USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1105 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 112 MET CE :methyl -153:sc= -0.701 (180deg=-1.9!) USER MOD Set 1.2: A 134 HIS : no HD1:sc= -0.0446 X(o=-1.1,f=-1.3) USER MOD Set 1.3: A 135 MET CE :methyl -104:sc= -0.392 (180deg=-2.16!) USER MOD Set 1.4: A 138 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 85 THR OG1 : rot -148:sc= 1.82 USER MOD Set 2.2: A 98 GLN : amide:sc= -2.19! C(o=-0.37!,f=-7.3!) USER MOD Set 3.1: A 84 SER OG : rot -170:sc= -3.08! USER MOD Set 3.2: A 99 SER OG : rot -5:sc= 0.322 USER MOD Set 4.1: A 29 LYS NZ :NH3+ 159:sc= 1.09 (180deg=0) USER MOD Set 4.2: A 43 TYR OH : rot -104:sc= 2.4 USER MOD Single : A 1 ALA N :NH3+ -120:sc= 0.198 (180deg=0) USER MOD Single : A 5 HIS : no HE2:sc= 0.246 K(o=0.25,f=-2.1) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 12 HIS : no HD1:sc= -0.0973 K(o=-0.097,f=-0.61) USER MOD Single : A 14 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.03) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 61:sc= 0.969 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.225 X(o=-0.23,f=-0.024) USER MOD Single : A 30 HIS : no HD1:sc=-0.00078 X(o=-0.00078,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.076 USER MOD Single : A 36 MET CE :methyl 179:sc= -0.417 (180deg=-0.422) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.59) USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= 0.572 (180deg=0.245) USER MOD Single : A 53 LYS NZ :NH3+ -171:sc=-0.00342 (180deg=-0.0887) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.022 USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.123) USER MOD Single : A 61 GLN : amide:sc=-0.00587 X(o=-0.0059,f=-0.0059) USER MOD Single : A 62 MET CE :methyl -140:sc= -0.0946 (180deg=-2.09!) USER MOD Single : A 66 SER OG : rot 155:sc= 0.941 USER MOD Single : A 69 SER OG : rot -166:sc= -0.884! USER MOD Single : A 70 LYS NZ :NH3+ 153:sc= 1.24 (180deg=0.914) USER MOD Single : A 72 ASN : amide:sc= -0.559 K(o=-0.56,f=-6.1!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HE2:sc= 0.139 K(o=0.14,f=-1.8) USER MOD Single : A 94 SER OG : rot 171:sc= 1.27 USER MOD Single : A 102 GLN : amide:sc= -1.47! K(o=-1.5!,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 113 GLN : amide:sc= -3.8! C(o=-3.8!,f=-2.9!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 118 LYS NZ :NH3+ -166:sc= -0.0205 (180deg=-0.203) USER MOD Single : A 124 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 92:sc= 0.873 USER MOD Single : A 139 SER OG : rot -98:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 27.994 10.735 10.432 1.00 0.00 N ATOM 2 CA ALA A 1 28.967 10.545 9.374 1.00 0.00 C ATOM 3 C ALA A 1 29.355 9.087 9.332 1.00 0.00 C ATOM 4 O ALA A 1 28.842 8.280 10.115 1.00 0.00 O ATOM 5 CB ALA A 1 30.195 11.423 9.614 1.00 0.00 C ATOM 0 H1 ALA A 1 27.111 11.107 10.029 1.00 0.00 H new ATOM 0 H2 ALA A 1 27.805 9.824 10.898 1.00 0.00 H new ATOM 0 H3 ALA A 1 28.367 11.410 11.130 1.00 0.00 H new ATOM 0 HA ALA A 1 28.533 10.835 8.417 1.00 0.00 H new ATOM 0 HB1 ALA A 1 30.915 11.268 8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 1 29.895 12.471 9.635 1.00 0.00 H new ATOM 0 HB3 ALA A 1 30.652 11.157 10.567 1.00 0.00 H new ATOM 13 N GLU A 2 30.225 8.742 8.429 1.00 0.00 N ATOM 14 CA GLU A 2 30.734 7.410 8.320 1.00 0.00 C ATOM 15 C GLU A 2 32.138 7.515 7.781 1.00 0.00 C ATOM 16 O GLU A 2 32.458 8.479 7.069 1.00 0.00 O ATOM 17 CB GLU A 2 29.841 6.548 7.394 1.00 0.00 C ATOM 18 CG GLU A 2 30.242 5.073 7.328 1.00 0.00 C ATOM 19 CD GLU A 2 30.336 4.438 8.701 1.00 0.00 C ATOM 20 OE1 GLU A 2 31.408 4.529 9.336 1.00 0.00 O ATOM 21 OE2 GLU A 2 29.333 3.854 9.186 1.00 0.00 O ATOM 0 H GLU A 2 30.605 9.389 7.738 1.00 0.00 H new ATOM 0 HA GLU A 2 30.735 6.918 9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 2 28.809 6.617 7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 2 29.871 6.966 6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 2 29.514 4.528 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.203 4.983 6.822 1.00 0.00 H new ATOM 28 N VAL A 3 32.969 6.585 8.115 1.00 0.00 N ATOM 29 CA VAL A 3 34.321 6.622 7.650 1.00 0.00 C ATOM 30 C VAL A 3 34.455 5.895 6.336 1.00 0.00 C ATOM 31 O VAL A 3 33.597 5.084 5.964 1.00 0.00 O ATOM 32 CB VAL A 3 35.347 6.097 8.680 1.00 0.00 C ATOM 33 CG1 VAL A 3 35.359 6.993 9.908 1.00 0.00 C ATOM 34 CG2 VAL A 3 35.057 4.652 9.058 1.00 0.00 C ATOM 0 H VAL A 3 32.739 5.788 8.709 1.00 0.00 H new ATOM 0 HA VAL A 3 34.560 7.675 7.501 1.00 0.00 H new ATOM 0 HB VAL A 3 36.337 6.121 8.224 1.00 0.00 H new ATOM 0 HG11 VAL A 3 36.085 6.614 10.628 1.00 0.00 H new ATOM 0 HG12 VAL A 3 35.632 8.007 9.616 1.00 0.00 H new ATOM 0 HG13 VAL A 3 34.368 7.001 10.362 1.00 0.00 H new ATOM 0 HG21 VAL A 3 35.795 4.311 9.784 1.00 0.00 H new ATOM 0 HG22 VAL A 3 34.060 4.583 9.494 1.00 0.00 H new ATOM 0 HG23 VAL A 3 35.107 4.026 8.167 1.00 0.00 H new ATOM 44 N GLU A 4 35.496 6.194 5.643 1.00 0.00 N ATOM 45 CA GLU A 4 35.735 5.641 4.350 1.00 0.00 C ATOM 46 C GLU A 4 36.639 4.437 4.457 1.00 0.00 C ATOM 47 O GLU A 4 37.856 4.553 4.603 1.00 0.00 O ATOM 48 CB GLU A 4 36.297 6.708 3.425 1.00 0.00 C ATOM 49 CG GLU A 4 35.326 7.859 3.206 1.00 0.00 C ATOM 50 CD GLU A 4 35.931 9.008 2.459 1.00 0.00 C ATOM 51 OE1 GLU A 4 36.092 8.923 1.221 1.00 0.00 O ATOM 52 OE2 GLU A 4 36.255 10.029 3.095 1.00 0.00 O ATOM 0 H GLU A 4 36.219 6.840 5.960 1.00 0.00 H new ATOM 0 HA GLU A 4 34.795 5.298 3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 4 37.226 7.095 3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 4 36.544 6.258 2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 4 34.458 7.494 2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 4 34.967 8.212 4.173 1.00 0.00 H new ATOM 59 N HIS A 5 36.027 3.288 4.445 1.00 0.00 N ATOM 60 CA HIS A 5 36.733 2.036 4.562 1.00 0.00 C ATOM 61 C HIS A 5 36.609 1.217 3.309 1.00 0.00 C ATOM 62 O HIS A 5 35.793 1.514 2.435 1.00 0.00 O ATOM 63 CB HIS A 5 36.274 1.221 5.792 1.00 0.00 C ATOM 64 CG HIS A 5 34.773 1.122 5.996 1.00 0.00 C ATOM 65 ND1 HIS A 5 33.881 0.546 5.102 1.00 0.00 N ATOM 66 CD2 HIS A 5 34.017 1.562 7.027 1.00 0.00 C ATOM 67 CE1 HIS A 5 32.654 0.656 5.614 1.00 0.00 C ATOM 68 NE2 HIS A 5 32.682 1.264 6.783 1.00 0.00 N ATOM 0 H HIS A 5 35.016 3.188 4.353 1.00 0.00 H new ATOM 0 HA HIS A 5 37.785 2.283 4.706 1.00 0.00 H new ATOM 0 HB2 HIS A 5 36.677 0.212 5.707 1.00 0.00 H new ATOM 0 HB3 HIS A 5 36.714 1.666 6.684 1.00 0.00 H new ATOM 0 HD1 HIS A 5 34.122 0.114 4.210 1.00 0.00 H new ATOM 0 HD2 HIS A 5 34.393 2.067 7.905 1.00 0.00 H new ATOM 0 HE1 HIS A 5 31.757 0.295 5.134 1.00 0.00 H new ATOM 76 N TYR A 6 37.397 0.176 3.242 1.00 0.00 N ATOM 77 CA TYR A 6 37.417 -0.719 2.110 1.00 0.00 C ATOM 78 C TYR A 6 36.422 -1.840 2.343 1.00 0.00 C ATOM 79 O TYR A 6 36.106 -2.626 1.447 1.00 0.00 O ATOM 80 CB TYR A 6 38.821 -1.278 1.944 1.00 0.00 C ATOM 81 CG TYR A 6 39.885 -0.213 1.712 1.00 0.00 C ATOM 82 CD1 TYR A 6 40.414 0.519 2.776 1.00 0.00 C ATOM 83 CD2 TYR A 6 40.362 0.053 0.436 1.00 0.00 C ATOM 84 CE1 TYR A 6 41.380 1.480 2.570 1.00 0.00 C ATOM 85 CE2 TYR A 6 41.331 1.016 0.222 1.00 0.00 C ATOM 86 CZ TYR A 6 41.835 1.726 1.292 1.00 0.00 C ATOM 87 OH TYR A 6 42.806 2.677 1.088 1.00 0.00 O ATOM 0 H TYR A 6 38.052 -0.079 3.981 1.00 0.00 H new ATOM 0 HA TYR A 6 37.139 -0.185 1.201 1.00 0.00 H new ATOM 0 HB2 TYR A 6 39.081 -1.850 2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 6 38.828 -1.974 1.105 1.00 0.00 H new ATOM 0 HD1 TYR A 6 40.060 0.329 3.779 1.00 0.00 H new ATOM 0 HD2 TYR A 6 39.970 -0.501 -0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 6 41.778 2.037 3.405 1.00 0.00 H new ATOM 0 HE2 TYR A 6 41.691 1.211 -0.777 1.00 0.00 H new ATOM 0 HH TYR A 6 43.018 2.729 0.133 1.00 0.00 H new ATOM 97 N GLU A 7 35.956 -1.909 3.563 1.00 0.00 N ATOM 98 CA GLU A 7 34.945 -2.863 3.983 1.00 0.00 C ATOM 99 C GLU A 7 33.590 -2.502 3.373 1.00 0.00 C ATOM 100 O GLU A 7 33.380 -1.344 2.973 1.00 0.00 O ATOM 101 CB GLU A 7 34.854 -2.855 5.511 1.00 0.00 C ATOM 102 CG GLU A 7 36.136 -3.273 6.186 1.00 0.00 C ATOM 103 CD GLU A 7 36.577 -4.640 5.746 1.00 0.00 C ATOM 104 OE1 GLU A 7 36.093 -5.640 6.308 1.00 0.00 O ATOM 105 OE2 GLU A 7 37.405 -4.741 4.816 1.00 0.00 O ATOM 0 H GLU A 7 36.271 -1.294 4.313 1.00 0.00 H new ATOM 0 HA GLU A 7 35.222 -3.860 3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 7 34.584 -1.854 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 7 34.052 -3.523 5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 7 36.919 -2.548 5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 7 35.997 -3.266 7.267 1.00 0.00 H new ATOM 112 N PRO A 8 32.661 -3.469 3.268 1.00 0.00 N ATOM 113 CA PRO A 8 31.331 -3.213 2.737 1.00 0.00 C ATOM 114 C PRO A 8 30.484 -2.349 3.677 1.00 0.00 C ATOM 115 O PRO A 8 30.902 -2.014 4.793 1.00 0.00 O ATOM 116 CB PRO A 8 30.723 -4.597 2.590 1.00 0.00 C ATOM 117 CG PRO A 8 31.429 -5.421 3.603 1.00 0.00 C ATOM 118 CD PRO A 8 32.830 -4.892 3.649 1.00 0.00 C ATOM 0 HA PRO A 8 31.372 -2.657 1.800 1.00 0.00 H new ATOM 0 HB2 PRO A 8 29.648 -4.580 2.771 1.00 0.00 H new ATOM 0 HB3 PRO A 8 30.871 -4.991 1.584 1.00 0.00 H new ATOM 0 HG2 PRO A 8 30.948 -5.341 4.578 1.00 0.00 H new ATOM 0 HG3 PRO A 8 31.417 -6.476 3.328 1.00 0.00 H new ATOM 0 HD2 PRO A 8 33.268 -4.995 4.642 1.00 0.00 H new ATOM 0 HD3 PRO A 8 33.484 -5.421 2.956 1.00 0.00 H new ATOM 126 N LEU A 9 29.302 -2.029 3.240 1.00 0.00 N ATOM 127 CA LEU A 9 28.441 -1.106 3.955 1.00 0.00 C ATOM 128 C LEU A 9 27.167 -1.832 4.341 1.00 0.00 C ATOM 129 O LEU A 9 26.463 -2.317 3.465 1.00 0.00 O ATOM 130 CB LEU A 9 28.101 0.082 3.011 1.00 0.00 C ATOM 131 CG LEU A 9 27.911 1.492 3.639 1.00 0.00 C ATOM 132 CD1 LEU A 9 26.694 1.575 4.546 1.00 0.00 C ATOM 133 CD2 LEU A 9 29.162 1.918 4.391 1.00 0.00 C ATOM 0 H LEU A 9 28.898 -2.396 2.378 1.00 0.00 H new ATOM 0 HA LEU A 9 28.935 -0.733 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 9 28.895 0.153 2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.185 -0.170 2.476 1.00 0.00 H new ATOM 0 HG LEU A 9 27.737 2.180 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 9 26.613 2.582 4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 9 25.796 1.343 3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 9 26.799 0.859 5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 9 29.008 2.907 4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 9 29.369 1.203 5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 9 30.007 1.950 3.703 1.00 0.00 H new ATOM 145 N GLN A 10 26.916 -1.965 5.631 1.00 0.00 N ATOM 146 CA GLN A 10 25.684 -2.557 6.128 1.00 0.00 C ATOM 147 C GLN A 10 24.534 -1.597 5.943 1.00 0.00 C ATOM 148 O GLN A 10 24.432 -0.590 6.644 1.00 0.00 O ATOM 149 CB GLN A 10 25.789 -2.949 7.605 1.00 0.00 C ATOM 150 CG GLN A 10 26.558 -4.216 7.894 1.00 0.00 C ATOM 151 CD GLN A 10 26.580 -4.565 9.370 1.00 0.00 C ATOM 152 OE1 GLN A 10 26.544 -3.689 10.231 1.00 0.00 O ATOM 153 NE2 GLN A 10 26.598 -5.830 9.681 1.00 0.00 N ATOM 0 H GLN A 10 27.559 -1.666 6.364 1.00 0.00 H new ATOM 0 HA GLN A 10 25.507 -3.465 5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 10 26.260 -2.129 8.147 1.00 0.00 H new ATOM 0 HB3 GLN A 10 24.781 -3.058 8.005 1.00 0.00 H new ATOM 0 HG2 GLN A 10 26.114 -5.041 7.337 1.00 0.00 H new ATOM 0 HG3 GLN A 10 27.582 -4.104 7.536 1.00 0.00 H new ATOM 0 HE21 GLN A 10 26.628 -6.536 8.945 1.00 0.00 H new ATOM 0 HE22 GLN A 10 26.582 -6.115 10.660 1.00 0.00 H new ATOM 162 N VAL A 11 23.717 -1.892 4.988 1.00 0.00 N ATOM 163 CA VAL A 11 22.574 -1.095 4.666 1.00 0.00 C ATOM 164 C VAL A 11 21.334 -1.843 5.076 1.00 0.00 C ATOM 165 O VAL A 11 21.117 -2.977 4.646 1.00 0.00 O ATOM 166 CB VAL A 11 22.456 -0.863 3.148 1.00 0.00 C ATOM 167 CG1 VAL A 11 21.451 0.215 2.833 1.00 0.00 C ATOM 168 CG2 VAL A 11 23.789 -0.595 2.498 1.00 0.00 C ATOM 0 H VAL A 11 23.826 -2.714 4.393 1.00 0.00 H new ATOM 0 HA VAL A 11 22.681 -0.141 5.181 1.00 0.00 H new ATOM 0 HB VAL A 11 22.087 -1.793 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 11 21.392 0.354 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 11 20.473 -0.077 3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 11 21.760 1.149 3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 11 23.647 -0.439 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.236 0.296 2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.449 -1.448 2.656 1.00 0.00 H new ATOM 178 N HIS A 12 20.556 -1.249 5.896 1.00 0.00 N ATOM 179 CA HIS A 12 19.302 -1.800 6.270 1.00 0.00 C ATOM 180 C HIS A 12 18.248 -1.119 5.431 1.00 0.00 C ATOM 181 O HIS A 12 17.984 0.078 5.588 1.00 0.00 O ATOM 182 CB HIS A 12 19.022 -1.606 7.764 1.00 0.00 C ATOM 183 CG HIS A 12 20.019 -2.273 8.682 1.00 0.00 C ATOM 184 ND1 HIS A 12 19.788 -3.461 9.345 1.00 0.00 N ATOM 185 CD2 HIS A 12 21.267 -1.880 9.054 1.00 0.00 C ATOM 186 CE1 HIS A 12 20.868 -3.747 10.080 1.00 0.00 C ATOM 187 NE2 HIS A 12 21.801 -2.816 9.938 1.00 0.00 N ATOM 0 H HIS A 12 20.770 -0.354 6.336 1.00 0.00 H new ATOM 0 HA HIS A 12 19.300 -2.876 6.096 1.00 0.00 H new ATOM 0 HB2 HIS A 12 19.005 -0.538 7.982 1.00 0.00 H new ATOM 0 HB3 HIS A 12 18.027 -1.992 7.987 1.00 0.00 H new ATOM 0 HD2 HIS A 12 21.766 -0.983 8.717 1.00 0.00 H new ATOM 0 HE1 HIS A 12 20.967 -4.621 10.707 1.00 0.00 H new ATOM 0 HE2 HIS A 12 22.718 -2.790 10.383 1.00 0.00 H new ATOM 195 N VAL A 13 17.714 -1.845 4.504 1.00 0.00 N ATOM 196 CA VAL A 13 16.754 -1.331 3.600 1.00 0.00 C ATOM 197 C VAL A 13 15.362 -1.680 4.036 1.00 0.00 C ATOM 198 O VAL A 13 15.060 -2.835 4.394 1.00 0.00 O ATOM 199 CB VAL A 13 16.999 -1.796 2.136 1.00 0.00 C ATOM 200 CG1 VAL A 13 18.340 -1.337 1.658 1.00 0.00 C ATOM 201 CG2 VAL A 13 16.900 -3.294 1.983 1.00 0.00 C ATOM 0 H VAL A 13 17.941 -2.828 4.356 1.00 0.00 H new ATOM 0 HA VAL A 13 16.866 -0.247 3.614 1.00 0.00 H new ATOM 0 HB VAL A 13 16.214 -1.345 1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.495 -1.671 0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 13 18.387 -0.249 1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 13 19.117 -1.756 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 13 17.079 -3.566 0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 13 17.645 -3.775 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 13 15.904 -3.625 2.278 1.00 0.00 H new ATOM 211 N GLN A 14 14.543 -0.691 4.059 1.00 0.00 N ATOM 212 CA GLN A 14 13.160 -0.883 4.335 1.00 0.00 C ATOM 213 C GLN A 14 12.471 -0.862 3.004 1.00 0.00 C ATOM 214 O GLN A 14 12.497 0.152 2.302 1.00 0.00 O ATOM 215 CB GLN A 14 12.604 0.207 5.259 1.00 0.00 C ATOM 216 CG GLN A 14 11.157 -0.037 5.680 1.00 0.00 C ATOM 217 CD GLN A 14 10.609 1.037 6.599 1.00 0.00 C ATOM 218 OE1 GLN A 14 10.733 0.949 7.822 1.00 0.00 O ATOM 219 NE2 GLN A 14 9.969 2.029 6.035 1.00 0.00 N ATOM 0 H GLN A 14 14.811 0.278 3.887 1.00 0.00 H new ATOM 0 HA GLN A 14 12.996 -1.824 4.860 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.228 0.271 6.150 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.670 1.170 4.754 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.532 -0.096 4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 14 11.090 -1.003 6.181 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.886 2.070 5.019 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.554 2.761 6.611 1.00 0.00 H new ATOM 228 N LEU A 15 11.945 -1.975 2.614 1.00 0.00 N ATOM 229 CA LEU A 15 11.327 -2.079 1.340 1.00 0.00 C ATOM 230 C LEU A 15 9.833 -1.976 1.503 1.00 0.00 C ATOM 231 O LEU A 15 9.232 -2.765 2.235 1.00 0.00 O ATOM 232 CB LEU A 15 11.678 -3.419 0.706 1.00 0.00 C ATOM 233 CG LEU A 15 13.168 -3.779 0.658 1.00 0.00 C ATOM 234 CD1 LEU A 15 13.359 -5.172 0.097 1.00 0.00 C ATOM 235 CD2 LEU A 15 13.960 -2.759 -0.158 1.00 0.00 C ATOM 0 H LEU A 15 11.932 -2.832 3.167 1.00 0.00 H new ATOM 0 HA LEU A 15 11.683 -1.274 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.154 -4.203 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.291 -3.427 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 15 13.550 -3.758 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.422 -5.411 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.841 -5.893 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.952 -5.217 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.012 -3.043 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.577 -2.733 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.857 -1.772 0.294 1.00 0.00 H new ATOM 247 N GLU A 16 9.250 -1.003 0.880 1.00 0.00 N ATOM 248 CA GLU A 16 7.822 -0.859 0.882 1.00 0.00 C ATOM 249 C GLU A 16 7.323 -1.465 -0.390 1.00 0.00 C ATOM 250 O GLU A 16 7.939 -1.294 -1.441 1.00 0.00 O ATOM 251 CB GLU A 16 7.393 0.609 0.894 1.00 0.00 C ATOM 252 CG GLU A 16 7.873 1.446 2.060 1.00 0.00 C ATOM 253 CD GLU A 16 7.415 2.887 1.926 1.00 0.00 C ATOM 254 OE1 GLU A 16 8.018 3.653 1.162 1.00 0.00 O ATOM 255 OE2 GLU A 16 6.423 3.283 2.581 1.00 0.00 O ATOM 0 H GLU A 16 9.746 -0.284 0.354 1.00 0.00 H new ATOM 0 HA GLU A 16 7.420 -1.339 1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.745 1.074 -0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.304 0.646 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.495 1.027 2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.961 1.411 2.113 1.00 0.00 H new ATOM 262 N LYS A 17 6.261 -2.176 -0.323 1.00 0.00 N ATOM 263 CA LYS A 17 5.676 -2.729 -1.510 1.00 0.00 C ATOM 264 C LYS A 17 4.293 -2.199 -1.600 1.00 0.00 C ATOM 265 O LYS A 17 3.427 -2.616 -0.846 1.00 0.00 O ATOM 266 CB LYS A 17 5.698 -4.255 -1.489 1.00 0.00 C ATOM 267 CG LYS A 17 7.096 -4.855 -1.423 1.00 0.00 C ATOM 268 CD LYS A 17 7.052 -6.369 -1.463 1.00 0.00 C ATOM 269 CE LYS A 17 8.449 -6.963 -1.462 1.00 0.00 C ATOM 270 NZ LYS A 17 8.420 -8.440 -1.497 1.00 0.00 N ATOM 0 H LYS A 17 5.767 -2.397 0.542 1.00 0.00 H new ATOM 0 HA LYS A 17 6.250 -2.439 -2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.123 -4.604 -0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.196 -4.627 -2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.692 -4.485 -2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.591 -4.528 -0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.496 -6.741 -0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.517 -6.696 -2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.003 -6.590 -2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.984 -6.631 -0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.393 -8.806 -1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.914 -8.797 -0.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.932 -8.757 -2.359 1.00 0.00 H new ATOM 284 N VAL A 18 4.083 -1.254 -2.480 1.00 0.00 N ATOM 285 CA VAL A 18 2.837 -0.530 -2.495 1.00 0.00 C ATOM 286 C VAL A 18 1.847 -1.209 -3.393 1.00 0.00 C ATOM 287 O VAL A 18 1.868 -1.046 -4.600 1.00 0.00 O ATOM 288 CB VAL A 18 3.001 0.950 -2.944 1.00 0.00 C ATOM 289 CG1 VAL A 18 1.770 1.772 -2.593 1.00 0.00 C ATOM 290 CG2 VAL A 18 4.277 1.576 -2.394 1.00 0.00 C ATOM 0 H VAL A 18 4.755 -0.968 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 18 2.474 -0.526 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 18 3.096 0.951 -4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.915 2.802 -2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.897 1.352 -3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.614 1.752 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.351 2.609 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.254 1.552 -1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.141 1.015 -2.751 1.00 0.00 H new ATOM 300 N TYR A 19 1.032 -1.999 -2.824 1.00 0.00 N ATOM 301 CA TYR A 19 0.018 -2.632 -3.570 1.00 0.00 C ATOM 302 C TYR A 19 -1.149 -1.703 -3.632 1.00 0.00 C ATOM 303 O TYR A 19 -1.525 -1.113 -2.614 1.00 0.00 O ATOM 304 CB TYR A 19 -0.322 -3.963 -2.953 1.00 0.00 C ATOM 305 CG TYR A 19 0.836 -4.924 -3.030 1.00 0.00 C ATOM 306 CD1 TYR A 19 1.057 -5.643 -4.181 1.00 0.00 C ATOM 307 CD2 TYR A 19 1.708 -5.099 -1.969 1.00 0.00 C ATOM 308 CE1 TYR A 19 2.108 -6.517 -4.293 1.00 0.00 C ATOM 309 CE2 TYR A 19 2.770 -5.977 -2.064 1.00 0.00 C ATOM 310 CZ TYR A 19 2.966 -6.686 -3.232 1.00 0.00 C ATOM 311 OH TYR A 19 4.039 -7.553 -3.346 1.00 0.00 O ATOM 0 H TYR A 19 1.044 -2.228 -1.830 1.00 0.00 H new ATOM 0 HA TYR A 19 0.344 -2.845 -4.588 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.607 -3.819 -1.911 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.185 -4.391 -3.463 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.386 -5.516 -5.018 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.556 -4.542 -1.056 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.261 -7.069 -5.209 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.443 -6.108 -1.230 1.00 0.00 H new ATOM 0 HH TYR A 19 4.626 -7.254 -4.071 1.00 0.00 H new ATOM 321 N LEU A 20 -1.719 -1.546 -4.821 1.00 0.00 N ATOM 322 CA LEU A 20 -2.777 -0.552 -5.041 1.00 0.00 C ATOM 323 C LEU A 20 -4.011 -0.808 -4.206 1.00 0.00 C ATOM 324 O LEU A 20 -4.829 0.067 -4.059 1.00 0.00 O ATOM 325 CB LEU A 20 -3.184 -0.372 -6.531 1.00 0.00 C ATOM 326 CG LEU A 20 -3.824 -1.573 -7.262 1.00 0.00 C ATOM 327 CD1 LEU A 20 -4.584 -1.095 -8.479 1.00 0.00 C ATOM 328 CD2 LEU A 20 -2.770 -2.554 -7.713 1.00 0.00 C ATOM 0 H LEU A 20 -1.472 -2.089 -5.648 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.320 0.382 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.883 0.463 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.293 -0.080 -7.087 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.501 -2.065 -6.563 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.031 -1.949 -8.987 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.369 -0.405 -8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.900 -0.586 -9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.246 -3.390 -8.225 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.079 -2.058 -8.394 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.222 -2.924 -6.846 1.00 0.00 H new ATOM 340 N ASP A 21 -4.125 -1.999 -3.637 1.00 0.00 N ATOM 341 CA ASP A 21 -5.293 -2.337 -2.829 1.00 0.00 C ATOM 342 C ASP A 21 -5.179 -1.736 -1.435 1.00 0.00 C ATOM 343 O ASP A 21 -6.128 -1.785 -0.644 1.00 0.00 O ATOM 344 CB ASP A 21 -5.491 -3.842 -2.734 1.00 0.00 C ATOM 345 CG ASP A 21 -4.472 -4.535 -1.866 1.00 0.00 C ATOM 346 OD1 ASP A 21 -3.372 -4.830 -2.338 1.00 0.00 O ATOM 347 OD2 ASP A 21 -4.794 -4.825 -0.705 1.00 0.00 O ATOM 0 H ASP A 21 -3.432 -2.743 -3.717 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.165 -1.912 -3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.487 -4.044 -2.341 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.451 -4.269 -3.736 1.00 0.00 H new ATOM 352 N GLY A 22 -4.020 -1.199 -1.125 1.00 0.00 N ATOM 353 CA GLY A 22 -3.859 -0.509 0.113 1.00 0.00 C ATOM 354 C GLY A 22 -2.918 -1.172 1.075 1.00 0.00 C ATOM 355 O GLY A 22 -2.515 -0.550 2.062 1.00 0.00 O ATOM 0 H GLY A 22 -3.188 -1.232 -1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.499 0.499 -0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.835 -0.409 0.589 1.00 0.00 H new ATOM 359 N ASP A 23 -2.577 -2.411 0.828 1.00 0.00 N ATOM 360 CA ASP A 23 -1.653 -3.107 1.708 1.00 0.00 C ATOM 361 C ASP A 23 -0.239 -2.901 1.237 1.00 0.00 C ATOM 362 O ASP A 23 0.079 -3.128 0.073 1.00 0.00 O ATOM 363 CB ASP A 23 -1.978 -4.604 1.825 1.00 0.00 C ATOM 364 CG ASP A 23 -0.975 -5.370 2.690 1.00 0.00 C ATOM 365 OD1 ASP A 23 -1.004 -5.236 3.940 1.00 0.00 O ATOM 366 OD2 ASP A 23 -0.162 -6.137 2.141 1.00 0.00 O ATOM 0 H ASP A 23 -2.916 -2.959 0.037 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.763 -2.682 2.706 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.976 -4.721 2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.999 -5.044 0.828 1.00 0.00 H new ATOM 371 N VAL A 24 0.599 -2.425 2.112 1.00 0.00 N ATOM 372 CA VAL A 24 1.971 -2.206 1.770 1.00 0.00 C ATOM 373 C VAL A 24 2.814 -3.144 2.587 1.00 0.00 C ATOM 374 O VAL A 24 2.845 -3.050 3.820 1.00 0.00 O ATOM 375 CB VAL A 24 2.427 -0.737 2.037 1.00 0.00 C ATOM 376 CG1 VAL A 24 3.832 -0.486 1.514 1.00 0.00 C ATOM 377 CG2 VAL A 24 1.440 0.268 1.461 1.00 0.00 C ATOM 0 H VAL A 24 0.353 -2.181 3.071 1.00 0.00 H new ATOM 0 HA VAL A 24 2.089 -2.389 0.702 1.00 0.00 H new ATOM 0 HB VAL A 24 2.447 -0.597 3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.117 0.546 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.531 -1.159 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.857 -0.665 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.790 1.280 1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.360 0.123 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.462 0.122 1.920 1.00 0.00 H new ATOM 387 N SER A 25 3.479 -4.048 1.924 1.00 0.00 N ATOM 388 CA SER A 25 4.323 -4.989 2.598 1.00 0.00 C ATOM 389 C SER A 25 5.613 -4.300 2.946 1.00 0.00 C ATOM 390 O SER A 25 6.299 -3.777 2.071 1.00 0.00 O ATOM 391 CB SER A 25 4.567 -6.239 1.727 1.00 0.00 C ATOM 392 OG SER A 25 5.350 -7.224 2.406 1.00 0.00 O ATOM 0 H SER A 25 3.451 -4.152 0.910 1.00 0.00 H new ATOM 0 HA SER A 25 3.838 -5.335 3.511 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.609 -6.673 1.440 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.073 -5.946 0.807 1.00 0.00 H new ATOM 0 HG SER A 25 5.480 -7.999 1.821 1.00 0.00 H new ATOM 398 N ILE A 26 5.892 -4.231 4.215 1.00 0.00 N ATOM 399 CA ILE A 26 7.086 -3.607 4.692 1.00 0.00 C ATOM 400 C ILE A 26 8.104 -4.683 5.007 1.00 0.00 C ATOM 401 O ILE A 26 7.879 -5.540 5.879 1.00 0.00 O ATOM 402 CB ILE A 26 6.803 -2.740 5.947 1.00 0.00 C ATOM 403 CG1 ILE A 26 5.740 -1.670 5.642 1.00 0.00 C ATOM 404 CG2 ILE A 26 8.078 -2.085 6.465 1.00 0.00 C ATOM 405 CD1 ILE A 26 6.090 -0.754 4.487 1.00 0.00 C ATOM 0 H ILE A 26 5.293 -4.608 4.949 1.00 0.00 H new ATOM 0 HA ILE A 26 7.476 -2.943 3.921 1.00 0.00 H new ATOM 0 HB ILE A 26 6.420 -3.400 6.725 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.794 -2.166 5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.583 -1.065 6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.847 -1.484 7.345 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.801 -2.856 6.732 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.500 -1.446 5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.288 -0.031 4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.018 -0.227 4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.217 -1.345 3.580 1.00 0.00 H new ATOM 417 N GLU A 27 9.184 -4.649 4.299 1.00 0.00 N ATOM 418 CA GLU A 27 10.222 -5.623 4.418 1.00 0.00 C ATOM 419 C GLU A 27 11.450 -4.938 4.979 1.00 0.00 C ATOM 420 O GLU A 27 11.659 -3.754 4.736 1.00 0.00 O ATOM 421 CB GLU A 27 10.577 -6.107 3.037 1.00 0.00 C ATOM 422 CG GLU A 27 11.382 -7.364 3.000 1.00 0.00 C ATOM 423 CD GLU A 27 10.525 -8.569 3.256 1.00 0.00 C ATOM 424 OE1 GLU A 27 9.954 -9.109 2.286 1.00 0.00 O ATOM 425 OE2 GLU A 27 10.388 -8.991 4.420 1.00 0.00 O ATOM 0 H GLU A 27 9.375 -3.927 3.605 1.00 0.00 H new ATOM 0 HA GLU A 27 9.898 -6.446 5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.656 -6.265 2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.132 -5.322 2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.866 -7.460 2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.174 -7.313 3.747 1.00 0.00 H new ATOM 432 N HIS A 28 12.248 -5.660 5.705 1.00 0.00 N ATOM 433 CA HIS A 28 13.482 -5.138 6.242 1.00 0.00 C ATOM 434 C HIS A 28 14.587 -6.069 5.863 1.00 0.00 C ATOM 435 O HIS A 28 14.539 -7.267 6.178 1.00 0.00 O ATOM 436 CB HIS A 28 13.447 -4.986 7.781 1.00 0.00 C ATOM 437 CG HIS A 28 12.493 -3.948 8.298 1.00 0.00 C ATOM 438 ND1 HIS A 28 12.832 -2.967 9.202 1.00 0.00 N ATOM 439 CD2 HIS A 28 11.181 -3.795 8.065 1.00 0.00 C ATOM 440 CE1 HIS A 28 11.738 -2.271 9.491 1.00 0.00 C ATOM 441 NE2 HIS A 28 10.691 -2.736 8.825 1.00 0.00 N ATOM 0 H HIS A 28 12.067 -6.634 5.947 1.00 0.00 H new ATOM 0 HA HIS A 28 13.637 -4.142 5.827 1.00 0.00 H new ATOM 0 HB2 HIS A 28 13.184 -5.949 8.220 1.00 0.00 H new ATOM 0 HB3 HIS A 28 14.450 -4.740 8.129 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.594 -4.401 7.391 1.00 0.00 H new ATOM 0 HE1 HIS A 28 11.706 -1.438 10.177 1.00 0.00 H new ATOM 0 HE2 HIS A 28 9.731 -2.392 8.861 1.00 0.00 H new ATOM 449 N LYS A 29 15.540 -5.560 5.162 1.00 0.00 N ATOM 450 CA LYS A 29 16.693 -6.325 4.784 1.00 0.00 C ATOM 451 C LYS A 29 17.939 -5.650 5.230 1.00 0.00 C ATOM 452 O LYS A 29 17.978 -4.448 5.375 1.00 0.00 O ATOM 453 CB LYS A 29 16.837 -6.496 3.299 1.00 0.00 C ATOM 454 CG LYS A 29 15.817 -7.322 2.581 1.00 0.00 C ATOM 455 CD LYS A 29 16.469 -7.860 1.324 1.00 0.00 C ATOM 456 CE LYS A 29 16.961 -6.738 0.397 1.00 0.00 C ATOM 457 NZ LYS A 29 17.737 -7.245 -0.743 1.00 0.00 N ATOM 0 H LYS A 29 15.548 -4.596 4.829 1.00 0.00 H new ATOM 0 HA LYS A 29 16.548 -7.296 5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.839 -5.504 2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.816 -6.935 3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.472 -8.140 3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.943 -6.720 2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.310 -8.497 1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.756 -8.486 0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.104 -6.176 0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.575 -6.043 0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.741 -6.535 -1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.714 -7.435 -0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.306 -8.124 -1.093 1.00 0.00 H new ATOM 471 N HIS A 30 18.937 -6.423 5.432 1.00 0.00 N ATOM 472 CA HIS A 30 20.253 -5.920 5.743 1.00 0.00 C ATOM 473 C HIS A 30 21.256 -6.441 4.727 1.00 0.00 C ATOM 474 O HIS A 30 21.450 -7.659 4.607 1.00 0.00 O ATOM 475 CB HIS A 30 20.663 -6.220 7.208 1.00 0.00 C ATOM 476 CG HIS A 30 20.549 -7.658 7.648 1.00 0.00 C ATOM 477 ND1 HIS A 30 19.454 -8.172 8.300 1.00 0.00 N ATOM 478 CD2 HIS A 30 21.423 -8.683 7.530 1.00 0.00 C ATOM 479 CE1 HIS A 30 19.682 -9.455 8.552 1.00 0.00 C ATOM 480 NE2 HIS A 30 20.869 -9.823 8.103 1.00 0.00 N ATOM 0 H HIS A 30 18.880 -7.441 5.389 1.00 0.00 H new ATOM 0 HA HIS A 30 20.238 -4.833 5.668 1.00 0.00 H new ATOM 0 HB2 HIS A 30 21.695 -5.899 7.348 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.047 -5.609 7.868 1.00 0.00 H new ATOM 0 HD2 HIS A 30 22.396 -8.626 7.065 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.989 -10.111 9.057 1.00 0.00 H new ATOM 0 HE2 HIS A 30 21.291 -10.750 8.164 1.00 0.00 H new ATOM 488 N GLU A 31 21.848 -5.570 3.956 1.00 0.00 N ATOM 489 CA GLU A 31 22.815 -6.019 2.987 1.00 0.00 C ATOM 490 C GLU A 31 24.091 -5.237 3.079 1.00 0.00 C ATOM 491 O GLU A 31 24.073 -4.045 3.308 1.00 0.00 O ATOM 492 CB GLU A 31 22.229 -6.001 1.578 1.00 0.00 C ATOM 493 CG GLU A 31 21.754 -4.664 1.071 1.00 0.00 C ATOM 494 CD GLU A 31 20.965 -4.839 -0.198 1.00 0.00 C ATOM 495 OE1 GLU A 31 21.564 -4.925 -1.293 1.00 0.00 O ATOM 496 OE2 GLU A 31 19.730 -4.967 -0.123 1.00 0.00 O ATOM 0 H GLU A 31 21.684 -4.564 3.976 1.00 0.00 H new ATOM 0 HA GLU A 31 23.065 -7.054 3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 31 22.983 -6.380 0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 31 21.390 -6.697 1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 31 21.137 -4.179 1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 31 22.608 -4.012 0.890 1.00 0.00 H new ATOM 503 N LYS A 32 25.194 -5.919 2.961 1.00 0.00 N ATOM 504 CA LYS A 32 26.468 -5.289 2.982 1.00 0.00 C ATOM 505 C LYS A 32 26.947 -5.110 1.582 1.00 0.00 C ATOM 506 O LYS A 32 27.234 -6.083 0.884 1.00 0.00 O ATOM 507 CB LYS A 32 27.487 -6.083 3.765 1.00 0.00 C ATOM 508 CG LYS A 32 27.242 -6.166 5.254 1.00 0.00 C ATOM 509 CD LYS A 32 28.428 -6.802 5.982 1.00 0.00 C ATOM 510 CE LYS A 32 28.921 -8.055 5.278 1.00 0.00 C ATOM 511 NZ LYS A 32 29.987 -8.739 6.031 1.00 0.00 N ATOM 0 H LYS A 32 25.227 -6.932 2.847 1.00 0.00 H new ATOM 0 HA LYS A 32 26.355 -4.325 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 32 27.520 -7.096 3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 32 28.470 -5.642 3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 32 27.063 -5.167 5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.341 -6.750 5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 32 29.242 -6.080 6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 32 28.136 -7.050 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 32 28.085 -8.740 5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 32 29.292 -7.790 4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 30.290 -9.587 5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 30.797 -8.097 6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 29.628 -9.017 6.967 1.00 0.00 H new ATOM 525 N VAL A 33 27.023 -3.896 1.176 1.00 0.00 N ATOM 526 CA VAL A 33 27.432 -3.570 -0.158 1.00 0.00 C ATOM 527 C VAL A 33 28.711 -2.742 -0.183 1.00 0.00 C ATOM 528 O VAL A 33 28.873 -1.819 0.587 1.00 0.00 O ATOM 529 CB VAL A 33 26.274 -2.923 -0.977 1.00 0.00 C ATOM 530 CG1 VAL A 33 25.438 -1.995 -0.139 1.00 0.00 C ATOM 531 CG2 VAL A 33 26.800 -2.176 -2.151 1.00 0.00 C ATOM 0 H VAL A 33 26.803 -3.087 1.758 1.00 0.00 H new ATOM 0 HA VAL A 33 27.674 -4.508 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 33 25.644 -3.744 -1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.644 -1.568 -0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 33 24.998 -2.550 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 33 26.065 -1.194 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 33 25.970 -1.735 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 33 27.469 -1.386 -1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 33 27.347 -2.859 -2.801 1.00 0.00 H new ATOM 541 N PHE A 34 29.611 -3.113 -1.049 1.00 0.00 N ATOM 542 CA PHE A 34 30.895 -2.466 -1.191 1.00 0.00 C ATOM 543 C PHE A 34 30.771 -1.154 -1.949 1.00 0.00 C ATOM 544 O PHE A 34 31.349 -0.140 -1.550 1.00 0.00 O ATOM 545 CB PHE A 34 31.878 -3.398 -1.908 1.00 0.00 C ATOM 546 CG PHE A 34 32.267 -4.634 -1.133 1.00 0.00 C ATOM 547 CD1 PHE A 34 31.329 -5.612 -0.818 1.00 0.00 C ATOM 548 CD2 PHE A 34 33.580 -4.832 -0.750 1.00 0.00 C ATOM 549 CE1 PHE A 34 31.695 -6.749 -0.134 1.00 0.00 C ATOM 550 CE2 PHE A 34 33.951 -5.966 -0.061 1.00 0.00 C ATOM 551 CZ PHE A 34 33.006 -6.928 0.247 1.00 0.00 C ATOM 0 H PHE A 34 29.474 -3.892 -1.693 1.00 0.00 H new ATOM 0 HA PHE A 34 31.273 -2.244 -0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 34 31.437 -3.706 -2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 34 32.782 -2.836 -2.144 1.00 0.00 H new ATOM 0 HD1 PHE A 34 30.299 -5.477 -1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 34 34.325 -4.089 -0.994 1.00 0.00 H new ATOM 0 HE1 PHE A 34 30.955 -7.499 0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 34 34.979 -6.104 0.239 1.00 0.00 H new ATOM 0 HZ PHE A 34 33.296 -7.818 0.785 1.00 0.00 H new ATOM 561 N SER A 35 29.991 -1.153 -2.998 1.00 0.00 N ATOM 562 CA SER A 35 29.857 0.015 -3.818 1.00 0.00 C ATOM 563 C SER A 35 28.441 0.478 -3.773 1.00 0.00 C ATOM 564 O SER A 35 27.548 -0.225 -4.226 1.00 0.00 O ATOM 565 CB SER A 35 30.271 -0.288 -5.271 1.00 0.00 C ATOM 566 OG SER A 35 30.062 0.833 -6.133 1.00 0.00 O ATOM 0 H SER A 35 29.438 -1.954 -3.303 1.00 0.00 H new ATOM 0 HA SER A 35 30.513 0.798 -3.438 1.00 0.00 H new ATOM 0 HB2 SER A 35 31.323 -0.573 -5.296 1.00 0.00 H new ATOM 0 HB3 SER A 35 29.701 -1.140 -5.640 1.00 0.00 H new ATOM 0 HG SER A 35 30.338 0.601 -7.044 1.00 0.00 H new ATOM 572 N MET A 36 28.222 1.665 -3.243 1.00 0.00 N ATOM 573 CA MET A 36 26.886 2.235 -3.166 1.00 0.00 C ATOM 574 C MET A 36 26.281 2.340 -4.539 1.00 0.00 C ATOM 575 O MET A 36 25.096 2.164 -4.707 1.00 0.00 O ATOM 576 CB MET A 36 26.894 3.594 -2.462 1.00 0.00 C ATOM 577 CG MET A 36 27.015 3.495 -0.949 1.00 0.00 C ATOM 578 SD MET A 36 25.489 3.960 -0.091 1.00 0.00 S ATOM 579 CE MET A 36 24.297 2.852 -0.850 1.00 0.00 C ATOM 0 H MET A 36 28.955 2.259 -2.856 1.00 0.00 H new ATOM 0 HA MET A 36 26.269 1.565 -2.567 1.00 0.00 H new ATOM 0 HB2 MET A 36 27.723 4.188 -2.846 1.00 0.00 H new ATOM 0 HB3 MET A 36 25.977 4.128 -2.711 1.00 0.00 H new ATOM 0 HG2 MET A 36 27.283 2.474 -0.677 1.00 0.00 H new ATOM 0 HG3 MET A 36 27.827 4.139 -0.611 1.00 0.00 H new ATOM 0 HE1 MET A 36 23.315 3.014 -0.406 1.00 0.00 H new ATOM 0 HE2 MET A 36 24.248 3.049 -1.921 1.00 0.00 H new ATOM 0 HE3 MET A 36 24.604 1.819 -0.685 1.00 0.00 H new ATOM 589 N ASP A 37 27.136 2.507 -5.521 1.00 0.00 N ATOM 590 CA ASP A 37 26.723 2.614 -6.918 1.00 0.00 C ATOM 591 C ASP A 37 26.098 1.309 -7.394 1.00 0.00 C ATOM 592 O ASP A 37 25.115 1.316 -8.133 1.00 0.00 O ATOM 593 CB ASP A 37 27.900 2.997 -7.811 1.00 0.00 C ATOM 594 CG ASP A 37 27.565 2.923 -9.286 1.00 0.00 C ATOM 595 OD1 ASP A 37 26.845 3.799 -9.799 1.00 0.00 O ATOM 596 OD2 ASP A 37 28.055 1.997 -9.974 1.00 0.00 O ATOM 0 H ASP A 37 28.144 2.574 -5.382 1.00 0.00 H new ATOM 0 HA ASP A 37 25.975 3.404 -6.986 1.00 0.00 H new ATOM 0 HB2 ASP A 37 28.222 4.009 -7.566 1.00 0.00 H new ATOM 0 HB3 ASP A 37 28.741 2.336 -7.600 1.00 0.00 H new ATOM 601 N ASP A 38 26.644 0.193 -6.917 1.00 0.00 N ATOM 602 CA ASP A 38 26.119 -1.139 -7.246 1.00 0.00 C ATOM 603 C ASP A 38 24.738 -1.271 -6.671 1.00 0.00 C ATOM 604 O ASP A 38 23.822 -1.747 -7.322 1.00 0.00 O ATOM 605 CB ASP A 38 27.001 -2.237 -6.656 1.00 0.00 C ATOM 606 CG ASP A 38 26.456 -3.627 -6.918 1.00 0.00 C ATOM 607 OD1 ASP A 38 26.644 -4.145 -8.037 1.00 0.00 O ATOM 608 OD2 ASP A 38 25.844 -4.226 -6.012 1.00 0.00 O ATOM 0 H ASP A 38 27.454 0.180 -6.298 1.00 0.00 H new ATOM 0 HA ASP A 38 26.102 -1.248 -8.330 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.003 -2.158 -7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.094 -2.084 -5.581 1.00 0.00 H new ATOM 613 N PHE A 39 24.603 -0.784 -5.455 1.00 0.00 N ATOM 614 CA PHE A 39 23.365 -0.788 -4.736 1.00 0.00 C ATOM 615 C PHE A 39 22.323 0.091 -5.467 1.00 0.00 C ATOM 616 O PHE A 39 21.172 -0.300 -5.626 1.00 0.00 O ATOM 617 CB PHE A 39 23.639 -0.272 -3.323 1.00 0.00 C ATOM 618 CG PHE A 39 22.465 -0.199 -2.413 1.00 0.00 C ATOM 619 CD1 PHE A 39 21.656 0.893 -2.444 1.00 0.00 C ATOM 620 CD2 PHE A 39 22.195 -1.209 -1.501 1.00 0.00 C ATOM 621 CE1 PHE A 39 20.600 1.006 -1.601 1.00 0.00 C ATOM 622 CE2 PHE A 39 21.123 -1.109 -0.644 1.00 0.00 C ATOM 623 CZ PHE A 39 20.326 0.011 -0.699 1.00 0.00 C ATOM 0 H PHE A 39 25.375 -0.367 -4.935 1.00 0.00 H new ATOM 0 HA PHE A 39 22.954 -1.796 -4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 39 24.390 -0.914 -2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 39 24.075 0.724 -3.400 1.00 0.00 H new ATOM 0 HD1 PHE A 39 21.858 1.684 -3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 39 22.831 -2.081 -1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.972 1.884 -1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 39 20.910 -1.898 0.062 1.00 0.00 H new ATOM 0 HZ PHE A 39 19.483 0.106 -0.030 1.00 0.00 H new ATOM 633 N TRP A 40 22.745 1.266 -5.932 1.00 0.00 N ATOM 634 CA TRP A 40 21.846 2.174 -6.640 1.00 0.00 C ATOM 635 C TRP A 40 21.434 1.593 -7.962 1.00 0.00 C ATOM 636 O TRP A 40 20.307 1.734 -8.375 1.00 0.00 O ATOM 637 CB TRP A 40 22.456 3.564 -6.853 1.00 0.00 C ATOM 638 CG TRP A 40 22.860 4.253 -5.588 1.00 0.00 C ATOM 639 CD1 TRP A 40 24.046 4.871 -5.349 1.00 0.00 C ATOM 640 CD2 TRP A 40 22.098 4.370 -4.378 1.00 0.00 C ATOM 641 NE1 TRP A 40 24.080 5.344 -4.069 1.00 0.00 N ATOM 642 CE2 TRP A 40 22.898 5.053 -3.455 1.00 0.00 C ATOM 643 CE3 TRP A 40 20.821 3.960 -3.983 1.00 0.00 C ATOM 644 CZ2 TRP A 40 22.468 5.329 -2.170 1.00 0.00 C ATOM 645 CZ3 TRP A 40 20.401 4.239 -2.709 1.00 0.00 C ATOM 646 CH2 TRP A 40 21.222 4.908 -1.818 1.00 0.00 C ATOM 0 H TRP A 40 23.700 1.610 -5.831 1.00 0.00 H new ATOM 0 HA TRP A 40 20.968 2.295 -6.005 1.00 0.00 H new ATOM 0 HB2 TRP A 40 23.329 3.471 -7.498 1.00 0.00 H new ATOM 0 HB3 TRP A 40 21.735 4.189 -7.380 1.00 0.00 H new ATOM 0 HD1 TRP A 40 24.846 4.973 -6.067 1.00 0.00 H new ATOM 0 HE1 TRP A 40 24.864 5.836 -3.641 1.00 0.00 H new ATOM 0 HE3 TRP A 40 20.177 3.432 -4.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 23.098 5.859 -1.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 19.414 3.932 -2.395 1.00 0.00 H new ATOM 0 HH2 TRP A 40 20.865 5.101 -0.817 1.00 0.00 H new ATOM 657 N ALA A 41 22.341 0.929 -8.612 1.00 0.00 N ATOM 658 CA ALA A 41 22.035 0.301 -9.879 1.00 0.00 C ATOM 659 C ALA A 41 21.128 -0.889 -9.660 1.00 0.00 C ATOM 660 O ALA A 41 20.246 -1.168 -10.473 1.00 0.00 O ATOM 661 CB ALA A 41 23.299 -0.092 -10.619 1.00 0.00 C ATOM 0 H ALA A 41 23.302 0.803 -8.293 1.00 0.00 H new ATOM 0 HA ALA A 41 21.511 1.022 -10.506 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.035 -0.561 -11.567 1.00 0.00 H new ATOM 0 HB2 ALA A 41 23.900 0.797 -10.809 1.00 0.00 H new ATOM 0 HB3 ALA A 41 23.872 -0.795 -10.014 1.00 0.00 H new ATOM 667 N ALA A 42 21.325 -1.561 -8.551 1.00 0.00 N ATOM 668 CA ALA A 42 20.516 -2.693 -8.180 1.00 0.00 C ATOM 669 C ALA A 42 19.088 -2.263 -7.881 1.00 0.00 C ATOM 670 O ALA A 42 18.139 -2.884 -8.341 1.00 0.00 O ATOM 671 CB ALA A 42 21.113 -3.393 -6.974 1.00 0.00 C ATOM 0 H ALA A 42 22.057 -1.335 -7.877 1.00 0.00 H new ATOM 0 HA ALA A 42 20.497 -3.388 -9.020 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.491 -4.247 -6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 42 22.119 -3.738 -7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 42 21.158 -2.698 -6.136 1.00 0.00 H new ATOM 677 N TYR A 43 18.933 -1.183 -7.139 1.00 0.00 N ATOM 678 CA TYR A 43 17.622 -0.748 -6.743 1.00 0.00 C ATOM 679 C TYR A 43 17.169 0.477 -7.515 1.00 0.00 C ATOM 680 O TYR A 43 16.278 1.197 -7.075 1.00 0.00 O ATOM 681 CB TYR A 43 17.579 -0.510 -5.235 1.00 0.00 C ATOM 682 CG TYR A 43 17.862 -1.769 -4.440 1.00 0.00 C ATOM 683 CD1 TYR A 43 16.835 -2.623 -4.092 1.00 0.00 C ATOM 684 CD2 TYR A 43 19.153 -2.120 -4.077 1.00 0.00 C ATOM 685 CE1 TYR A 43 17.074 -3.789 -3.413 1.00 0.00 C ATOM 686 CE2 TYR A 43 19.404 -3.284 -3.390 1.00 0.00 C ATOM 687 CZ TYR A 43 18.358 -4.115 -3.064 1.00 0.00 C ATOM 688 OH TYR A 43 18.599 -5.284 -2.402 1.00 0.00 O ATOM 0 H TYR A 43 19.699 -0.599 -6.804 1.00 0.00 H new ATOM 0 HA TYR A 43 16.917 -1.543 -6.987 1.00 0.00 H new ATOM 0 HB2 TYR A 43 18.309 0.255 -4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 43 16.598 -0.123 -4.959 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.821 -2.367 -4.361 1.00 0.00 H new ATOM 0 HD2 TYR A 43 19.974 -1.469 -4.338 1.00 0.00 H new ATOM 0 HE1 TYR A 43 16.256 -4.446 -3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 43 20.414 -3.544 -3.109 1.00 0.00 H new ATOM 0 HH TYR A 43 18.772 -5.095 -1.456 1.00 0.00 H new ATOM 698 N ALA A 44 17.777 0.690 -8.679 1.00 0.00 N ATOM 699 CA ALA A 44 17.437 1.789 -9.579 1.00 0.00 C ATOM 700 C ALA A 44 15.928 1.928 -9.846 1.00 0.00 C ATOM 701 O ALA A 44 15.402 3.048 -9.869 1.00 0.00 O ATOM 702 CB ALA A 44 18.178 1.637 -10.891 1.00 0.00 C ATOM 0 H ALA A 44 18.529 0.097 -9.028 1.00 0.00 H new ATOM 0 HA ALA A 44 17.747 2.702 -9.071 1.00 0.00 H new ATOM 0 HB1 ALA A 44 17.917 2.462 -11.554 1.00 0.00 H new ATOM 0 HB2 ALA A 44 19.252 1.647 -10.705 1.00 0.00 H new ATOM 0 HB3 ALA A 44 17.899 0.693 -11.359 1.00 0.00 H new ATOM 708 N GLY A 45 15.241 0.810 -10.020 1.00 0.00 N ATOM 709 CA GLY A 45 13.817 0.843 -10.317 1.00 0.00 C ATOM 710 C GLY A 45 12.971 1.176 -9.101 1.00 0.00 C ATOM 711 O GLY A 45 11.868 1.697 -9.231 1.00 0.00 O ATOM 0 H GLY A 45 15.643 -0.126 -9.961 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.630 1.581 -11.097 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.510 -0.125 -10.713 1.00 0.00 H new ATOM 715 N TRP A 46 13.468 0.837 -7.924 1.00 0.00 N ATOM 716 CA TRP A 46 12.795 1.135 -6.679 1.00 0.00 C ATOM 717 C TRP A 46 12.775 2.639 -6.471 1.00 0.00 C ATOM 718 O TRP A 46 13.709 3.337 -6.870 1.00 0.00 O ATOM 719 CB TRP A 46 13.547 0.502 -5.504 1.00 0.00 C ATOM 720 CG TRP A 46 13.655 -0.983 -5.517 1.00 0.00 C ATOM 721 CD1 TRP A 46 14.388 -1.746 -6.365 1.00 0.00 C ATOM 722 CD2 TRP A 46 13.039 -1.881 -4.606 1.00 0.00 C ATOM 723 NE1 TRP A 46 14.227 -3.069 -6.069 1.00 0.00 N ATOM 724 CE2 TRP A 46 13.410 -3.182 -4.987 1.00 0.00 C ATOM 725 CE3 TRP A 46 12.198 -1.716 -3.517 1.00 0.00 C ATOM 726 CZ2 TRP A 46 12.967 -4.308 -4.313 1.00 0.00 C ATOM 727 CZ3 TRP A 46 11.758 -2.826 -2.853 1.00 0.00 C ATOM 728 CH2 TRP A 46 12.139 -4.109 -3.252 1.00 0.00 C ATOM 0 H TRP A 46 14.354 0.345 -7.808 1.00 0.00 H new ATOM 0 HA TRP A 46 11.782 0.736 -6.725 1.00 0.00 H new ATOM 0 HB2 TRP A 46 14.554 0.919 -5.477 1.00 0.00 H new ATOM 0 HB3 TRP A 46 13.053 0.802 -4.580 1.00 0.00 H new ATOM 0 HD1 TRP A 46 15.010 -1.362 -7.160 1.00 0.00 H new ATOM 0 HE1 TRP A 46 14.650 -3.846 -6.576 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.896 -0.729 -3.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.266 -5.301 -4.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 11.103 -2.709 -2.003 1.00 0.00 H new ATOM 0 HH2 TRP A 46 11.768 -4.963 -2.705 1.00 0.00 H new ATOM 739 N THR A 47 11.745 3.130 -5.858 1.00 0.00 N ATOM 740 CA THR A 47 11.639 4.504 -5.587 1.00 0.00 C ATOM 741 C THR A 47 12.353 4.790 -4.284 1.00 0.00 C ATOM 742 O THR A 47 11.999 4.233 -3.235 1.00 0.00 O ATOM 743 CB THR A 47 10.166 4.903 -5.501 1.00 0.00 C ATOM 744 OG1 THR A 47 9.502 4.566 -6.742 1.00 0.00 O ATOM 745 CG2 THR A 47 10.018 6.381 -5.216 1.00 0.00 C ATOM 0 H THR A 47 10.954 2.573 -5.534 1.00 0.00 H new ATOM 0 HA THR A 47 12.098 5.086 -6.386 1.00 0.00 H new ATOM 0 HB THR A 47 9.705 4.355 -4.679 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.557 4.820 -6.687 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.960 6.637 -5.160 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.499 6.619 -4.267 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.488 6.954 -6.015 1.00 0.00 H new ATOM 753 N LEU A 48 13.388 5.586 -4.373 1.00 0.00 N ATOM 754 CA LEU A 48 14.164 5.961 -3.229 1.00 0.00 C ATOM 755 C LEU A 48 13.364 6.978 -2.447 1.00 0.00 C ATOM 756 O LEU A 48 13.068 8.064 -2.944 1.00 0.00 O ATOM 757 CB LEU A 48 15.546 6.509 -3.700 1.00 0.00 C ATOM 758 CG LEU A 48 16.639 6.828 -2.638 1.00 0.00 C ATOM 759 CD1 LEU A 48 16.392 8.129 -1.898 1.00 0.00 C ATOM 760 CD2 LEU A 48 16.768 5.696 -1.643 1.00 0.00 C ATOM 0 H LEU A 48 13.714 5.993 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 48 14.370 5.111 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.967 5.783 -4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.361 7.423 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 48 17.571 6.942 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.189 8.292 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.374 8.955 -2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.435 8.076 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.537 5.941 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.816 5.549 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 48 17.044 4.781 -2.167 1.00 0.00 H new ATOM 772 N VAL A 49 12.966 6.612 -1.262 1.00 0.00 N ATOM 773 CA VAL A 49 12.177 7.494 -0.452 1.00 0.00 C ATOM 774 C VAL A 49 13.086 8.288 0.471 1.00 0.00 C ATOM 775 O VAL A 49 12.937 9.505 0.608 1.00 0.00 O ATOM 776 CB VAL A 49 11.068 6.729 0.322 1.00 0.00 C ATOM 777 CG1 VAL A 49 10.259 7.660 1.207 1.00 0.00 C ATOM 778 CG2 VAL A 49 10.154 6.029 -0.663 1.00 0.00 C ATOM 0 H VAL A 49 13.175 5.709 -0.836 1.00 0.00 H new ATOM 0 HA VAL A 49 11.655 8.196 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 49 11.550 5.994 0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.493 7.089 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.918 8.136 1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.784 8.424 0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.376 5.492 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.694 6.767 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.733 5.323 -1.259 1.00 0.00 H new ATOM 788 N GLU A 50 14.042 7.611 1.085 1.00 0.00 N ATOM 789 CA GLU A 50 15.040 8.279 1.889 1.00 0.00 C ATOM 790 C GLU A 50 16.233 7.384 2.070 1.00 0.00 C ATOM 791 O GLU A 50 16.139 6.175 1.892 1.00 0.00 O ATOM 792 CB GLU A 50 14.500 8.660 3.257 1.00 0.00 C ATOM 793 CG GLU A 50 14.069 7.496 4.087 1.00 0.00 C ATOM 794 CD GLU A 50 13.688 7.904 5.457 1.00 0.00 C ATOM 795 OE1 GLU A 50 12.511 8.238 5.688 1.00 0.00 O ATOM 796 OE2 GLU A 50 14.566 7.916 6.328 1.00 0.00 O ATOM 0 H GLU A 50 14.144 6.597 1.039 1.00 0.00 H new ATOM 0 HA GLU A 50 15.325 9.191 1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.268 9.214 3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 50 13.653 9.334 3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.224 7.002 3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.878 6.767 4.137 1.00 0.00 H new ATOM 803 N GLN A 51 17.338 7.972 2.388 1.00 0.00 N ATOM 804 CA GLN A 51 18.537 7.260 2.692 1.00 0.00 C ATOM 805 C GLN A 51 19.377 8.006 3.699 1.00 0.00 C ATOM 806 O GLN A 51 19.502 9.242 3.644 1.00 0.00 O ATOM 807 CB GLN A 51 19.349 7.025 1.450 1.00 0.00 C ATOM 808 CG GLN A 51 19.714 8.282 0.702 1.00 0.00 C ATOM 809 CD GLN A 51 20.645 7.985 -0.409 1.00 0.00 C ATOM 810 OE1 GLN A 51 21.871 8.061 -0.260 1.00 0.00 O ATOM 811 NE2 GLN A 51 20.095 7.584 -1.496 1.00 0.00 N ATOM 0 H GLN A 51 17.436 8.986 2.445 1.00 0.00 H new ATOM 0 HA GLN A 51 18.242 6.301 3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 51 20.264 6.499 1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 51 18.790 6.368 0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 51 18.812 8.751 0.310 1.00 0.00 H new ATOM 0 HG3 GLN A 51 20.173 8.996 1.385 1.00 0.00 H new ATOM 0 HE21 GLN A 51 19.078 7.540 -1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 51 20.674 7.309 -2.289 1.00 0.00 H new ATOM 820 N LYS A 52 19.909 7.267 4.616 1.00 0.00 N ATOM 821 CA LYS A 52 20.846 7.748 5.576 1.00 0.00 C ATOM 822 C LYS A 52 21.821 6.648 5.919 1.00 0.00 C ATOM 823 O LYS A 52 21.551 5.823 6.783 1.00 0.00 O ATOM 824 CB LYS A 52 20.158 8.307 6.834 1.00 0.00 C ATOM 825 CG LYS A 52 18.969 7.496 7.367 1.00 0.00 C ATOM 826 CD LYS A 52 18.490 8.085 8.683 1.00 0.00 C ATOM 827 CE LYS A 52 17.186 7.492 9.193 1.00 0.00 C ATOM 828 NZ LYS A 52 15.997 8.063 8.522 1.00 0.00 N ATOM 0 H LYS A 52 19.695 6.275 4.721 1.00 0.00 H new ATOM 0 HA LYS A 52 21.391 8.583 5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 52 20.902 8.386 7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 52 19.814 9.318 6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.158 7.502 6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.262 6.456 7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.263 7.937 9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.364 9.161 8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.199 6.413 9.043 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.109 7.663 10.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.147 7.854 9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.109 9.093 8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.898 7.644 7.575 1.00 0.00 H new ATOM 842 N LYS A 53 22.924 6.643 5.178 1.00 0.00 N ATOM 843 CA LYS A 53 24.045 5.688 5.285 1.00 0.00 C ATOM 844 C LYS A 53 23.680 4.251 5.556 1.00 0.00 C ATOM 845 O LYS A 53 23.532 3.445 4.626 1.00 0.00 O ATOM 846 CB LYS A 53 25.174 6.185 6.189 1.00 0.00 C ATOM 847 CG LYS A 53 25.977 7.319 5.576 1.00 0.00 C ATOM 848 CD LYS A 53 26.641 6.875 4.273 1.00 0.00 C ATOM 849 CE LYS A 53 27.455 7.982 3.645 1.00 0.00 C ATOM 850 NZ LYS A 53 26.626 9.155 3.252 1.00 0.00 N ATOM 0 H LYS A 53 23.078 7.337 4.446 1.00 0.00 H new ATOM 0 HA LYS A 53 24.429 5.661 4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 53 24.751 6.519 7.137 1.00 0.00 H new ATOM 0 HB3 LYS A 53 25.843 5.354 6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 53 25.324 8.170 5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.738 7.654 6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 53 27.285 6.018 4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 53 25.876 6.545 3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 53 28.224 8.305 4.347 1.00 0.00 H new ATOM 0 HE3 LYS A 53 27.969 7.595 2.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 27.202 9.816 2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 25.817 8.833 2.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 26.279 9.636 4.106 1.00 0.00 H new ATOM 864 N GLY A 54 23.526 3.962 6.799 1.00 0.00 N ATOM 865 CA GLY A 54 23.256 2.634 7.259 1.00 0.00 C ATOM 866 C GLY A 54 21.840 2.175 7.013 1.00 0.00 C ATOM 867 O GLY A 54 21.565 0.999 7.107 1.00 0.00 O ATOM 0 H GLY A 54 23.584 4.653 7.547 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.941 1.944 6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.463 2.582 8.328 1.00 0.00 H new ATOM 871 N TYR A 55 20.933 3.085 6.727 1.00 0.00 N ATOM 872 CA TYR A 55 19.578 2.718 6.460 1.00 0.00 C ATOM 873 C TYR A 55 19.063 3.416 5.208 1.00 0.00 C ATOM 874 O TYR A 55 19.214 4.625 5.054 1.00 0.00 O ATOM 875 CB TYR A 55 18.741 3.051 7.704 1.00 0.00 C ATOM 876 CG TYR A 55 17.271 3.296 7.471 1.00 0.00 C ATOM 877 CD1 TYR A 55 16.329 2.284 7.523 1.00 0.00 C ATOM 878 CD2 TYR A 55 16.843 4.577 7.222 1.00 0.00 C ATOM 879 CE1 TYR A 55 14.987 2.561 7.325 1.00 0.00 C ATOM 880 CE2 TYR A 55 15.529 4.874 7.031 1.00 0.00 C ATOM 881 CZ TYR A 55 14.591 3.863 7.081 1.00 0.00 C ATOM 882 OH TYR A 55 13.249 4.154 6.906 1.00 0.00 O ATOM 0 H TYR A 55 21.121 4.086 6.676 1.00 0.00 H new ATOM 0 HA TYR A 55 19.503 1.649 6.260 1.00 0.00 H new ATOM 0 HB2 TYR A 55 18.843 2.231 8.415 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.166 3.937 8.176 1.00 0.00 H new ATOM 0 HD1 TYR A 55 16.643 1.270 7.720 1.00 0.00 H new ATOM 0 HD2 TYR A 55 17.572 5.373 7.176 1.00 0.00 H new ATOM 0 HE1 TYR A 55 14.256 1.767 7.361 1.00 0.00 H new ATOM 0 HE2 TYR A 55 15.223 5.892 6.842 1.00 0.00 H new ATOM 0 HH TYR A 55 13.141 5.115 6.745 1.00 0.00 H new ATOM 892 N VAL A 56 18.472 2.660 4.318 1.00 0.00 N ATOM 893 CA VAL A 56 17.883 3.210 3.122 1.00 0.00 C ATOM 894 C VAL A 56 16.438 2.710 2.997 1.00 0.00 C ATOM 895 O VAL A 56 16.152 1.549 3.244 1.00 0.00 O ATOM 896 CB VAL A 56 18.694 2.830 1.843 1.00 0.00 C ATOM 897 CG1 VAL A 56 18.005 3.340 0.605 1.00 0.00 C ATOM 898 CG2 VAL A 56 20.102 3.407 1.888 1.00 0.00 C ATOM 0 H VAL A 56 18.385 1.647 4.401 1.00 0.00 H new ATOM 0 HA VAL A 56 17.899 4.297 3.204 1.00 0.00 H new ATOM 0 HB VAL A 56 18.753 1.742 1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 56 18.587 3.064 -0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.010 2.900 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 56 17.919 4.425 0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 56 20.640 3.124 0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 56 20.048 4.494 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 56 20.627 3.017 2.760 1.00 0.00 H new ATOM 908 N LEU A 57 15.550 3.589 2.657 1.00 0.00 N ATOM 909 CA LEU A 57 14.162 3.268 2.482 1.00 0.00 C ATOM 910 C LEU A 57 13.754 3.368 1.000 1.00 0.00 C ATOM 911 O LEU A 57 13.869 4.439 0.367 1.00 0.00 O ATOM 912 CB LEU A 57 13.331 4.179 3.407 1.00 0.00 C ATOM 913 CG LEU A 57 11.837 4.366 3.121 1.00 0.00 C ATOM 914 CD1 LEU A 57 11.087 3.091 2.968 1.00 0.00 C ATOM 915 CD2 LEU A 57 11.179 5.262 4.148 1.00 0.00 C ATOM 0 H LEU A 57 15.770 4.571 2.489 1.00 0.00 H new ATOM 0 HA LEU A 57 13.970 2.233 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.426 3.792 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.793 5.166 3.398 1.00 0.00 H new ATOM 0 HG LEU A 57 11.791 4.859 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.038 3.308 2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.504 2.521 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.168 2.509 3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.121 5.371 3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.286 4.820 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.656 6.242 4.135 1.00 0.00 H new ATOM 927 N PHE A 58 13.317 2.243 0.464 1.00 0.00 N ATOM 928 CA PHE A 58 12.842 2.128 -0.916 1.00 0.00 C ATOM 929 C PHE A 58 11.425 1.639 -0.953 1.00 0.00 C ATOM 930 O PHE A 58 10.944 1.022 -0.014 1.00 0.00 O ATOM 931 CB PHE A 58 13.649 1.107 -1.717 1.00 0.00 C ATOM 932 CG PHE A 58 14.964 1.550 -2.230 1.00 0.00 C ATOM 933 CD1 PHE A 58 15.038 2.345 -3.358 1.00 0.00 C ATOM 934 CD2 PHE A 58 16.118 1.149 -1.626 1.00 0.00 C ATOM 935 CE1 PHE A 58 16.252 2.733 -3.870 1.00 0.00 C ATOM 936 CE2 PHE A 58 17.331 1.529 -2.124 1.00 0.00 C ATOM 937 CZ PHE A 58 17.404 2.323 -3.250 1.00 0.00 C ATOM 0 H PHE A 58 13.279 1.364 0.979 1.00 0.00 H new ATOM 0 HA PHE A 58 12.943 3.125 -1.345 1.00 0.00 H new ATOM 0 HB2 PHE A 58 13.807 0.231 -1.088 1.00 0.00 H new ATOM 0 HB3 PHE A 58 13.044 0.786 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 58 14.128 2.666 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 58 16.073 0.525 -0.746 1.00 0.00 H new ATOM 0 HE1 PHE A 58 16.299 3.355 -4.752 1.00 0.00 H new ATOM 0 HE2 PHE A 58 18.238 1.207 -1.634 1.00 0.00 H new ATOM 0 HZ PHE A 58 18.365 2.621 -3.642 1.00 0.00 H new ATOM 947 N ARG A 59 10.772 1.891 -2.041 1.00 0.00 N ATOM 948 CA ARG A 59 9.490 1.319 -2.286 1.00 0.00 C ATOM 949 C ARG A 59 9.456 0.786 -3.687 1.00 0.00 C ATOM 950 O ARG A 59 10.101 1.332 -4.587 1.00 0.00 O ATOM 951 CB ARG A 59 8.329 2.292 -2.037 1.00 0.00 C ATOM 952 CG ARG A 59 8.304 3.510 -2.917 1.00 0.00 C ATOM 953 CD ARG A 59 7.125 4.393 -2.585 1.00 0.00 C ATOM 954 NE ARG A 59 7.066 4.729 -1.153 1.00 0.00 N ATOM 955 CZ ARG A 59 6.311 5.682 -0.613 1.00 0.00 C ATOM 956 NH1 ARG A 59 5.573 6.481 -1.374 1.00 0.00 N ATOM 957 NH2 ARG A 59 6.311 5.830 0.700 1.00 0.00 N ATOM 0 H ARG A 59 11.113 2.500 -2.785 1.00 0.00 H new ATOM 0 HA ARG A 59 9.346 0.509 -1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.391 1.752 -2.168 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.367 2.617 -0.997 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.230 4.072 -2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.253 3.207 -3.963 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.185 5.311 -3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.203 3.890 -2.876 1.00 0.00 H new ATOM 0 HE ARG A 59 7.654 4.185 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.580 6.369 -2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.999 7.207 -0.945 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.884 5.219 1.282 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.738 6.555 1.131 1.00 0.00 H new ATOM 971 N LYS A 60 8.787 -0.290 -3.850 1.00 0.00 N ATOM 972 CA LYS A 60 8.595 -0.916 -5.120 1.00 0.00 C ATOM 973 C LYS A 60 7.186 -1.420 -5.159 1.00 0.00 C ATOM 974 O LYS A 60 6.727 -2.075 -4.229 1.00 0.00 O ATOM 975 CB LYS A 60 9.558 -2.084 -5.282 1.00 0.00 C ATOM 976 CG LYS A 60 9.355 -2.930 -6.528 1.00 0.00 C ATOM 977 CD LYS A 60 9.911 -2.290 -7.778 1.00 0.00 C ATOM 978 CE LYS A 60 11.417 -2.287 -7.769 1.00 0.00 C ATOM 979 NZ LYS A 60 11.964 -1.964 -9.097 1.00 0.00 N ATOM 0 H LYS A 60 8.337 -0.786 -3.080 1.00 0.00 H new ATOM 0 HA LYS A 60 8.781 -0.206 -5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.576 -1.695 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.470 -2.729 -4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.830 -3.900 -6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.289 -3.114 -6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.552 -2.828 -8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.544 -1.267 -7.859 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.776 -1.561 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.782 -3.264 -7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.994 -1.837 -9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.755 -2.740 -9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.530 -1.086 -9.447 1.00 0.00 H new ATOM 993 N GLN A 61 6.503 -1.107 -6.177 1.00 0.00 N ATOM 994 CA GLN A 61 5.156 -1.529 -6.311 1.00 0.00 C ATOM 995 C GLN A 61 4.984 -2.344 -7.568 1.00 0.00 C ATOM 996 O GLN A 61 5.028 -1.824 -8.679 1.00 0.00 O ATOM 997 CB GLN A 61 4.239 -0.333 -6.173 1.00 0.00 C ATOM 998 CG GLN A 61 4.646 0.881 -6.962 1.00 0.00 C ATOM 999 CD GLN A 61 3.969 2.126 -6.467 1.00 0.00 C ATOM 1000 OE1 GLN A 61 2.869 2.469 -6.891 1.00 0.00 O ATOM 1001 NE2 GLN A 61 4.657 2.848 -5.617 1.00 0.00 N ATOM 0 H GLN A 61 6.854 -0.547 -6.954 1.00 0.00 H new ATOM 0 HA GLN A 61 4.871 -2.208 -5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 61 3.236 -0.627 -6.481 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.181 -0.059 -5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 61 5.727 1.007 -6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 61 4.402 0.729 -8.013 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.567 2.523 -5.292 1.00 0.00 H new ATOM 0 HE22 GLN A 61 4.282 3.735 -5.281 1.00 0.00 H new ATOM 1010 N MET A 62 4.822 -3.636 -7.386 1.00 0.00 N ATOM 1011 CA MET A 62 4.845 -4.563 -8.490 1.00 0.00 C ATOM 1012 C MET A 62 3.680 -5.544 -8.392 1.00 0.00 C ATOM 1013 O MET A 62 2.879 -5.468 -7.456 1.00 0.00 O ATOM 1014 CB MET A 62 6.184 -5.349 -8.465 1.00 0.00 C ATOM 1015 CG MET A 62 6.221 -6.615 -7.559 1.00 0.00 C ATOM 1016 SD MET A 62 5.825 -6.350 -5.798 1.00 0.00 S ATOM 1017 CE MET A 62 7.220 -5.379 -5.268 1.00 0.00 C ATOM 0 H MET A 62 4.672 -4.069 -6.475 1.00 0.00 H new ATOM 0 HA MET A 62 4.754 -4.006 -9.422 1.00 0.00 H new ATOM 0 HB2 MET A 62 6.424 -5.650 -9.485 1.00 0.00 H new ATOM 0 HB3 MET A 62 6.973 -4.671 -8.139 1.00 0.00 H new ATOM 0 HG2 MET A 62 5.521 -7.347 -7.962 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.216 -7.056 -7.625 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.533 -5.703 -4.275 1.00 0.00 H new ATOM 0 HE2 MET A 62 8.044 -5.512 -5.969 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.939 -4.326 -5.234 1.00 0.00 H new ATOM 1027 N ASP A 63 3.628 -6.455 -9.366 1.00 0.00 N ATOM 1028 CA ASP A 63 2.671 -7.565 -9.460 1.00 0.00 C ATOM 1029 C ASP A 63 1.247 -7.079 -9.668 1.00 0.00 C ATOM 1030 O ASP A 63 0.784 -7.025 -10.810 1.00 0.00 O ATOM 1031 CB ASP A 63 2.796 -8.547 -8.276 1.00 0.00 C ATOM 1032 CG ASP A 63 1.933 -9.773 -8.448 1.00 0.00 C ATOM 1033 OD1 ASP A 63 2.073 -10.467 -9.463 1.00 0.00 O ATOM 1034 OD2 ASP A 63 1.131 -10.089 -7.561 1.00 0.00 O ATOM 0 H ASP A 63 4.282 -6.440 -10.149 1.00 0.00 H new ATOM 0 HA ASP A 63 2.935 -8.131 -10.354 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.837 -8.852 -8.169 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.517 -8.037 -7.354 1.00 0.00 H new ATOM 1039 N ASP A 64 0.583 -6.711 -8.588 1.00 0.00 N ATOM 1040 CA ASP A 64 -0.757 -6.120 -8.595 1.00 0.00 C ATOM 1041 C ASP A 64 -1.197 -5.731 -7.203 1.00 0.00 C ATOM 1042 O ASP A 64 -0.755 -4.704 -6.687 1.00 0.00 O ATOM 1043 CB ASP A 64 -1.869 -6.887 -9.396 1.00 0.00 C ATOM 1044 CG ASP A 64 -2.060 -8.369 -9.082 1.00 0.00 C ATOM 1045 OD1 ASP A 64 -2.577 -8.718 -7.999 1.00 0.00 O ATOM 1046 OD2 ASP A 64 -1.745 -9.208 -9.952 1.00 0.00 O ATOM 0 H ASP A 64 0.967 -6.815 -7.649 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.637 -5.214 -9.189 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.819 -6.380 -9.224 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.645 -6.793 -10.459 1.00 0.00 H new ATOM 1051 N ILE A 65 -2.020 -6.522 -6.581 1.00 0.00 N ATOM 1052 CA ILE A 65 -2.425 -6.243 -5.243 1.00 0.00 C ATOM 1053 C ILE A 65 -1.796 -7.270 -4.332 1.00 0.00 C ATOM 1054 O ILE A 65 -1.235 -8.270 -4.810 1.00 0.00 O ATOM 1055 CB ILE A 65 -3.966 -6.224 -5.038 1.00 0.00 C ATOM 1056 CG1 ILE A 65 -4.565 -7.607 -5.221 1.00 0.00 C ATOM 1057 CG2 ILE A 65 -4.622 -5.223 -5.983 1.00 0.00 C ATOM 1058 CD1 ILE A 65 -6.029 -7.686 -4.873 1.00 0.00 C ATOM 0 H ILE A 65 -2.423 -7.368 -6.984 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.086 -5.235 -5.005 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.162 -5.910 -4.013 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.430 -7.917 -6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.015 -8.316 -4.602 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.700 -5.225 -5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.228 -4.226 -5.787 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.407 -5.502 -7.015 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.386 -8.704 -5.029 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.170 -7.408 -3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.592 -7.003 -5.510 1.00 0.00 H new ATOM 1070 N SER A 66 -1.867 -7.036 -3.064 1.00 0.00 N ATOM 1071 CA SER A 66 -1.264 -7.903 -2.092 1.00 0.00 C ATOM 1072 C SER A 66 -1.949 -9.291 -2.117 1.00 0.00 C ATOM 1073 O SER A 66 -3.171 -9.396 -2.310 1.00 0.00 O ATOM 1074 CB SER A 66 -1.368 -7.253 -0.718 1.00 0.00 C ATOM 1075 OG SER A 66 -0.641 -7.955 0.279 1.00 0.00 O ATOM 0 H SER A 66 -2.349 -6.231 -2.664 1.00 0.00 H new ATOM 0 HA SER A 66 -0.211 -8.055 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.999 -6.229 -0.777 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.417 -7.198 -0.426 1.00 0.00 H new ATOM 0 HG SER A 66 -0.392 -7.338 0.998 1.00 0.00 H new ATOM 1081 N PRO A 67 -1.169 -10.371 -1.947 1.00 0.00 N ATOM 1082 CA PRO A 67 -1.692 -11.733 -1.988 1.00 0.00 C ATOM 1083 C PRO A 67 -2.660 -12.009 -0.837 1.00 0.00 C ATOM 1084 O PRO A 67 -3.652 -12.722 -1.000 1.00 0.00 O ATOM 1085 CB PRO A 67 -0.453 -12.630 -1.897 1.00 0.00 C ATOM 1086 CG PRO A 67 0.665 -11.756 -1.430 1.00 0.00 C ATOM 1087 CD PRO A 67 0.284 -10.330 -1.720 1.00 0.00 C ATOM 0 HA PRO A 67 -2.268 -11.914 -2.895 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.619 -13.453 -1.202 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.222 -13.073 -2.866 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.839 -11.896 -0.363 1.00 0.00 H new ATOM 0 HG3 PRO A 67 1.592 -12.015 -1.941 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.536 -9.675 -0.886 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.811 -9.949 -2.595 1.00 0.00 H new ATOM 1095 N LEU A 68 -2.395 -11.404 0.308 1.00 0.00 N ATOM 1096 CA LEU A 68 -3.240 -11.553 1.478 1.00 0.00 C ATOM 1097 C LEU A 68 -4.578 -10.866 1.191 1.00 0.00 C ATOM 1098 O LEU A 68 -5.618 -11.302 1.613 1.00 0.00 O ATOM 1099 CB LEU A 68 -2.539 -10.924 2.713 1.00 0.00 C ATOM 1100 CG LEU A 68 -2.924 -11.451 4.127 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -4.375 -11.164 4.501 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -2.639 -12.941 4.227 1.00 0.00 C ATOM 0 H LEU A 68 -1.588 -10.796 0.452 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.416 -12.606 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.464 -11.058 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.731 -9.851 2.694 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.306 -10.908 4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.578 -11.557 5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.547 -10.088 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.038 -11.642 3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.912 -13.298 5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.223 -13.474 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.578 -13.121 4.056 1.00 0.00 H new ATOM 1114 N SER A 69 -4.536 -9.837 0.407 1.00 0.00 N ATOM 1115 CA SER A 69 -5.714 -9.102 0.051 1.00 0.00 C ATOM 1116 C SER A 69 -6.673 -9.938 -0.797 1.00 0.00 C ATOM 1117 O SER A 69 -7.861 -9.684 -0.814 1.00 0.00 O ATOM 1118 CB SER A 69 -5.294 -7.863 -0.650 1.00 0.00 C ATOM 1119 OG SER A 69 -4.381 -7.171 0.180 1.00 0.00 O ATOM 0 H SER A 69 -3.677 -9.477 -0.010 1.00 0.00 H new ATOM 0 HA SER A 69 -6.267 -8.842 0.953 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.829 -8.106 -1.606 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.160 -7.237 -0.867 1.00 0.00 H new ATOM 0 HG SER A 69 -4.263 -6.257 -0.154 1.00 0.00 H new ATOM 1125 N LYS A 70 -6.140 -10.939 -1.467 1.00 0.00 N ATOM 1126 CA LYS A 70 -6.931 -11.852 -2.267 1.00 0.00 C ATOM 1127 C LYS A 70 -7.592 -12.914 -1.377 1.00 0.00 C ATOM 1128 O LYS A 70 -8.553 -13.573 -1.781 1.00 0.00 O ATOM 1129 CB LYS A 70 -6.030 -12.490 -3.314 1.00 0.00 C ATOM 1130 CG LYS A 70 -5.277 -11.438 -4.086 1.00 0.00 C ATOM 1131 CD LYS A 70 -4.292 -11.990 -5.080 1.00 0.00 C ATOM 1132 CE LYS A 70 -3.545 -10.826 -5.681 1.00 0.00 C ATOM 1133 NZ LYS A 70 -2.671 -11.182 -6.810 1.00 0.00 N ATOM 0 H LYS A 70 -5.141 -11.143 -1.472 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.731 -11.308 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.325 -13.166 -2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.629 -13.090 -3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.993 -10.808 -4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.746 -10.797 -3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.601 -12.677 -4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.808 -12.555 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.267 -10.081 -6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.941 -10.357 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.562 -10.360 -7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.739 -11.469 -6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.094 -11.969 -7.342 1.00 0.00 H new ATOM 1147 N VAL A 71 -7.075 -13.076 -0.164 1.00 0.00 N ATOM 1148 CA VAL A 71 -7.671 -14.007 0.802 1.00 0.00 C ATOM 1149 C VAL A 71 -8.656 -13.220 1.677 1.00 0.00 C ATOM 1150 O VAL A 71 -9.627 -13.756 2.209 1.00 0.00 O ATOM 1151 CB VAL A 71 -6.584 -14.723 1.704 1.00 0.00 C ATOM 1152 CG1 VAL A 71 -5.378 -15.128 0.890 1.00 0.00 C ATOM 1153 CG2 VAL A 71 -6.160 -13.909 2.913 1.00 0.00 C ATOM 0 H VAL A 71 -6.251 -12.581 0.177 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.184 -14.798 0.254 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.070 -15.618 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.650 -15.617 1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.685 -15.817 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.928 -14.243 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.414 -14.464 3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.733 -12.962 2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.028 -13.716 3.544 1.00 0.00 H new ATOM 1163 N ASN A 72 -8.378 -11.941 1.785 1.00 0.00 N ATOM 1164 CA ASN A 72 -9.158 -10.994 2.572 1.00 0.00 C ATOM 1165 C ASN A 72 -10.344 -10.432 1.756 1.00 0.00 C ATOM 1166 O ASN A 72 -11.484 -10.796 1.991 1.00 0.00 O ATOM 1167 CB ASN A 72 -8.209 -9.882 3.073 1.00 0.00 C ATOM 1168 CG ASN A 72 -8.878 -8.732 3.802 1.00 0.00 C ATOM 1169 OD1 ASN A 72 -9.917 -8.881 4.427 1.00 0.00 O ATOM 1170 ND2 ASN A 72 -8.256 -7.578 3.750 1.00 0.00 N ATOM 0 H ASN A 72 -7.580 -11.511 1.316 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.600 -11.496 3.433 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.471 -10.331 3.738 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.665 -9.480 2.218 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.638 -6.770 4.241 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.390 -7.489 3.218 1.00 0.00 H new ATOM 1177 N GLY A 73 -10.061 -9.573 0.784 1.00 0.00 N ATOM 1178 CA GLY A 73 -11.107 -9.020 -0.075 1.00 0.00 C ATOM 1179 C GLY A 73 -11.829 -7.798 0.495 1.00 0.00 C ATOM 1180 O GLY A 73 -12.361 -6.977 -0.248 1.00 0.00 O ATOM 0 H GLY A 73 -9.120 -9.244 0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.664 -8.748 -1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.843 -9.799 -0.274 1.00 0.00 H new ATOM 1184 N TYR A 74 -11.700 -7.608 1.771 1.00 0.00 N ATOM 1185 CA TYR A 74 -12.480 -6.701 2.537 1.00 0.00 C ATOM 1186 C TYR A 74 -12.032 -5.305 2.381 1.00 0.00 C ATOM 1187 O TYR A 74 -10.932 -4.892 2.775 1.00 0.00 O ATOM 1188 CB TYR A 74 -12.555 -7.113 4.013 1.00 0.00 C ATOM 1189 CG TYR A 74 -13.620 -8.160 4.337 1.00 0.00 C ATOM 1190 CD1 TYR A 74 -13.839 -9.270 3.535 1.00 0.00 C ATOM 1191 CD2 TYR A 74 -14.410 -8.017 5.459 1.00 0.00 C ATOM 1192 CE1 TYR A 74 -14.821 -10.194 3.851 1.00 0.00 C ATOM 1193 CE2 TYR A 74 -15.381 -8.931 5.782 1.00 0.00 C ATOM 1194 CZ TYR A 74 -15.586 -10.012 4.979 1.00 0.00 C ATOM 1195 OH TYR A 74 -16.574 -10.926 5.308 1.00 0.00 O ATOM 0 H TYR A 74 -11.011 -8.110 2.331 1.00 0.00 H new ATOM 0 HA TYR A 74 -13.493 -6.751 2.138 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -11.582 -7.500 4.317 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -12.746 -6.224 4.614 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -13.235 -9.416 2.652 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -14.260 -7.162 6.101 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -14.985 -11.052 3.216 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -15.981 -8.794 6.670 1.00 0.00 H new ATOM 0 HH TYR A 74 -17.017 -10.645 6.136 1.00 0.00 H new ATOM 1205 N ILE A 75 -12.835 -4.637 1.710 1.00 0.00 N ATOM 1206 CA ILE A 75 -12.745 -3.269 1.481 1.00 0.00 C ATOM 1207 C ILE A 75 -13.779 -2.674 2.351 1.00 0.00 C ATOM 1208 O ILE A 75 -14.910 -3.193 2.393 1.00 0.00 O ATOM 1209 CB ILE A 75 -13.094 -3.030 0.042 1.00 0.00 C ATOM 1210 CG1 ILE A 75 -11.993 -3.564 -0.839 1.00 0.00 C ATOM 1211 CG2 ILE A 75 -13.403 -1.546 -0.253 1.00 0.00 C ATOM 1212 CD1 ILE A 75 -12.367 -3.646 -2.309 1.00 0.00 C ATOM 0 H ILE A 75 -13.649 -5.058 1.262 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.759 -2.852 1.684 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.014 -3.570 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.115 -2.927 -0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.711 -4.557 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -13.649 -1.428 -1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -14.248 -1.222 0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.530 -0.938 -0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.524 -4.039 -2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -13.226 -4.307 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -12.620 -2.651 -2.676 1.00 0.00 H new ATOM 1224 N GLY A 76 -13.435 -1.668 3.061 1.00 0.00 N ATOM 1225 CA GLY A 76 -14.397 -1.118 3.933 1.00 0.00 C ATOM 1226 C GLY A 76 -14.442 0.368 3.973 1.00 0.00 C ATOM 1227 O GLY A 76 -13.625 1.085 3.360 1.00 0.00 O ATOM 0 H GLY A 76 -12.520 -1.218 3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.380 -1.487 3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.203 -1.487 4.940 1.00 0.00 H new ATOM 1231 N VAL A 77 -15.425 0.838 4.643 1.00 0.00 N ATOM 1232 CA VAL A 77 -15.536 2.212 4.888 1.00 0.00 C ATOM 1233 C VAL A 77 -15.758 2.478 6.325 1.00 0.00 C ATOM 1234 O VAL A 77 -16.342 1.665 7.053 1.00 0.00 O ATOM 1235 CB VAL A 77 -16.635 2.932 4.077 1.00 0.00 C ATOM 1236 CG1 VAL A 77 -16.384 2.854 2.598 1.00 0.00 C ATOM 1237 CG2 VAL A 77 -17.998 2.421 4.440 1.00 0.00 C ATOM 0 H VAL A 77 -16.176 0.272 5.036 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.581 2.621 4.556 1.00 0.00 H new ATOM 0 HB VAL A 77 -16.599 3.988 4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -17.181 3.373 2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -15.428 3.323 2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -16.361 1.809 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.752 2.946 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -18.054 1.353 4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -18.180 2.592 5.501 1.00 0.00 H new ATOM 1247 N SER A 78 -15.279 3.586 6.738 1.00 0.00 N ATOM 1248 CA SER A 78 -15.580 4.071 8.025 1.00 0.00 C ATOM 1249 C SER A 78 -16.886 4.845 7.857 1.00 0.00 C ATOM 1250 O SER A 78 -17.242 5.180 6.711 1.00 0.00 O ATOM 1251 CB SER A 78 -14.455 4.953 8.518 1.00 0.00 C ATOM 1252 OG SER A 78 -13.204 4.278 8.451 1.00 0.00 O ATOM 0 H SER A 78 -14.663 4.186 6.189 1.00 0.00 H new ATOM 0 HA SER A 78 -15.689 3.279 8.766 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.413 5.862 7.918 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.652 5.258 9.546 1.00 0.00 H new ATOM 0 HG SER A 78 -12.494 4.872 8.774 1.00 0.00 H new ATOM 1258 N ASP A 79 -17.565 5.164 8.943 1.00 0.00 N ATOM 1259 CA ASP A 79 -18.918 5.732 8.924 1.00 0.00 C ATOM 1260 C ASP A 79 -19.079 7.014 8.097 1.00 0.00 C ATOM 1261 O ASP A 79 -20.204 7.369 7.699 1.00 0.00 O ATOM 1262 CB ASP A 79 -19.412 5.947 10.342 1.00 0.00 C ATOM 1263 CG ASP A 79 -19.511 4.666 11.122 1.00 0.00 C ATOM 1264 OD1 ASP A 79 -20.484 3.928 10.951 1.00 0.00 O ATOM 1265 OD2 ASP A 79 -18.596 4.362 11.914 1.00 0.00 O ATOM 0 H ASP A 79 -17.193 5.037 9.884 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.534 4.992 8.412 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.737 6.630 10.858 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -20.390 6.426 10.313 1.00 0.00 H new ATOM 1270 N ASN A 80 -17.995 7.706 7.826 1.00 0.00 N ATOM 1271 CA ASN A 80 -18.062 8.913 7.013 1.00 0.00 C ATOM 1272 C ASN A 80 -17.751 8.637 5.551 1.00 0.00 C ATOM 1273 O ASN A 80 -17.569 9.555 4.793 1.00 0.00 O ATOM 1274 CB ASN A 80 -17.145 10.016 7.539 1.00 0.00 C ATOM 1275 CG ASN A 80 -17.601 10.593 8.856 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -18.413 11.519 8.900 1.00 0.00 O ATOM 1277 ND2 ASN A 80 -17.053 10.108 9.919 1.00 0.00 N ATOM 0 H ASN A 80 -17.060 7.461 8.151 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.092 9.262 7.085 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -16.137 9.617 7.654 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -17.089 10.815 6.800 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -17.288 10.492 10.834 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -16.385 9.341 9.844 1.00 0.00 H new ATOM 1284 N GLY A 81 -17.707 7.365 5.178 1.00 0.00 N ATOM 1285 CA GLY A 81 -17.446 6.956 3.824 1.00 0.00 C ATOM 1286 C GLY A 81 -15.984 6.871 3.513 1.00 0.00 C ATOM 1287 O GLY A 81 -15.567 7.180 2.421 1.00 0.00 O ATOM 0 H GLY A 81 -17.854 6.588 5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.907 5.984 3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.918 7.661 3.139 1.00 0.00 H new ATOM 1291 N VAL A 82 -15.206 6.451 4.470 1.00 0.00 N ATOM 1292 CA VAL A 82 -13.763 6.364 4.265 1.00 0.00 C ATOM 1293 C VAL A 82 -13.426 5.044 3.539 1.00 0.00 C ATOM 1294 O VAL A 82 -13.582 4.004 4.094 1.00 0.00 O ATOM 1295 CB VAL A 82 -12.993 6.474 5.606 1.00 0.00 C ATOM 1296 CG1 VAL A 82 -11.504 6.614 5.363 1.00 0.00 C ATOM 1297 CG2 VAL A 82 -13.509 7.651 6.426 1.00 0.00 C ATOM 0 H VAL A 82 -15.528 6.163 5.394 1.00 0.00 H new ATOM 0 HA VAL A 82 -13.447 7.203 3.645 1.00 0.00 H new ATOM 0 HB VAL A 82 -13.164 5.557 6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.985 6.690 6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.140 5.741 4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -11.314 7.512 4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -12.956 7.712 7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -13.372 8.574 5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -14.569 7.510 6.638 1.00 0.00 H new ATOM 1307 N ILE A 83 -12.836 5.163 2.374 1.00 0.00 N ATOM 1308 CA ILE A 83 -12.630 4.091 1.331 1.00 0.00 C ATOM 1309 C ILE A 83 -11.428 3.162 1.643 1.00 0.00 C ATOM 1310 O ILE A 83 -10.675 2.733 0.776 1.00 0.00 O ATOM 1311 CB ILE A 83 -12.543 4.733 -0.110 1.00 0.00 C ATOM 1312 CG1 ILE A 83 -13.753 5.649 -0.326 1.00 0.00 C ATOM 1313 CG2 ILE A 83 -12.523 3.668 -1.219 1.00 0.00 C ATOM 1314 CD1 ILE A 83 -15.077 4.964 -0.058 1.00 0.00 C ATOM 0 H ILE A 83 -12.448 6.057 2.074 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.504 3.440 1.356 1.00 0.00 H new ATOM 0 HB ILE A 83 -11.611 5.295 -0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.663 6.518 0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -13.743 6.017 -1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.463 4.157 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.658 3.019 -1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -13.435 3.073 -1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -15.892 5.667 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.187 4.111 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -15.106 4.620 0.976 1.00 0.00 H new ATOM 1326 N SER A 84 -11.248 2.897 2.869 1.00 0.00 N ATOM 1327 CA SER A 84 -10.039 2.255 3.324 1.00 0.00 C ATOM 1328 C SER A 84 -10.219 0.741 3.399 1.00 0.00 C ATOM 1329 O SER A 84 -11.234 0.244 3.836 1.00 0.00 O ATOM 1330 CB SER A 84 -9.701 2.795 4.692 1.00 0.00 C ATOM 1331 OG SER A 84 -9.611 4.208 4.660 1.00 0.00 O ATOM 0 H SER A 84 -11.920 3.109 3.606 1.00 0.00 H new ATOM 0 HA SER A 84 -9.234 2.463 2.620 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.464 2.490 5.408 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.756 2.372 5.033 1.00 0.00 H new ATOM 0 HG SER A 84 -9.239 4.531 5.507 1.00 0.00 H new ATOM 1337 N THR A 85 -9.232 0.005 3.015 1.00 0.00 N ATOM 1338 CA THR A 85 -9.372 -1.403 3.057 1.00 0.00 C ATOM 1339 C THR A 85 -8.944 -1.902 4.426 1.00 0.00 C ATOM 1340 O THR A 85 -8.062 -1.299 5.084 1.00 0.00 O ATOM 1341 CB THR A 85 -8.590 -2.103 1.908 1.00 0.00 C ATOM 1342 OG1 THR A 85 -7.194 -1.810 1.992 1.00 0.00 O ATOM 1343 CG2 THR A 85 -9.106 -1.628 0.561 1.00 0.00 C ATOM 0 H THR A 85 -8.335 0.351 2.674 1.00 0.00 H new ATOM 0 HA THR A 85 -10.420 -1.659 2.899 1.00 0.00 H new ATOM 0 HB THR A 85 -8.740 -3.178 2.008 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.811 -1.782 1.090 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.552 -2.124 -0.236 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.165 -1.869 0.471 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.972 -0.549 0.480 1.00 0.00 H new ATOM 1351 N PHE A 86 -9.622 -2.922 4.897 1.00 0.00 N ATOM 1352 CA PHE A 86 -9.382 -3.458 6.206 1.00 0.00 C ATOM 1353 C PHE A 86 -9.116 -4.929 6.109 1.00 0.00 C ATOM 1354 O PHE A 86 -9.421 -5.549 5.099 1.00 0.00 O ATOM 1355 CB PHE A 86 -10.590 -3.258 7.134 1.00 0.00 C ATOM 1356 CG PHE A 86 -10.839 -1.859 7.631 1.00 0.00 C ATOM 1357 CD1 PHE A 86 -11.122 -0.833 6.764 1.00 0.00 C ATOM 1358 CD2 PHE A 86 -10.850 -1.601 8.989 1.00 0.00 C ATOM 1359 CE1 PHE A 86 -11.406 0.435 7.230 1.00 0.00 C ATOM 1360 CE2 PHE A 86 -11.123 -0.336 9.470 1.00 0.00 C ATOM 1361 CZ PHE A 86 -11.405 0.685 8.588 1.00 0.00 C ATOM 0 H PHE A 86 -10.357 -3.402 4.377 1.00 0.00 H new ATOM 0 HA PHE A 86 -8.523 -2.929 6.619 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -11.483 -3.595 6.607 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -10.465 -3.909 7.999 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -11.122 -1.021 5.700 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.642 -2.401 9.684 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -11.629 1.230 6.534 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.116 -0.147 10.533 1.00 0.00 H new ATOM 0 HZ PHE A 86 -11.624 1.676 8.957 1.00 0.00 H new ATOM 1371 N HIS A 87 -8.543 -5.467 7.131 1.00 0.00 N ATOM 1372 CA HIS A 87 -8.357 -6.887 7.248 1.00 0.00 C ATOM 1373 C HIS A 87 -9.495 -7.450 8.085 1.00 0.00 C ATOM 1374 O HIS A 87 -9.533 -7.279 9.306 1.00 0.00 O ATOM 1375 CB HIS A 87 -6.956 -7.241 7.830 1.00 0.00 C ATOM 1376 CG HIS A 87 -6.476 -6.345 8.958 1.00 0.00 C ATOM 1377 ND1 HIS A 87 -7.094 -6.235 10.183 1.00 0.00 N ATOM 1378 CD2 HIS A 87 -5.430 -5.484 8.995 1.00 0.00 C ATOM 1379 CE1 HIS A 87 -6.425 -5.338 10.907 1.00 0.00 C ATOM 1380 NE2 HIS A 87 -5.402 -4.849 10.230 1.00 0.00 N ATOM 0 H HIS A 87 -8.183 -4.933 7.922 1.00 0.00 H new ATOM 0 HA HIS A 87 -8.382 -7.345 6.259 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -6.980 -8.269 8.190 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.225 -7.203 7.022 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -7.921 -6.751 10.484 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.729 -5.318 8.191 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.685 -5.049 11.915 1.00 0.00 H new ATOM 1388 N GLY A 88 -10.444 -8.056 7.422 1.00 0.00 N ATOM 1389 CA GLY A 88 -11.614 -8.533 8.104 1.00 0.00 C ATOM 1390 C GLY A 88 -12.647 -7.429 8.191 1.00 0.00 C ATOM 1391 O GLY A 88 -12.563 -6.455 7.427 1.00 0.00 O ATOM 0 H GLY A 88 -10.429 -8.229 6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.030 -9.391 7.575 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.348 -8.874 9.105 1.00 0.00 H new ATOM 1395 N ARG A 89 -13.614 -7.583 9.093 1.00 0.00 N ATOM 1396 CA ARG A 89 -14.682 -6.603 9.315 1.00 0.00 C ATOM 1397 C ARG A 89 -14.170 -5.168 9.465 1.00 0.00 C ATOM 1398 O ARG A 89 -13.419 -4.874 10.381 1.00 0.00 O ATOM 1399 CB ARG A 89 -15.476 -6.990 10.552 1.00 0.00 C ATOM 1400 CG ARG A 89 -16.621 -7.918 10.284 1.00 0.00 C ATOM 1401 CD ARG A 89 -17.741 -7.150 9.616 1.00 0.00 C ATOM 1402 NE ARG A 89 -18.169 -5.988 10.427 1.00 0.00 N ATOM 1403 CZ ARG A 89 -19.259 -5.250 10.198 1.00 0.00 C ATOM 1404 NH1 ARG A 89 -20.196 -5.683 9.362 1.00 0.00 N ATOM 1405 NH2 ARG A 89 -19.439 -4.115 10.870 1.00 0.00 N ATOM 0 H ARG A 89 -13.681 -8.401 9.699 1.00 0.00 H new ATOM 0 HA ARG A 89 -15.313 -6.620 8.427 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -14.803 -7.460 11.269 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -15.860 -6.084 11.021 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -16.296 -8.740 9.645 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -16.973 -8.359 11.217 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -17.412 -6.807 8.635 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -18.591 -7.813 9.454 1.00 0.00 H new ATOM 0 HE ARG A 89 -17.586 -5.730 11.223 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -20.085 -6.582 8.892 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -21.027 -5.117 9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -18.747 -3.813 11.555 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -20.269 -3.547 10.699 1.00 0.00 H new ATOM 1419 N PRO A 90 -14.578 -4.261 8.570 1.00 0.00 N ATOM 1420 CA PRO A 90 -14.186 -2.875 8.627 1.00 0.00 C ATOM 1421 C PRO A 90 -15.032 -2.080 9.615 1.00 0.00 C ATOM 1422 O PRO A 90 -16.099 -1.546 9.288 1.00 0.00 O ATOM 1423 CB PRO A 90 -14.378 -2.365 7.206 1.00 0.00 C ATOM 1424 CG PRO A 90 -15.365 -3.289 6.575 1.00 0.00 C ATOM 1425 CD PRO A 90 -15.442 -4.533 7.422 1.00 0.00 C ATOM 0 HA PRO A 90 -13.160 -2.762 8.977 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -14.746 -1.339 7.205 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.435 -2.366 6.659 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.343 -2.813 6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -15.059 -3.538 5.559 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -16.466 -4.734 7.737 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -15.101 -5.409 6.870 1.00 0.00 H new ATOM 1433 N GLU A 91 -14.604 -2.089 10.829 1.00 0.00 N ATOM 1434 CA GLU A 91 -15.271 -1.400 11.882 1.00 0.00 C ATOM 1435 C GLU A 91 -14.203 -0.781 12.796 1.00 0.00 C ATOM 1436 O GLU A 91 -13.026 -1.080 12.600 1.00 0.00 O ATOM 1437 CB GLU A 91 -16.228 -2.386 12.589 1.00 0.00 C ATOM 1438 CG GLU A 91 -15.591 -3.613 13.194 1.00 0.00 C ATOM 1439 CD GLU A 91 -16.650 -4.528 13.743 1.00 0.00 C ATOM 1440 OE1 GLU A 91 -17.242 -5.313 12.961 1.00 0.00 O ATOM 1441 OE2 GLU A 91 -16.945 -4.463 14.948 1.00 0.00 O ATOM 0 H GLU A 91 -13.764 -2.585 11.126 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.893 -0.579 11.524 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -16.753 -1.848 13.378 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -16.980 -2.710 11.869 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.003 -4.136 12.440 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.904 -3.321 13.988 1.00 0.00 H new ATOM 1448 N PRO A 92 -14.560 0.082 13.798 1.00 0.00 N ATOM 1449 CA PRO A 92 -13.568 0.732 14.675 1.00 0.00 C ATOM 1450 C PRO A 92 -12.806 -0.256 15.529 1.00 0.00 C ATOM 1451 O PRO A 92 -11.764 0.066 16.091 1.00 0.00 O ATOM 1452 CB PRO A 92 -14.385 1.648 15.577 1.00 0.00 C ATOM 1453 CG PRO A 92 -15.790 1.181 15.469 1.00 0.00 C ATOM 1454 CD PRO A 92 -15.926 0.493 14.144 1.00 0.00 C ATOM 0 HA PRO A 92 -12.820 1.255 14.078 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -14.034 1.595 16.608 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.294 2.688 15.263 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.033 0.499 16.284 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.481 2.021 15.540 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -16.594 -0.366 14.210 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -16.341 1.162 13.391 1.00 0.00 H new ATOM 1462 N ALA A 93 -13.340 -1.443 15.645 1.00 0.00 N ATOM 1463 CA ALA A 93 -12.687 -2.492 16.372 1.00 0.00 C ATOM 1464 C ALA A 93 -11.522 -3.034 15.566 1.00 0.00 C ATOM 1465 O ALA A 93 -10.634 -3.703 16.093 1.00 0.00 O ATOM 1466 CB ALA A 93 -13.672 -3.580 16.698 1.00 0.00 C ATOM 0 H ALA A 93 -14.238 -1.707 15.238 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.297 -2.094 17.309 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.168 -4.373 17.250 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.479 -3.170 17.306 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.084 -3.986 15.774 1.00 0.00 H new ATOM 1472 N SER A 94 -11.521 -2.724 14.300 1.00 0.00 N ATOM 1473 CA SER A 94 -10.490 -3.166 13.423 1.00 0.00 C ATOM 1474 C SER A 94 -9.556 -2.002 13.053 1.00 0.00 C ATOM 1475 O SER A 94 -9.738 -0.863 13.522 1.00 0.00 O ATOM 1476 CB SER A 94 -11.133 -3.771 12.207 1.00 0.00 C ATOM 1477 OG SER A 94 -12.008 -4.821 12.586 1.00 0.00 O ATOM 0 H SER A 94 -12.240 -2.156 13.852 1.00 0.00 H new ATOM 0 HA SER A 94 -9.873 -3.919 13.914 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.686 -3.007 11.661 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.366 -4.153 11.533 1.00 0.00 H new ATOM 0 HG SER A 94 -12.534 -5.105 11.809 1.00 0.00 H new ATOM 1483 N GLU A 95 -8.561 -2.277 12.232 1.00 0.00 N ATOM 1484 CA GLU A 95 -7.586 -1.277 11.867 1.00 0.00 C ATOM 1485 C GLU A 95 -7.581 -1.052 10.368 1.00 0.00 C ATOM 1486 O GLU A 95 -7.608 -2.021 9.596 1.00 0.00 O ATOM 1487 CB GLU A 95 -6.192 -1.706 12.316 1.00 0.00 C ATOM 1488 CG GLU A 95 -6.084 -1.977 13.798 1.00 0.00 C ATOM 1489 CD GLU A 95 -4.708 -2.393 14.205 1.00 0.00 C ATOM 1490 OE1 GLU A 95 -4.322 -3.552 13.951 1.00 0.00 O ATOM 1491 OE2 GLU A 95 -3.996 -1.592 14.836 1.00 0.00 O ATOM 0 H GLU A 95 -8.409 -3.191 11.805 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.858 -0.346 12.365 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.906 -2.605 11.770 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.478 -0.928 12.046 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.367 -1.080 14.350 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.793 -2.758 14.074 1.00 0.00 H new ATOM 1498 N PRO A 96 -7.606 0.216 9.923 1.00 0.00 N ATOM 1499 CA PRO A 96 -7.474 0.539 8.520 1.00 0.00 C ATOM 1500 C PRO A 96 -6.050 0.275 8.073 1.00 0.00 C ATOM 1501 O PRO A 96 -5.090 0.576 8.798 1.00 0.00 O ATOM 1502 CB PRO A 96 -7.777 2.044 8.436 1.00 0.00 C ATOM 1503 CG PRO A 96 -8.315 2.421 9.771 1.00 0.00 C ATOM 1504 CD PRO A 96 -7.772 1.422 10.746 1.00 0.00 C ATOM 0 HA PRO A 96 -8.137 -0.053 7.888 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.877 2.612 8.202 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -8.501 2.254 7.648 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -8.010 3.432 10.041 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.405 2.407 9.768 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.826 1.751 11.176 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.458 1.253 11.576 1.00 0.00 H new ATOM 1512 N ILE A 97 -5.908 -0.299 6.923 1.00 0.00 N ATOM 1513 CA ILE A 97 -4.599 -0.615 6.403 1.00 0.00 C ATOM 1514 C ILE A 97 -3.968 0.666 5.831 1.00 0.00 C ATOM 1515 O ILE A 97 -2.776 0.925 5.978 1.00 0.00 O ATOM 1516 CB ILE A 97 -4.720 -1.713 5.317 1.00 0.00 C ATOM 1517 CG1 ILE A 97 -5.446 -2.936 5.900 1.00 0.00 C ATOM 1518 CG2 ILE A 97 -3.344 -2.115 4.803 1.00 0.00 C ATOM 1519 CD1 ILE A 97 -5.888 -3.945 4.866 1.00 0.00 C ATOM 0 H ILE A 97 -6.683 -0.564 6.315 1.00 0.00 H new ATOM 0 HA ILE A 97 -3.958 -0.997 7.198 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.294 -1.317 4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.787 -3.429 6.614 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.320 -2.595 6.455 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.451 -2.887 4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.849 -1.245 4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.746 -2.501 5.628 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.391 -4.776 5.360 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.574 -3.470 4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.018 -4.318 4.326 1.00 0.00 H new ATOM 1531 N GLN A 98 -4.804 1.480 5.248 1.00 0.00 N ATOM 1532 CA GLN A 98 -4.426 2.741 4.652 1.00 0.00 C ATOM 1533 C GLN A 98 -5.707 3.551 4.619 1.00 0.00 C ATOM 1534 O GLN A 98 -6.693 3.125 5.224 1.00 0.00 O ATOM 1535 CB GLN A 98 -3.889 2.528 3.191 1.00 0.00 C ATOM 1536 CG GLN A 98 -4.966 2.407 2.088 1.00 0.00 C ATOM 1537 CD GLN A 98 -5.956 1.274 2.276 1.00 0.00 C ATOM 1538 OE1 GLN A 98 -7.107 1.388 1.922 1.00 0.00 O ATOM 1539 NE2 GLN A 98 -5.518 0.182 2.781 1.00 0.00 N ATOM 0 H GLN A 98 -5.801 1.281 5.170 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.631 3.233 5.212 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.232 3.361 2.941 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.279 1.625 3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -5.518 3.346 2.036 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.467 2.277 1.128 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.543 0.110 3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.144 -0.616 2.892 1.00 0.00 H new ATOM 1548 N SER A 99 -5.714 4.684 3.974 1.00 0.00 N ATOM 1549 CA SER A 99 -6.933 5.391 3.725 1.00 0.00 C ATOM 1550 C SER A 99 -6.864 6.044 2.341 1.00 0.00 C ATOM 1551 O SER A 99 -5.815 6.560 1.959 1.00 0.00 O ATOM 1552 CB SER A 99 -7.204 6.423 4.821 1.00 0.00 C ATOM 1553 OG SER A 99 -7.323 5.783 6.095 1.00 0.00 O ATOM 0 H SER A 99 -4.878 5.139 3.609 1.00 0.00 H new ATOM 0 HA SER A 99 -7.766 4.688 3.740 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.395 7.153 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.120 6.970 4.595 1.00 0.00 H new ATOM 0 HG SER A 99 -7.280 4.811 5.978 1.00 0.00 H new ATOM 1559 N PHE A 100 -7.939 5.960 1.570 1.00 0.00 N ATOM 1560 CA PHE A 100 -7.963 6.582 0.247 1.00 0.00 C ATOM 1561 C PHE A 100 -8.720 7.907 0.230 1.00 0.00 C ATOM 1562 O PHE A 100 -8.107 8.970 0.204 1.00 0.00 O ATOM 1563 CB PHE A 100 -8.500 5.637 -0.844 1.00 0.00 C ATOM 1564 CG PHE A 100 -7.572 4.507 -1.194 1.00 0.00 C ATOM 1565 CD1 PHE A 100 -6.459 4.737 -1.988 1.00 0.00 C ATOM 1566 CD2 PHE A 100 -7.811 3.221 -0.747 1.00 0.00 C ATOM 1567 CE1 PHE A 100 -5.603 3.707 -2.326 1.00 0.00 C ATOM 1568 CE2 PHE A 100 -6.958 2.186 -1.082 1.00 0.00 C ATOM 1569 CZ PHE A 100 -5.853 2.430 -1.871 1.00 0.00 C ATOM 0 H PHE A 100 -8.798 5.474 1.830 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.920 6.797 0.014 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -9.451 5.221 -0.512 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -8.703 6.218 -1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -6.258 5.736 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.674 3.023 -0.129 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.740 3.902 -2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -7.157 1.186 -0.726 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.185 1.622 -2.132 1.00 0.00 H new ATOM 1579 N PHE A 101 -10.031 7.850 0.261 1.00 0.00 N ATOM 1580 CA PHE A 101 -10.834 9.054 0.182 1.00 0.00 C ATOM 1581 C PHE A 101 -12.056 8.868 1.080 1.00 0.00 C ATOM 1582 O PHE A 101 -12.265 7.762 1.599 1.00 0.00 O ATOM 1583 CB PHE A 101 -11.241 9.301 -1.291 1.00 0.00 C ATOM 1584 CG PHE A 101 -11.730 10.694 -1.587 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -10.830 11.739 -1.682 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -13.072 10.958 -1.780 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -11.256 13.018 -1.960 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -13.505 12.240 -2.055 1.00 0.00 C ATOM 1589 CZ PHE A 101 -12.595 13.270 -2.146 1.00 0.00 C ATOM 0 H PHE A 101 -10.566 6.985 0.340 1.00 0.00 H new ATOM 0 HA PHE A 101 -10.275 9.926 0.522 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.384 9.089 -1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -12.023 8.592 -1.561 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.777 11.549 -1.536 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.790 10.154 -1.715 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -10.539 13.823 -2.032 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.557 12.435 -2.199 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.932 14.273 -2.363 1.00 0.00 H new ATOM 1599 N GLN A 102 -12.837 9.911 1.287 1.00 0.00 N ATOM 1600 CA GLN A 102 -13.984 9.850 2.106 1.00 0.00 C ATOM 1601 C GLN A 102 -15.200 10.377 1.317 1.00 0.00 C ATOM 1602 O GLN A 102 -15.172 11.493 0.799 1.00 0.00 O ATOM 1603 CB GLN A 102 -13.723 10.695 3.323 1.00 0.00 C ATOM 1604 CG GLN A 102 -14.757 10.575 4.344 1.00 0.00 C ATOM 1605 CD GLN A 102 -14.539 11.533 5.472 1.00 0.00 C ATOM 1606 OE1 GLN A 102 -15.054 12.647 5.472 1.00 0.00 O ATOM 1607 NE2 GLN A 102 -13.729 11.156 6.398 1.00 0.00 N ATOM 0 H GLN A 102 -12.671 10.829 0.874 1.00 0.00 H new ATOM 0 HA GLN A 102 -14.198 8.826 2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -12.763 10.412 3.754 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -13.641 11.739 3.021 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -15.733 10.758 3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -14.770 9.556 4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.318 10.223 6.368 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -13.497 11.790 7.162 1.00 0.00 H new ATOM 1616 N ILE A 103 -16.234 9.566 1.209 1.00 0.00 N ATOM 1617 CA ILE A 103 -17.437 9.901 0.440 1.00 0.00 C ATOM 1618 C ILE A 103 -18.682 9.800 1.340 1.00 0.00 C ATOM 1619 O ILE A 103 -18.650 9.148 2.397 1.00 0.00 O ATOM 1620 CB ILE A 103 -17.617 8.930 -0.781 1.00 0.00 C ATOM 1621 CG1 ILE A 103 -17.957 7.517 -0.284 1.00 0.00 C ATOM 1622 CG2 ILE A 103 -16.339 8.901 -1.615 1.00 0.00 C ATOM 1623 CD1 ILE A 103 -18.235 6.530 -1.382 1.00 0.00 C ATOM 0 H ILE A 103 -16.272 8.648 1.652 1.00 0.00 H new ATOM 0 HA ILE A 103 -17.322 10.920 0.070 1.00 0.00 H new ATOM 0 HB ILE A 103 -18.437 9.290 -1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -17.129 7.147 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.828 7.573 0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -16.471 8.225 -2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -16.122 9.904 -1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -15.510 8.553 -0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -18.466 5.558 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -19.083 6.874 -1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -17.357 6.442 -2.022 1.00 0.00 H new ATOM 1635 N ASP A 104 -19.768 10.421 0.932 1.00 0.00 N ATOM 1636 CA ASP A 104 -21.001 10.361 1.693 1.00 0.00 C ATOM 1637 C ASP A 104 -21.693 9.031 1.560 1.00 0.00 C ATOM 1638 O ASP A 104 -22.306 8.722 0.521 1.00 0.00 O ATOM 1639 CB ASP A 104 -21.978 11.489 1.325 1.00 0.00 C ATOM 1640 CG ASP A 104 -21.816 12.727 2.175 1.00 0.00 C ATOM 1641 OD1 ASP A 104 -21.106 12.679 3.201 1.00 0.00 O ATOM 1642 OD2 ASP A 104 -22.439 13.759 1.866 1.00 0.00 O ATOM 0 H ASP A 104 -19.824 10.974 0.077 1.00 0.00 H new ATOM 0 HA ASP A 104 -20.702 10.493 2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -21.835 11.756 0.278 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -22.999 11.121 1.424 1.00 0.00 H new ATOM 1647 N LEU A 105 -21.651 8.237 2.611 1.00 0.00 N ATOM 1648 CA LEU A 105 -22.356 6.975 2.594 1.00 0.00 C ATOM 1649 C LEU A 105 -23.822 7.219 2.492 1.00 0.00 C ATOM 1650 O LEU A 105 -24.552 6.448 1.890 1.00 0.00 O ATOM 1651 CB LEU A 105 -22.118 6.121 3.814 1.00 0.00 C ATOM 1652 CG LEU A 105 -20.786 5.444 3.994 1.00 0.00 C ATOM 1653 CD1 LEU A 105 -21.021 4.223 4.856 1.00 0.00 C ATOM 1654 CD2 LEU A 105 -20.155 5.064 2.659 1.00 0.00 C ATOM 0 H LEU A 105 -21.145 8.440 3.473 1.00 0.00 H new ATOM 0 HA LEU A 105 -21.967 6.435 1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.287 6.747 4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -22.883 5.345 3.824 1.00 0.00 H new ATOM 0 HG LEU A 105 -20.082 6.125 4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -20.077 3.701 5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -21.429 4.530 5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -21.726 3.557 4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -19.195 4.578 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -20.815 4.380 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -20.003 5.962 2.060 1.00 0.00 H new ATOM 1666 N GLU A 106 -24.230 8.297 3.066 1.00 0.00 N ATOM 1667 CA GLU A 106 -25.593 8.718 3.060 1.00 0.00 C ATOM 1668 C GLU A 106 -26.059 9.102 1.636 1.00 0.00 C ATOM 1669 O GLU A 106 -27.253 9.188 1.379 1.00 0.00 O ATOM 1670 CB GLU A 106 -25.754 9.880 4.027 1.00 0.00 C ATOM 1671 CG GLU A 106 -24.751 10.994 3.778 1.00 0.00 C ATOM 1672 CD GLU A 106 -24.870 12.122 4.746 1.00 0.00 C ATOM 1673 OE1 GLU A 106 -25.660 13.026 4.507 1.00 0.00 O ATOM 1674 OE2 GLU A 106 -24.140 12.132 5.756 1.00 0.00 O ATOM 0 H GLU A 106 -23.608 8.931 3.568 1.00 0.00 H new ATOM 0 HA GLU A 106 -26.225 7.891 3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -26.764 10.281 3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -25.640 9.516 5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -23.742 10.584 3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -24.887 11.377 2.766 1.00 0.00 H new ATOM 1681 N ARG A 107 -25.112 9.336 0.721 1.00 0.00 N ATOM 1682 CA ARG A 107 -25.463 9.657 -0.639 1.00 0.00 C ATOM 1683 C ARG A 107 -25.493 8.372 -1.469 1.00 0.00 C ATOM 1684 O ARG A 107 -26.039 8.339 -2.569 1.00 0.00 O ATOM 1685 CB ARG A 107 -24.528 10.728 -1.225 1.00 0.00 C ATOM 1686 CG ARG A 107 -23.278 10.219 -1.880 1.00 0.00 C ATOM 1687 CD ARG A 107 -22.396 11.352 -2.381 1.00 0.00 C ATOM 1688 NE ARG A 107 -23.030 12.173 -3.397 1.00 0.00 N ATOM 1689 CZ ARG A 107 -22.365 12.971 -4.257 1.00 0.00 C ATOM 1690 NH1 ARG A 107 -21.061 13.137 -4.129 1.00 0.00 N ATOM 1691 NH2 ARG A 107 -23.015 13.619 -5.206 1.00 0.00 N ATOM 0 H ARG A 107 -24.110 9.306 0.909 1.00 0.00 H new ATOM 0 HA ARG A 107 -26.460 10.096 -0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -25.088 11.310 -1.957 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -24.243 11.411 -0.425 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -22.718 9.611 -1.170 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -23.544 9.570 -2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -22.115 11.983 -1.538 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -21.475 10.933 -2.786 1.00 0.00 H new ATOM 0 HE ARG A 107 -24.047 12.144 -3.465 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -20.557 12.662 -3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -20.557 13.740 -4.779 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -24.026 13.518 -5.292 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -22.506 14.221 -5.853 1.00 0.00 H new ATOM 1705 N LEU A 108 -24.863 7.310 -0.935 1.00 0.00 N ATOM 1706 CA LEU A 108 -24.985 5.965 -1.531 1.00 0.00 C ATOM 1707 C LEU A 108 -26.423 5.450 -1.484 1.00 0.00 C ATOM 1708 O LEU A 108 -27.259 5.960 -0.725 1.00 0.00 O ATOM 1709 CB LEU A 108 -24.068 4.925 -0.876 1.00 0.00 C ATOM 1710 CG LEU A 108 -22.643 4.889 -1.354 1.00 0.00 C ATOM 1711 CD1 LEU A 108 -21.716 5.786 -0.608 1.00 0.00 C ATOM 1712 CD2 LEU A 108 -22.099 3.492 -1.536 1.00 0.00 C ATOM 0 H LEU A 108 -24.273 7.354 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 108 -24.672 6.090 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -24.062 5.104 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -24.505 3.939 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 108 -22.692 5.318 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -20.711 5.695 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -22.054 6.818 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -21.703 5.502 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -21.067 3.546 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -22.136 2.961 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -22.701 2.960 -2.272 1.00 0.00 H new ATOM 1724 N GLU A 109 -26.685 4.382 -2.235 1.00 0.00 N ATOM 1725 CA GLU A 109 -28.036 3.818 -2.361 1.00 0.00 C ATOM 1726 C GLU A 109 -28.380 2.783 -1.277 1.00 0.00 C ATOM 1727 O GLU A 109 -29.306 1.981 -1.434 1.00 0.00 O ATOM 1728 CB GLU A 109 -28.240 3.279 -3.766 1.00 0.00 C ATOM 1729 CG GLU A 109 -27.178 2.338 -4.261 1.00 0.00 C ATOM 1730 CD GLU A 109 -27.263 0.940 -3.689 1.00 0.00 C ATOM 1731 OE1 GLU A 109 -26.694 0.694 -2.626 1.00 0.00 O ATOM 1732 OE2 GLU A 109 -27.897 0.062 -4.312 1.00 0.00 O ATOM 0 H GLU A 109 -25.975 3.883 -2.772 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.743 4.630 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -29.201 2.766 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -28.302 4.122 -4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -27.242 2.277 -5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -26.200 2.756 -4.022 1.00 0.00 H new ATOM 1739 N SER A 110 -27.633 2.848 -0.198 1.00 0.00 N ATOM 1740 CA SER A 110 -27.757 1.999 0.988 1.00 0.00 C ATOM 1741 C SER A 110 -26.952 0.705 0.878 1.00 0.00 C ATOM 1742 O SER A 110 -25.839 0.658 1.375 1.00 0.00 O ATOM 1743 CB SER A 110 -29.229 1.765 1.466 1.00 0.00 C ATOM 1744 OG SER A 110 -29.292 0.958 2.646 1.00 0.00 O ATOM 0 H SER A 110 -26.878 3.529 -0.110 1.00 0.00 H new ATOM 0 HA SER A 110 -27.300 2.578 1.790 1.00 0.00 H new ATOM 0 HB2 SER A 110 -29.704 2.727 1.660 1.00 0.00 H new ATOM 0 HB3 SER A 110 -29.796 1.285 0.669 1.00 0.00 H new ATOM 0 HG SER A 110 -30.228 0.838 2.911 1.00 0.00 H new ATOM 1750 N HIS A 111 -27.451 -0.299 0.159 1.00 0.00 N ATOM 1751 CA HIS A 111 -26.822 -1.645 0.155 1.00 0.00 C ATOM 1752 C HIS A 111 -25.355 -1.648 -0.251 1.00 0.00 C ATOM 1753 O HIS A 111 -24.564 -2.405 0.302 1.00 0.00 O ATOM 1754 CB HIS A 111 -27.635 -2.670 -0.630 1.00 0.00 C ATOM 1755 CG HIS A 111 -28.949 -2.998 0.004 1.00 0.00 C ATOM 1756 ND1 HIS A 111 -30.166 -2.639 -0.519 1.00 0.00 N ATOM 1757 CD2 HIS A 111 -29.216 -3.673 1.143 1.00 0.00 C ATOM 1758 CE1 HIS A 111 -31.118 -3.089 0.297 1.00 0.00 C ATOM 1759 NE2 HIS A 111 -30.591 -3.730 1.333 1.00 0.00 N ATOM 0 H HIS A 111 -28.282 -0.221 -0.428 1.00 0.00 H new ATOM 0 HA HIS A 111 -26.832 -1.956 1.199 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -27.811 -2.290 -1.636 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -27.051 -3.585 -0.732 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -28.476 -4.101 1.803 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -32.177 -2.951 0.137 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -31.090 -4.171 2.105 1.00 0.00 H new ATOM 1767 N MET A 112 -24.998 -0.783 -1.171 1.00 0.00 N ATOM 1768 CA MET A 112 -23.611 -0.597 -1.588 1.00 0.00 C ATOM 1769 C MET A 112 -22.705 -0.269 -0.401 1.00 0.00 C ATOM 1770 O MET A 112 -21.688 -0.913 -0.179 1.00 0.00 O ATOM 1771 CB MET A 112 -23.539 0.530 -2.602 1.00 0.00 C ATOM 1772 CG MET A 112 -23.783 0.123 -4.038 1.00 0.00 C ATOM 1773 SD MET A 112 -22.358 -0.700 -4.760 1.00 0.00 S ATOM 1774 CE MET A 112 -21.152 0.615 -4.579 1.00 0.00 C ATOM 0 H MET A 112 -25.660 -0.180 -1.660 1.00 0.00 H new ATOM 0 HA MET A 112 -23.263 -1.530 -2.031 1.00 0.00 H new ATOM 0 HB2 MET A 112 -24.270 1.291 -2.328 1.00 0.00 H new ATOM 0 HB3 MET A 112 -22.555 0.995 -2.535 1.00 0.00 H new ATOM 0 HG2 MET A 112 -24.646 -0.541 -4.084 1.00 0.00 H new ATOM 0 HG3 MET A 112 -24.028 1.006 -4.628 1.00 0.00 H new ATOM 0 HE1 MET A 112 -20.387 0.516 -5.350 1.00 0.00 H new ATOM 0 HE2 MET A 112 -21.648 1.580 -4.682 1.00 0.00 H new ATOM 0 HE3 MET A 112 -20.687 0.549 -3.596 1.00 0.00 H new ATOM 1784 N GLN A 113 -23.111 0.694 0.391 1.00 0.00 N ATOM 1785 CA GLN A 113 -22.310 1.127 1.517 1.00 0.00 C ATOM 1786 C GLN A 113 -22.467 0.201 2.677 1.00 0.00 C ATOM 1787 O GLN A 113 -21.560 0.054 3.471 1.00 0.00 O ATOM 1788 CB GLN A 113 -22.557 2.584 1.880 1.00 0.00 C ATOM 1789 CG GLN A 113 -23.999 2.943 1.953 1.00 0.00 C ATOM 1790 CD GLN A 113 -24.564 3.135 3.325 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -24.974 2.195 3.983 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -24.731 4.363 3.681 1.00 0.00 N ATOM 0 H GLN A 113 -23.992 1.195 0.279 1.00 0.00 H new ATOM 0 HA GLN A 113 -21.264 1.079 1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -22.090 2.794 2.842 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -22.069 3.221 1.142 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -24.152 3.862 1.388 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -24.572 2.162 1.453 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -24.370 5.117 3.097 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -25.225 4.580 4.547 1.00 0.00 H new ATOM 1801 N LYS A 114 -23.620 -0.423 2.770 1.00 0.00 N ATOM 1802 CA LYS A 114 -23.828 -1.492 3.747 1.00 0.00 C ATOM 1803 C LYS A 114 -22.803 -2.618 3.503 1.00 0.00 C ATOM 1804 O LYS A 114 -22.310 -3.229 4.447 1.00 0.00 O ATOM 1805 CB LYS A 114 -25.239 -2.060 3.646 1.00 0.00 C ATOM 1806 CG LYS A 114 -26.343 -1.034 3.826 1.00 0.00 C ATOM 1807 CD LYS A 114 -26.467 -0.501 5.244 1.00 0.00 C ATOM 1808 CE LYS A 114 -26.945 -1.562 6.216 1.00 0.00 C ATOM 1809 NZ LYS A 114 -27.145 -1.008 7.571 1.00 0.00 N ATOM 0 H LYS A 114 -24.431 -0.217 2.187 1.00 0.00 H new ATOM 0 HA LYS A 114 -23.695 -1.076 4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -25.357 -2.536 2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -25.358 -2.840 4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -26.162 -0.199 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -27.292 -1.482 3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -25.500 -0.119 5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -27.162 0.339 5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -27.880 -1.991 5.856 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -26.217 -2.373 6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -27.472 -1.761 8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -26.247 -0.621 7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -27.858 -0.251 7.535 1.00 0.00 H new ATOM 1823 N ASN A 115 -22.466 -2.857 2.225 1.00 0.00 N ATOM 1824 CA ASN A 115 -21.449 -3.857 1.857 1.00 0.00 C ATOM 1825 C ASN A 115 -20.110 -3.393 2.314 1.00 0.00 C ATOM 1826 O ASN A 115 -19.301 -4.168 2.771 1.00 0.00 O ATOM 1827 CB ASN A 115 -21.372 -4.101 0.346 1.00 0.00 C ATOM 1828 CG ASN A 115 -22.561 -4.807 -0.226 1.00 0.00 C ATOM 1829 OD1 ASN A 115 -23.226 -5.588 0.458 1.00 0.00 O ATOM 1830 ND2 ASN A 115 -22.819 -4.580 -1.474 1.00 0.00 N ATOM 0 H ASN A 115 -22.882 -2.372 1.430 1.00 0.00 H new ATOM 0 HA ASN A 115 -21.740 -4.790 2.339 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -21.256 -3.142 -0.159 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -20.478 -4.686 0.129 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -23.599 -5.056 -1.928 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -22.243 -3.925 -2.003 1.00 0.00 H new ATOM 1837 N LEU A 116 -19.894 -2.113 2.197 1.00 0.00 N ATOM 1838 CA LEU A 116 -18.656 -1.481 2.617 1.00 0.00 C ATOM 1839 C LEU A 116 -18.513 -1.517 4.155 1.00 0.00 C ATOM 1840 O LEU A 116 -17.413 -1.424 4.686 1.00 0.00 O ATOM 1841 CB LEU A 116 -18.637 -0.044 2.116 1.00 0.00 C ATOM 1842 CG LEU A 116 -18.813 0.151 0.608 1.00 0.00 C ATOM 1843 CD1 LEU A 116 -18.938 1.621 0.273 1.00 0.00 C ATOM 1844 CD2 LEU A 116 -17.652 -0.463 -0.152 1.00 0.00 C ATOM 0 H LEU A 116 -20.575 -1.464 1.804 1.00 0.00 H new ATOM 0 HA LEU A 116 -17.814 -2.028 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -19.427 0.507 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -17.691 0.409 2.411 1.00 0.00 H new ATOM 0 HG LEU A 116 -19.730 -0.355 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -19.062 1.740 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -19.804 2.039 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -18.038 2.145 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -17.797 -0.313 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.722 0.013 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -17.602 -1.531 0.061 1.00 0.00 H new ATOM 1856 N LEU A 117 -19.639 -1.622 4.853 1.00 0.00 N ATOM 1857 CA LEU A 117 -19.645 -1.752 6.307 1.00 0.00 C ATOM 1858 C LEU A 117 -19.251 -3.172 6.694 1.00 0.00 C ATOM 1859 O LEU A 117 -18.545 -3.388 7.666 1.00 0.00 O ATOM 1860 CB LEU A 117 -21.046 -1.471 6.884 1.00 0.00 C ATOM 1861 CG LEU A 117 -21.721 -0.159 6.489 1.00 0.00 C ATOM 1862 CD1 LEU A 117 -23.046 0.004 7.201 1.00 0.00 C ATOM 1863 CD2 LEU A 117 -20.830 1.021 6.756 1.00 0.00 C ATOM 0 H LEU A 117 -20.568 -1.620 4.431 1.00 0.00 H new ATOM 0 HA LEU A 117 -18.937 -1.028 6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -21.702 -2.289 6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -20.974 -1.498 7.971 1.00 0.00 H new ATOM 0 HG LEU A 117 -21.909 -0.199 5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -23.506 0.946 6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -23.706 -0.822 6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -22.882 0.006 8.279 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -21.342 1.937 6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -20.590 1.063 7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -19.910 0.920 6.180 1.00 0.00 H new ATOM 1875 N LYS A 118 -19.756 -4.130 5.930 1.00 0.00 N ATOM 1876 CA LYS A 118 -19.504 -5.548 6.157 1.00 0.00 C ATOM 1877 C LYS A 118 -18.132 -5.936 5.690 1.00 0.00 C ATOM 1878 O LYS A 118 -17.431 -6.694 6.350 1.00 0.00 O ATOM 1879 CB LYS A 118 -20.527 -6.351 5.386 1.00 0.00 C ATOM 1880 CG LYS A 118 -21.931 -6.121 5.856 1.00 0.00 C ATOM 1881 CD LYS A 118 -22.923 -6.492 4.777 1.00 0.00 C ATOM 1882 CE LYS A 118 -24.354 -6.337 5.249 1.00 0.00 C ATOM 1883 NZ LYS A 118 -24.679 -7.280 6.333 1.00 0.00 N ATOM 0 H LYS A 118 -20.358 -3.944 5.128 1.00 0.00 H new ATOM 0 HA LYS A 118 -19.575 -5.748 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -20.458 -6.096 4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -20.290 -7.411 5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -22.122 -6.713 6.751 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -22.061 -5.075 6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -22.759 -5.864 3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -22.753 -7.523 4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -24.514 -5.316 5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -25.032 -6.499 4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -25.710 -7.313 6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -24.331 -8.228 6.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -24.226 -6.965 7.214 1.00 0.00 H new ATOM 1897 N GLY A 119 -17.767 -5.421 4.558 1.00 0.00 N ATOM 1898 CA GLY A 119 -16.526 -5.735 3.962 1.00 0.00 C ATOM 1899 C GLY A 119 -16.770 -6.510 2.712 1.00 0.00 C ATOM 1900 O GLY A 119 -17.423 -7.567 2.753 1.00 0.00 O ATOM 0 H GLY A 119 -18.335 -4.764 4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -15.975 -4.822 3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -15.913 -6.316 4.652 1.00 0.00 H new ATOM 1904 N ILE A 120 -16.321 -5.970 1.604 1.00 0.00 N ATOM 1905 CA ILE A 120 -16.489 -6.605 0.298 1.00 0.00 C ATOM 1906 C ILE A 120 -15.888 -8.016 0.318 1.00 0.00 C ATOM 1907 O ILE A 120 -14.767 -8.193 0.727 1.00 0.00 O ATOM 1908 CB ILE A 120 -15.842 -5.752 -0.837 1.00 0.00 C ATOM 1909 CG1 ILE A 120 -16.387 -4.313 -0.794 1.00 0.00 C ATOM 1910 CG2 ILE A 120 -16.093 -6.369 -2.214 1.00 0.00 C ATOM 1911 CD1 ILE A 120 -17.897 -4.226 -0.810 1.00 0.00 C ATOM 0 H ILE A 120 -15.827 -5.078 1.572 1.00 0.00 H new ATOM 0 HA ILE A 120 -17.557 -6.676 0.091 1.00 0.00 H new ATOM 0 HB ILE A 120 -14.765 -5.734 -0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -16.015 -3.821 0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -15.992 -3.760 -1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -15.628 -5.749 -2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -15.664 -7.370 -2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -17.166 -6.428 -2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -18.202 -3.180 -0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -18.278 -4.687 -1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -18.301 -4.748 0.057 1.00 0.00 H new ATOM 1923 N PRO A 121 -16.647 -9.033 -0.094 1.00 0.00 N ATOM 1924 CA PRO A 121 -16.203 -10.431 -0.024 1.00 0.00 C ATOM 1925 C PRO A 121 -15.185 -10.855 -1.104 1.00 0.00 C ATOM 1926 O PRO A 121 -14.923 -12.046 -1.258 1.00 0.00 O ATOM 1927 CB PRO A 121 -17.501 -11.216 -0.190 1.00 0.00 C ATOM 1928 CG PRO A 121 -18.401 -10.322 -0.976 1.00 0.00 C ATOM 1929 CD PRO A 121 -18.026 -8.914 -0.621 1.00 0.00 C ATOM 0 HA PRO A 121 -15.666 -10.608 0.908 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -17.328 -12.157 -0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -17.938 -11.463 0.777 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -18.282 -10.496 -2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -19.446 -10.517 -0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -18.066 -8.259 -1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -18.703 -8.496 0.124 1.00 0.00 H new ATOM 1937 N PHE A 122 -14.610 -9.912 -1.821 1.00 0.00 N ATOM 1938 CA PHE A 122 -13.655 -10.238 -2.870 1.00 0.00 C ATOM 1939 C PHE A 122 -12.818 -9.030 -3.230 1.00 0.00 C ATOM 1940 O PHE A 122 -13.309 -7.899 -3.197 1.00 0.00 O ATOM 1941 CB PHE A 122 -14.371 -10.785 -4.144 1.00 0.00 C ATOM 1942 CG PHE A 122 -15.356 -9.828 -4.795 1.00 0.00 C ATOM 1943 CD1 PHE A 122 -16.670 -9.771 -4.372 1.00 0.00 C ATOM 1944 CD2 PHE A 122 -14.960 -8.991 -5.830 1.00 0.00 C ATOM 1945 CE1 PHE A 122 -17.571 -8.904 -4.956 1.00 0.00 C ATOM 1946 CE2 PHE A 122 -15.857 -8.121 -6.420 1.00 0.00 C ATOM 1947 CZ PHE A 122 -17.163 -8.077 -5.982 1.00 0.00 C ATOM 0 H PHE A 122 -14.784 -8.914 -1.700 1.00 0.00 H new ATOM 0 HA PHE A 122 -13.002 -11.019 -2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -13.613 -11.056 -4.879 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -14.900 -11.701 -3.879 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -16.998 -10.416 -3.570 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -13.938 -9.020 -6.178 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -18.594 -8.873 -4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -15.535 -7.476 -7.224 1.00 0.00 H new ATOM 0 HZ PHE A 122 -17.865 -7.397 -6.441 1.00 0.00 H new ATOM 1957 N ARG A 123 -11.559 -9.253 -3.527 1.00 0.00 N ATOM 1958 CA ARG A 123 -10.725 -8.208 -4.035 1.00 0.00 C ATOM 1959 C ARG A 123 -9.677 -8.793 -4.948 1.00 0.00 C ATOM 1960 O ARG A 123 -8.964 -9.731 -4.586 1.00 0.00 O ATOM 1961 CB ARG A 123 -10.074 -7.377 -2.904 1.00 0.00 C ATOM 1962 CG ARG A 123 -9.328 -6.150 -3.402 1.00 0.00 C ATOM 1963 CD ARG A 123 -9.036 -5.147 -2.288 1.00 0.00 C ATOM 1964 NE ARG A 123 -7.974 -5.519 -1.341 1.00 0.00 N ATOM 1965 CZ ARG A 123 -8.085 -5.418 -0.006 1.00 0.00 C ATOM 1966 NH1 ARG A 123 -9.288 -5.471 0.572 1.00 0.00 N ATOM 1967 NH2 ARG A 123 -6.989 -5.311 0.738 1.00 0.00 N ATOM 0 H ARG A 123 -11.095 -10.156 -3.422 1.00 0.00 H new ATOM 0 HA ARG A 123 -11.354 -7.522 -4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -10.848 -7.062 -2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -9.383 -8.012 -2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -8.389 -6.461 -3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -9.916 -5.663 -4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -8.768 -4.195 -2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -9.955 -4.983 -1.725 1.00 0.00 H new ATOM 0 HE ARG A 123 -7.098 -5.876 -1.722 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -10.124 -5.588 -0.000 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -9.371 -5.394 1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -6.070 -5.306 0.295 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -7.067 -5.234 1.752 1.00 0.00 H new ATOM 1981 N THR A 124 -9.592 -8.223 -6.107 1.00 0.00 N ATOM 1982 CA THR A 124 -8.640 -8.577 -7.110 1.00 0.00 C ATOM 1983 C THR A 124 -8.246 -7.227 -7.723 1.00 0.00 C ATOM 1984 O THR A 124 -8.916 -6.228 -7.412 1.00 0.00 O ATOM 1985 CB THR A 124 -9.289 -9.517 -8.168 1.00 0.00 C ATOM 1986 OG1 THR A 124 -10.104 -10.499 -7.508 1.00 0.00 O ATOM 1987 CG2 THR A 124 -8.229 -10.263 -8.954 1.00 0.00 C ATOM 0 H THR A 124 -10.212 -7.465 -6.393 1.00 0.00 H new ATOM 0 HA THR A 124 -7.781 -9.122 -6.719 1.00 0.00 H new ATOM 0 HB THR A 124 -9.883 -8.898 -8.840 1.00 0.00 H new ATOM 0 HG1 THR A 124 -11.014 -10.151 -7.401 1.00 0.00 H new ATOM 0 HG21 THR A 124 -8.709 -10.913 -9.686 1.00 0.00 H new ATOM 0 HG22 THR A 124 -7.587 -9.548 -9.469 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.628 -10.866 -8.273 1.00 0.00 H new ATOM 1995 N LYS A 125 -7.231 -7.170 -8.564 1.00 0.00 N ATOM 1996 CA LYS A 125 -6.694 -5.899 -9.050 1.00 0.00 C ATOM 1997 C LYS A 125 -7.741 -5.033 -9.763 1.00 0.00 C ATOM 1998 O LYS A 125 -7.914 -3.863 -9.427 1.00 0.00 O ATOM 1999 CB LYS A 125 -5.455 -6.125 -9.940 1.00 0.00 C ATOM 2000 CG LYS A 125 -5.722 -6.929 -11.216 1.00 0.00 C ATOM 2001 CD LYS A 125 -4.487 -7.085 -12.088 1.00 0.00 C ATOM 2002 CE LYS A 125 -3.961 -5.748 -12.597 1.00 0.00 C ATOM 2003 NZ LYS A 125 -2.805 -5.930 -13.496 1.00 0.00 N ATOM 0 H LYS A 125 -6.754 -7.993 -8.931 1.00 0.00 H new ATOM 0 HA LYS A 125 -6.388 -5.338 -8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -5.042 -5.155 -10.218 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -4.693 -6.640 -9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -6.096 -7.916 -10.945 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -6.507 -6.438 -11.791 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.705 -7.587 -11.518 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -4.724 -7.726 -12.937 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -4.755 -5.221 -13.126 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -3.671 -5.124 -11.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.471 -5.001 -13.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.039 -6.412 -12.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.089 -6.505 -14.315 1.00 0.00 H new ATOM 2017 N ALA A 126 -8.494 -5.635 -10.656 1.00 0.00 N ATOM 2018 CA ALA A 126 -9.413 -4.906 -11.477 1.00 0.00 C ATOM 2019 C ALA A 126 -10.676 -4.661 -10.733 1.00 0.00 C ATOM 2020 O ALA A 126 -11.326 -3.639 -10.913 1.00 0.00 O ATOM 2021 CB ALA A 126 -9.684 -5.680 -12.741 1.00 0.00 C ATOM 0 H ALA A 126 -8.481 -6.640 -10.827 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.977 -3.942 -11.741 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.384 -5.124 -13.365 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -8.751 -5.827 -13.285 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.114 -6.649 -12.489 1.00 0.00 H new ATOM 2027 N GLU A 127 -10.995 -5.581 -9.853 1.00 0.00 N ATOM 2028 CA GLU A 127 -12.218 -5.507 -9.104 1.00 0.00 C ATOM 2029 C GLU A 127 -12.126 -4.430 -8.043 1.00 0.00 C ATOM 2030 O GLU A 127 -13.109 -3.760 -7.750 1.00 0.00 O ATOM 2031 CB GLU A 127 -12.550 -6.852 -8.497 1.00 0.00 C ATOM 2032 CG GLU A 127 -12.452 -7.978 -9.502 1.00 0.00 C ATOM 2033 CD GLU A 127 -13.120 -9.233 -9.022 1.00 0.00 C ATOM 2034 OE1 GLU A 127 -12.534 -9.950 -8.206 1.00 0.00 O ATOM 2035 OE2 GLU A 127 -14.262 -9.507 -9.447 1.00 0.00 O ATOM 0 H GLU A 127 -10.417 -6.394 -9.640 1.00 0.00 H new ATOM 0 HA GLU A 127 -13.028 -5.238 -9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.872 -7.050 -7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -13.559 -6.823 -8.085 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -12.907 -7.664 -10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -11.402 -8.185 -9.710 1.00 0.00 H new ATOM 2042 N PHE A 128 -10.926 -4.248 -7.503 1.00 0.00 N ATOM 2043 CA PHE A 128 -10.657 -3.214 -6.528 1.00 0.00 C ATOM 2044 C PHE A 128 -10.869 -1.860 -7.147 1.00 0.00 C ATOM 2045 O PHE A 128 -11.624 -1.051 -6.645 1.00 0.00 O ATOM 2046 CB PHE A 128 -9.212 -3.320 -6.009 1.00 0.00 C ATOM 2047 CG PHE A 128 -8.747 -2.099 -5.263 1.00 0.00 C ATOM 2048 CD1 PHE A 128 -9.035 -1.929 -3.928 1.00 0.00 C ATOM 2049 CD2 PHE A 128 -8.031 -1.113 -5.926 1.00 0.00 C ATOM 2050 CE1 PHE A 128 -8.620 -0.800 -3.256 1.00 0.00 C ATOM 2051 CE2 PHE A 128 -7.617 0.018 -5.266 1.00 0.00 C ATOM 2052 CZ PHE A 128 -7.910 0.175 -3.926 1.00 0.00 C ATOM 0 H PHE A 128 -10.113 -4.819 -7.735 1.00 0.00 H new ATOM 0 HA PHE A 128 -11.342 -3.345 -5.690 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -9.133 -4.187 -5.354 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.544 -3.496 -6.852 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -9.593 -2.689 -3.401 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -7.796 -1.236 -6.973 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -8.850 -0.679 -2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -7.064 0.782 -5.793 1.00 0.00 H new ATOM 0 HZ PHE A 128 -7.583 1.061 -3.402 1.00 0.00 H new ATOM 2062 N GLU A 129 -10.221 -1.626 -8.249 1.00 0.00 N ATOM 2063 CA GLU A 129 -10.317 -0.357 -8.885 1.00 0.00 C ATOM 2064 C GLU A 129 -11.699 -0.138 -9.487 1.00 0.00 C ATOM 2065 O GLU A 129 -12.104 0.992 -9.711 1.00 0.00 O ATOM 2066 CB GLU A 129 -9.173 -0.132 -9.861 1.00 0.00 C ATOM 2067 CG GLU A 129 -9.024 -1.189 -10.916 1.00 0.00 C ATOM 2068 CD GLU A 129 -7.845 -0.927 -11.798 1.00 0.00 C ATOM 2069 OE1 GLU A 129 -7.781 0.166 -12.418 1.00 0.00 O ATOM 2070 OE2 GLU A 129 -6.963 -1.784 -11.908 1.00 0.00 O ATOM 0 H GLU A 129 -9.621 -2.301 -8.723 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.204 0.416 -8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -9.317 0.831 -10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -8.242 -0.068 -9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -8.914 -2.164 -10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -9.930 -1.229 -11.521 1.00 0.00 H new ATOM 2077 N ASP A 130 -12.414 -1.228 -9.720 1.00 0.00 N ATOM 2078 CA ASP A 130 -13.785 -1.182 -10.226 1.00 0.00 C ATOM 2079 C ASP A 130 -14.726 -0.704 -9.125 1.00 0.00 C ATOM 2080 O ASP A 130 -15.564 0.168 -9.332 1.00 0.00 O ATOM 2081 CB ASP A 130 -14.225 -2.563 -10.685 1.00 0.00 C ATOM 2082 CG ASP A 130 -15.560 -2.556 -11.381 1.00 0.00 C ATOM 2083 OD1 ASP A 130 -15.595 -2.403 -12.615 1.00 0.00 O ATOM 2084 OD2 ASP A 130 -16.595 -2.724 -10.714 1.00 0.00 O ATOM 0 H ASP A 130 -12.063 -2.173 -9.565 1.00 0.00 H new ATOM 0 HA ASP A 130 -13.819 -0.492 -11.069 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -13.473 -2.972 -11.359 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -14.275 -3.227 -9.822 1.00 0.00 H new ATOM 2089 N VAL A 131 -14.578 -1.269 -7.944 1.00 0.00 N ATOM 2090 CA VAL A 131 -15.396 -0.841 -6.809 1.00 0.00 C ATOM 2091 C VAL A 131 -14.954 0.563 -6.343 1.00 0.00 C ATOM 2092 O VAL A 131 -15.771 1.421 -6.009 1.00 0.00 O ATOM 2093 CB VAL A 131 -15.395 -1.891 -5.628 1.00 0.00 C ATOM 2094 CG1 VAL A 131 -14.008 -2.209 -5.139 1.00 0.00 C ATOM 2095 CG2 VAL A 131 -16.248 -1.427 -4.466 1.00 0.00 C ATOM 0 H VAL A 131 -13.913 -2.014 -7.738 1.00 0.00 H new ATOM 0 HA VAL A 131 -16.432 -0.783 -7.144 1.00 0.00 H new ATOM 0 HB VAL A 131 -15.825 -2.803 -6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -14.066 -2.935 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -13.420 -2.625 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -13.532 -1.298 -4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -16.222 -2.175 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -15.861 -0.482 -4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -17.276 -1.289 -4.801 1.00 0.00 H new ATOM 2105 N ILE A 132 -13.664 0.805 -6.406 1.00 0.00 N ATOM 2106 CA ILE A 132 -13.088 2.084 -6.035 1.00 0.00 C ATOM 2107 C ILE A 132 -13.484 3.206 -6.997 1.00 0.00 C ATOM 2108 O ILE A 132 -13.722 4.341 -6.566 1.00 0.00 O ATOM 2109 CB ILE A 132 -11.539 1.981 -5.822 1.00 0.00 C ATOM 2110 CG1 ILE A 132 -11.206 1.735 -4.329 1.00 0.00 C ATOM 2111 CG2 ILE A 132 -10.774 3.181 -6.380 1.00 0.00 C ATOM 2112 CD1 ILE A 132 -11.841 0.487 -3.721 1.00 0.00 C ATOM 0 H ILE A 132 -12.978 0.117 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 132 -13.516 2.359 -5.071 1.00 0.00 H new ATOM 0 HB ILE A 132 -11.199 1.120 -6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -10.124 1.662 -4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -11.526 2.604 -3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -9.707 3.048 -6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -10.954 3.261 -7.452 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -11.114 4.091 -5.886 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -11.548 0.403 -2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -12.926 0.561 -3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -11.502 -0.395 -4.264 1.00 0.00 H new ATOM 2124 N GLU A 133 -13.613 2.897 -8.286 1.00 0.00 N ATOM 2125 CA GLU A 133 -14.026 3.917 -9.235 1.00 0.00 C ATOM 2126 C GLU A 133 -15.466 4.317 -8.983 1.00 0.00 C ATOM 2127 O GLU A 133 -15.859 5.435 -9.258 1.00 0.00 O ATOM 2128 CB GLU A 133 -13.833 3.517 -10.693 1.00 0.00 C ATOM 2129 CG GLU A 133 -14.670 2.360 -11.150 1.00 0.00 C ATOM 2130 CD GLU A 133 -14.578 2.112 -12.627 1.00 0.00 C ATOM 2131 OE1 GLU A 133 -13.650 1.410 -13.073 1.00 0.00 O ATOM 2132 OE2 GLU A 133 -15.445 2.619 -13.381 1.00 0.00 O ATOM 0 H GLU A 133 -13.442 1.974 -8.685 1.00 0.00 H new ATOM 0 HA GLU A 133 -13.369 4.770 -9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -14.056 4.378 -11.323 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -12.783 3.271 -10.850 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -14.359 1.462 -10.617 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -15.711 2.545 -10.883 1.00 0.00 H new ATOM 2139 N HIS A 134 -16.228 3.398 -8.419 1.00 0.00 N ATOM 2140 CA HIS A 134 -17.610 3.637 -8.062 1.00 0.00 C ATOM 2141 C HIS A 134 -17.628 4.565 -6.827 1.00 0.00 C ATOM 2142 O HIS A 134 -18.447 5.447 -6.709 1.00 0.00 O ATOM 2143 CB HIS A 134 -18.281 2.287 -7.754 1.00 0.00 C ATOM 2144 CG HIS A 134 -19.786 2.289 -7.746 1.00 0.00 C ATOM 2145 ND1 HIS A 134 -20.542 1.233 -8.196 1.00 0.00 N ATOM 2146 CD2 HIS A 134 -20.671 3.221 -7.321 1.00 0.00 C ATOM 2147 CE1 HIS A 134 -21.829 1.543 -8.047 1.00 0.00 C ATOM 2148 NE2 HIS A 134 -21.965 2.746 -7.515 1.00 0.00 N ATOM 0 H HIS A 134 -15.901 2.458 -8.195 1.00 0.00 H new ATOM 0 HA HIS A 134 -18.158 4.114 -8.875 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -17.942 1.558 -8.490 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -17.932 1.943 -6.780 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -20.414 4.181 -6.898 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -22.651 0.899 -8.323 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -22.837 3.226 -7.293 1.00 0.00 H new ATOM 2156 N MET A 135 -16.668 4.370 -5.956 1.00 0.00 N ATOM 2157 CA MET A 135 -16.504 5.188 -4.738 1.00 0.00 C ATOM 2158 C MET A 135 -16.152 6.635 -5.102 1.00 0.00 C ATOM 2159 O MET A 135 -16.770 7.587 -4.615 1.00 0.00 O ATOM 2160 CB MET A 135 -15.403 4.613 -3.838 1.00 0.00 C ATOM 2161 CG MET A 135 -15.590 3.166 -3.346 1.00 0.00 C ATOM 2162 SD MET A 135 -17.022 2.897 -2.270 1.00 0.00 S ATOM 2163 CE MET A 135 -18.374 2.719 -3.430 1.00 0.00 C ATOM 0 H MET A 135 -15.964 3.639 -6.056 1.00 0.00 H new ATOM 0 HA MET A 135 -17.451 5.171 -4.199 1.00 0.00 H new ATOM 0 HB2 MET A 135 -14.459 4.668 -4.380 1.00 0.00 H new ATOM 0 HB3 MET A 135 -15.307 5.258 -2.965 1.00 0.00 H new ATOM 0 HG2 MET A 135 -15.680 2.513 -4.214 1.00 0.00 H new ATOM 0 HG3 MET A 135 -14.691 2.862 -2.810 1.00 0.00 H new ATOM 0 HE1 MET A 135 -18.966 3.634 -3.442 1.00 0.00 H new ATOM 0 HE2 MET A 135 -17.976 2.531 -4.427 1.00 0.00 H new ATOM 0 HE3 MET A 135 -19.005 1.883 -3.128 1.00 0.00 H new ATOM 2173 N LYS A 136 -15.202 6.795 -6.008 1.00 0.00 N ATOM 2174 CA LYS A 136 -14.766 8.128 -6.454 1.00 0.00 C ATOM 2175 C LYS A 136 -15.807 8.759 -7.339 1.00 0.00 C ATOM 2176 O LYS A 136 -15.801 9.945 -7.589 1.00 0.00 O ATOM 2177 CB LYS A 136 -13.405 8.120 -7.120 1.00 0.00 C ATOM 2178 CG LYS A 136 -13.290 7.160 -8.263 1.00 0.00 C ATOM 2179 CD LYS A 136 -11.971 7.291 -8.981 1.00 0.00 C ATOM 2180 CE LYS A 136 -10.802 7.104 -8.045 1.00 0.00 C ATOM 2181 NZ LYS A 136 -9.515 7.190 -8.758 1.00 0.00 N ATOM 0 H LYS A 136 -14.710 6.022 -6.456 1.00 0.00 H new ATOM 0 HA LYS A 136 -14.655 8.737 -5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -13.182 9.125 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -12.649 7.873 -6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -13.401 6.141 -7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -14.104 7.335 -8.966 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.918 6.553 -9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -11.908 8.273 -9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -10.837 7.863 -7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -10.881 6.135 -7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -8.735 7.057 -8.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -9.472 6.450 -9.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -9.429 8.124 -9.207 1.00 0.00 H new ATOM 2195 N THR A 137 -16.675 7.929 -7.830 1.00 0.00 N ATOM 2196 CA THR A 137 -17.782 8.320 -8.599 1.00 0.00 C ATOM 2197 C THR A 137 -18.807 9.093 -7.712 1.00 0.00 C ATOM 2198 O THR A 137 -19.714 9.776 -8.215 1.00 0.00 O ATOM 2199 CB THR A 137 -18.320 7.052 -9.267 1.00 0.00 C ATOM 2200 OG1 THR A 137 -17.772 6.858 -10.568 1.00 0.00 O ATOM 2201 CG2 THR A 137 -19.782 6.875 -9.207 1.00 0.00 C ATOM 0 H THR A 137 -16.615 6.920 -7.691 1.00 0.00 H new ATOM 0 HA THR A 137 -17.528 9.029 -9.387 1.00 0.00 H new ATOM 0 HB THR A 137 -17.955 6.235 -8.645 1.00 0.00 H new ATOM 0 HG1 THR A 137 -16.966 6.304 -10.504 1.00 0.00 H new ATOM 0 HG21 THR A 137 -20.057 5.947 -9.709 1.00 0.00 H new ATOM 0 HG22 THR A 137 -20.101 6.833 -8.166 1.00 0.00 H new ATOM 0 HG23 THR A 137 -20.271 7.714 -9.702 1.00 0.00 H new ATOM 2209 N TYR A 138 -18.649 8.978 -6.394 1.00 0.00 N ATOM 2210 CA TYR A 138 -19.353 9.814 -5.491 1.00 0.00 C ATOM 2211 C TYR A 138 -18.450 10.982 -5.191 1.00 0.00 C ATOM 2212 O TYR A 138 -18.751 12.111 -5.559 1.00 0.00 O ATOM 2213 CB TYR A 138 -19.696 9.073 -4.198 1.00 0.00 C ATOM 2214 CG TYR A 138 -20.672 7.952 -4.380 1.00 0.00 C ATOM 2215 CD1 TYR A 138 -22.026 8.205 -4.447 1.00 0.00 C ATOM 2216 CD2 TYR A 138 -20.243 6.647 -4.492 1.00 0.00 C ATOM 2217 CE1 TYR A 138 -22.933 7.186 -4.617 1.00 0.00 C ATOM 2218 CE2 TYR A 138 -21.133 5.617 -4.665 1.00 0.00 C ATOM 2219 CZ TYR A 138 -22.483 5.892 -4.725 1.00 0.00 C ATOM 2220 OH TYR A 138 -23.387 4.869 -4.896 1.00 0.00 O ATOM 0 H TYR A 138 -18.029 8.301 -5.949 1.00 0.00 H new ATOM 0 HA TYR A 138 -20.296 10.137 -5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -18.778 8.675 -3.765 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -20.105 9.785 -3.481 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -22.380 9.222 -4.364 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -19.186 6.431 -4.443 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -23.990 7.401 -4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -20.779 4.600 -4.753 1.00 0.00 H new ATOM 0 HH TYR A 138 -22.908 4.016 -4.956 1.00 0.00 H new ATOM 2230 N SER A 139 -17.301 10.669 -4.559 1.00 0.00 N ATOM 2231 CA SER A 139 -16.262 11.632 -4.160 1.00 0.00 C ATOM 2232 C SER A 139 -16.809 12.878 -3.452 1.00 0.00 C ATOM 2233 O SER A 139 -16.192 13.948 -3.461 1.00 0.00 O ATOM 2234 CB SER A 139 -15.330 11.982 -5.338 1.00 0.00 C ATOM 2235 OG SER A 139 -16.042 12.407 -6.495 1.00 0.00 O ATOM 0 H SER A 139 -17.066 9.709 -4.306 1.00 0.00 H new ATOM 0 HA SER A 139 -15.659 11.126 -3.406 1.00 0.00 H new ATOM 0 HB2 SER A 139 -14.642 12.770 -5.030 1.00 0.00 H new ATOM 0 HB3 SER A 139 -14.725 11.111 -5.589 1.00 0.00 H new ATOM 0 HG SER A 139 -16.130 11.656 -7.119 1.00 0.00 H new ATOM 2241 N GLY A 140 -17.909 12.722 -2.782 1.00 0.00 N ATOM 2242 CA GLY A 140 -18.496 13.791 -2.116 1.00 0.00 C ATOM 2243 C GLY A 140 -19.261 13.222 -1.035 1.00 0.00 C ATOM 2244 O GLY A 140 -19.695 12.062 -1.206 1.00 0.00 O ATOM 2245 OXT GLY A 140 -19.432 13.877 -0.011 1.00 0.00 O ATOM 0 H GLY A 140 -18.409 11.837 -2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -17.738 14.477 -1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -19.137 14.363 -2.787 1.00 0.00 H new TER 2249 GLY A 140