -10.836 1.00 0.00 C ATOM 226 O GLU A 39 -1.011 7.667 -10.555 1.00 0.00 O ATOM 227 CB GLU A 39 -0.394 4.635 -11.814 1.00 0.00 C ATOM 228 CG GLU A 39 0.391 3.352 -11.596 1.00 0.00 C ATOM 229 CD GLU A 39 0.716 2.642 -12.896 1.00 0.00 C ATOM 230 OE1 GLU A 39 -0.229 2.309 -13.642 1.00 0.00 O ATOM 231 OE2 GLU A 39 1.913 2.418 -13.169 1.00 0.00 O ATOM 0 H GLU A 39 -2.049 3.505 -10.366 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.080 5.440 -9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.238 4.426 -12.472 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.241 5.355 -12.329 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.318 3.582 -11.070 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.183 2.683 -10.954 1.00 0.00 H new ATOM 238 N GLY A 40 -2.763 6.552 -11.421 1.00 0.00 N ATOM 239 CA GLY A 40 -3.482 7.764 -11.768 1.00 0.00 C ATOM 240 C GLY A 40 -3.848 8.597 -10.555 1.00 0.00 C ATOM 241 O GLY A 40 -3.886 9.825 -10.626 1.00 0.00 O ATOM 0 H GLY A 40 -3.245 5.686 -11.662 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.871 8.363 -12.443 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.390 7.500 -12.309 1.00 0.00 H new ATOM 245 N ALA A 41 -4.129 7.925 -9.442 1.00 0.00 N ATOM 246 CA ALA A 41 -4.505 8.606 -8.209 1.00 0.00 C ATOM 247 C ALA A 41 -3.469 9.651 -7.810 1.00 0.00 C ATOM 248 O ALA A 41 -3.763 10.845 -7.766 1.00 0.00 O ATOM 249 CB ALA A 41 -4.686 7.592 -7.089 1.00 0.00 C ATOM 0 H ALA A 41 -4.103 6.908 -9.370 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.449 9.123 -8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.967 8.109 -6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.470 6.885 -7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.751 7.054 -6.931 1.00 0.00 H new ATOM 255 N THR A 42 -2.254 9.195 -7.523 1.00 0.00 N ATOM 256 CA THR A 42 -1.175 10.093 -7.132 1.00 0.00 C ATOM 257 C THR A 42 -0.481 10.681 -8.353 1.00 0.00 C ATOM 258 O THR A 42 -0.469 11.896 -8.554 1.00 0.00 O ATOM 259 CB THR A 42 -0.130 9.362 -6.267 1.00 0.00 C ATOM 260 OG1 THR A 42 0.392 8.233 -6.980 1.00 0.00 O ATOM 261 CG2 THR A 42 -0.744 8.899 -4.955 1.00 0.00 C ATOM 0 H THR A 42 -1.993 8.210 -7.554 1.00 0.00 H new ATOM 0 HA THR A 42 -1.625 10.898 -6.551 1.00 0.00 H new ATOM 0 HB THR A 42 0.679 10.058 -6.046 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.049 7.416 -6.667 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.012 8.386 -4.361 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.115 9.762 -4.403 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.569 8.217 -5.160 1.00 0.00 H new ATOM 269 N GLY A 43 0.103 9.805 -9.161 1.00 0.00 N ATOM 270 CA GLY A 43 0.805 10.230 -10.353 1.00 0.00 C ATOM 271 C GLY A 43 1.914 9.266 -10.704 1.00 0.00 C ATOM 272 O GLY A 43 2.232 9.060 -11.875 1.00 0.00 O ATOM 0 H GLY A 43 0.101 8.797 -9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.105 10.302 -11.185 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.220 11.226 -10.199 1.00 0.00 H new ATOM 276 N ARG A 44 2.503 8.680 -9.668 1.00 0.00 N ATOM 277 CA ARG A 44 3.591 7.728 -9.830 1.00 0.00 C ATOM 278 C ARG A 44 3.115 6.472 -10.552 1.00 0.00 C ATOM 279 O ARG A 44 2.084 5.899 -10.202 1.00 0.00 O ATOM 280 CB ARG A 44 4.152 7.347 -8.462 1.00 0.00 C ATOM 281 CG ARG A 44 4.324 8.527 -7.521 1.00 0.00 C ATOM 282 CD ARG A 44 5.200 9.599 -8.138 1.00 0.00 C ATOM 283 NE ARG A 44 5.321 10.773 -7.279 1.00 0.00 N ATOM 284 CZ ARG A 44 6.035 11.849 -7.595 1.00 0.00 C ATOM 285 NH1 ARG A 44 6.693 11.898 -8.746 1.00 0.00 N ATOM 286 NH2 ARG A 44 6.094 12.878 -6.761 1.00 0.00 N ATOM 0 H ARG A 44 2.240 8.851 -8.697 1.00 0.00 H new ATOM 0 HA ARG A 44 4.370 8.199 -10.430 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.489 6.617 -7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.117 6.859 -8.598 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.348 8.947 -7.278 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.766 8.187 -6.585 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.191 9.189 -8.332 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.784 9.896 -9.101 1.00 0.00 H new ATOM 0 HE ARG A 44 4.830 10.767 -6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.652 11.109 -9.391 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.240 12.725 -8.986 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.591 12.845 -5.874 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.643 13.702 -7.006 1.00 0.00 H new ATOM 300 N ARG A 45 3.873 6.045 -11.555 1.00 0.00 N ATOM 301 CA ARG A 45 3.526 4.851 -12.315 1.00 0.00 C ATOM 302 C ARG A 45 4.133 3.603 -11.678 1.00 0.00 C ATOM 303 O ARG A 45 4.361 2.601 -12.357 1.00 0.00 O ATOM 304 CB ARG A 45 4.010 4.988 -13.759 1.00 0.00 C ATOM 305 CG ARG A 45 3.421 6.185 -14.491 1.00 0.00 C ATOM 306 CD ARG A 45 1.910 6.081 -14.612 1.00 0.00 C ATOM 307 NE ARG A 45 1.500 4.895 -15.359 1.00 0.00 N ATOM 308 CZ ARG A 45 0.233 4.579 -15.605 1.00 0.00 C ATOM 309 NH1 ARG A 45 -0.747 5.358 -15.163 1.00 0.00 N ATOM 310 NH2 ARG A 45 -0.058 3.483 -16.292 1.00 0.00 N ATOM 0 H ARG A 45 4.730 6.507 -11.860 1.00 0.00 H new ATOM 0 HA ARG A 45 2.441 4.747 -12.309 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.097 5.070 -13.762 1.00 0.00 H new ATOM 0 HB3 ARG A 45 3.758 4.079 -14.305 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.682 7.101 -13.960 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.862 6.257 -15.485 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.468 6.053 -13.616 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.524 6.972 -15.107 1.00 0.00 H new ATOM 0 HE ARG A 45 2.228 4.274 -15.712 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.528 6.202 -14.633 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.719 5.113 -15.353 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.691 2.881 -16.633 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.031 3.242 -16.480 1.00 0.00 H new ATOM 324 N ILE A 46 4.382 3.672 -10.369 1.00 0.00 N ATOM 325 CA ILE A 46 4.960 2.554 -9.623 1.00 0.00 C ATOM 326 C ILE A 46 6.411 2.275 -10.031 1.00 0.00 C ATOM 327 O ILE A 46 7.220 1.843 -9.209 1.00 0.00 O ATOM 328 CB ILE A 46 4.109 1.279 -9.786 1.00 0.00 C ATOM 329 CG1 ILE A 46 2.784 1.434 -9.034 1.00 0.00 C ATOM 330 CG2 ILE A 46 4.868 0.053 -9.297 1.00 0.00 C ATOM 331 CD1 ILE A 46 1.843 0.263 -9.209 1.00 0.00 C ATOM 0 H ILE A 46 4.190 4.497 -9.801 1.00 0.00 H new ATOM 0 HA ILE A 46 4.961 2.846 -8.573 1.00 0.00 H new ATOM 0 HB ILE A 46 3.895 1.137 -10.845 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.993 1.565 -7.972 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.287 2.342 -9.376 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.247 -0.834 -9.422 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.785 -0.062 -9.875 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.117 0.176 -8.243 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.927 0.445 -8.647 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.603 0.144 -10.266 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.320 -0.645 -8.840 1.00 0.00 H new ATOM 343 N GLY A 47 6.739 2.528 -11.295 1.00 0.00 N ATOM 344 CA GLY A 47 8.089 2.300 -11.775 1.00 0.00 C ATOM 345 C GLY A 47 8.323 0.872 -12.231 1.00 0.00 C ATOM 346 O GLY A 47 7.472 0.275 -12.891 1.00 0.00 O ATOM 0 H GLY A 47 6.091 2.888 -11.996 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.293 2.978 -12.603 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.796 2.543 -10.982 1.00 0.00 H new ATOM 350 N ASP A 48 9.487 0.331 -11.886 1.00 0.00 N ATOM 351 CA ASP A 48 9.851 -1.029 -12.270 1.00 0.00 C ATOM 352 C ASP A 48 8.950 -2.066 -11.602 1.00 0.00 C ATOM 353 O ASP A 48 8.554 -1.911 -10.447 1.00 0.00 O ATOM 354 CB ASP A 48 11.312 -1.305 -11.911 1.00 0.00 C ATOM 355 CG ASP A 48 12.268 -0.362 -12.614 1.00 0.00 C ATOM 356 OD1 ASP A 48 12.283 -0.355 -13.863 1.00 0.00 O ATOM 357 OD2 ASP A 48 13.004 0.368 -11.917 1.00 0.00 O ATOM 0 H ASP A 48 10.198 0.816 -11.338 1.00 0.00 H new ATOM 0 HA ASP A 48 9.717 -1.113 -13.349 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.442 -1.213 -10.833 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.560 -2.333 -12.175 1.00 0.00 H new ATOM 362 N ASN A 49 8.646 -3.129 -12.343 1.00 0.00 N ATOM 363 CA ASN A 49 7.807 -4.214 -11.844 1.00 0.00 C ATOM 364 C ASN A 49 6.403 -3.726 -11.487 1.00 0.00 C ATOM 365 O ASN A 49 5.793 -2.962 -12.235 1.00 0.00 O ATOM 366 CB ASN A 49 8.469 -4.871 -10.629 1.00 0.00 C ATOM 367 CG ASN A 49 9.834 -5.446 -10.954 1.00 0.00 C ATOM 368 OD1 ASN A 49 10.743 -4.724 -11.364 1.00 0.00 O ATOM 369 ND2 ASN A 49 9.984 -6.754 -10.774 1.00 0.00 N ATOM 0 H ASN A 49 8.972 -3.262 -13.300 1.00 0.00 H new ATOM 0 HA ASN A 49 7.704 -4.951 -12.640 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.568 -4.135 -9.831 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.824 -5.665 -10.252 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.880 -7.197 -10.978 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.203 -7.315 -10.432 1.00 0.00 H new ATOM 376 N PHE A 50 5.890 -4.183 -10.345 1.00 0.00 N ATOM 377 CA PHE A 50 4.554 -3.808 -9.893 1.00 0.00 C ATOM 378 C PHE A 50 4.411 -4.071 -8.397 1.00 0.00 C ATOM 379 O PHE A 50 3.964 -3.208 -7.641 1.00 0.00 O ATOM 380 CB PHE A 50 3.503 -4.605 -10.673 1.00 0.00 C ATOM 381 CG PHE A 50 2.079 -4.270 -10.323 1.00 0.00 C ATOM 382 CD1 PHE A 50 1.635 -2.957 -10.324 1.00 0.00 C ATOM 383 CD2 PHE A 50 1.180 -5.275 -10.001 1.00 0.00 C ATOM 384 CE1 PHE A 50 0.323 -2.654 -10.011 1.00 0.00 C ATOM 385 CE2 PHE A 50 -0.133 -4.977 -9.685 1.00 0.00 C ATOM 386 CZ PHE A 50 -0.562 -3.665 -9.690 1.00 0.00 C ATOM 0 H PHE A 50 6.383 -4.816 -9.715 1.00 0.00 H new ATOM 0 HA PHE A 50 4.402 -2.744 -10.074 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.652 -4.432 -11.739 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.667 -5.668 -10.496 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.322 -2.161 -10.572 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.509 -6.304 -9.997 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.010 -1.627 -10.017 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.822 -5.770 -9.435 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.587 -3.430 -9.444 1.00 0.00 H new ATOM 396 N MET A 51 4.808 -5.269 -7.977 1.00 0.00 N ATOM 397 CA MET A 51 4.743 -5.658 -6.572 1.00 0.00 C ATOM 398 C MET A 51 5.972 -5.145 -5.831 1.00 0.00 C ATOM 399 O MET A 51 5.876 -4.635 -4.715 1.00 0.00 O ATOM 400 CB MET A 51 4.668 -7.179 -6.453 1.00 0.00 C ATOM 401 CG MET A 51 3.737 -7.814 -7.469 1.00 0.00 C ATOM 402 SD MET A 51 2.029 -7.265 -7.297 1.00 0.00 S ATOM 403 CE MET A 51 1.634 -7.915 -5.680 1.00 0.00 C ATOM 0 H MET A 51 5.180 -5.991 -8.594 1.00 0.00 H new ATOM 0 HA MET A 51 3.849 -5.220 -6.128 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.668 -7.596 -6.576 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.334 -7.442 -5.449 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.089 -7.579 -8.473 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.777 -8.898 -7.363 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.559 -7.849 -5.514 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.947 -8.957 -5.620 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.155 -7.336 -4.918 1.00 0.00 H new ATOM 413 N ASP A 52 7.128 -5.294 -6.472 1.00 0.00 N ATOM 414 CA ASP A 52 8.396 -4.861 -5.904 1.00 0.00 C ATOM 415 C ASP A 52 8.362 -3.379 -5.535 1.00 0.00 C ATOM 416 O ASP A 52 8.881 -2.978 -4.494 1.00 0.00 O ATOM 417 CB ASP A 52 9.521 -5.126 -6.901 1.00 0.00 C ATOM 418 CG ASP A 52 9.668 -6.598 -7.234 1.00 0.00 C ATOM 419 OD1 ASP A 52 8.895 -7.412 -6.687 1.00 0.00 O ATOM 420 OD2 ASP A 52 10.558 -6.937 -8.043 1.00 0.00 O ATOM 0 H ASP A 52 7.210 -5.717 -7.397 1.00 0.00 H new ATOM 0 HA ASP A 52 8.574 -5.429 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.329 -4.567 -7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.460 -4.754 -6.491 1.00 0.00 H new ATOM 425 N GLY A 53 7.748 -2.568 -6.390 1.00 0.00 N ATOM 426 CA GLY A 53 7.661 -1.143 -6.122 1.00 0.00 C ATOM 427 C GLY A 53 6.919 -0.853 -4.833 1.00 0.00 C ATOM 428 O GLY A 53 7.286 0.050 -4.081 1.00 0.00 O ATOM 0 H GLY A 53 7.310 -2.870 -7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.665 -0.723 -6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.155 -0.648 -6.951 1.00 0.00 H new ATOM 432 N LEU A 54 5.868 -1.627 -4.584 1.00 0.00 N ATOM 433 CA LEU A 54 5.052 -1.472 -3.385 1.00 0.00 C ATOM 434 C LEU A 54 5.869 -1.732 -2.120 1.00 0.00 C ATOM 435 O LEU A 54 5.599 -1.158 -1.065 1.00 0.00 O ATOM 436 CB LEU A 54 3.864 -2.434 -3.440 1.00 0.00 C ATOM 437 CG LEU A 54 2.989 -2.319 -4.691 1.00 0.00 C ATOM 438 CD1 LEU A 54 1.954 -3.431 -4.722 1.00 0.00 C ATOM 439 CD2 LEU A 54 2.307 -0.962 -4.743 1.00 0.00 C ATOM 0 H LEU A 54 5.559 -2.376 -5.204 1.00 0.00 H new ATOM 0 HA LEU A 54 4.692 -0.444 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.240 -3.455 -3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.240 -2.265 -2.563 1.00 0.00 H new ATOM 0 HG LEU A 54 3.630 -2.418 -5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.341 -3.333 -5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.458 -4.397 -4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.319 -3.362 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.690 -0.899 -5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.680 -0.836 -3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.062 -0.176 -4.767 1.00 0.00 H new ATOM 451 N LYS A 55 6.856 -2.618 -2.235 1.00 0.00 N ATOM 452 CA LYS A 55 7.709 -2.987 -1.104 1.00 0.00 C ATOM 453 C LYS A 55 8.212 -1.762 -0.343 1.00 0.00 C ATOM 454 O LYS A 55 8.141 -1.717 0.885 1.00 0.00 O ATOM 455 CB LYS A 55 8.905 -3.802 -1.596 1.00 0.00 C ATOM 456 CG LYS A 55 8.522 -4.985 -2.470 1.00 0.00 C ATOM 457 CD LYS A 55 9.750 -5.666 -3.052 1.00 0.00 C ATOM 458 CE LYS A 55 10.514 -6.435 -1.995 1.00 0.00 C ATOM 459 NZ LYS A 55 11.782 -7.005 -2.529 1.00 0.00 N ATOM 0 H LYS A 55 7.087 -3.097 -3.105 1.00 0.00 H new ATOM 0 HA LYS A 55 7.103 -3.583 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.572 -3.148 -2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.465 -4.165 -0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.950 -5.703 -1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.874 -4.647 -3.279 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.447 -6.345 -3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.403 -4.918 -3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.738 -5.775 -1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.889 -7.240 -1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.765 -8.040 -2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.881 -6.752 -3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.587 -6.621 -1.995 1.00 0.00 H new ATOM 473 N ASP A 56 8.731 -0.778 -1.070 1.00 0.00 N ATOM 474 CA ASP A 56 9.255 0.433 -0.447 1.00 0.00 C ATOM 475 C ASP A 56 8.173 1.156 0.347 1.00 0.00 C ATOM 476 O ASP A 56 8.441 1.724 1.406 1.00 0.00 O ATOM 477 CB ASP A 56 9.843 1.373 -1.499 1.00 0.00 C ATOM 478 CG ASP A 56 10.890 0.697 -2.364 1.00 0.00 C ATOM 479 OD1 ASP A 56 10.553 -0.302 -3.034 1.00 0.00 O ATOM 480 OD2 ASP A 56 12.046 1.169 -2.374 1.00 0.00 O ATOM 0 H ASP A 56 8.800 -0.795 -2.088 1.00 0.00 H new ATOM 0 HA ASP A 56 10.046 0.133 0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.041 1.750 -2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.288 2.235 -1.003 1.00 0.00 H new ATOM 485 N GLY A 57 6.951 1.135 -0.171 1.00 0.00 N ATOM 486 CA GLY A 57 5.848 1.796 0.500 1.00 0.00 C ATOM 487 C GLY A 57 5.984 3.305 0.487 1.00 0.00 C ATOM 488 O GLY A 57 6.636 3.886 1.353 1.00 0.00 O ATOM 0 H GLY A 57 6.704 0.671 -1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.912 1.514 0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.793 1.448 1.531 1.00 0.00 H new ATOM 492 N VAL A 58 5.356 3.937 -0.500 1.00 0.00 N ATOM 493 CA VAL A 58 5.388 5.390 -0.642 1.00 0.00 C ATOM 494 C VAL A 58 4.167 5.862 -1.411 1.00 0.00 C ATOM 495 O VAL A 58 3.420 6.725 -0.953 1.00 0.00 O ATOM 496 CB VAL A 58 6.642 5.874 -1.402 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.645 7.392 -1.511 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.919 5.384 -0.736 1.00 0.00 C ATOM 0 H VAL A 58 4.813 3.460 -1.220 1.00 0.00 H new ATOM 0 HA VAL A 58 5.404 5.804 0.366 1.00 0.00 H new ATOM 0 HB VAL A 58 6.608 5.451 -2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.536 7.716 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.756 7.720 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.646 7.828 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.782 5.743 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.966 5.764 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.925 4.294 -0.718 1.00 0.00 H new ATOM 508 N ILE A 59 3.974 5.281 -2.589 1.00 0.00 N ATOM 509 CA ILE A 59 2.850 5.625 -3.443 1.00 0.00 C ATOM 510 C ILE A 59 1.537 5.180 -2.813 1.00 0.00 C ATOM 511 O ILE A 59 0.565 5.933 -2.799 1.00 0.00 O ATOM 512 CB ILE A 59 2.995 4.987 -4.837 1.00 0.00 C ATOM 513 CG1 ILE A 59 4.354 5.355 -5.441 1.00 0.00 C ATOM 514 CG2 ILE A 59 1.860 5.434 -5.747 1.00 0.00 C ATOM 515 CD1 ILE A 59 4.634 4.685 -6.768 1.00 0.00 C ATOM 0 H ILE A 59 4.588 4.564 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 59 2.844 6.709 -3.554 1.00 0.00 H new ATOM 0 HB ILE A 59 2.941 3.903 -4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.402 6.436 -5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.140 5.085 -4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.978 4.974 -6.728 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.906 5.130 -5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.882 6.519 -5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.614 4.994 -7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.620 3.603 -6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.870 4.974 -7.490 1.00 0.00 H new ATOM 527 N LEU A 60 1.516 3.958 -2.281 1.00 0.00 N ATOM 528 CA LEU A 60 0.317 3.439 -1.637 1.00 0.00 C ATOM 529 C LEU A 60 -0.071 4.338 -0.475 1.00 0.00 C ATOM 530 O LEU A 60 -1.233 4.713 -0.332 1.00 0.00 O ATOM 531 CB LEU A 60 0.530 2.002 -1.159 1.00 0.00 C ATOM 532 CG LEU A 60 0.733 0.976 -2.276 1.00 0.00 C ATOM 533 CD1 LEU A 60 0.863 -0.424 -1.693 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.416 1.039 -3.276 1.00 0.00 C ATOM 0 H LEU A 60 2.309 3.317 -2.284 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.494 3.429 -2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.399 1.978 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.331 1.702 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 60 1.657 1.216 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.007 -1.142 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.719 -0.459 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.044 -0.674 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.254 0.302 -4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.355 0.824 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.462 2.035 -3.716 1.00 0.00 H new ATOM 546 N CYS A 61 0.919 4.714 0.329 1.00 0.00 N ATOM 547 CA CYS A 61 0.687 5.611 1.449 1.00 0.00 C ATOM 548 C CYS A 61 0.021 6.880 0.939 1.00 0.00 C ATOM 549 O CYS A 61 -0.931 7.385 1.531 1.00 0.00 O ATOM 550 CB CYS A 61 2.011 5.943 2.140 1.00 0.00 C ATOM 551 SG CYS A 61 2.019 7.533 2.999 1.00 0.00 S ATOM 0 H CYS A 61 1.887 4.410 0.224 1.00 0.00 H new ATOM 0 HA CYS A 61 0.034 5.128 2.176 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.242 5.154 2.856 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.807 5.941 1.396 1.00 0.00 H new ATOM 0 HG CYS A 61 1.998 8.497 2.127 1.00 0.00 H new ATOM 557 N GLU A 62 0.527 7.371 -0.186 1.00 0.00 N ATOM 558 CA GLU A 62 -0.004 8.564 -0.825 1.00 0.00 C ATOM 559 C GLU A 62 -1.423 8.318 -1.337 1.00 0.00 C ATOM 560 O GLU A 62 -2.270 9.210 -1.308 1.00 0.00 O ATOM 561 CB GLU A 62 0.912 8.974 -1.980 1.00 0.00 C ATOM 562 CG GLU A 62 2.289 9.430 -1.527 1.00 0.00 C ATOM 563 CD GLU A 62 3.161 9.891 -2.679 1.00 0.00 C ATOM 564 OE1 GLU A 62 2.688 9.856 -3.835 1.00 0.00 O ATOM 565 OE2 GLU A 62 4.317 10.289 -2.426 1.00 0.00 O ATOM 0 H GLU A 62 1.316 6.952 -0.679 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.044 9.369 -0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.023 8.131 -2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.438 9.779 -2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.180 10.244 -0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.785 8.611 -1.006 1.00 0.00 H new ATOM 572 N LEU A 63 -1.664 7.100 -1.813 1.00 0.00 N ATOM 573 CA LEU A 63 -2.960 6.713 -2.347 1.00 0.00 C ATOM 574 C LEU A 63 -4.034 6.694 -1.261 1.00 0.00 C ATOM 575 O LEU A 63 -5.101 7.285 -1.425 1.00 0.00 O ATOM 576 CB LEU A 63 -2.827 5.335 -3.006 1.00 0.00 C ATOM 577 CG LEU A 63 -4.109 4.716 -3.572 1.00 0.00 C ATOM 578 CD1 LEU A 63 -4.967 4.118 -2.468 1.00 0.00 C ATOM 579 CD2 LEU A 63 -4.902 5.742 -4.366 1.00 0.00 C ATOM 0 H LEU A 63 -0.966 6.357 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.274 7.449 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.101 5.414 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.412 4.645 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.817 3.910 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.869 3.687 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.405 3.340 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.243 4.898 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.807 5.278 -4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.172 6.575 -3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.295 6.109 -5.194 1.00 0.00 H new ATOM 591 N ILE A 64 -3.754 6.003 -0.161 1.00 0.00 N ATOM 592 CA ILE A 64 -4.708 5.901 0.936 1.00 0.00 C ATOM 593 C ILE A 64 -5.036 7.273 1.519 1.00 0.00 C ATOM 594 O ILE A 64 -6.183 7.541 1.863 1.00 0.00 O ATOM 595 CB ILE A 64 -4.197 4.968 2.051 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.234 4.844 3.165 1.00 0.00 C ATOM 597 CG2 ILE A 64 -2.870 5.462 2.604 1.00 0.00 C ATOM 598 CD1 ILE A 64 -6.539 4.223 2.716 1.00 0.00 C ATOM 0 H ILE A 64 -2.876 5.507 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.619 5.472 0.519 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.037 3.980 1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.816 4.244 3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.435 5.834 3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.529 4.787 3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.130 5.490 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.997 6.463 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.225 4.168 3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.981 4.834 1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.352 3.219 2.334 1.00 0.00 H new ATOM 610 N ASN A 65 -4.035 8.143 1.621 1.00 0.00 N ATOM 611 CA ASN A 65 -4.256 9.485 2.153 1.00 0.00 C ATOM 612 C ASN A 65 -5.366 10.192 1.385 1.00 0.00 C ATOM 613 O ASN A 65 -6.070 11.043 1.930 1.00 0.00 O ATOM 614 CB ASN A 65 -2.972 10.316 2.102 1.00 0.00 C ATOM 615 CG ASN A 65 -1.984 9.928 3.184 1.00 0.00 C ATOM 616 OD1 ASN A 65 -2.311 9.943 4.369 1.00 0.00 O ATOM 617 ND2 ASN A 65 -0.765 9.593 2.783 1.00 0.00 N ATOM 0 H ASN A 65 -3.073 7.946 1.346 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.559 9.383 3.195 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.503 10.194 1.126 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.222 11.372 2.205 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.056 9.334 3.469 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.537 9.594 1.789 1.00 0.00 H new ATOM 624 N LYS A 66 -5.519 9.831 0.115 1.00 0.00 N ATOM 625 CA LYS A 66 -6.537 10.417 -0.734 1.00 0.00 C ATOM 626 C LYS A 66 -7.922 9.947 -0.312 1.00 0.00 C ATOM 627 O LYS A 66 -8.827 10.753 -0.096 1.00 0.00 O ATOM 628 CB LYS A 66 -6.273 10.019 -2.184 1.00 0.00 C ATOM 629 CG LYS A 66 -4.931 10.477 -2.712 1.00 0.00 C ATOM 630 CD LYS A 66 -4.864 11.987 -2.804 1.00 0.00 C ATOM 631 CE LYS A 66 -3.536 12.441 -3.364 1.00 0.00 C ATOM 632 NZ LYS A 66 -3.335 11.978 -4.765 1.00 0.00 N ATOM 0 H LYS A 66 -4.942 9.128 -0.347 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.499 11.502 -0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.335 8.934 -2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.061 10.434 -2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.137 10.114 -2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.757 10.042 -3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.673 12.352 -3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.013 12.421 -1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.481 13.529 -3.330 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.729 12.061 -2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.551 12.508 -5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.109 10.963 -4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.205 12.139 -5.312 1.00 0.00 H new ATOM 646 N LEU A 67 -8.075 8.632 -0.198 1.00 0.00 N ATOM 647 CA LEU A 67 -9.342 8.034 0.198 1.00 0.00 C ATOM 648 C LEU A 67 -9.613 8.274 1.678 1.00 0.00 C ATOM 649 O LEU A 67 -10.626 8.868 2.049 1.00 0.00 O ATOM 650 CB LEU A 67 -9.316 6.532 -0.087 1.00 0.00 C ATOM 651 CG LEU A 67 -8.901 6.151 -1.511 1.00 0.00 C ATOM 652 CD1 LEU A 67 -8.788 4.641 -1.645 1.00 0.00 C ATOM 653 CD2 LEU A 67 -9.891 6.706 -2.524 1.00 0.00 C ATOM 0 H LEU A 67 -7.331 7.957 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.140 8.500 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.631 6.056 0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.307 6.123 0.108 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.924 6.589 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.492 4.387 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.039 4.269 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.752 4.183 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.579 6.425 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.882 6.299 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.922 7.793 -2.445 1.00 0.00 H new ATOM 665 N GLN A 68 -8.695 7.807 2.518 1.00 0.00 N ATOM 666 CA GLN A 68 -8.820 7.965 3.960 1.00 0.00 C ATOM 667 C GLN A 68 -8.036 9.183 4.448 1.00 0.00 C ATOM 668 O GLN A 68 -6.888 9.394 4.056 1.00 0.00 O ATOM 669 CB GLN A 68 -8.328 6.708 4.677 1.00 0.00 C ATOM 670 CG GLN A 68 -8.501 6.764 6.187 1.00 0.00 C ATOM 671 CD GLN A 68 -7.910 5.562 6.902 1.00 0.00 C ATOM 672 OE1 GLN A 68 -7.337 4.633 6.142 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -7.970 5.467 8.127 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.853 7.314 2.221 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.874 8.118 4.191 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.867 5.844 4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.274 6.556 4.445 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.031 7.671 6.567 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.563 6.832 6.422 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.418 6.202 8.674 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.571 4.653 8.596 1.00 0.00 H new ATOM 682 N PRO A 69 -8.652 10.000 5.316 1.00 0.00 N ATOM 683 CA PRO A 69 -8.024 11.200 5.869 1.00 0.00 C ATOM 684 C PRO A 69 -6.946 10.878 6.902 1.00 0.00 C ATOM 685 O PRO A 69 -7.160 10.061 7.800 1.00 0.00 O ATOM 686 CB PRO A 69 -9.189 11.929 6.526 1.00 0.00 C ATOM 687 CG PRO A 69 -10.152 10.863 6.885 1.00 0.00 C ATOM 688 CD PRO A 69 -10.017 9.810 5.827 1.00 0.00 C ATOM 0 HA PRO A 69 -7.511 11.781 5.102 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.863 12.480 7.408 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.637 12.653 5.845 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.932 10.455 7.872 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -11.170 11.252 6.920 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.155 8.810 6.238 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.760 9.936 5.040 1.00 0.00 H new ATOM 696 N GLY A 70 -5.793 11.531 6.775 1.00 0.00 N ATOM 697 CA GLY A 70 -4.702 11.310 7.710 1.00 0.00 C ATOM 698 C GLY A 70 -4.322 9.847 7.835 1.00 0.00 C ATOM 699 O GLY A 70 -4.149 9.336 8.941 1.00 0.00 O ATOM 0 H GLY A 70 -5.595 12.210 6.040 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.831 11.880 7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.987 11.692 8.690 1.00 0.00 H new ATOM 703 N SER A 71 -4.200 9.172 6.698 1.00 0.00 N ATOM 704 CA SER A 71 -3.845 7.758 6.680 1.00 0.00 C ATOM 705 C SER A 71 -2.406 7.540 7.141 1.00 0.00 C ATOM 706 O SER A 71 -2.134 6.666 7.965 1.00 0.00 O ATOM 707 CB SER A 71 -4.030 7.190 5.274 1.00 0.00 C ATOM 708 OG SER A 71 -5.364 7.359 4.831 1.00 0.00 O ATOM 0 H SER A 71 -4.342 9.582 5.775 1.00 0.00 H new ATOM 0 HA SER A 71 -4.506 7.237 7.373 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.348 7.687 4.584 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.773 6.131 5.269 1.00 0.00 H new ATOM 0 HG SER A 71 -5.558 8.315 4.735 1.00 0.00 H new ATOM 714 N VAL A 72 -1.488 8.337 6.601 1.00 0.00 N ATOM 715 CA VAL A 72 -0.076 8.231 6.953 1.00 0.00 C ATOM 716 C VAL A 72 0.556 9.614 7.064 1.00 0.00 C ATOM 717 O VAL A 72 0.306 10.488 6.233 1.00 0.00 O ATOM 718 CB VAL A 72 0.708 7.413 5.904 1.00 0.00 C ATOM 719 CG1 VAL A 72 2.140 7.185 6.364 1.00 0.00 C ATOM 720 CG2 VAL A 72 0.017 6.090 5.608 1.00 0.00 C ATOM 0 H VAL A 72 -1.698 9.064 5.917 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.024 7.721 7.915 1.00 0.00 H new ATOM 0 HB VAL A 72 0.732 7.988 4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.676 6.607 5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.635 8.146 6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.137 6.638 7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.593 5.537 4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.053 5.503 6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.984 6.281 5.222 1.00 0.00 H new ATOM 730 N GLN A 73 1.373 9.810 8.096 1.00 0.00 N ATOM 731 CA GLN A 73 2.038 11.091 8.312 1.00 0.00 C ATOM 732 C GLN A 73 3.095 11.338 7.230 1.00 0.00 C ATOM 733 O GLN A 73 2.830 11.141 6.044 1.00 0.00 O ATOM 734 CB GLN A 73 2.664 11.128 9.712 1.00 0.00 C ATOM 735 CG GLN A 73 3.034 12.527 10.183 1.00 0.00 C ATOM 736 CD GLN A 73 3.646 12.532 11.571 1.00 0.00 C ATOM 737 OE1 GLN A 73 4.684 11.913 11.806 1.00 0.00 O ATOM 738 NE2 GLN A 73 3.002 13.231 12.498 1.00 0.00 N ATOM 0 H GLN A 73 1.590 9.099 8.794 1.00 0.00 H new ATOM 0 HA GLN A 73 1.298 11.889 8.244 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.965 10.688 10.424 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.558 10.505 9.716 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.738 12.970 9.478 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.143 13.155 10.180 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.145 13.729 12.258 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.365 13.270 13.451 1.00 0.00 H new ATOM 747 N LYS A 74 4.290 11.767 7.634 1.00 0.00 N ATOM 748 CA LYS A 74 5.366 12.033 6.684 1.00 0.00 C ATOM 749 C LYS A 74 5.916 10.733 6.104 1.00 0.00 C ATOM 750 O LYS A 74 6.247 9.805 6.842 1.00 0.00 O ATOM 751 CB LYS A 74 6.490 12.818 7.361 1.00 0.00 C ATOM 752 CG LYS A 74 6.047 14.165 7.909 1.00 0.00 C ATOM 753 CD LYS A 74 7.200 14.907 8.565 1.00 0.00 C ATOM 754 CE LYS A 74 6.757 16.256 9.108 1.00 0.00 C ATOM 755 NZ LYS A 74 7.880 16.993 9.751 1.00 0.00 N ATOM 0 H LYS A 74 4.536 11.937 8.609 1.00 0.00 H new ATOM 0 HA LYS A 74 4.956 12.628 5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.899 12.221 8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.296 12.974 6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.636 14.770 7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.247 14.018 8.635 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.608 14.303 9.376 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.001 15.051 7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.346 16.857 8.296 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.956 16.110 9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.536 17.907 10.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.256 16.432 10.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.634 17.155 9.053 1.00 0.00 H new ATOM 769 N VAL A 75 6.011 10.675 4.779 1.00 0.00 N ATOM 770 CA VAL A 75 6.523 9.490 4.101 1.00 0.00 C ATOM 771 C VAL A 75 8.043 9.412 4.203 1.00 0.00 C ATOM 772 O VAL A 75 8.747 10.352 3.834 1.00 0.00 O ATOM 773 CB VAL A 75 6.119 9.477 2.613 1.00 0.00 C ATOM 774 CG1 VAL A 75 6.602 8.203 1.937 1.00 0.00 C ATOM 775 CG2 VAL A 75 4.614 9.633 2.466 1.00 0.00 C ATOM 0 H VAL A 75 5.740 11.435 4.154 1.00 0.00 H new ATOM 0 HA VAL A 75 6.083 8.626 4.598 1.00 0.00 H new ATOM 0 HB VAL A 75 6.597 10.323 2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.307 8.213 0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.688 8.143 2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.158 7.338 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.349 9.621 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.112 8.811 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.301 10.579 2.908 1.00 0.00 H new ATOM 785 N ASN A 76 8.544 8.285 4.698 1.00 0.00 N ATOM 786 CA ASN A 76 9.982 8.085 4.839 1.00 0.00 C ATOM 787 C ASN A 76 10.590 7.573 3.538 1.00 0.00 C ATOM 788 O ASN A 76 10.060 6.653 2.916 1.00 0.00 O ATOM 789 CB ASN A 76 10.279 7.098 5.969 1.00 0.00 C ATOM 790 CG ASN A 76 9.767 7.578 7.313 1.00 0.00 C ATOM 791 OD1 ASN A 76 8.919 6.774 7.942 1.00 0.00 O flip ATOM 792 ND2 ASN A 76 10.133 8.656 7.781 1.00 0.00 N flip ATOM 0 H ASN A 76 7.976 7.497 5.008 1.00 0.00 H new ATOM 0 HA ASN A 76 10.431 9.049 5.080 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.825 6.135 5.734 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.355 6.936 6.031 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.787 9.242 7.262 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.783 8.963 8.688 1.00 0.00 H new ATOM 799 N ASP A 77 11.710 8.167 3.138 1.00 0.00 N ATOM 800 CA ASP A 77 12.391 7.757 1.915 1.00 0.00 C ATOM 801 C ASP A 77 12.869 6.311 2.032 1.00 0.00 C ATOM 802 O ASP A 77 13.396 5.911 3.069 1.00 0.00 O ATOM 803 CB ASP A 77 13.580 8.679 1.634 1.00 0.00 C ATOM 804 CG ASP A 77 13.161 10.126 1.461 1.00 0.00 C ATOM 805 OD1 ASP A 77 12.363 10.408 0.542 1.00 0.00 O ATOM 806 OD2 ASP A 77 13.630 10.978 2.246 1.00 0.00 O ATOM 0 H ASP A 77 12.163 8.930 3.640 1.00 0.00 H new ATOM 0 HA ASP A 77 11.686 7.829 1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.295 8.606 2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 77 14.093 8.342 0.733 1.00 0.00 H new ATOM 811 N PRO A 78 12.679 5.501 0.975 1.00 0.00 N ATOM 812 CA PRO A 78 13.088 4.092 0.978 1.00 0.00 C ATOM 813 C PRO A 78 14.602 3.911 0.877 1.00 0.00 C ATOM 814 O PRO A 78 15.081 2.991 0.213 1.00 0.00 O ATOM 815 CB PRO A 78 12.399 3.530 -0.266 1.00 0.00 C ATOM 816 CG PRO A 78 12.273 4.695 -1.184 1.00 0.00 C ATOM 817 CD PRO A 78 12.042 5.889 -0.300 1.00 0.00 C ATOM 0 HA PRO A 78 12.813 3.592 1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.987 2.731 -0.718 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.423 3.109 -0.023 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.175 4.820 -1.783 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.445 4.557 -1.880 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.493 6.790 -0.716 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.979 6.094 -0.172 1.00 0.00 H new ATOM 825 N VAL A 79 15.351 4.786 1.542 1.00 0.00 N ATOM 826 CA VAL A 79 16.807 4.710 1.527 1.00 0.00 C ATOM 827 C VAL A 79 17.303 3.574 2.415 1.00 0.00 C ATOM 828 O VAL A 79 18.033 2.691 1.963 1.00 0.00 O ATOM 829 CB VAL A 79 17.444 6.031 1.999 1.00 0.00 C ATOM 830 CG1 VAL A 79 18.962 5.952 1.925 1.00 0.00 C ATOM 831 CG2 VAL A 79 16.921 7.201 1.180 1.00 0.00 C ATOM 0 H VAL A 79 14.974 5.554 2.097 1.00 0.00 H new ATOM 0 HA VAL A 79 17.105 4.521 0.496 1.00 0.00 H new ATOM 0 HB VAL A 79 17.164 6.194 3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 79 19.392 6.895 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 79 19.316 5.142 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 79 19.267 5.762 0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 79 17.383 8.125 1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 79 17.165 7.047 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 79 15.839 7.271 1.294 1.00 0.00 H new ATOM 841 N GLN A 80 16.901 3.603 3.682 1.00 0.00 N ATOM 842 CA GLN A 80 17.301 2.576 4.637 1.00 0.00 C ATOM 843 C GLN A 80 16.471 1.308 4.453 1.00 0.00 C ATOM 844 O GLN A 80 16.121 0.946 3.330 1.00 0.00 O ATOM 845 CB GLN A 80 17.161 3.103 6.069 1.00 0.00 C ATOM 846 CG GLN A 80 18.051 4.300 6.368 1.00 0.00 C ATOM 847 CD GLN A 80 19.535 3.967 6.346 1.00 0.00 C ATOM 848 OE1 GLN A 80 19.863 2.688 6.191 1.00 0.00 O flip ATOM 849 NE2 GLN A 80 20.379 4.853 6.481 1.00 0.00 N flip ATOM 0 H GLN A 80 16.298 4.328 4.071 1.00 0.00 H new ATOM 0 HA GLN A 80 18.346 2.326 4.454 1.00 0.00 H new ATOM 0 HB2 GLN A 80 16.122 3.381 6.245 1.00 0.00 H new ATOM 0 HB3 GLN A 80 17.399 2.301 6.767 1.00 0.00 H new ATOM 0 HG2 GLN A 80 17.851 5.084 5.638 1.00 0.00 H new ATOM 0 HG3 GLN A 80 17.790 4.702 7.347 1.00 0.00 H new ATOM 0 HE21 GLN A 80 20.086 5.823 6.597 1.00 0.00 H new ATOM 0 HE22 GLN A 80 21.371 4.617 6.476 1.00 0.00 H new ATOM 858 N ASN A 81 16.158 0.635 5.559 1.00 0.00 N ATOM 859 CA ASN A 81 15.369 -0.592 5.510 1.00 0.00 C ATOM 860 C ASN A 81 14.058 -0.438 6.277 1.00 0.00 C ATOM 861 O ASN A 81 12.988 -0.772 5.766 1.00 0.00 O ATOM 862 CB ASN A 81 16.169 -1.763 6.088 1.00 0.00 C ATOM 863 CG ASN A 81 17.410 -2.100 5.276 1.00 0.00 C ATOM 864 OD1 ASN A 81 17.578 -1.443 4.133 1.00 0.00 O flip ATOM 865 ND2 ASN A 81 18.205 -2.953 5.669 1.00 0.00 N flip ATOM 0 H ASN A 81 16.439 0.919 6.498 1.00 0.00 H new ATOM 0 HA ASN A 81 15.135 -0.794 4.465 1.00 0.00 H new ATOM 0 HB2 ASN A 81 16.465 -1.523 7.109 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.527 -2.642 6.140 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.040 -3.435 6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 81 19.029 -3.178 5.111 1.00 0.00 H new ATOM 872 N TRP A 82 14.148 0.056 7.509 1.00 0.00 N ATOM 873 CA TRP A 82 12.966 0.239 8.345 1.00 0.00 C ATOM 874 C TRP A 82 12.058 1.340 7.802 1.00 0.00 C ATOM 875 O TRP A 82 10.861 1.359 8.089 1.00 0.00 O ATOM 876 CB TRP A 82 13.366 0.517 9.799 1.00 0.00 C ATOM 877 CG TRP A 82 14.254 1.710 9.984 1.00 0.00 C ATOM 878 CD1 TRP A 82 15.618 1.731 9.923 1.00 0.00 C ATOM 879 CD2 TRP A 82 13.845 3.044 10.306 1.00 0.00 C ATOM 880 NE1 TRP A 82 16.082 3.001 10.166 1.00 0.00 N ATOM 881 CE2 TRP A 82 15.013 3.825 10.408 1.00 0.00 C ATOM 882 CE3 TRP A 82 12.606 3.658 10.510 1.00 0.00 C ATOM 883 CZ2 TRP A 82 14.977 5.185 10.706 1.00 0.00 C ATOM 884 CZ3 TRP A 82 12.571 5.007 10.807 1.00 0.00 C ATOM 885 CH2 TRP A 82 13.750 5.758 10.902 1.00 0.00 C ATOM 0 H TRP A 82 15.025 0.336 7.949 1.00 0.00 H new ATOM 0 HA TRP A 82 12.397 -0.690 8.321 1.00 0.00 H new ATOM 0 HB2 TRP A 82 12.461 0.659 10.390 1.00 0.00 H new ATOM 0 HB3 TRP A 82 13.873 -0.362 10.197 1.00 0.00 H new ATOM 0 HD1 TRP A 82 16.241 0.874 9.714 1.00 0.00 H new ATOM 0 HE1 TRP A 82 17.062 3.285 10.166 1.00 0.00 H new ATOM 0 HE3 TRP A 82 11.692 3.088 10.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 15.884 5.766 10.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 11.619 5.491 10.969 1.00 0.00 H new ATOM 0 HH2 TRP A 82 13.689 6.811 11.135 1.00 0.00 H new ATOM 896 N HIS A 83 12.623 2.248 7.009 1.00 0.00 N ATOM 897 CA HIS A 83 11.844 3.336 6.421 1.00 0.00 C ATOM 898 C HIS A 83 10.648 2.786 5.650 1.00 0.00 C ATOM 899 O HIS A 83 9.524 3.268 5.799 1.00 0.00 O ATOM 900 CB HIS A 83 12.714 4.178 5.484 1.00 0.00 C ATOM 901 CG HIS A 83 13.739 5.012 6.189 1.00 0.00 C ATOM 902 ND1 HIS A 83 14.645 5.812 5.524 1.00 0.00 N ATOM 903 CD2 HIS A 83 13.990 5.181 7.507 1.00 0.00 C ATOM 904 CE1 HIS A 83 15.408 6.435 6.403 1.00 0.00 C ATOM 905 NE2 HIS A 83 15.032 6.070 7.613 1.00 0.00 N ATOM 0 H HIS A 83 13.612 2.253 6.760 1.00 0.00 H new ATOM 0 HA HIS A 83 11.483 3.967 7.234 1.00 0.00 H new ATOM 0 HB2 HIS A 83 13.220 3.515 4.782 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.070 4.832 4.897 1.00 0.00 H new ATOM 0 HD1 HIS A 83 14.715 5.907 4.511 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.468 4.705 8.324 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.205 7.126 6.171 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.447 6.395 8.486 1.00 0.00 H new ATOM 914 N LYS A 84 10.899 1.769 4.830 1.00 0.00 N ATOM 915 CA LYS A 84 9.847 1.144 4.035 1.00 0.00 C ATOM 916 C LYS A 84 8.797 0.500 4.936 1.00 0.00 C ATOM 917 O LYS A 84 7.597 0.680 4.733 1.00 0.00 O ATOM 918 CB LYS A 84 10.448 0.089 3.103 1.00 0.00 C ATOM 919 CG LYS A 84 11.420 0.655 2.080 1.00 0.00 C ATOM 920 CD LYS A 84 12.126 -0.454 1.315 1.00 0.00 C ATOM 921 CE LYS A 84 13.135 0.105 0.326 1.00 0.00 C ATOM 922 NZ LYS A 84 13.828 -0.974 -0.431 1.00 0.00 N ATOM 0 H LYS A 84 11.824 1.360 4.699 1.00 0.00 H new ATOM 0 HA LYS A 84 9.365 1.918 3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.963 -0.661 3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.640 -0.422 2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.883 1.297 1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.158 1.279 2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.632 -1.116 2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.389 -1.056 0.783 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.628 0.770 -0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.872 0.705 0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.508 -0.551 -1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.333 -1.595 0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.128 -1.531 -0.961 1.00 0.00 H new ATOM 936 N LEU A 85 9.262 -0.253 5.927 1.00 0.00 N ATOM 937 CA LEU A 85 8.379 -0.935 6.863 1.00 0.00 C ATOM 938 C LEU A 85 7.464 0.050 7.584 1.00 0.00 C ATOM 939 O LEU A 85 6.339 -0.289 7.951 1.00 0.00 O ATOM 940 CB LEU A 85 9.209 -1.717 7.881 1.00 0.00 C ATOM 941 CG LEU A 85 10.120 -2.795 7.288 1.00 0.00 C ATOM 942 CD1 LEU A 85 10.936 -3.463 8.384 1.00 0.00 C ATOM 943 CD2 LEU A 85 9.301 -3.828 6.527 1.00 0.00 C ATOM 0 H LEU A 85 10.255 -0.407 6.103 1.00 0.00 H new ATOM 0 HA LEU A 85 7.751 -1.623 6.297 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.823 -1.013 8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.532 -2.188 8.593 1.00 0.00 H new ATOM 0 HG LEU A 85 10.807 -2.319 6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.578 -4.227 7.945 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.551 -2.716 8.886 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.264 -3.925 9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.966 -4.586 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.590 -4.300 7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.760 -3.339 5.717 1.00 0.00 H new ATOM 955 N GLU A 86 7.955 1.268 7.790 1.00 0.00 N ATOM 956 CA GLU A 86 7.182 2.300 8.473 1.00 0.00 C ATOM 957 C GLU A 86 5.957 2.682 7.655 1.00 0.00 C ATOM 958 O GLU A 86 4.835 2.683 8.159 1.00 0.00 O ATOM 959 CB GLU A 86 8.055 3.528 8.728 1.00 0.00 C ATOM 960 CG GLU A 86 7.409 4.554 9.646 1.00 0.00 C ATOM 961 CD GLU A 86 6.446 5.480 8.927 1.00 0.00 C ATOM 962 OE1 GLU A 86 6.349 5.395 7.685 1.00 0.00 O ATOM 963 OE2 GLU A 86 5.800 6.305 9.607 1.00 0.00 O ATOM 0 H GLU A 86 8.885 1.565 7.494 1.00 0.00 H new ATOM 0 HA GLU A 86 6.844 1.903 9.430 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.001 3.207 9.164 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.288 4.002 7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.876 4.034 10.442 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.189 5.149 10.120 1.00 0.00 H new ATOM 970 N ASN A 87 6.184 3.004 6.387 1.00 0.00 N ATOM 971 CA ASN A 87 5.111 3.384 5.488 1.00 0.00 C ATOM 972 C ASN A 87 4.125 2.238 5.304 1.00 0.00 C ATOM 973 O ASN A 87 2.914 2.452 5.239 1.00 0.00 O ATOM 974 CB ASN A 87 5.693 3.796 4.138 1.00 0.00 C ATOM 975 CG ASN A 87 6.606 5.002 4.244 1.00 0.00 C ATOM 976 OD1 ASN A 87 6.184 6.078 4.667 1.00 0.00 O ATOM 977 ND2 ASN A 87 7.864 4.828 3.858 1.00 0.00 N ATOM 0 H ASN A 87 7.110 3.008 5.960 1.00 0.00 H new ATOM 0 HA ASN A 87 4.575 4.227 5.924 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.249 2.959 3.715 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.879 4.020 3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.524 5.604 3.906 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.171 3.918 3.514 1.00 0.00 H new ATOM 984 N ILE A 88 4.651 1.021 5.218 1.00 0.00 N ATOM 985 CA ILE A 88 3.815 -0.159 5.037 1.00 0.00 C ATOM 986 C ILE A 88 2.938 -0.408 6.260 1.00 0.00 C ATOM 987 O ILE A 88 1.758 -0.736 6.132 1.00 0.00 O ATOM 988 CB ILE A 88 4.662 -1.418 4.768 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.557 -1.208 3.545 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.759 -2.627 4.569 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.461 -2.385 3.244 1.00 0.00 C ATOM 0 H ILE A 88 5.651 0.826 5.271 1.00 0.00 H new ATOM 0 HA ILE A 88 3.183 0.038 4.171 1.00 0.00 H new ATOM 0 HB ILE A 88 5.300 -1.601 5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.929 -1.011 2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.170 -0.321 3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.370 -3.510 4.380 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.160 -2.785 5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.100 -2.453 3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.066 -2.164 2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.115 -2.569 4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.854 -3.270 3.054 1.00 0.00 H new ATOM 1003 N GLY A 89 3.524 -0.257 7.443 1.00 0.00 N ATOM 1004 CA GLY A 89 2.784 -0.476 8.672 1.00 0.00 C ATOM 1005 C GLY A 89 1.581 0.436 8.802 1.00 0.00 C ATOM 1006 O GLY A 89 0.473 -0.026 9.067 1.00 0.00 O ATOM 0 H GLY A 89 4.499 0.013 7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.454 -1.514 8.712 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.447 -0.319 9.523 1.00 0.00 H new ATOM 1010 N ASN A 90 1.797 1.733 8.615 1.00 0.00 N ATOM 1011 CA ASN A 90 0.717 2.709 8.716 1.00 0.00 C ATOM 1012 C ASN A 90 -0.363 2.440 7.673 1.00 0.00 C ATOM 1013 O ASN A 90 -1.555 2.540 7.961 1.00 0.00 O ATOM 1014 CB ASN A 90 1.264 4.127 8.543 1.00 0.00 C ATOM 1015 CG ASN A 90 2.269 4.494 9.614 1.00 0.00 C ATOM 1016 OD1 ASN A 90 3.471 4.860 9.191 1.00 0.00 O flip ATOM 1017 ND2 ASN A 90 1.968 4.453 10.806 1.00 0.00 N flip ATOM 0 H ASN A 90 2.709 2.133 8.393 1.00 0.00 H new ATOM 0 HA ASN A 90 0.271 2.615 9.706 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.733 4.215 7.563 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.438 4.837 8.566 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.030 4.165 11.086 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.656 4.707 11.515 1.00 0.00 H new ATOM 1024 N PHE A 91 0.064 2.104 6.460 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.862 1.826 5.368 1.00 0.00 C ATOM 1026 C PHE A 91 -1.775 0.646 5.696 1.00 0.00 C ATOM 1027 O PHE A 91 -2.989 0.721 5.507 1.00 0.00 O ATOM 1028 CB PHE A 91 -0.083 1.539 4.082 1.00 0.00 C ATOM 1029 CG PHE A 91 -0.953 1.193 2.904 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -2.040 1.984 2.568 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.681 0.074 2.136 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.839 1.665 1.486 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.476 -0.252 1.053 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.556 0.546 0.728 1.00 0.00 C ATOM 0 H PHE A 91 1.049 2.017 6.208 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.488 2.707 5.227 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.519 2.412 3.832 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.608 0.716 4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.266 2.860 3.158 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.163 -0.552 2.386 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.683 2.290 1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.253 -1.128 0.462 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.178 0.295 -0.118 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.185 -0.444 6.174 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.947 -1.643 6.512 1.00 0.00 C ATOM 1046 C LEU A 92 -2.860 -1.414 7.710 1.00 0.00 C ATOM 1047 O LEU A 92 -4.041 -1.747 7.666 1.00 0.00 O ATOM 1048 CB LEU A 92 -0.999 -2.808 6.785 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.189 -3.254 5.571 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.857 -4.282 5.974 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.106 -3.816 4.498 1.00 0.00 C ATOM 0 H LEU A 92 -0.181 -0.523 6.337 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.580 -1.885 5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.312 -2.523 7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.579 -3.655 7.152 1.00 0.00 H new ATOM 0 HG LEU A 92 0.326 -2.385 5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.424 -4.588 5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.533 -3.844 6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.364 -5.152 6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.512 -4.129 3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.649 -4.673 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.816 -3.049 4.188 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.317 -0.842 8.777 1.00 0.00 N ATOM 1064 CA ARG A 93 -3.107 -0.574 9.972 1.00 0.00 C ATOM 1065 C ARG A 93 -4.283 0.326 9.633 1.00 0.00 C ATOM 1066 O ARG A 93 -5.378 0.179 10.176 1.00 0.00 O ATOM 1067 CB ARG A 93 -2.244 0.075 11.054 1.00 0.00 C ATOM 1068 CG ARG A 93 -1.076 -0.791 11.490 1.00 0.00 C ATOM 1069 CD ARG A 93 -1.537 -2.181 11.875 1.00 0.00 C ATOM 1070 NE ARG A 93 -0.419 -3.059 12.212 1.00 0.00 N ATOM 1071 CZ ARG A 93 -0.563 -4.330 12.573 1.00 0.00 C ATOM 1072 NH1 ARG A 93 -1.772 -4.872 12.643 1.00 0.00 N ATOM 1073 NH2 ARG A 93 0.504 -5.062 12.867 1.00 0.00 N ATOM 0 H ARG A 93 -1.340 -0.556 8.840 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.485 -1.522 10.354 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.863 1.027 10.683 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.866 0.297 11.921 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.348 -0.858 10.682 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.571 -0.325 12.336 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.214 -2.115 12.727 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.103 -2.616 11.051 1.00 0.00 H new ATOM 0 HE ARG A 93 0.525 -2.675 12.168 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.595 -4.313 12.419 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.878 -5.848 12.920 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.435 -4.649 12.816 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.393 -6.037 13.144 1.00 0.00 H new ATOM 1087 N ALA A 94 -4.037 1.257 8.725 1.00 0.00 N ATOM 1088 CA ALA A 94 -5.059 2.200 8.290 1.00 0.00 C ATOM 1089 C ALA A 94 -6.151 1.510 7.477 1.00 0.00 C ATOM 1090 O ALA A 94 -7.334 1.768 7.682 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.428 3.321 7.479 1.00 0.00 C ATOM 0 H ALA A 94 -3.132 1.381 8.271 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.525 2.621 9.181 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.202 4.019 7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.696 3.846 8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.933 2.902 6.603 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.751 0.643 6.547 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.711 -0.064 5.700 1.00 0.00 C ATOM 1099 C ILE A 95 -7.482 -1.128 6.481 1.00 0.00 C ATOM 1100 O ILE A 95 -8.668 -1.347 6.236 1.00 0.00 O ATOM 1101 CB ILE A 95 -6.035 -0.719 4.475 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -5.042 -1.805 4.906 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.338 0.339 3.632 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.453 -2.579 3.746 1.00 0.00 C ATOM 0 H ILE A 95 -4.774 0.414 6.362 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.412 0.693 5.347 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.809 -1.195 3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.233 -1.343 5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.545 -2.500 5.578 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.865 -0.135 2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.070 1.070 3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.579 0.841 4.232 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.760 -3.330 4.124 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.253 -3.070 3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.921 -1.895 3.085 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.806 -1.782 7.421 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.431 -2.817 8.234 1.00 0.00 C ATOM 1118 C LYS A 96 -8.623 -2.252 8.999 1.00 0.00 C ATOM 1119 O LYS A 96 -9.674 -2.886 9.094 1.00 0.00 O ATOM 1120 CB LYS A 96 -6.412 -3.409 9.212 1.00 0.00 C ATOM 1121 CG LYS A 96 -5.329 -4.244 8.549 1.00 0.00 C ATOM 1122 CD LYS A 96 -4.322 -4.787 9.556 1.00 0.00 C ATOM 1123 CE LYS A 96 -4.950 -5.804 10.495 1.00 0.00 C ATOM 1124 NZ LYS A 96 -5.932 -5.185 11.426 1.00 0.00 N ATOM 0 H LYS A 96 -5.824 -1.612 7.638 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.787 -3.607 7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.942 -2.597 9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.939 -4.027 9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.790 -5.075 8.015 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.808 -3.638 7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.490 -5.249 9.024 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.910 -3.962 10.137 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.446 -6.578 9.909 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.166 -6.295 11.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.964 -5.731 12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.645 -4.207 11.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.874 -5.184 10.986 1.00 0.00 H new ATOM 1138 N HIS A 97 -8.447 -1.052 9.538 1.00 0.00 N ATOM 1139 CA HIS A 97 -9.498 -0.383 10.294 1.00 0.00 C ATOM 1140 C HIS A 97 -10.433 0.374 9.361 1.00 0.00 C ATOM 1141 O HIS A 97 -11.635 0.469 9.609 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.885 0.583 11.307 1.00 0.00 C ATOM 1143 CG HIS A 97 -9.893 1.226 12.210 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -10.716 0.508 13.051 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -10.206 2.529 12.401 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -11.493 1.341 13.719 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -11.204 2.573 13.344 1.00 0.00 N ATOM 0 H HIS A 97 -7.580 -0.519 9.465 1.00 0.00 H new ATOM 0 HA HIS A 97 -10.073 -1.142 10.825 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.157 0.045 11.914 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.341 1.361 10.771 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.755 3.376 11.905 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -12.239 1.061 14.449 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -11.649 3.420 13.697 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.862 0.919 8.293 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.629 1.685 7.314 1.00 0.00 C ATOM 1158 C TYR A 98 -11.847 0.904 6.836 1.00 0.00 C ATOM 1159 O TYR A 98 -12.942 1.455 6.723 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.749 2.056 6.117 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.453 2.897 5.076 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -11.141 4.052 5.433 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -10.430 2.538 3.734 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -11.785 4.821 4.484 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.072 3.303 2.779 1.00 0.00 C ATOM 1166 CZ TYR A 98 -11.747 4.443 3.158 1.00 0.00 C ATOM 1167 OH TYR A 98 -12.387 5.208 2.210 1.00 0.00 O ATOM 0 H TYR A 98 -8.867 0.845 8.081 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.974 2.597 7.802 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.874 2.597 6.476 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.387 1.141 5.647 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.172 4.352 6.470 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.901 1.646 3.432 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.316 5.714 4.779 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.045 3.009 1.740 1.00 0.00 H new ATOM 0 HH TYR A 98 -12.263 4.804 1.326 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.651 -0.380 6.552 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.751 -1.204 6.088 1.00 0.00 C ATOM 1179 C GLY A 99 -12.316 -2.595 5.675 1.00 0.00 C ATOM 1180 O GLY A 99 -12.969 -3.581 6.017 1.00 0.00 O ATOM 0 H GLY A 99 -10.756 -0.862 6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.497 -1.283 6.878 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.233 -0.714 5.242 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.217 -2.677 4.932 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.709 -3.961 4.468 1.00 0.00 C ATOM 1186 C VAL A 100 -10.413 -4.885 5.645 1.00 0.00 C ATOM 1187 O VAL A 100 -9.708 -4.506 6.582 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.433 -3.792 3.622 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.069 -5.106 2.945 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -9.618 -2.695 2.584 1.00 0.00 C ATOM 0 H VAL A 100 -10.663 -1.872 4.640 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.485 -4.405 3.845 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.617 -3.503 4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.165 -4.971 2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.894 -5.870 3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.887 -5.420 2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.705 -2.592 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.446 -2.954 1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.835 -1.752 3.086 1.00 0.00 H new ATOM 1200 N LYS A 101 -10.959 -6.095 5.592 1.00 0.00 N ATOM 1201 CA LYS A 101 -10.760 -7.075 6.655 1.00 0.00 C ATOM 1202 C LYS A 101 -9.301 -7.520 6.728 1.00 0.00 C ATOM 1203 O LYS A 101 -8.661 -7.740 5.701 1.00 0.00 O ATOM 1204 CB LYS A 101 -11.662 -8.289 6.431 1.00 0.00 C ATOM 1205 CG LYS A 101 -13.145 -7.950 6.404 1.00 0.00 C ATOM 1206 CD LYS A 101 -14.001 -9.185 6.168 1.00 0.00 C ATOM 1207 CE LYS A 101 -13.846 -10.199 7.291 1.00 0.00 C ATOM 1208 NZ LYS A 101 -14.248 -9.636 8.609 1.00 0.00 N ATOM 0 H LYS A 101 -11.544 -6.422 4.823 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.022 -6.601 7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.389 -8.765 5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.479 -9.018 7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.429 -7.485 7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.337 -7.219 5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.048 -8.892 6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.722 -9.646 5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.452 -11.078 7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.809 -10.531 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.340 -10.406 9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.525 -8.962 8.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -15.160 -9.146 8.513 1.00 0.00 H new ATOM 1222 N PRO A 102 -8.755 -7.661 7.952 1.00 0.00 N ATOM 1223 CA PRO A 102 -7.366 -8.086 8.154 1.00 0.00 C ATOM 1224 C PRO A 102 -7.054 -9.393 7.433 1.00 0.00 C ATOM 1225 O PRO A 102 -5.996 -9.540 6.821 1.00 0.00 O ATOM 1226 CB PRO A 102 -7.263 -8.275 9.669 1.00 0.00 C ATOM 1227 CG PRO A 102 -8.338 -7.414 10.235 1.00 0.00 C ATOM 1228 CD PRO A 102 -9.449 -7.419 9.230 1.00 0.00 C ATOM 0 HA PRO A 102 -6.657 -7.360 7.755 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.405 -9.319 9.948 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.282 -7.977 10.039 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.680 -7.799 11.196 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.975 -6.401 10.409 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -10.180 -8.199 9.444 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.987 -6.471 9.222 1.00 0.00 H new ATOM 1236 N HIS A 103 -7.988 -10.336 7.506 1.00 0.00 N ATOM 1237 CA HIS A 103 -7.826 -11.632 6.857 1.00 0.00 C ATOM 1238 C HIS A 103 -7.610 -11.460 5.358 1.00 0.00 C ATOM 1239 O HIS A 103 -7.029 -12.323 4.698 1.00 0.00 O ATOM 1240 CB HIS A 103 -9.050 -12.514 7.113 1.00 0.00 C ATOM 1241 CG HIS A 103 -9.286 -12.821 8.561 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -10.343 -13.588 9.003 1.00 0.00 N ATOM 1243 CD2 HIS A 103 -8.595 -12.462 9.671 1.00 0.00 C ATOM 1244 CE1 HIS A 103 -10.293 -13.688 10.320 1.00 0.00 C ATOM 1245 NE2 HIS A 103 -9.241 -13.015 10.749 1.00 0.00 N ATOM 0 H HIS A 103 -8.868 -10.226 8.010 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.947 -12.118 7.281 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.933 -12.019 6.708 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -8.931 -13.450 6.568 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -7.703 -11.854 9.702 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -10.993 -14.228 10.940 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.955 -12.921 11.723 1.00 0.00 H new ATOM 1254 N ASP A 104 -8.076 -10.333 4.830 1.00 0.00 N ATOM 1255 CA ASP A 104 -7.933 -10.027 3.416 1.00 0.00 C ATOM 1256 C ASP A 104 -6.923 -8.908 3.237 1.00 0.00 C ATOM 1257 O ASP A 104 -7.077 -8.039 2.379 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.282 -9.620 2.822 1.00 0.00 C ATOM 1259 CG ASP A 104 -10.305 -10.738 2.880 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -9.964 -11.831 3.381 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -11.447 -10.522 2.424 1.00 0.00 O ATOM 0 H ASP A 104 -8.559 -9.613 5.367 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.580 -10.916 2.893 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.665 -8.753 3.360 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.141 -9.315 1.785 1.00 0.00 H new ATOM 1266 N ILE A 105 -5.894 -8.934 4.074 1.00 0.00 N ATOM 1267 CA ILE A 105 -4.853 -7.922 4.042 1.00 0.00 C ATOM 1268 C ILE A 105 -3.492 -8.523 4.371 1.00 0.00 C ATOM 1269 O ILE A 105 -3.329 -9.209 5.381 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.157 -6.791 5.042 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.412 -6.029 4.617 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -3.973 -5.851 5.160 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -6.799 -4.913 5.562 1.00 0.00 C ATOM 0 H ILE A 105 -5.760 -9.651 4.787 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.829 -7.515 3.031 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.338 -7.234 6.021 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.253 -5.612 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.243 -6.731 4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.207 -5.059 5.871 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.102 -6.405 5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.758 -5.412 4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.698 -4.419 5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.991 -5.325 6.552 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.986 -4.189 5.622 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.518 -8.255 3.511 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.166 -8.761 3.701 1.00 0.00 C ATOM 1287 C PHE A 106 -0.420 -7.933 4.734 1.00 0.00 C ATOM 1288 O PHE A 106 -0.590 -6.718 4.814 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.401 -8.743 2.380 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.161 -7.357 1.845 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.977 -6.650 2.199 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -1.077 -6.760 0.997 1.00 0.00 C ATOM 1293 CE1 PHE A 106 1.195 -5.373 1.716 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -0.864 -5.485 0.509 1.00 0.00 C ATOM 1295 CZ PHE A 106 0.274 -4.790 0.869 1.00 0.00 C ATOM 0 H PHE A 106 -2.640 -7.688 2.672 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.238 -9.788 4.060 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.558 -9.242 2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.956 -9.319 1.640 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.702 -7.102 2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.970 -7.297 0.713 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.085 -4.832 2.001 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.587 -5.032 -0.153 1.00 0.00 H new ATOM 0 HZ PHE A 106 0.443 -3.793 0.489 1.00 0.00 H new ATOM 1305 N GLU A 107 0.420 -8.597 5.509 1.00 0.00 N ATOM 1306 CA GLU A 107 1.211 -7.915 6.523 1.00 0.00 C ATOM 1307 C GLU A 107 2.465 -7.314 5.906 1.00 0.00 C ATOM 1308 O GLU A 107 2.889 -7.717 4.824 1.00 0.00 O ATOM 1309 CB GLU A 107 1.581 -8.859 7.660 1.00 0.00 C ATOM 1310 CG GLU A 107 0.390 -9.264 8.506 1.00 0.00 C ATOM 1311 CD GLU A 107 -0.475 -10.325 7.852 1.00 0.00 C ATOM 1312 OE1 GLU A 107 -0.098 -10.819 6.769 1.00 0.00 O ATOM 1313 OE2 GLU A 107 -1.527 -10.670 8.431 1.00 0.00 O ATOM 0 H GLU A 107 0.573 -9.604 5.457 1.00 0.00 H new ATOM 0 HA GLU A 107 0.603 -7.110 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.046 -9.753 7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.325 -8.379 8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.745 -9.636 9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.219 -8.383 8.710 1.00 0.00 H new ATOM 1320 N ALA A 108 3.046 -6.341 6.597 1.00 0.00 N ATOM 1321 CA ALA A 108 4.248 -5.674 6.117 1.00 0.00 C ATOM 1322 C ALA A 108 5.310 -6.679 5.684 1.00 0.00 C ATOM 1323 O ALA A 108 6.063 -6.430 4.743 1.00 0.00 O ATOM 1324 CB ALA A 108 4.797 -4.748 7.191 1.00 0.00 C ATOM 0 H ALA A 108 2.703 -5.996 7.493 1.00 0.00 H new ATOM 0 HA ALA A 108 3.978 -5.083 5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.696 -4.255 6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.048 -3.997 7.442 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.042 -5.328 8.081 1.00 0.00 H new ATOM 1330 N ASN A 109 5.371 -7.813 6.375 1.00 0.00 N ATOM 1331 CA ASN A 109 6.345 -8.845 6.061 1.00 0.00 C ATOM 1332 C ASN A 109 6.028 -9.533 4.733 1.00 0.00 C ATOM 1333 O ASN A 109 6.934 -9.916 3.994 1.00 0.00 O ATOM 1334 CB ASN A 109 6.399 -9.870 7.192 1.00 0.00 C ATOM 1335 CG ASN A 109 5.066 -10.548 7.437 1.00 0.00 C ATOM 1336 OD1 ASN A 109 4.556 -11.268 6.579 1.00 0.00 O ATOM 1337 ND2 ASN A 109 4.493 -10.320 8.613 1.00 0.00 N ATOM 0 H ASN A 109 4.755 -8.038 7.156 1.00 0.00 H new ATOM 0 HA ASN A 109 7.320 -8.369 5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 109 7.147 -10.626 6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.724 -9.376 8.108 1.00 0.00 H new ATOM 0 HD21 ASN A 109 3.594 -10.749 8.834 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.951 -9.716 9.295 1.00 0.00 H new ATOM 1344 N ASP A 110 4.741 -9.693 4.436 1.00 0.00 N ATOM 1345 CA ASP A 110 4.317 -10.342 3.196 1.00 0.00 C ATOM 1346 C ASP A 110 4.879 -9.618 1.976 1.00 0.00 C ATOM 1347 O ASP A 110 5.426 -10.244 1.068 1.00 0.00 O ATOM 1348 CB ASP A 110 2.788 -10.385 3.110 1.00 0.00 C ATOM 1349 CG ASP A 110 2.157 -11.106 4.285 1.00 0.00 C ATOM 1350 OD1 ASP A 110 2.364 -10.664 5.432 1.00 0.00 O ATOM 1351 OD2 ASP A 110 1.453 -12.111 4.058 1.00 0.00 O ATOM 0 H ASP A 110 3.975 -9.384 5.034 1.00 0.00 H new ATOM 0 HA ASP A 110 4.706 -11.360 3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.402 -9.367 3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.494 -10.880 2.184 1.00 0.00 H new ATOM 1356 N LEU A 111 4.734 -8.297 1.959 1.00 0.00 N ATOM 1357 CA LEU A 111 5.218 -7.481 0.849 1.00 0.00 C ATOM 1358 C LEU A 111 6.735 -7.310 0.898 1.00 0.00 C ATOM 1359 O LEU A 111 7.418 -7.463 -0.115 1.00 0.00 O ATOM 1360 CB LEU A 111 4.537 -6.108 0.882 1.00 0.00 C ATOM 1361 CG LEU A 111 4.972 -5.129 -0.214 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.614 -5.665 -1.592 1.00 0.00 C ATOM 1363 CD2 LEU A 111 4.328 -3.769 0.009 1.00 0.00 C ATOM 0 H LEU A 111 4.283 -7.766 2.704 1.00 0.00 H new ATOM 0 HA LEU A 111 4.970 -7.994 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.459 -6.254 0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.730 -5.649 1.852 1.00 0.00 H new ATOM 0 HG LEU A 111 6.055 -5.017 -0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.933 -4.953 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.117 -6.618 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.535 -5.808 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.645 -3.083 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.243 -3.872 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.634 -3.376 0.979 1.00 0.00 H new ATOM 1375 N PHE A 112 7.253 -6.976 2.076 1.00 0.00 N ATOM 1376 CA PHE A 112 8.688 -6.764 2.253 1.00 0.00 C ATOM 1377 C PHE A 112 9.485 -8.039 1.986 1.00 0.00 C ATOM 1378 O PHE A 112 10.324 -8.080 1.085 1.00 0.00 O ATOM 1379 CB PHE A 112 8.975 -6.266 3.673 1.00 0.00 C ATOM 1380 CG PHE A 112 10.425 -5.962 3.927 1.00 0.00 C ATOM 1381 CD1 PHE A 112 11.136 -5.133 3.072 1.00 0.00 C ATOM 1382 CD2 PHE A 112 11.077 -6.501 5.024 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.468 -4.852 3.306 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.409 -6.223 5.263 1.00 0.00 C ATOM 1385 CZ PHE A 112 13.105 -5.397 4.403 1.00 0.00 C ATOM 0 H PHE A 112 6.701 -6.846 2.924 1.00 0.00 H new ATOM 0 HA PHE A 112 9.001 -6.012 1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.387 -5.367 3.859 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.641 -7.019 4.387 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.642 -4.702 2.213 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.537 -7.147 5.701 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.011 -4.206 2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 112 12.905 -6.651 6.121 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.146 -5.178 4.588 1.00 0.00 H new ATOM 1395 N GLU A 113 9.226 -9.075 2.778 1.00 0.00 N ATOM 1396 CA GLU A 113 9.925 -10.347 2.633 1.00 0.00 C ATOM 1397 C GLU A 113 9.449 -11.104 1.398 1.00 0.00 C ATOM 1398 O GLU A 113 10.014 -12.136 1.037 1.00 0.00 O ATOM 1399 CB GLU A 113 9.727 -11.205 3.881 1.00 0.00 C ATOM 1400 CG GLU A 113 10.294 -10.577 5.143 1.00 0.00 C ATOM 1401 CD GLU A 113 11.801 -10.396 5.090 1.00 0.00 C ATOM 1402 OE1 GLU A 113 12.418 -10.806 4.084 1.00 0.00 O ATOM 1403 OE2 GLU A 113 12.365 -9.847 6.060 1.00 0.00 O ATOM 0 H GLU A 113 8.535 -9.058 3.528 1.00 0.00 H new ATOM 0 HA GLU A 113 10.987 -10.132 2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.662 -11.387 4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 113 10.198 -12.175 3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.823 -9.607 5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 113 10.038 -11.201 5.999 1.00 0.00 H new ATOM 1410 N ASN A 114 8.400 -10.589 0.763 1.00 0.00 N ATOM 1411 CA ASN A 114 7.835 -11.219 -0.425 1.00 0.00 C ATOM 1412 C ASN A 114 7.343 -12.625 -0.101 1.00 0.00 C ATOM 1413 O ASN A 114 7.308 -13.500 -0.966 1.00 0.00 O ATOM 1414 CB ASN A 114 8.875 -11.277 -1.548 1.00 0.00 C ATOM 1415 CG ASN A 114 9.390 -9.905 -1.933 1.00 0.00 C ATOM 1416 OD1 ASN A 114 10.696 -9.707 -1.799 1.00 0.00 O flip ATOM 1417 ND2 ASN A 114 8.624 -9.034 -2.347 1.00 0.00 N flip ATOM 0 H ASN A 114 7.923 -9.735 1.053 1.00 0.00 H new ATOM 0 HA ASN A 114 6.989 -10.618 -0.759 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.712 -11.900 -1.232 1.00 0.00 H new ATOM 0 HB3 ASN A 114 8.434 -11.755 -2.423 1.00 0.00 H new ATOM 0 HD21 ASN A 114 7.627 -9.231 -2.434 1.00 0.00 H new ATOM 0 HD22 ASN A 114 8.987 -8.116 -2.603 1.00 0.00 H new ATOM 1424 N THR A 115 6.960 -12.830 1.155 1.00 0.00 N ATOM 1425 CA THR A 115 6.465 -14.124 1.607 1.00 0.00 C ATOM 1426 C THR A 115 5.065 -14.395 1.069 1.00 0.00 C ATOM 1427 O THR A 115 4.682 -15.545 0.853 1.00 0.00 O ATOM 1428 CB THR A 115 6.438 -14.216 3.143 1.00 0.00 C ATOM 1429 OG1 THR A 115 5.605 -13.183 3.683 1.00 0.00 O ATOM 1430 CG2 THR A 115 7.842 -14.094 3.717 1.00 0.00 C ATOM 0 H THR A 115 6.983 -12.113 1.880 1.00 0.00 H new ATOM 0 HA THR A 115 7.154 -14.875 1.220 1.00 0.00 H new ATOM 0 HB THR A 115 6.032 -15.189 3.419 1.00 0.00 H new ATOM 0 HG1 THR A 115 5.592 -13.250 4.661 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.798 -14.162 4.804 1.00 0.00 H new ATOM 0 HG22 THR A 115 8.465 -14.899 3.328 1.00 0.00 H new ATOM 0 HG23 THR A 115 8.270 -13.133 3.431 1.00 0.00 H new ATOM 1438 N ASN A 116 4.299 -13.327 0.865 1.00 0.00 N ATOM 1439 CA ASN A 116 2.935 -13.448 0.366 1.00 0.00 C ATOM 1440 C ASN A 116 2.588 -12.275 -0.549 1.00 0.00 C ATOM 1441 O ASN A 116 1.567 -11.610 -0.366 1.00 0.00 O ATOM 1442 CB ASN A 116 1.956 -13.510 1.542 1.00 0.00 C ATOM 1443 CG ASN A 116 0.542 -13.870 1.125 1.00 0.00 C ATOM 1444 OD1 ASN A 116 0.343 -14.136 -0.161 1.00 0.00 O flip ATOM 1445 ND2 ASN A 116 -0.366 -13.916 1.956 1.00 0.00 N flip ATOM 0 H ASN A 116 4.601 -12.368 1.038 1.00 0.00 H new ATOM 0 HA ASN A 116 2.856 -14.367 -0.214 1.00 0.00 H new ATOM 0 HB2 ASN A 116 2.313 -14.244 2.265 1.00 0.00 H new ATOM 0 HB3 ASN A 116 1.944 -12.544 2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -0.173 -13.705 2.935 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -1.311 -14.165 1.665 1.00 0.00 H new ATOM 1452 N HIS A 117 3.450 -12.026 -1.531 1.00 0.00 N ATOM 1453 CA HIS A 117 3.247 -10.932 -2.476 1.00 0.00 C ATOM 1454 C HIS A 117 1.933 -11.084 -3.239 1.00 0.00 C ATOM 1455 O HIS A 117 1.280 -10.092 -3.555 1.00 0.00 O ATOM 1456 CB HIS A 117 4.422 -10.848 -3.453 1.00 0.00 C ATOM 1457 CG HIS A 117 4.759 -12.151 -4.104 1.00 0.00 C ATOM 1458 ND1 HIS A 117 3.890 -12.834 -4.928 1.00 0.00 N ATOM 1459 CD2 HIS A 117 5.885 -12.899 -4.043 1.00 0.00 C ATOM 1460 CE1 HIS A 117 4.466 -13.947 -5.346 1.00 0.00 C ATOM 1461 NE2 HIS A 117 5.678 -14.010 -4.823 1.00 0.00 N ATOM 0 H HIS A 117 4.298 -12.569 -1.693 1.00 0.00 H new ATOM 0 HA HIS A 117 3.193 -10.006 -1.904 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.188 -10.116 -4.226 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.299 -10.481 -2.921 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.780 -12.666 -3.485 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.022 -14.680 -6.003 1.00 0.00 H new ATOM 0 HE2 HIS A 117 6.351 -14.762 -4.974 1.00 0.00 H new ATOM 1470 N THR A 118 1.545 -12.322 -3.531 1.00 0.00 N ATOM 1471 CA THR A 118 0.300 -12.573 -4.251 1.00 0.00 C ATOM 1472 C THR A 118 -0.866 -11.905 -3.537 1.00 0.00 C ATOM 1473 O THR A 118 -1.739 -11.305 -4.164 1.00 0.00 O ATOM 1474 CB THR A 118 0.019 -14.081 -4.392 1.00 0.00 C ATOM 1475 OG1 THR A 118 -1.151 -14.290 -5.191 1.00 0.00 O ATOM 1476 CG2 THR A 118 -0.171 -14.737 -3.033 1.00 0.00 C ATOM 0 H THR A 118 2.069 -13.161 -3.283 1.00 0.00 H new ATOM 0 HA THR A 118 0.410 -12.151 -5.250 1.00 0.00 H new ATOM 0 HB THR A 118 0.882 -14.537 -4.877 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.321 -15.251 -5.277 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.368 -15.801 -3.167 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.732 -14.607 -2.437 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.014 -14.274 -2.520 1.00 0.00 H new ATOM 1484 N GLN A 119 -0.858 -12.009 -2.215 1.00 0.00 N ATOM 1485 CA GLN A 119 -1.895 -11.412 -1.386 1.00 0.00 C ATOM 1486 C GLN A 119 -1.954 -9.904 -1.606 1.00 0.00 C ATOM 1487 O GLN A 119 -3.017 -9.294 -1.513 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.627 -11.719 0.088 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.641 -11.107 1.038 1.00 0.00 C ATOM 1490 CD GLN A 119 -4.056 -11.580 0.770 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -4.345 -12.776 0.828 1.00 0.00 O ATOM 1492 NE2 GLN A 119 -4.947 -10.643 0.475 1.00 0.00 N ATOM 0 H GLN A 119 -0.138 -12.506 -1.691 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.857 -11.840 -1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.619 -12.800 0.228 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.633 -11.356 0.350 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -2.368 -11.356 2.063 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.603 -10.021 0.952 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.664 -9.664 0.438 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.915 -10.902 0.285 1.00 0.00 H new ATOM 1501 N VAL A 120 -0.799 -9.310 -1.894 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.706 -7.872 -2.126 1.00 0.00 C ATOM 1503 C VAL A 120 -1.645 -7.425 -3.243 1.00 0.00 C ATOM 1504 O VAL A 120 -2.366 -6.437 -3.100 1.00 0.00 O ATOM 1505 CB VAL A 120 0.736 -7.458 -2.485 1.00 0.00 C ATOM 1506 CG1 VAL A 120 0.802 -5.986 -2.860 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.685 -7.768 -1.337 1.00 0.00 C ATOM 0 H VAL A 120 0.089 -9.805 -1.972 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.001 -7.383 -1.197 1.00 0.00 H new ATOM 0 HB VAL A 120 1.049 -8.039 -3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.829 -5.720 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.160 -5.801 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.464 -5.381 -2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.697 -7.469 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.372 -7.220 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.667 -8.838 -1.129 1.00 0.00 H new ATOM 1517 N GLN A 121 -1.629 -8.153 -4.355 1.00 0.00 N ATOM 1518 CA GLN A 121 -2.464 -7.836 -5.491 1.00 0.00 C ATOM 1519 C GLN A 121 -3.945 -7.897 -5.124 1.00 0.00 C ATOM 1520 O GLN A 121 -4.715 -6.996 -5.456 1.00 0.00 O ATOM 1521 CB GLN A 121 -2.162 -8.814 -6.621 1.00 0.00 C ATOM 1522 CG GLN A 121 -2.976 -8.554 -7.861 1.00 0.00 C ATOM 1523 CD GLN A 121 -2.675 -9.531 -8.981 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -1.542 -9.619 -9.455 1.00 0.00 O ATOM 1525 NE2 GLN A 121 -3.691 -10.271 -9.410 1.00 0.00 N ATOM 0 H GLN A 121 -1.038 -8.974 -4.486 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.245 -6.818 -5.813 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -1.103 -8.756 -6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -2.353 -9.830 -6.275 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -4.036 -8.610 -7.612 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -2.784 -7.539 -8.210 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -4.613 -10.165 -8.988 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -3.549 -10.946 -10.162 1.00 0.00 H new ATOM 1534 N SER A 122 -4.335 -8.969 -4.441 1.00 0.00 N ATOM 1535 CA SER A 122 -5.725 -9.154 -4.034 1.00 0.00 C ATOM 1536 C SER A 122 -6.159 -8.092 -3.024 1.00 0.00 C ATOM 1537 O SER A 122 -7.288 -7.604 -3.073 1.00 0.00 O ATOM 1538 CB SER A 122 -5.921 -10.549 -3.436 1.00 0.00 C ATOM 1539 OG SER A 122 -5.100 -10.739 -2.298 1.00 0.00 O ATOM 0 H SER A 122 -3.709 -9.723 -4.158 1.00 0.00 H new ATOM 0 HA SER A 122 -6.346 -9.050 -4.923 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.967 -10.685 -3.160 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.688 -11.305 -4.186 1.00 0.00 H new ATOM 0 HG SER A 122 -4.362 -10.095 -2.316 1.00 0.00 H new ATOM 1545 N THR A 123 -5.261 -7.746 -2.106 1.00 0.00 N ATOM 1546 CA THR A 123 -5.554 -6.752 -1.078 1.00 0.00 C ATOM 1547 C THR A 123 -5.968 -5.416 -1.689 1.00 0.00 C ATOM 1548 O THR A 123 -6.960 -4.817 -1.273 1.00 0.00 O ATOM 1549 CB THR A 123 -4.344 -6.529 -0.151 1.00 0.00 C ATOM 1550 OG1 THR A 123 -4.003 -7.754 0.509 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.643 -5.458 0.888 1.00 0.00 C ATOM 0 H THR A 123 -4.322 -8.141 -2.053 1.00 0.00 H new ATOM 0 HA THR A 123 -6.385 -7.146 -0.493 1.00 0.00 H new ATOM 0 HB THR A 123 -3.505 -6.195 -0.762 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.492 -8.324 -0.103 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.773 -5.320 1.529 1.00 0.00 H new ATOM 0 HG22 THR A 123 -4.876 -4.519 0.386 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.495 -5.767 1.494 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.205 -4.953 -2.675 1.00 0.00 N ATOM 1560 CA LEU A 124 -5.504 -3.686 -3.336 1.00 0.00 C ATOM 1561 C LEU A 124 -6.925 -3.688 -3.891 1.00 0.00 C ATOM 1562 O LEU A 124 -7.634 -2.686 -3.812 1.00 0.00 O ATOM 1563 CB LEU A 124 -4.500 -3.418 -4.462 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.060 -3.161 -4.008 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.151 -2.962 -5.211 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -2.997 -1.952 -3.086 1.00 0.00 C ATOM 0 H LEU A 124 -4.379 -5.433 -3.033 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.422 -2.890 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.503 -4.272 -5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -4.842 -2.556 -5.034 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.713 -4.033 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.132 -2.780 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.172 -3.856 -5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.497 -2.107 -5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -1.966 -1.786 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.363 -1.072 -3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.617 -2.131 -2.208 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.332 -4.822 -4.452 1.00 0.00 N ATOM 1579 CA ILE A 125 -8.667 -4.962 -5.020 1.00 0.00 C ATOM 1580 C ILE A 125 -9.745 -4.748 -3.960 1.00 0.00 C ATOM 1581 O ILE A 125 -10.742 -4.070 -4.203 1.00 0.00 O ATOM 1582 CB ILE A 125 -8.859 -6.353 -5.655 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -7.779 -6.607 -6.709 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.247 -6.469 -6.270 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -7.837 -7.991 -7.318 1.00 0.00 C ATOM 0 H ILE A 125 -6.754 -5.659 -4.525 1.00 0.00 H new ATOM 0 HA ILE A 125 -8.765 -4.198 -5.791 1.00 0.00 H new ATOM 0 HB ILE A 125 -8.766 -7.109 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.877 -5.866 -7.503 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.799 -6.460 -6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -10.367 -7.457 -6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.001 -6.325 -5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -10.368 -5.708 -7.041 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.042 -8.097 -8.056 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -7.708 -8.739 -6.535 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -8.803 -8.135 -7.802 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.537 -5.336 -2.785 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.490 -5.215 -1.686 1.00 0.00 C ATOM 1599 C ALA A 126 -10.687 -3.758 -1.280 1.00 0.00 C ATOM 1600 O ALA A 126 -11.811 -3.319 -1.033 1.00 0.00 O ATOM 1601 CB ALA A 126 -10.026 -6.039 -0.495 1.00 0.00 C ATOM 0 H ALA A 126 -8.716 -5.902 -2.569 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.451 -5.598 -2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.745 -5.940 0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -9.948 -7.087 -0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.051 -5.681 -0.163 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.586 -3.015 -1.207 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.634 -1.607 -0.826 1.00 0.00 C ATOM 1609 C LEU A 127 -10.554 -0.820 -1.754 1.00 0.00 C ATOM 1610 O LEU A 127 -11.214 0.130 -1.332 1.00 0.00 O ATOM 1611 CB LEU A 127 -8.227 -1.003 -0.848 1.00 0.00 C ATOM 1612 CG LEU A 127 -8.136 0.449 -0.372 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -8.620 0.571 1.066 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -6.710 0.963 -0.500 1.00 0.00 C ATOM 0 H LEU A 127 -8.649 -3.365 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 127 -10.033 -1.545 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.576 -1.615 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.840 -1.061 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 127 -8.780 1.060 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -8.548 1.610 1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -9.657 0.242 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -8.002 -0.052 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.664 1.997 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.046 0.349 0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.397 0.912 -1.543 1.00 0.00 H new ATOM 1626 N ALA A 128 -10.591 -1.223 -3.021 1.00 0.00 N ATOM 1627 CA ALA A 128 -11.426 -0.560 -4.016 1.00 0.00 C ATOM 1628 C ALA A 128 -12.885 -0.524 -3.573 1.00 0.00 C ATOM 1629 O ALA A 128 -13.571 0.482 -3.748 1.00 0.00 O ATOM 1630 CB ALA A 128 -11.300 -1.258 -5.361 1.00 0.00 C ATOM 0 H ALA A 128 -10.050 -2.008 -3.383 1.00 0.00 H new ATOM 0 HA ALA A 128 -11.078 0.468 -4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.929 -0.752 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -10.262 -1.227 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.619 -2.296 -5.264 1.00 0.00 H new ATOM 1636 N SER A 129 -13.350 -1.628 -2.997 1.00 0.00 N ATOM 1637 CA SER A 129 -14.726 -1.724 -2.524 1.00 0.00 C ATOM 1638 C SER A 129 -15.029 -0.626 -1.511 1.00 0.00 C ATOM 1639 O SER A 129 -16.143 -0.105 -1.455 1.00 0.00 O ATOM 1640 CB SER A 129 -14.978 -3.097 -1.897 1.00 0.00 C ATOM 1641 OG SER A 129 -14.761 -4.135 -2.836 1.00 0.00 O ATOM 0 H SER A 129 -12.793 -2.469 -2.847 1.00 0.00 H new ATOM 0 HA SER A 129 -15.388 -1.597 -3.380 1.00 0.00 H new ATOM 0 HB2 SER A 129 -14.319 -3.235 -1.040 1.00 0.00 H new ATOM 0 HB3 SER A 129 -16.001 -3.148 -1.524 1.00 0.00 H new ATOM 0 HG SER A 129 -14.927 -5.002 -2.410 1.00 0.00 H new ATOM 1647 N GLN A 130 -14.028 -0.281 -0.708 1.00 0.00 N ATOM 1648 CA GLN A 130 -14.172 0.749 0.304 1.00 0.00 C ATOM 1649 C GLN A 130 -14.199 2.142 -0.312 1.00 0.00 C ATOM 1650 O GLN A 130 -15.056 2.963 0.015 1.00 0.00 O ATOM 1651 CB GLN A 130 -13.018 0.645 1.288 1.00 0.00 C ATOM 1652 CG GLN A 130 -13.239 -0.363 2.409 1.00 0.00 C ATOM 1653 CD GLN A 130 -13.507 -1.768 1.913 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -14.464 -2.014 1.178 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -12.668 -2.704 2.329 1.00 0.00 N ATOM 0 H GLN A 130 -13.102 -0.707 -0.743 1.00 0.00 H new ATOM 0 HA GLN A 130 -15.121 0.595 0.817 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -12.114 0.372 0.743 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.841 1.627 1.728 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -12.361 -0.375 3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -14.080 -0.036 3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -11.888 -2.456 2.938 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -12.802 -3.673 2.041 1.00 0.00 H new ATOM 1664 N ALA A 131 -13.241 2.404 -1.190 1.00 0.00 N ATOM 1665 CA ALA A 131 -13.127 3.701 -1.844 1.00 0.00 C ATOM 1666 C ALA A 131 -14.364 4.044 -2.670 1.00 0.00 C ATOM 1667 O ALA A 131 -14.848 5.176 -2.627 1.00 0.00 O ATOM 1668 CB ALA A 131 -11.881 3.727 -2.711 1.00 0.00 C ATOM 0 H ALA A 131 -12.527 1.731 -1.468 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.047 4.461 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -11.798 4.698 -3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -11.002 3.557 -2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -11.948 2.945 -3.467 1.00 0.00 H new ATOM 1674 N LYS A 132 -14.874 3.074 -3.424 1.00 0.00 N ATOM 1675 CA LYS A 132 -16.054 3.304 -4.253 1.00 0.00 C ATOM 1676 C LYS A 132 -17.221 3.787 -3.398 1.00 0.00 C ATOM 1677 O LYS A 132 -17.958 4.693 -3.789 1.00 0.00 O ATOM 1678 CB LYS A 132 -16.446 2.033 -5.014 1.00 0.00 C ATOM 1679 CG LYS A 132 -16.891 0.890 -4.119 1.00 0.00 C ATOM 1680 CD LYS A 132 -17.330 -0.317 -4.935 1.00 0.00 C ATOM 1681 CE LYS A 132 -17.833 -1.441 -4.044 1.00 0.00 C ATOM 1682 NZ LYS A 132 -18.268 -2.625 -4.836 1.00 0.00 N ATOM 0 H LYS A 132 -14.493 2.129 -3.478 1.00 0.00 H new ATOM 0 HA LYS A 132 -15.808 4.077 -4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -17.251 2.272 -5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -15.596 1.703 -5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -16.073 0.605 -3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -17.714 1.221 -3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -18.117 -0.021 -5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -16.494 -0.675 -5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -17.044 -1.737 -3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -18.667 -1.081 -3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -18.604 -3.369 -4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -19.038 -2.349 -5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -17.466 -2.985 -5.392 1.00 0.00 H new ATOM 1696 N THR A 133 -17.376 3.180 -2.225 1.00 0.00 N ATOM 1697 CA THR A 133 -18.444 3.550 -1.306 1.00 0.00 C ATOM 1698 C THR A 133 -18.254 4.978 -0.804 1.00 0.00 C ATOM 1699 O THR A 133 -19.222 5.711 -0.603 1.00 0.00 O ATOM 1700 CB THR A 133 -18.505 2.591 -0.102 1.00 0.00 C ATOM 1701 OG1 THR A 133 -18.690 1.244 -0.555 1.00 0.00 O ATOM 1702 CG2 THR A 133 -19.640 2.970 0.838 1.00 0.00 C ATOM 0 H THR A 133 -16.774 2.428 -1.889 1.00 0.00 H new ATOM 0 HA THR A 133 -19.382 3.482 -1.856 1.00 0.00 H new ATOM 0 HB THR A 133 -17.562 2.668 0.440 1.00 0.00 H new ATOM 0 HG1 THR A 133 -17.830 0.876 -0.847 1.00 0.00 H new ATOM 0 HG21 THR A 133 -19.662 2.278 1.680 1.00 0.00 H new ATOM 0 HG22 THR A 133 -19.484 3.984 1.206 1.00 0.00 H new ATOM 0 HG23 THR A 133 -20.588 2.920 0.302 1.00 0.00 H new ATOM 1710 N LYS A 134 -16.995 5.365 -0.609 1.00 0.00 N ATOM 1711 CA LYS A 134 -16.668 6.704 -0.134 1.00 0.00 C ATOM 1712 C LYS A 134 -15.204 7.036 -0.407 1.00 0.00 C ATOM 1713 O LYS A 134 -14.927 8.178 -0.831 1.00 0.00 O ATOM 1714 CB LYS A 134 -16.956 6.839 1.364 1.00 0.00 C ATOM 1715 CG LYS A 134 -16.150 5.890 2.236 1.00 0.00 C ATOM 1716 CD LYS A 134 -16.645 4.462 2.104 1.00 0.00 C ATOM 1717 CE LYS A 134 -15.828 3.505 2.958 1.00 0.00 C ATOM 1718 NZ LYS A 134 -16.309 2.101 2.833 1.00 0.00 N ATOM 1719 OXT LYS A 134 -14.347 6.153 -0.195 1.00 0.00 O ATOM 0 H LYS A 134 -16.185 4.768 -0.773 1.00 0.00 H new ATOM 0 HA LYS A 134 -17.297 7.408 -0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -16.749 7.864 1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -18.018 6.662 1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -15.098 5.940 1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -16.217 6.205 3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -17.693 4.411 2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -16.593 4.153 1.060 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -14.780 3.558 2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -15.880 3.815 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -15.639 1.461 3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -17.244 2.013 3.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -16.380 1.847 1.827 1.00 0.00 H new TER 1733 LYS A 134