USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=32 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 -155:sc= -0.369 (180deg=-1.17) USER MOD Set 1.2: A 134 HIS : no HD1:sc= -0.092 X(o=-1.5,f=-1.5) USER MOD Set 1.3: A 135 MET CE :methyl 141:sc= -1 (180deg=-1.86) USER MOD Set 2.1: A 110 SER OG : rot 180:sc= 0.651 USER MOD Set 2.2: A 111 HIS : no HD1:sc= -0.0202 K(o=0.63,f=-2.5) USER MOD Set 2.3: A 115 ASN : amide:sc= 0 K(o=0.63,f=-0.42) USER MOD Set 3.1: A 85 THR OG1 : rot -132:sc= 2.16 USER MOD Set 3.2: A 98 GLN : amide:sc= -2.91! C(o=-0.75!,f=-6.5!) USER MOD Set 4.1: A 66 SER OG : rot -103:sc= 0.728 USER MOD Set 4.2: A 69 SER OG : rot 125:sc= 1.2 USER MOD Set 5.1: A 29 LYS NZ :NH3+ -150:sc= 1.07 (180deg=0.436) USER MOD Set 5.2: A 43 TYR OH : rot 15:sc= 1.24 USER MOD Set 6.1: A 12 HIS : no HE2:sc= 0.71 K(o=0.18,f=-9.5!) USER MOD Set 6.2: A 14 GLN : amide:sc= -1.49 X(o=0.18,f=0.39) USER MOD Set 6.3: A 28 HIS : no HE2:sc= 0.967 K(o=0.18,f=-7.5!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0939 X(o=-0.094,f=-0.015) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= -0.0215 (180deg=-0.152) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc=-0.00375 X(o=-0.0037,f=-0.0013) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 2:sc= 1.2 USER MOD Single : A 36 MET CE :methyl 175:sc= -0.323 (180deg=-0.447) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.55) USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= 0.739 (180deg=0.463) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 15:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= -0.0306 (180deg=-0.735) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 159:sc=-0.00881 (180deg=-0.225) USER MOD Single : A 70 LYS NZ :NH3+ -112:sc= 0.965 (180deg=-0.767!) USER MOD Single : A 72 ASN : amide:sc= -0.754 K(o=-0.75,f=-8!) 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 84 SER OG : rot 48:sc= -0.6! USER MOD Single : A 87 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-1.9!) USER MOD Single : A 94 SER OG : rot 178:sc= 0.328 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.802 K(o=-0.8,f=0) USER MOD Single : A 113 GLN : amide:sc= -1.22! K(o=-1.2!,f=-2.8) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 72:sc= 1.18 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 90:sc= 1.07 USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 104:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 34.600 7.941 -8.930 1.00 0.00 N ATOM 2 CA ALA A 1 33.524 8.079 -7.959 1.00 0.00 C ATOM 3 C ALA A 1 33.775 7.172 -6.776 1.00 0.00 C ATOM 4 O ALA A 1 34.015 7.650 -5.663 1.00 0.00 O ATOM 5 CB ALA A 1 32.170 7.794 -8.590 1.00 0.00 C ATOM 0 H1 ALA A 1 34.419 8.568 -9.740 1.00 0.00 H new ATOM 0 H2 ALA A 1 35.504 8.201 -8.486 1.00 0.00 H new ATOM 0 H3 ALA A 1 34.647 6.955 -9.259 1.00 0.00 H new ATOM 0 HA ALA A 1 33.507 9.111 -7.609 1.00 0.00 H new ATOM 0 HB1 ALA A 1 31.388 7.905 -7.839 1.00 0.00 H new ATOM 0 HB2 ALA A 1 31.993 8.496 -9.405 1.00 0.00 H new ATOM 0 HB3 ALA A 1 32.157 6.776 -8.979 1.00 0.00 H new ATOM 13 N GLU A 2 33.746 5.870 -7.006 1.00 0.00 N ATOM 14 CA GLU A 2 34.013 4.908 -5.968 1.00 0.00 C ATOM 15 C GLU A 2 34.470 3.609 -6.596 1.00 0.00 C ATOM 16 O GLU A 2 34.368 3.431 -7.817 1.00 0.00 O ATOM 17 CB GLU A 2 32.773 4.645 -5.106 1.00 0.00 C ATOM 18 CG GLU A 2 31.596 4.067 -5.865 1.00 0.00 C ATOM 19 CD GLU A 2 30.515 3.611 -4.948 1.00 0.00 C ATOM 20 OE1 GLU A 2 30.589 2.470 -4.457 1.00 0.00 O ATOM 21 OE2 GLU A 2 29.577 4.360 -4.702 1.00 0.00 O ATOM 0 H GLU A 2 33.537 5.459 -7.916 1.00 0.00 H new ATOM 0 HA GLU A 2 34.792 5.315 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 2 33.043 3.961 -4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 2 32.465 5.580 -4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 2 31.200 4.818 -6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.933 3.228 -6.474 1.00 0.00 H new ATOM 28 N VAL A 3 34.953 2.723 -5.770 1.00 0.00 N ATOM 29 CA VAL A 3 35.402 1.415 -6.163 1.00 0.00 C ATOM 30 C VAL A 3 34.793 0.419 -5.209 1.00 0.00 C ATOM 31 O VAL A 3 34.128 0.818 -4.246 1.00 0.00 O ATOM 32 CB VAL A 3 36.961 1.291 -6.117 1.00 0.00 C ATOM 33 CG1 VAL A 3 37.615 2.233 -7.114 1.00 0.00 C ATOM 34 CG2 VAL A 3 37.504 1.551 -4.709 1.00 0.00 C ATOM 0 H VAL A 3 35.048 2.897 -4.770 1.00 0.00 H new ATOM 0 HA VAL A 3 35.094 1.228 -7.192 1.00 0.00 H new ATOM 0 HB VAL A 3 37.210 0.266 -6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 3 38.698 2.125 -7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 3 37.276 1.990 -8.121 1.00 0.00 H new ATOM 0 HG13 VAL A 3 37.340 3.261 -6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 3 38.590 1.456 -4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 3 37.229 2.557 -4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 3 37.080 0.825 -4.016 1.00 0.00 H new ATOM 44 N GLU A 4 34.975 -0.845 -5.475 1.00 0.00 N ATOM 45 CA GLU A 4 34.515 -1.860 -4.583 1.00 0.00 C ATOM 46 C GLU A 4 35.392 -1.863 -3.342 1.00 0.00 C ATOM 47 O GLU A 4 36.614 -1.996 -3.438 1.00 0.00 O ATOM 48 CB GLU A 4 34.552 -3.238 -5.240 1.00 0.00 C ATOM 49 CG GLU A 4 33.623 -3.438 -6.434 1.00 0.00 C ATOM 50 CD GLU A 4 34.057 -2.706 -7.673 1.00 0.00 C ATOM 51 OE1 GLU A 4 35.218 -2.871 -8.094 1.00 0.00 O ATOM 52 OE2 GLU A 4 33.255 -1.942 -8.235 1.00 0.00 O ATOM 0 H GLU A 4 35.443 -1.194 -6.311 1.00 0.00 H new ATOM 0 HA GLU A 4 33.481 -1.644 -4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 4 35.574 -3.436 -5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 4 34.306 -3.985 -4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 4 33.558 -4.503 -6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 4 32.621 -3.108 -6.161 1.00 0.00 H new ATOM 59 N HIS A 5 34.780 -1.680 -2.201 1.00 0.00 N ATOM 60 CA HIS A 5 35.500 -1.688 -0.947 1.00 0.00 C ATOM 61 C HIS A 5 35.836 -3.114 -0.561 1.00 0.00 C ATOM 62 O HIS A 5 35.359 -4.079 -1.169 1.00 0.00 O ATOM 63 CB HIS A 5 34.698 -1.069 0.200 1.00 0.00 C ATOM 64 CG HIS A 5 34.245 0.362 0.036 1.00 0.00 C ATOM 65 ND1 HIS A 5 34.404 1.320 1.013 1.00 0.00 N ATOM 66 CD2 HIS A 5 33.566 0.971 -0.969 1.00 0.00 C ATOM 67 CE1 HIS A 5 33.831 2.448 0.591 1.00 0.00 C ATOM 68 NE2 HIS A 5 33.305 2.293 -0.613 1.00 0.00 N ATOM 0 H HIS A 5 33.776 -1.522 -2.111 1.00 0.00 H new ATOM 0 HA HIS A 5 36.399 -1.091 -1.101 1.00 0.00 H new ATOM 0 HB2 HIS A 5 33.814 -1.686 0.365 1.00 0.00 H new ATOM 0 HB3 HIS A 5 35.302 -1.130 1.105 1.00 0.00 H new ATOM 0 HD2 HIS A 5 33.274 0.505 -1.898 1.00 0.00 H new ATOM 0 HE1 HIS A 5 33.800 3.367 1.158 1.00 0.00 H new ATOM 0 HE2 HIS A 5 32.812 2.994 -1.165 1.00 0.00 H new ATOM 76 N TYR A 6 36.627 -3.238 0.450 1.00 0.00 N ATOM 77 CA TYR A 6 37.095 -4.494 0.930 1.00 0.00 C ATOM 78 C TYR A 6 36.296 -4.819 2.165 1.00 0.00 C ATOM 79 O TYR A 6 35.994 -5.981 2.459 1.00 0.00 O ATOM 80 CB TYR A 6 38.588 -4.360 1.226 1.00 0.00 C ATOM 81 CG TYR A 6 39.392 -3.849 0.029 1.00 0.00 C ATOM 82 CD1 TYR A 6 39.251 -2.534 -0.405 1.00 0.00 C ATOM 83 CD2 TYR A 6 40.259 -4.674 -0.671 1.00 0.00 C ATOM 84 CE1 TYR A 6 39.938 -2.056 -1.485 1.00 0.00 C ATOM 85 CE2 TYR A 6 40.962 -4.197 -1.769 1.00 0.00 C ATOM 86 CZ TYR A 6 40.793 -2.882 -2.166 1.00 0.00 C ATOM 87 OH TYR A 6 41.478 -2.391 -3.259 1.00 0.00 O ATOM 0 H TYR A 6 36.977 -2.442 0.983 1.00 0.00 H new ATOM 0 HA TYR A 6 36.969 -5.300 0.207 1.00 0.00 H new ATOM 0 HB2 TYR A 6 38.726 -3.680 2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 6 38.980 -5.330 1.533 1.00 0.00 H new ATOM 0 HD1 TYR A 6 38.581 -1.874 0.126 1.00 0.00 H new ATOM 0 HD2 TYR A 6 40.389 -5.700 -0.358 1.00 0.00 H new ATOM 0 HE1 TYR A 6 39.808 -1.031 -1.801 1.00 0.00 H new ATOM 0 HE2 TYR A 6 41.635 -4.847 -2.309 1.00 0.00 H new ATOM 0 HH TYR A 6 42.045 -3.097 -3.634 1.00 0.00 H new ATOM 97 N GLU A 7 35.966 -3.775 2.885 1.00 0.00 N ATOM 98 CA GLU A 7 35.026 -3.844 3.959 1.00 0.00 C ATOM 99 C GLU A 7 33.733 -3.344 3.367 1.00 0.00 C ATOM 100 O GLU A 7 33.653 -2.180 2.983 1.00 0.00 O ATOM 101 CB GLU A 7 35.435 -2.934 5.099 1.00 0.00 C ATOM 102 CG GLU A 7 36.815 -3.197 5.646 1.00 0.00 C ATOM 103 CD GLU A 7 37.128 -2.283 6.792 1.00 0.00 C ATOM 104 OE1 GLU A 7 37.571 -1.139 6.553 1.00 0.00 O ATOM 105 OE2 GLU A 7 36.918 -2.677 7.961 1.00 0.00 O ATOM 0 H GLU A 7 36.353 -2.843 2.733 1.00 0.00 H new ATOM 0 HA GLU A 7 34.954 -4.854 4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 7 35.384 -1.900 4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 7 34.712 -3.038 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 7 36.887 -4.234 5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 7 37.554 -3.061 4.856 1.00 0.00 H new ATOM 112 N PRO A 8 32.730 -4.198 3.219 1.00 0.00 N ATOM 113 CA PRO A 8 31.509 -3.822 2.543 1.00 0.00 C ATOM 114 C PRO A 8 30.668 -2.801 3.306 1.00 0.00 C ATOM 115 O PRO A 8 30.897 -2.510 4.492 1.00 0.00 O ATOM 116 CB PRO A 8 30.772 -5.128 2.356 1.00 0.00 C ATOM 117 CG PRO A 8 31.275 -5.999 3.456 1.00 0.00 C ATOM 118 CD PRO A 8 32.694 -5.584 3.701 1.00 0.00 C ATOM 0 HA PRO A 8 31.725 -3.314 1.603 1.00 0.00 H new ATOM 0 HB2 PRO A 8 29.693 -4.988 2.422 1.00 0.00 H new ATOM 0 HB3 PRO A 8 30.978 -5.564 1.378 1.00 0.00 H new ATOM 0 HG2 PRO A 8 30.673 -5.877 4.356 1.00 0.00 H new ATOM 0 HG3 PRO A 8 31.220 -7.051 3.176 1.00 0.00 H new ATOM 0 HD2 PRO A 8 32.955 -5.649 4.757 1.00 0.00 H new ATOM 0 HD3 PRO A 8 33.397 -6.216 3.159 1.00 0.00 H new ATOM 126 N LEU A 9 29.670 -2.331 2.644 1.00 0.00 N ATOM 127 CA LEU A 9 28.894 -1.217 3.096 1.00 0.00 C ATOM 128 C LEU A 9 27.609 -1.729 3.662 1.00 0.00 C ATOM 129 O LEU A 9 26.806 -2.284 2.935 1.00 0.00 O ATOM 130 CB LEU A 9 28.608 -0.291 1.888 1.00 0.00 C ATOM 131 CG LEU A 9 28.586 1.224 2.135 1.00 0.00 C ATOM 132 CD1 LEU A 9 27.441 1.638 3.042 1.00 0.00 C ATOM 133 CD2 LEU A 9 29.919 1.672 2.710 1.00 0.00 C ATOM 0 H LEU A 9 29.359 -2.715 1.752 1.00 0.00 H new ATOM 0 HA LEU A 9 29.431 -0.658 3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 9 29.359 -0.495 1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.643 -0.576 1.469 1.00 0.00 H new ATOM 0 HG LEU A 9 28.424 1.717 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 9 27.465 2.718 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 9 26.493 1.355 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 9 27.541 1.139 4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 9 29.897 2.748 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 9 30.100 1.156 3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 9 30.717 1.434 2.007 1.00 0.00 H new ATOM 145 N GLN A 10 27.448 -1.596 4.948 1.00 0.00 N ATOM 146 CA GLN A 10 26.231 -1.985 5.609 1.00 0.00 C ATOM 147 C GLN A 10 25.136 -0.998 5.313 1.00 0.00 C ATOM 148 O GLN A 10 25.185 0.165 5.752 1.00 0.00 O ATOM 149 CB GLN A 10 26.416 -2.129 7.114 1.00 0.00 C ATOM 150 CG GLN A 10 27.132 -3.378 7.530 1.00 0.00 C ATOM 151 CD GLN A 10 27.287 -3.513 9.004 1.00 0.00 C ATOM 152 OE1 GLN A 10 28.278 -3.081 9.582 1.00 0.00 O ATOM 153 NE2 GLN A 10 26.331 -4.126 9.622 1.00 0.00 N ATOM 0 H GLN A 10 28.159 -1.213 5.571 1.00 0.00 H new ATOM 0 HA GLN A 10 25.950 -2.963 5.219 1.00 0.00 H new ATOM 0 HB2 GLN A 10 26.970 -1.266 7.485 1.00 0.00 H new ATOM 0 HB3 GLN A 10 25.437 -2.109 7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 10 26.588 -4.243 7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 10 28.118 -3.393 7.066 1.00 0.00 H new ATOM 0 HE21 GLN A 10 25.524 -4.469 9.101 1.00 0.00 H new ATOM 0 HE22 GLN A 10 26.384 -4.266 10.631 1.00 0.00 H new ATOM 162 N VAL A 11 24.200 -1.438 4.531 1.00 0.00 N ATOM 163 CA VAL A 11 23.074 -0.653 4.157 1.00 0.00 C ATOM 164 C VAL A 11 21.836 -1.290 4.747 1.00 0.00 C ATOM 165 O VAL A 11 21.588 -2.468 4.521 1.00 0.00 O ATOM 166 CB VAL A 11 22.880 -0.651 2.623 1.00 0.00 C ATOM 167 CG1 VAL A 11 21.902 0.412 2.200 1.00 0.00 C ATOM 168 CG2 VAL A 11 24.190 -0.539 1.869 1.00 0.00 C ATOM 0 H VAL A 11 24.201 -2.375 4.128 1.00 0.00 H new ATOM 0 HA VAL A 11 23.234 0.365 4.512 1.00 0.00 H new ATOM 0 HB VAL A 11 22.457 -1.620 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 11 21.786 0.389 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 11 20.937 0.227 2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 11 22.274 1.390 2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 11 23.994 -0.542 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.690 0.390 2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.830 -1.384 2.124 1.00 0.00 H new ATOM 178 N HIS A 12 21.081 -0.544 5.486 1.00 0.00 N ATOM 179 CA HIS A 12 19.839 -1.034 6.018 1.00 0.00 C ATOM 180 C HIS A 12 18.755 -0.541 5.092 1.00 0.00 C ATOM 181 O HIS A 12 18.479 0.639 5.031 1.00 0.00 O ATOM 182 CB HIS A 12 19.620 -0.494 7.441 1.00 0.00 C ATOM 183 CG HIS A 12 18.418 -1.058 8.166 1.00 0.00 C ATOM 184 ND1 HIS A 12 18.509 -1.838 9.288 1.00 0.00 N ATOM 185 CD2 HIS A 12 17.087 -0.904 7.930 1.00 0.00 C ATOM 186 CE1 HIS A 12 17.274 -2.131 9.693 1.00 0.00 C ATOM 187 NE2 HIS A 12 16.369 -1.584 8.904 1.00 0.00 N ATOM 0 H HIS A 12 21.301 0.419 5.741 1.00 0.00 H new ATOM 0 HA HIS A 12 19.836 -2.122 6.081 1.00 0.00 H new ATOM 0 HB2 HIS A 12 20.512 -0.702 8.033 1.00 0.00 H new ATOM 0 HB3 HIS A 12 19.517 0.590 7.389 1.00 0.00 H new ATOM 0 HD1 HIS A 12 19.373 -2.142 9.736 1.00 0.00 H new ATOM 0 HD2 HIS A 12 16.657 -0.342 7.114 1.00 0.00 H new ATOM 0 HE1 HIS A 12 17.043 -2.738 10.556 1.00 0.00 H new ATOM 195 N VAL A 13 18.199 -1.424 4.345 1.00 0.00 N ATOM 196 CA VAL A 13 17.222 -1.074 3.379 1.00 0.00 C ATOM 197 C VAL A 13 15.837 -1.383 3.865 1.00 0.00 C ATOM 198 O VAL A 13 15.563 -2.471 4.407 1.00 0.00 O ATOM 199 CB VAL A 13 17.474 -1.761 2.009 1.00 0.00 C ATOM 200 CG1 VAL A 13 18.819 -1.389 1.483 1.00 0.00 C ATOM 201 CG2 VAL A 13 17.369 -3.263 2.087 1.00 0.00 C ATOM 0 H VAL A 13 18.411 -2.421 4.387 1.00 0.00 H new ATOM 0 HA VAL A 13 17.309 0.002 3.231 1.00 0.00 H new ATOM 0 HB VAL A 13 16.695 -1.407 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.982 -1.878 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 13 18.873 -0.308 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 13 19.587 -1.709 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 13 17.554 -3.692 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 13 18.107 -3.643 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 13 16.370 -3.541 2.422 1.00 0.00 H new ATOM 211 N GLN A 14 14.991 -0.427 3.726 1.00 0.00 N ATOM 212 CA GLN A 14 13.611 -0.607 4.009 1.00 0.00 C ATOM 213 C GLN A 14 12.925 -0.753 2.681 1.00 0.00 C ATOM 214 O GLN A 14 12.878 0.203 1.892 1.00 0.00 O ATOM 215 CB GLN A 14 13.025 0.581 4.779 1.00 0.00 C ATOM 216 CG GLN A 14 11.580 0.365 5.216 1.00 0.00 C ATOM 217 CD GLN A 14 10.973 1.576 5.890 1.00 0.00 C ATOM 218 OE1 GLN A 14 11.066 1.750 7.102 1.00 0.00 O ATOM 219 NE2 GLN A 14 10.296 2.389 5.132 1.00 0.00 N ATOM 0 H GLN A 14 15.238 0.511 3.410 1.00 0.00 H new ATOM 0 HA GLN A 14 13.467 -1.483 4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.638 0.772 5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 14 13.078 1.472 4.154 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.979 0.103 4.345 1.00 0.00 H new ATOM 0 HG3 GLN A 14 11.537 -0.483 5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.236 2.219 4.128 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.825 3.196 5.542 1.00 0.00 H new ATOM 228 N LEU A 15 12.483 -1.936 2.387 1.00 0.00 N ATOM 229 CA LEU A 15 11.817 -2.168 1.155 1.00 0.00 C ATOM 230 C LEU A 15 10.338 -2.028 1.342 1.00 0.00 C ATOM 231 O LEU A 15 9.746 -2.736 2.166 1.00 0.00 O ATOM 232 CB LEU A 15 12.108 -3.552 0.570 1.00 0.00 C ATOM 233 CG LEU A 15 13.534 -3.876 0.108 1.00 0.00 C ATOM 234 CD1 LEU A 15 14.349 -2.649 -0.295 1.00 0.00 C ATOM 235 CD2 LEU A 15 14.268 -4.803 1.044 1.00 0.00 C ATOM 0 H LEU A 15 12.574 -2.755 2.989 1.00 0.00 H new ATOM 0 HA LEU A 15 12.194 -1.424 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.828 -4.292 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.445 -3.696 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 15 13.407 -4.438 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.345 -2.961 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.852 -2.137 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.432 -1.972 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.270 -4.991 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.339 -4.343 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.726 -5.746 1.121 1.00 0.00 H new ATOM 247 N GLU A 16 9.746 -1.118 0.626 1.00 0.00 N ATOM 248 CA GLU A 16 8.324 -0.955 0.660 1.00 0.00 C ATOM 249 C GLU A 16 7.747 -1.525 -0.611 1.00 0.00 C ATOM 250 O GLU A 16 8.381 -1.473 -1.666 1.00 0.00 O ATOM 251 CB GLU A 16 7.926 0.514 0.749 1.00 0.00 C ATOM 252 CG GLU A 16 8.533 1.279 1.900 1.00 0.00 C ATOM 253 CD GLU A 16 8.009 2.688 1.968 1.00 0.00 C ATOM 254 OE1 GLU A 16 8.307 3.496 1.067 1.00 0.00 O ATOM 255 OE2 GLU A 16 7.260 3.011 2.919 1.00 0.00 O ATOM 0 H GLU A 16 10.233 -0.471 0.005 1.00 0.00 H new ATOM 0 HA GLU A 16 7.943 -1.470 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.208 1.007 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.840 0.575 0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.314 0.764 2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.618 1.299 1.793 1.00 0.00 H new ATOM 262 N LYS A 17 6.589 -2.080 -0.515 1.00 0.00 N ATOM 263 CA LYS A 17 5.874 -2.575 -1.663 1.00 0.00 C ATOM 264 C LYS A 17 4.564 -1.839 -1.702 1.00 0.00 C ATOM 265 O LYS A 17 3.729 -2.058 -0.842 1.00 0.00 O ATOM 266 CB LYS A 17 5.644 -4.088 -1.543 1.00 0.00 C ATOM 267 CG LYS A 17 6.916 -4.934 -1.541 1.00 0.00 C ATOM 268 CD LYS A 17 7.616 -4.908 -2.896 1.00 0.00 C ATOM 269 CE LYS A 17 8.902 -5.731 -2.891 1.00 0.00 C ATOM 270 NZ LYS A 17 8.676 -7.150 -2.525 1.00 0.00 N ATOM 0 H LYS A 17 6.097 -2.209 0.369 1.00 0.00 H new ATOM 0 HA LYS A 17 6.440 -2.411 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.093 -4.285 -0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.011 -4.411 -2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.596 -4.565 -0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.668 -5.963 -1.280 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.941 -5.294 -3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.846 -3.877 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.361 -5.684 -3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.609 -5.288 -2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.544 -7.696 -2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.425 -7.213 -1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.901 -7.538 -3.100 1.00 0.00 H new ATOM 284 N VAL A 18 4.373 -0.971 -2.672 1.00 0.00 N ATOM 285 CA VAL A 18 3.216 -0.110 -2.646 1.00 0.00 C ATOM 286 C VAL A 18 2.127 -0.757 -3.418 1.00 0.00 C ATOM 287 O VAL A 18 2.314 -1.156 -4.583 1.00 0.00 O ATOM 288 CB VAL A 18 3.479 1.310 -3.223 1.00 0.00 C ATOM 289 CG1 VAL A 18 2.332 2.261 -2.899 1.00 0.00 C ATOM 290 CG2 VAL A 18 4.809 1.868 -2.757 1.00 0.00 C ATOM 0 H VAL A 18 4.992 -0.845 -3.473 1.00 0.00 H new ATOM 0 HA VAL A 18 2.943 0.028 -1.600 1.00 0.00 H new ATOM 0 HB VAL A 18 3.532 1.214 -4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.546 3.245 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.408 1.877 -3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.221 2.342 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.956 2.861 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.815 1.934 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.614 1.211 -3.085 1.00 0.00 H new ATOM 300 N TYR A 19 1.034 -0.918 -2.774 1.00 0.00 N ATOM 301 CA TYR A 19 -0.092 -1.513 -3.362 1.00 0.00 C ATOM 302 C TYR A 19 -1.185 -0.492 -3.453 1.00 0.00 C ATOM 303 O TYR A 19 -1.182 0.499 -2.711 1.00 0.00 O ATOM 304 CB TYR A 19 -0.531 -2.683 -2.528 1.00 0.00 C ATOM 305 CG TYR A 19 0.543 -3.717 -2.327 1.00 0.00 C ATOM 306 CD1 TYR A 19 0.933 -4.537 -3.365 1.00 0.00 C ATOM 307 CD2 TYR A 19 1.137 -3.890 -1.093 1.00 0.00 C ATOM 308 CE1 TYR A 19 1.888 -5.513 -3.184 1.00 0.00 C ATOM 309 CE2 TYR A 19 2.099 -4.854 -0.898 1.00 0.00 C ATOM 310 CZ TYR A 19 2.468 -5.669 -1.946 1.00 0.00 C ATOM 311 OH TYR A 19 3.417 -6.642 -1.752 1.00 0.00 O ATOM 0 H TYR A 19 0.899 -0.632 -1.804 1.00 0.00 H new ATOM 0 HA TYR A 19 0.148 -1.871 -4.363 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.861 -2.321 -1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.392 -3.154 -3.002 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.481 -4.412 -4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.842 -3.259 -0.268 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.179 -6.150 -4.006 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.562 -4.971 0.071 1.00 0.00 H new ATOM 0 HH TYR A 19 3.726 -6.617 -0.822 1.00 0.00 H new ATOM 321 N LEU A 20 -2.120 -0.734 -4.329 1.00 0.00 N ATOM 322 CA LEU A 20 -3.215 0.194 -4.561 1.00 0.00 C ATOM 323 C LEU A 20 -4.148 0.231 -3.390 1.00 0.00 C ATOM 324 O LEU A 20 -4.722 1.260 -3.085 1.00 0.00 O ATOM 325 CB LEU A 20 -4.051 -0.187 -5.800 1.00 0.00 C ATOM 326 CG LEU A 20 -3.379 -0.132 -7.169 1.00 0.00 C ATOM 327 CD1 LEU A 20 -2.422 -1.288 -7.392 1.00 0.00 C ATOM 328 CD2 LEU A 20 -4.416 -0.061 -8.267 1.00 0.00 C ATOM 0 H LEU A 20 -2.153 -1.575 -4.906 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.749 1.167 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.422 -1.201 -5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.921 0.470 -5.829 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.779 0.778 -7.198 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.971 -1.201 -8.380 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.640 -1.265 -6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.967 -2.230 -7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.918 -0.022 -9.236 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.054 -0.943 -8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.024 0.834 -8.136 1.00 0.00 H new ATOM 340 N ASP A 21 -4.233 -0.877 -2.715 1.00 0.00 N ATOM 341 CA ASP A 21 -5.269 -1.099 -1.710 1.00 0.00 C ATOM 342 C ASP A 21 -5.014 -0.467 -0.355 1.00 0.00 C ATOM 343 O ASP A 21 -5.894 -0.504 0.509 1.00 0.00 O ATOM 344 CB ASP A 21 -5.541 -2.565 -1.544 1.00 0.00 C ATOM 345 CG ASP A 21 -4.400 -3.304 -0.914 1.00 0.00 C ATOM 346 OD1 ASP A 21 -3.391 -3.531 -1.575 1.00 0.00 O ATOM 347 OD2 ASP A 21 -4.530 -3.724 0.232 1.00 0.00 O ATOM 0 H ASP A 21 -3.593 -1.662 -2.835 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.145 -0.585 -2.107 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.434 -2.696 -0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.756 -3.002 -2.519 1.00 0.00 H new ATOM 352 N GLY A 22 -3.851 0.083 -0.138 1.00 0.00 N ATOM 353 CA GLY A 22 -3.631 0.738 1.120 1.00 0.00 C ATOM 354 C GLY A 22 -2.719 -0.021 2.019 1.00 0.00 C ATOM 355 O GLY A 22 -2.391 0.444 3.113 1.00 0.00 O ATOM 0 H GLY A 22 -3.067 0.092 -0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.213 1.728 0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.588 0.882 1.621 1.00 0.00 H new ATOM 359 N ASP A 23 -2.333 -1.186 1.602 1.00 0.00 N ATOM 360 CA ASP A 23 -1.377 -1.946 2.351 1.00 0.00 C ATOM 361 C ASP A 23 -0.025 -1.820 1.677 1.00 0.00 C ATOM 362 O ASP A 23 0.065 -1.396 0.510 1.00 0.00 O ATOM 363 CB ASP A 23 -1.814 -3.416 2.518 1.00 0.00 C ATOM 364 CG ASP A 23 -0.853 -4.247 3.363 1.00 0.00 C ATOM 365 OD1 ASP A 23 -0.366 -3.745 4.397 1.00 0.00 O ATOM 366 OD2 ASP A 23 -0.597 -5.429 3.035 1.00 0.00 O ATOM 0 H ASP A 23 -2.664 -1.633 0.747 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.308 -1.546 3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.803 -3.443 2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.906 -3.873 1.533 1.00 0.00 H new ATOM 371 N VAL A 24 1.001 -2.105 2.410 1.00 0.00 N ATOM 372 CA VAL A 24 2.354 -2.012 1.951 1.00 0.00 C ATOM 373 C VAL A 24 3.224 -2.966 2.760 1.00 0.00 C ATOM 374 O VAL A 24 3.215 -2.936 3.995 1.00 0.00 O ATOM 375 CB VAL A 24 2.869 -0.529 2.009 1.00 0.00 C ATOM 376 CG1 VAL A 24 2.538 0.118 3.335 1.00 0.00 C ATOM 377 CG2 VAL A 24 4.358 -0.428 1.732 1.00 0.00 C ATOM 0 H VAL A 24 0.921 -2.420 3.377 1.00 0.00 H new ATOM 0 HA VAL A 24 2.408 -2.310 0.904 1.00 0.00 H new ATOM 0 HB VAL A 24 2.347 0.011 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.908 1.143 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.458 0.121 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.009 -0.444 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.668 0.616 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.906 -1.006 2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.571 -0.821 0.738 1.00 0.00 H new ATOM 387 N SER A 25 3.907 -3.848 2.078 1.00 0.00 N ATOM 388 CA SER A 25 4.766 -4.798 2.736 1.00 0.00 C ATOM 389 C SER A 25 6.105 -4.123 2.993 1.00 0.00 C ATOM 390 O SER A 25 6.710 -3.563 2.072 1.00 0.00 O ATOM 391 CB SER A 25 4.914 -6.071 1.874 1.00 0.00 C ATOM 392 OG SER A 25 5.606 -7.105 2.564 1.00 0.00 O ATOM 0 H SER A 25 3.885 -3.928 1.061 1.00 0.00 H new ATOM 0 HA SER A 25 4.339 -5.112 3.688 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.926 -6.428 1.582 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.449 -5.827 0.956 1.00 0.00 H new ATOM 0 HG SER A 25 5.677 -7.893 1.986 1.00 0.00 H new ATOM 398 N ILE A 26 6.525 -4.125 4.241 1.00 0.00 N ATOM 399 CA ILE A 26 7.735 -3.457 4.649 1.00 0.00 C ATOM 400 C ILE A 26 8.783 -4.488 5.049 1.00 0.00 C ATOM 401 O ILE A 26 8.577 -5.265 5.994 1.00 0.00 O ATOM 402 CB ILE A 26 7.456 -2.528 5.864 1.00 0.00 C ATOM 403 CG1 ILE A 26 6.349 -1.517 5.548 1.00 0.00 C ATOM 404 CG2 ILE A 26 8.714 -1.805 6.302 1.00 0.00 C ATOM 405 CD1 ILE A 26 6.666 -0.582 4.411 1.00 0.00 C ATOM 0 H ILE A 26 6.032 -4.593 5.001 1.00 0.00 H new ATOM 0 HA ILE A 26 8.099 -2.860 3.813 1.00 0.00 H new ATOM 0 HB ILE A 26 7.119 -3.161 6.685 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.434 -2.060 5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.147 -0.927 6.442 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.487 -1.163 7.153 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.471 -2.534 6.589 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.089 -1.197 5.479 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.829 0.099 4.256 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.561 -0.008 4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.838 -1.159 3.502 1.00 0.00 H new ATOM 417 N GLU A 27 9.871 -4.506 4.351 1.00 0.00 N ATOM 418 CA GLU A 27 10.954 -5.407 4.654 1.00 0.00 C ATOM 419 C GLU A 27 12.149 -4.596 5.123 1.00 0.00 C ATOM 420 O GLU A 27 12.353 -3.479 4.676 1.00 0.00 O ATOM 421 CB GLU A 27 11.312 -6.222 3.408 1.00 0.00 C ATOM 422 CG GLU A 27 12.560 -7.081 3.536 1.00 0.00 C ATOM 423 CD GLU A 27 12.403 -8.257 4.464 1.00 0.00 C ATOM 424 OE1 GLU A 27 12.518 -8.086 5.698 1.00 0.00 O ATOM 425 OE2 GLU A 27 12.218 -9.386 3.978 1.00 0.00 O ATOM 0 H GLU A 27 10.042 -3.898 3.550 1.00 0.00 H new ATOM 0 HA GLU A 27 10.657 -6.099 5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.469 -6.867 3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.445 -5.537 2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.840 -7.446 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.382 -6.459 3.891 1.00 0.00 H new ATOM 432 N HIS A 28 12.916 -5.154 6.013 1.00 0.00 N ATOM 433 CA HIS A 28 14.095 -4.494 6.542 1.00 0.00 C ATOM 434 C HIS A 28 15.253 -5.402 6.438 1.00 0.00 C ATOM 435 O HIS A 28 15.352 -6.406 7.152 1.00 0.00 O ATOM 436 CB HIS A 28 13.947 -4.047 7.992 1.00 0.00 C ATOM 437 CG HIS A 28 13.054 -2.878 8.204 1.00 0.00 C ATOM 438 ND1 HIS A 28 13.473 -1.683 8.727 1.00 0.00 N ATOM 439 CD2 HIS A 28 11.741 -2.766 8.021 1.00 0.00 C ATOM 440 CE1 HIS A 28 12.417 -0.890 8.858 1.00 0.00 C ATOM 441 NE2 HIS A 28 11.322 -1.503 8.443 1.00 0.00 N ATOM 0 H HIS A 28 12.749 -6.083 6.400 1.00 0.00 H new ATOM 0 HA HIS A 28 14.239 -3.594 5.944 1.00 0.00 H new ATOM 0 HB2 HIS A 28 13.568 -4.885 8.577 1.00 0.00 H new ATOM 0 HB3 HIS A 28 14.935 -3.806 8.384 1.00 0.00 H new ATOM 0 HD1 HIS A 28 14.433 -1.444 8.974 1.00 0.00 H new ATOM 0 HD2 HIS A 28 11.100 -3.532 7.610 1.00 0.00 H new ATOM 0 HE1 HIS A 28 12.448 0.116 9.249 1.00 0.00 H new ATOM 449 N LYS A 29 16.109 -5.080 5.568 1.00 0.00 N ATOM 450 CA LYS A 29 17.271 -5.865 5.347 1.00 0.00 C ATOM 451 C LYS A 29 18.478 -5.072 5.629 1.00 0.00 C ATOM 452 O LYS A 29 18.447 -3.855 5.630 1.00 0.00 O ATOM 453 CB LYS A 29 17.427 -6.291 3.910 1.00 0.00 C ATOM 454 CG LYS A 29 16.414 -7.220 3.313 1.00 0.00 C ATOM 455 CD LYS A 29 17.078 -7.926 2.146 1.00 0.00 C ATOM 456 CE LYS A 29 17.640 -6.931 1.119 1.00 0.00 C ATOM 457 NZ LYS A 29 18.533 -7.567 0.133 1.00 0.00 N ATOM 0 H LYS A 29 16.036 -4.255 4.973 1.00 0.00 H new ATOM 0 HA LYS A 29 17.158 -6.733 5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.445 -5.388 3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.405 -6.763 3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.072 -7.942 4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.536 -6.667 2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.884 -8.560 2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.355 -8.581 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.813 -6.451 0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 29 18.185 -6.146 1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.247 -6.880 -0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.007 -8.383 0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.976 -7.887 -0.685 1.00 0.00 H new ATOM 471 N HIS A 30 19.521 -5.753 5.861 1.00 0.00 N ATOM 472 CA HIS A 30 20.800 -5.151 5.903 1.00 0.00 C ATOM 473 C HIS A 30 21.664 -5.850 4.889 1.00 0.00 C ATOM 474 O HIS A 30 21.750 -7.083 4.892 1.00 0.00 O ATOM 475 CB HIS A 30 21.437 -5.085 7.326 1.00 0.00 C ATOM 476 CG HIS A 30 21.764 -6.387 8.040 1.00 0.00 C ATOM 477 ND1 HIS A 30 21.137 -6.803 9.199 1.00 0.00 N ATOM 478 CD2 HIS A 30 22.741 -7.303 7.805 1.00 0.00 C ATOM 479 CE1 HIS A 30 21.737 -7.915 9.625 1.00 0.00 C ATOM 480 NE2 HIS A 30 22.722 -8.269 8.813 1.00 0.00 N ATOM 0 H HIS A 30 19.521 -6.759 6.031 1.00 0.00 H new ATOM 0 HA HIS A 30 20.703 -4.097 5.644 1.00 0.00 H new ATOM 0 HB2 HIS A 30 22.359 -4.509 7.249 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.760 -4.518 7.965 1.00 0.00 H new ATOM 0 HD2 HIS A 30 23.425 -7.286 6.969 1.00 0.00 H new ATOM 0 HE1 HIS A 30 21.456 -8.457 10.516 1.00 0.00 H new ATOM 0 HE2 HIS A 30 23.337 -9.077 8.905 1.00 0.00 H new ATOM 488 N GLU A 31 22.200 -5.124 3.960 1.00 0.00 N ATOM 489 CA GLU A 31 23.075 -5.723 3.019 1.00 0.00 C ATOM 490 C GLU A 31 24.368 -5.015 2.989 1.00 0.00 C ATOM 491 O GLU A 31 24.418 -3.792 3.058 1.00 0.00 O ATOM 492 CB GLU A 31 22.457 -5.866 1.629 1.00 0.00 C ATOM 493 CG GLU A 31 22.023 -4.604 0.935 1.00 0.00 C ATOM 494 CD GLU A 31 21.232 -4.958 -0.300 1.00 0.00 C ATOM 495 OE1 GLU A 31 20.022 -5.222 -0.188 1.00 0.00 O ATOM 496 OE2 GLU A 31 21.812 -5.049 -1.398 1.00 0.00 O ATOM 0 H GLU A 31 22.045 -4.123 3.838 1.00 0.00 H new ATOM 0 HA GLU A 31 23.258 -6.744 3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 31 23.180 -6.372 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 31 21.590 -6.521 1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 31 21.417 -3.996 1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 31 22.894 -4.007 0.664 1.00 0.00 H new ATOM 503 N LYS A 32 25.401 -5.775 2.971 1.00 0.00 N ATOM 504 CA LYS A 32 26.708 -5.272 2.898 1.00 0.00 C ATOM 505 C LYS A 32 27.185 -5.375 1.497 1.00 0.00 C ATOM 506 O LYS A 32 27.527 -6.457 1.013 1.00 0.00 O ATOM 507 CB LYS A 32 27.631 -6.001 3.819 1.00 0.00 C ATOM 508 CG LYS A 32 27.371 -5.788 5.281 1.00 0.00 C ATOM 509 CD LYS A 32 28.462 -6.427 6.128 1.00 0.00 C ATOM 510 CE LYS A 32 28.774 -7.834 5.661 1.00 0.00 C ATOM 511 NZ LYS A 32 29.738 -8.526 6.537 1.00 0.00 N ATOM 0 H LYS A 32 25.351 -6.793 3.008 1.00 0.00 H new ATOM 0 HA LYS A 32 26.700 -4.228 3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 32 27.564 -7.068 3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 32 28.654 -5.696 3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 32 27.320 -4.720 5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.403 -6.213 5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 32 29.365 -5.818 6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 32 28.148 -6.450 7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 32 27.850 -8.411 5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 32 29.173 -7.795 4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 29.915 -9.483 6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 30.631 -7.993 6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 29.349 -8.590 7.499 1.00 0.00 H new ATOM 525 N VAL A 33 27.205 -4.273 0.866 1.00 0.00 N ATOM 526 CA VAL A 33 27.544 -4.188 -0.517 1.00 0.00 C ATOM 527 C VAL A 33 28.911 -3.550 -0.685 1.00 0.00 C ATOM 528 O VAL A 33 29.246 -2.644 0.032 1.00 0.00 O ATOM 529 CB VAL A 33 26.415 -3.464 -1.312 1.00 0.00 C ATOM 530 CG1 VAL A 33 25.881 -2.270 -0.569 1.00 0.00 C ATOM 531 CG2 VAL A 33 26.858 -3.069 -2.688 1.00 0.00 C ATOM 0 H VAL A 33 26.983 -3.375 1.295 1.00 0.00 H new ATOM 0 HA VAL A 33 27.618 -5.190 -0.941 1.00 0.00 H new ATOM 0 HB VAL A 33 25.605 -4.186 -1.416 1.00 0.00 H new ATOM 0 HG11 VAL A 33 25.097 -1.795 -1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 33 25.471 -2.591 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 33 26.688 -1.557 -0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 33 26.039 -2.568 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 33 27.709 -2.392 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 33 27.148 -3.959 -3.246 1.00 0.00 H new ATOM 541 N PHE A 34 29.707 -4.052 -1.599 1.00 0.00 N ATOM 542 CA PHE A 34 31.055 -3.558 -1.766 1.00 0.00 C ATOM 543 C PHE A 34 31.092 -2.221 -2.484 1.00 0.00 C ATOM 544 O PHE A 34 32.031 -1.457 -2.315 1.00 0.00 O ATOM 545 CB PHE A 34 31.933 -4.577 -2.483 1.00 0.00 C ATOM 546 CG PHE A 34 32.035 -5.892 -1.772 1.00 0.00 C ATOM 547 CD1 PHE A 34 32.680 -5.982 -0.551 1.00 0.00 C ATOM 548 CD2 PHE A 34 31.498 -7.040 -2.329 1.00 0.00 C ATOM 549 CE1 PHE A 34 32.787 -7.192 0.103 1.00 0.00 C ATOM 550 CE2 PHE A 34 31.600 -8.254 -1.679 1.00 0.00 C ATOM 551 CZ PHE A 34 32.245 -8.329 -0.461 1.00 0.00 C ATOM 0 H PHE A 34 29.446 -4.802 -2.239 1.00 0.00 H new ATOM 0 HA PHE A 34 31.457 -3.401 -0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 34 31.535 -4.745 -3.484 1.00 0.00 H new ATOM 0 HB3 PHE A 34 32.933 -4.161 -2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 34 33.105 -5.095 -0.105 1.00 0.00 H new ATOM 0 HD2 PHE A 34 30.994 -6.985 -3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 34 33.294 -7.249 1.055 1.00 0.00 H new ATOM 0 HE2 PHE A 34 31.176 -9.143 -2.123 1.00 0.00 H new ATOM 0 HZ PHE A 34 32.325 -9.277 0.050 1.00 0.00 H new ATOM 561 N SER A 35 30.099 -1.940 -3.292 1.00 0.00 N ATOM 562 CA SER A 35 30.063 -0.685 -3.975 1.00 0.00 C ATOM 563 C SER A 35 28.636 -0.186 -4.048 1.00 0.00 C ATOM 564 O SER A 35 27.753 -0.880 -4.559 1.00 0.00 O ATOM 565 CB SER A 35 30.670 -0.827 -5.385 1.00 0.00 C ATOM 566 OG SER A 35 30.745 0.420 -6.070 1.00 0.00 O ATOM 0 H SER A 35 29.315 -2.562 -3.487 1.00 0.00 H new ATOM 0 HA SER A 35 30.658 0.043 -3.424 1.00 0.00 H new ATOM 0 HB2 SER A 35 31.669 -1.256 -5.307 1.00 0.00 H new ATOM 0 HB3 SER A 35 30.068 -1.524 -5.969 1.00 0.00 H new ATOM 0 HG SER A 35 30.415 1.134 -5.486 1.00 0.00 H new ATOM 572 N MET A 36 28.416 1.026 -3.568 1.00 0.00 N ATOM 573 CA MET A 36 27.103 1.666 -3.590 1.00 0.00 C ATOM 574 C MET A 36 26.609 1.775 -5.002 1.00 0.00 C ATOM 575 O MET A 36 25.426 1.665 -5.261 1.00 0.00 O ATOM 576 CB MET A 36 27.166 3.051 -2.955 1.00 0.00 C ATOM 577 CG MET A 36 27.323 3.023 -1.456 1.00 0.00 C ATOM 578 SD MET A 36 25.836 3.566 -0.578 1.00 0.00 S ATOM 579 CE MET A 36 24.589 2.495 -1.291 1.00 0.00 C ATOM 0 H MET A 36 29.146 1.601 -3.148 1.00 0.00 H new ATOM 0 HA MET A 36 26.412 1.052 -3.013 1.00 0.00 H new ATOM 0 HB2 MET A 36 28.000 3.602 -3.389 1.00 0.00 H new ATOM 0 HB3 MET A 36 26.257 3.598 -3.206 1.00 0.00 H new ATOM 0 HG2 MET A 36 27.574 2.010 -1.142 1.00 0.00 H new ATOM 0 HG3 MET A 36 28.159 3.662 -1.172 1.00 0.00 H new ATOM 0 HE1 MET A 36 23.638 2.655 -0.782 1.00 0.00 H new ATOM 0 HE2 MET A 36 24.476 2.723 -2.351 1.00 0.00 H new ATOM 0 HE3 MET A 36 24.893 1.455 -1.174 1.00 0.00 H new ATOM 589 N ASP A 37 27.549 1.907 -5.905 1.00 0.00 N ATOM 590 CA ASP A 37 27.292 2.007 -7.342 1.00 0.00 C ATOM 591 C ASP A 37 26.506 0.793 -7.827 1.00 0.00 C ATOM 592 O ASP A 37 25.518 0.920 -8.568 1.00 0.00 O ATOM 593 CB ASP A 37 28.619 2.088 -8.094 1.00 0.00 C ATOM 594 CG ASP A 37 28.458 2.206 -9.592 1.00 0.00 C ATOM 595 OD1 ASP A 37 28.386 1.171 -10.293 1.00 0.00 O ATOM 596 OD2 ASP A 37 28.437 3.339 -10.100 1.00 0.00 O ATOM 0 H ASP A 37 28.540 1.950 -5.668 1.00 0.00 H new ATOM 0 HA ASP A 37 26.706 2.906 -7.532 1.00 0.00 H new ATOM 0 HB2 ASP A 37 29.183 2.947 -7.729 1.00 0.00 H new ATOM 0 HB3 ASP A 37 29.210 1.200 -7.869 1.00 0.00 H new ATOM 601 N ASP A 38 26.919 -0.374 -7.348 1.00 0.00 N ATOM 602 CA ASP A 38 26.287 -1.646 -7.707 1.00 0.00 C ATOM 603 C ASP A 38 24.926 -1.741 -7.057 1.00 0.00 C ATOM 604 O ASP A 38 23.968 -2.231 -7.650 1.00 0.00 O ATOM 605 CB ASP A 38 27.142 -2.824 -7.244 1.00 0.00 C ATOM 606 CG ASP A 38 26.534 -4.163 -7.616 1.00 0.00 C ATOM 607 OD1 ASP A 38 26.507 -4.518 -8.813 1.00 0.00 O ATOM 608 OD2 ASP A 38 26.054 -4.884 -6.718 1.00 0.00 O ATOM 0 H ASP A 38 27.701 -0.470 -6.700 1.00 0.00 H new ATOM 0 HA ASP A 38 26.187 -1.684 -8.792 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.135 -2.744 -7.686 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.269 -2.774 -6.163 1.00 0.00 H new ATOM 613 N PHE A 39 24.853 -1.245 -5.836 1.00 0.00 N ATOM 614 CA PHE A 39 23.640 -1.219 -5.060 1.00 0.00 C ATOM 615 C PHE A 39 22.568 -0.384 -5.773 1.00 0.00 C ATOM 616 O PHE A 39 21.411 -0.797 -5.871 1.00 0.00 O ATOM 617 CB PHE A 39 23.950 -0.637 -3.679 1.00 0.00 C ATOM 618 CG PHE A 39 22.777 -0.509 -2.771 1.00 0.00 C ATOM 619 CD1 PHE A 39 22.022 0.635 -2.783 1.00 0.00 C ATOM 620 CD2 PHE A 39 22.442 -1.522 -1.897 1.00 0.00 C ATOM 621 CE1 PHE A 39 20.952 0.777 -1.954 1.00 0.00 C ATOM 622 CE2 PHE A 39 21.363 -1.384 -1.058 1.00 0.00 C ATOM 623 CZ PHE A 39 20.618 -0.226 -1.093 1.00 0.00 C ATOM 0 H PHE A 39 25.655 -0.842 -5.351 1.00 0.00 H new ATOM 0 HA PHE A 39 23.253 -2.232 -4.947 1.00 0.00 H new ATOM 0 HB2 PHE A 39 24.697 -1.266 -3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 39 24.399 0.348 -3.809 1.00 0.00 H new ATOM 0 HD1 PHE A 39 22.280 1.436 -3.460 1.00 0.00 H new ATOM 0 HD2 PHE A 39 23.030 -2.427 -1.872 1.00 0.00 H new ATOM 0 HE1 PHE A 39 20.367 1.685 -1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 39 21.101 -2.179 -0.375 1.00 0.00 H new ATOM 0 HZ PHE A 39 19.768 -0.112 -0.437 1.00 0.00 H new ATOM 633 N TRP A 40 22.961 0.777 -6.286 1.00 0.00 N ATOM 634 CA TRP A 40 22.029 1.646 -6.984 1.00 0.00 C ATOM 635 C TRP A 40 21.538 0.985 -8.242 1.00 0.00 C ATOM 636 O TRP A 40 20.392 1.089 -8.579 1.00 0.00 O ATOM 637 CB TRP A 40 22.633 3.015 -7.310 1.00 0.00 C ATOM 638 CG TRP A 40 23.125 3.774 -6.112 1.00 0.00 C ATOM 639 CD1 TRP A 40 24.346 4.344 -5.963 1.00 0.00 C ATOM 640 CD2 TRP A 40 22.422 4.020 -4.885 1.00 0.00 C ATOM 641 NE1 TRP A 40 24.457 4.908 -4.722 1.00 0.00 N ATOM 642 CE2 TRP A 40 23.295 4.726 -4.045 1.00 0.00 C ATOM 643 CE3 TRP A 40 21.149 3.706 -4.412 1.00 0.00 C ATOM 644 CZ2 TRP A 40 22.938 5.120 -2.768 1.00 0.00 C ATOM 645 CZ3 TRP A 40 20.798 4.102 -3.149 1.00 0.00 C ATOM 646 CH2 TRP A 40 21.687 4.793 -2.341 1.00 0.00 C ATOM 0 H TRP A 40 23.915 1.134 -6.231 1.00 0.00 H new ATOM 0 HA TRP A 40 21.189 1.816 -6.310 1.00 0.00 H new ATOM 0 HB2 TRP A 40 23.462 2.877 -8.004 1.00 0.00 H new ATOM 0 HB3 TRP A 40 21.884 3.617 -7.824 1.00 0.00 H new ATOM 0 HD1 TRP A 40 25.120 4.352 -6.716 1.00 0.00 H new ATOM 0 HE1 TRP A 40 25.282 5.389 -4.363 1.00 0.00 H new ATOM 0 HE3 TRP A 40 20.452 3.160 -5.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 23.623 5.665 -2.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 19.811 3.872 -2.776 1.00 0.00 H new ATOM 0 HH2 TRP A 40 21.379 5.080 -1.346 1.00 0.00 H new ATOM 657 N ALA A 41 22.410 0.267 -8.899 1.00 0.00 N ATOM 658 CA ALA A 41 22.041 -0.442 -10.119 1.00 0.00 C ATOM 659 C ALA A 41 21.117 -1.611 -9.799 1.00 0.00 C ATOM 660 O ALA A 41 20.219 -1.949 -10.578 1.00 0.00 O ATOM 661 CB ALA A 41 23.280 -0.911 -10.860 1.00 0.00 C ATOM 0 H ALA A 41 23.384 0.151 -8.619 1.00 0.00 H new ATOM 0 HA ALA A 41 21.501 0.246 -10.770 1.00 0.00 H new ATOM 0 HB1 ALA A 41 22.984 -1.438 -11.767 1.00 0.00 H new ATOM 0 HB2 ALA A 41 23.894 -0.050 -11.124 1.00 0.00 H new ATOM 0 HB3 ALA A 41 23.853 -1.583 -10.221 1.00 0.00 H new ATOM 667 N ALA A 42 21.325 -2.195 -8.638 1.00 0.00 N ATOM 668 CA ALA A 42 20.522 -3.301 -8.173 1.00 0.00 C ATOM 669 C ALA A 42 19.103 -2.850 -7.855 1.00 0.00 C ATOM 670 O ALA A 42 18.139 -3.508 -8.229 1.00 0.00 O ATOM 671 CB ALA A 42 21.164 -3.942 -6.949 1.00 0.00 C ATOM 0 H ALA A 42 22.060 -1.913 -7.989 1.00 0.00 H new ATOM 0 HA ALA A 42 20.469 -4.042 -8.970 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.548 -4.774 -6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 42 22.157 -4.308 -7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 42 21.247 -3.203 -6.152 1.00 0.00 H new ATOM 677 N TYR A 43 18.974 -1.707 -7.209 1.00 0.00 N ATOM 678 CA TYR A 43 17.678 -1.225 -6.794 1.00 0.00 C ATOM 679 C TYR A 43 17.186 -0.090 -7.654 1.00 0.00 C ATOM 680 O TYR A 43 16.226 0.574 -7.293 1.00 0.00 O ATOM 681 CB TYR A 43 17.703 -0.800 -5.328 1.00 0.00 C ATOM 682 CG TYR A 43 17.818 -1.952 -4.358 1.00 0.00 C ATOM 683 CD1 TYR A 43 19.041 -2.539 -4.057 1.00 0.00 C ATOM 684 CD2 TYR A 43 16.688 -2.461 -3.758 1.00 0.00 C ATOM 685 CE1 TYR A 43 19.112 -3.604 -3.185 1.00 0.00 C ATOM 686 CE2 TYR A 43 16.750 -3.512 -2.890 1.00 0.00 C ATOM 687 CZ TYR A 43 17.955 -4.084 -2.608 1.00 0.00 C ATOM 688 OH TYR A 43 18.005 -5.143 -1.745 1.00 0.00 O ATOM 0 H TYR A 43 19.753 -1.097 -6.962 1.00 0.00 H new ATOM 0 HA TYR A 43 16.980 -2.054 -6.915 1.00 0.00 H new ATOM 0 HB2 TYR A 43 18.541 -0.121 -5.171 1.00 0.00 H new ATOM 0 HB3 TYR A 43 16.794 -0.241 -5.107 1.00 0.00 H new ATOM 0 HD1 TYR A 43 19.944 -2.157 -4.510 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.729 -2.017 -3.980 1.00 0.00 H new ATOM 0 HE1 TYR A 43 20.065 -4.058 -2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 43 15.849 -3.889 -2.429 1.00 0.00 H new ATOM 0 HH TYR A 43 18.931 -5.289 -1.460 1.00 0.00 H new ATOM 698 N ALA A 44 17.813 0.110 -8.809 1.00 0.00 N ATOM 699 CA ALA A 44 17.436 1.187 -9.736 1.00 0.00 C ATOM 700 C ALA A 44 15.959 1.137 -10.164 1.00 0.00 C ATOM 701 O ALA A 44 15.391 2.151 -10.580 1.00 0.00 O ATOM 702 CB ALA A 44 18.331 1.182 -10.961 1.00 0.00 C ATOM 0 H ALA A 44 18.593 -0.462 -9.133 1.00 0.00 H new ATOM 0 HA ALA A 44 17.574 2.117 -9.185 1.00 0.00 H new ATOM 0 HB1 ALA A 44 18.033 1.987 -11.632 1.00 0.00 H new ATOM 0 HB2 ALA A 44 19.367 1.329 -10.655 1.00 0.00 H new ATOM 0 HB3 ALA A 44 18.237 0.226 -11.477 1.00 0.00 H new ATOM 708 N GLY A 45 15.357 -0.036 -10.073 1.00 0.00 N ATOM 709 CA GLY A 45 13.973 -0.189 -10.441 1.00 0.00 C ATOM 710 C GLY A 45 13.020 0.173 -9.317 1.00 0.00 C ATOM 711 O GLY A 45 11.819 0.268 -9.528 1.00 0.00 O ATOM 0 H GLY A 45 15.809 -0.890 -9.748 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.761 0.438 -11.307 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.795 -1.221 -10.744 1.00 0.00 H new ATOM 715 N TRP A 46 13.530 0.267 -8.112 1.00 0.00 N ATOM 716 CA TRP A 46 12.762 0.712 -6.984 1.00 0.00 C ATOM 717 C TRP A 46 12.808 2.241 -6.959 1.00 0.00 C ATOM 718 O TRP A 46 13.704 2.841 -7.541 1.00 0.00 O ATOM 719 CB TRP A 46 13.402 0.219 -5.692 1.00 0.00 C ATOM 720 CG TRP A 46 13.569 -1.250 -5.522 1.00 0.00 C ATOM 721 CD1 TRP A 46 14.378 -2.081 -6.232 1.00 0.00 C ATOM 722 CD2 TRP A 46 12.957 -2.045 -4.525 1.00 0.00 C ATOM 723 NE1 TRP A 46 14.268 -3.357 -5.756 1.00 0.00 N ATOM 724 CE2 TRP A 46 13.404 -3.362 -4.702 1.00 0.00 C ATOM 725 CE3 TRP A 46 12.060 -1.773 -3.509 1.00 0.00 C ATOM 726 CZ2 TRP A 46 12.977 -4.401 -3.888 1.00 0.00 C ATOM 727 CZ3 TRP A 46 11.636 -2.799 -2.720 1.00 0.00 C ATOM 728 CH2 TRP A 46 12.101 -4.098 -2.917 1.00 0.00 C ATOM 0 H TRP A 46 14.498 0.034 -7.890 1.00 0.00 H new ATOM 0 HA TRP A 46 11.743 0.334 -7.065 1.00 0.00 H new ATOM 0 HB2 TRP A 46 14.386 0.681 -5.607 1.00 0.00 H new ATOM 0 HB3 TRP A 46 12.804 0.588 -4.859 1.00 0.00 H new ATOM 0 HD1 TRP A 46 15.013 -1.777 -7.051 1.00 0.00 H new ATOM 0 HE1 TRP A 46 14.753 -4.173 -6.129 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.703 -0.767 -3.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.334 -5.410 -4.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 10.928 -2.603 -1.929 1.00 0.00 H new ATOM 0 HH2 TRP A 46 11.746 -4.885 -2.268 1.00 0.00 H new ATOM 739 N THR A 47 11.869 2.852 -6.302 1.00 0.00 N ATOM 740 CA THR A 47 11.855 4.267 -6.133 1.00 0.00 C ATOM 741 C THR A 47 12.644 4.619 -4.864 1.00 0.00 C ATOM 742 O THR A 47 12.309 4.136 -3.773 1.00 0.00 O ATOM 743 CB THR A 47 10.404 4.732 -5.966 1.00 0.00 C ATOM 744 OG1 THR A 47 9.616 4.295 -7.082 1.00 0.00 O ATOM 745 CG2 THR A 47 10.314 6.233 -5.831 1.00 0.00 C ATOM 0 H THR A 47 11.083 2.372 -5.864 1.00 0.00 H new ATOM 0 HA THR A 47 12.303 4.755 -6.999 1.00 0.00 H new ATOM 0 HB THR A 47 10.016 4.288 -5.049 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.690 4.595 -6.966 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.271 6.526 -5.714 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.881 6.554 -4.957 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.725 6.704 -6.724 1.00 0.00 H new ATOM 753 N LEU A 48 13.703 5.396 -5.014 1.00 0.00 N ATOM 754 CA LEU A 48 14.500 5.840 -3.886 1.00 0.00 C ATOM 755 C LEU A 48 13.727 6.939 -3.200 1.00 0.00 C ATOM 756 O LEU A 48 13.558 8.020 -3.757 1.00 0.00 O ATOM 757 CB LEU A 48 15.900 6.322 -4.388 1.00 0.00 C ATOM 758 CG LEU A 48 17.024 6.669 -3.349 1.00 0.00 C ATOM 759 CD1 LEU A 48 16.852 8.021 -2.691 1.00 0.00 C ATOM 760 CD2 LEU A 48 17.116 5.613 -2.281 1.00 0.00 C ATOM 0 H LEU A 48 14.033 5.735 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 48 14.683 5.034 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 48 16.294 5.548 -5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.738 7.209 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 48 17.947 6.704 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.667 8.189 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.864 8.801 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.901 8.048 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.902 5.878 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.164 5.543 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 48 17.349 4.652 -2.739 1.00 0.00 H new ATOM 772 N VAL A 49 13.207 6.647 -2.039 1.00 0.00 N ATOM 773 CA VAL A 49 12.408 7.607 -1.327 1.00 0.00 C ATOM 774 C VAL A 49 13.302 8.466 -0.466 1.00 0.00 C ATOM 775 O VAL A 49 13.183 9.697 -0.458 1.00 0.00 O ATOM 776 CB VAL A 49 11.286 6.930 -0.491 1.00 0.00 C ATOM 777 CG1 VAL A 49 10.501 7.952 0.302 1.00 0.00 C ATOM 778 CG2 VAL A 49 10.358 6.177 -1.413 1.00 0.00 C ATOM 0 H VAL A 49 13.322 5.751 -1.565 1.00 0.00 H new ATOM 0 HA VAL A 49 11.902 8.241 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 49 11.750 6.240 0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.724 7.448 0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.171 8.478 0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.042 8.667 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.571 5.702 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.912 6.870 -2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.920 5.414 -1.952 1.00 0.00 H new ATOM 788 N GLU A 50 14.214 7.832 0.235 1.00 0.00 N ATOM 789 CA GLU A 50 15.171 8.561 1.020 1.00 0.00 C ATOM 790 C GLU A 50 16.340 7.678 1.287 1.00 0.00 C ATOM 791 O GLU A 50 16.237 6.457 1.183 1.00 0.00 O ATOM 792 CB GLU A 50 14.594 9.036 2.372 1.00 0.00 C ATOM 793 CG GLU A 50 14.230 7.912 3.307 1.00 0.00 C ATOM 794 CD GLU A 50 13.913 8.373 4.704 1.00 0.00 C ATOM 795 OE1 GLU A 50 14.855 8.445 5.538 1.00 0.00 O ATOM 796 OE2 GLU A 50 12.733 8.668 5.003 1.00 0.00 O ATOM 0 H GLU A 50 14.310 6.817 0.275 1.00 0.00 H new ATOM 0 HA GLU A 50 15.456 9.447 0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.324 9.681 2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 50 13.708 9.642 2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.368 7.379 2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 50 15.055 7.201 3.346 1.00 0.00 H new ATOM 803 N GLN A 51 17.434 8.267 1.565 1.00 0.00 N ATOM 804 CA GLN A 51 18.567 7.573 2.025 1.00 0.00 C ATOM 805 C GLN A 51 19.271 8.403 3.057 1.00 0.00 C ATOM 806 O GLN A 51 19.176 9.631 3.055 1.00 0.00 O ATOM 807 CB GLN A 51 19.505 7.200 0.892 1.00 0.00 C ATOM 808 CG GLN A 51 20.038 8.358 0.068 1.00 0.00 C ATOM 809 CD GLN A 51 21.036 7.871 -0.935 1.00 0.00 C ATOM 810 OE1 GLN A 51 22.231 7.817 -0.668 1.00 0.00 O ATOM 811 NE2 GLN A 51 20.559 7.483 -2.084 1.00 0.00 N ATOM 0 H GLN A 51 17.571 9.274 1.477 1.00 0.00 H new ATOM 0 HA GLN A 51 18.238 6.637 2.476 1.00 0.00 H new ATOM 0 HB2 GLN A 51 20.352 6.656 1.311 1.00 0.00 H new ATOM 0 HB3 GLN A 51 18.984 6.513 0.225 1.00 0.00 H new ATOM 0 HG2 GLN A 51 19.215 8.858 -0.442 1.00 0.00 H new ATOM 0 HG3 GLN A 51 20.502 9.095 0.723 1.00 0.00 H new ATOM 0 HE21 GLN A 51 19.557 7.544 -2.267 1.00 0.00 H new ATOM 0 HE22 GLN A 51 21.187 7.118 -2.800 1.00 0.00 H new ATOM 820 N LYS A 52 19.899 7.742 3.954 1.00 0.00 N ATOM 821 CA LYS A 52 20.708 8.342 4.955 1.00 0.00 C ATOM 822 C LYS A 52 21.889 7.453 5.196 1.00 0.00 C ATOM 823 O LYS A 52 21.864 6.292 4.803 1.00 0.00 O ATOM 824 CB LYS A 52 19.922 8.689 6.249 1.00 0.00 C ATOM 825 CG LYS A 52 18.867 7.684 6.712 1.00 0.00 C ATOM 826 CD LYS A 52 18.288 8.123 8.058 1.00 0.00 C ATOM 827 CE LYS A 52 17.090 7.302 8.523 1.00 0.00 C ATOM 828 NZ LYS A 52 15.817 7.721 7.882 1.00 0.00 N ATOM 0 H LYS A 52 19.865 6.725 4.017 1.00 0.00 H new ATOM 0 HA LYS A 52 21.059 9.311 4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 52 20.642 8.821 7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 52 19.431 9.651 6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.072 7.610 5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.311 6.693 6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.071 8.063 8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.992 9.170 7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.271 6.249 8.305 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.993 7.392 9.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.105 6.972 8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.476 8.597 8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.977 7.888 6.868 1.00 0.00 H new ATOM 842 N LYS A 53 22.921 7.981 5.794 1.00 0.00 N ATOM 843 CA LYS A 53 24.161 7.250 5.984 1.00 0.00 C ATOM 844 C LYS A 53 23.934 5.992 6.845 1.00 0.00 C ATOM 845 O LYS A 53 23.841 6.066 8.075 1.00 0.00 O ATOM 846 CB LYS A 53 25.216 8.190 6.602 1.00 0.00 C ATOM 847 CG LYS A 53 26.668 7.748 6.421 1.00 0.00 C ATOM 848 CD LYS A 53 27.010 6.510 7.207 1.00 0.00 C ATOM 849 CE LYS A 53 28.409 6.070 6.929 1.00 0.00 C ATOM 850 NZ LYS A 53 28.774 4.892 7.735 1.00 0.00 N ATOM 0 H LYS A 53 22.935 8.930 6.167 1.00 0.00 H new ATOM 0 HA LYS A 53 24.531 6.904 5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 53 25.097 9.181 6.164 1.00 0.00 H new ATOM 0 HB3 LYS A 53 25.013 8.287 7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 53 26.856 7.563 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 53 27.329 8.559 6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 53 26.892 6.707 8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 53 26.316 5.709 6.952 1.00 0.00 H new ATOM 0 HE2 LYS A 53 28.514 5.834 5.870 1.00 0.00 H new ATOM 0 HE3 LYS A 53 29.098 6.887 7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 29.752 4.612 7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 28.697 5.125 8.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 28.131 4.106 7.511 1.00 0.00 H new ATOM 864 N GLY A 54 23.794 4.866 6.177 1.00 0.00 N ATOM 865 CA GLY A 54 23.624 3.610 6.850 1.00 0.00 C ATOM 866 C GLY A 54 22.304 2.943 6.520 1.00 0.00 C ATOM 867 O GLY A 54 22.177 1.733 6.649 1.00 0.00 O ATOM 0 H GLY A 54 23.796 4.803 5.159 1.00 0.00 H new ATOM 0 HA2 GLY A 54 24.442 2.943 6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.687 3.768 7.927 1.00 0.00 H new ATOM 871 N TYR A 55 21.333 3.714 6.067 1.00 0.00 N ATOM 872 CA TYR A 55 20.012 3.208 5.794 1.00 0.00 C ATOM 873 C TYR A 55 19.440 3.821 4.509 1.00 0.00 C ATOM 874 O TYR A 55 19.502 5.022 4.309 1.00 0.00 O ATOM 875 CB TYR A 55 19.144 3.531 7.016 1.00 0.00 C ATOM 876 CG TYR A 55 17.657 3.573 6.792 1.00 0.00 C ATOM 877 CD1 TYR A 55 17.083 4.740 6.375 1.00 0.00 C ATOM 878 CD2 TYR A 55 16.842 2.490 7.035 1.00 0.00 C ATOM 879 CE1 TYR A 55 15.745 4.864 6.195 1.00 0.00 C ATOM 880 CE2 TYR A 55 15.475 2.584 6.849 1.00 0.00 C ATOM 881 CZ TYR A 55 14.930 3.782 6.428 1.00 0.00 C ATOM 882 OH TYR A 55 13.568 3.906 6.270 1.00 0.00 O ATOM 0 H TYR A 55 21.444 4.710 5.879 1.00 0.00 H new ATOM 0 HA TYR A 55 20.037 2.131 5.627 1.00 0.00 H new ATOM 0 HB2 TYR A 55 19.352 2.790 7.787 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.457 4.498 7.411 1.00 0.00 H new ATOM 0 HD1 TYR A 55 17.717 5.593 6.182 1.00 0.00 H new ATOM 0 HD2 TYR A 55 17.274 1.560 7.374 1.00 0.00 H new ATOM 0 HE1 TYR A 55 15.323 5.804 5.872 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.840 1.730 7.031 1.00 0.00 H new ATOM 0 HH TYR A 55 13.370 4.726 5.771 1.00 0.00 H new ATOM 892 N VAL A 56 18.871 3.003 3.669 1.00 0.00 N ATOM 893 CA VAL A 56 18.284 3.446 2.436 1.00 0.00 C ATOM 894 C VAL A 56 16.832 2.951 2.351 1.00 0.00 C ATOM 895 O VAL A 56 16.535 1.809 2.690 1.00 0.00 O ATOM 896 CB VAL A 56 19.103 2.942 1.213 1.00 0.00 C ATOM 897 CG1 VAL A 56 18.429 3.325 -0.070 1.00 0.00 C ATOM 898 CG2 VAL A 56 20.514 3.514 1.226 1.00 0.00 C ATOM 0 H VAL A 56 18.801 1.997 3.823 1.00 0.00 H new ATOM 0 HA VAL A 56 18.295 4.536 2.416 1.00 0.00 H new ATOM 0 HB VAL A 56 19.159 1.856 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 56 19.018 2.963 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.434 2.881 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 56 18.344 4.410 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 56 21.064 3.145 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 56 20.466 4.602 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 56 21.024 3.204 2.138 1.00 0.00 H new ATOM 908 N LEU A 57 15.946 3.813 1.926 1.00 0.00 N ATOM 909 CA LEU A 57 14.556 3.497 1.799 1.00 0.00 C ATOM 910 C LEU A 57 14.124 3.503 0.329 1.00 0.00 C ATOM 911 O LEU A 57 14.109 4.565 -0.341 1.00 0.00 O ATOM 912 CB LEU A 57 13.723 4.455 2.689 1.00 0.00 C ATOM 913 CG LEU A 57 12.226 4.621 2.383 1.00 0.00 C ATOM 914 CD1 LEU A 57 11.512 3.327 2.211 1.00 0.00 C ATOM 915 CD2 LEU A 57 11.523 5.469 3.429 1.00 0.00 C ATOM 0 H LEU A 57 16.178 4.769 1.655 1.00 0.00 H new ATOM 0 HA LEU A 57 14.373 2.483 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.815 4.114 3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 57 14.184 5.441 2.637 1.00 0.00 H new ATOM 0 HG LEU A 57 12.187 5.141 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.460 3.517 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.956 2.774 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.596 2.741 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.467 5.561 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.620 4.996 4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.976 6.460 3.459 1.00 0.00 H new ATOM 927 N PHE A 58 13.785 2.309 -0.145 1.00 0.00 N ATOM 928 CA PHE A 58 13.315 2.063 -1.506 1.00 0.00 C ATOM 929 C PHE A 58 11.917 1.474 -1.506 1.00 0.00 C ATOM 930 O PHE A 58 11.553 0.700 -0.628 1.00 0.00 O ATOM 931 CB PHE A 58 14.231 1.079 -2.247 1.00 0.00 C ATOM 932 CG PHE A 58 15.399 1.669 -2.976 1.00 0.00 C ATOM 933 CD1 PHE A 58 15.207 2.307 -4.180 1.00 0.00 C ATOM 934 CD2 PHE A 58 16.675 1.550 -2.494 1.00 0.00 C ATOM 935 CE1 PHE A 58 16.258 2.821 -4.894 1.00 0.00 C ATOM 936 CE2 PHE A 58 17.738 2.067 -3.203 1.00 0.00 C ATOM 937 CZ PHE A 58 17.527 2.702 -4.407 1.00 0.00 C ATOM 0 H PHE A 58 13.830 1.462 0.421 1.00 0.00 H new ATOM 0 HA PHE A 58 13.318 3.029 -2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 58 14.610 0.356 -1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 58 13.626 0.525 -2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 58 14.205 2.405 -4.571 1.00 0.00 H new ATOM 0 HD2 PHE A 58 16.849 1.049 -1.554 1.00 0.00 H new ATOM 0 HE1 PHE A 58 16.083 3.317 -5.837 1.00 0.00 H new ATOM 0 HE2 PHE A 58 18.741 1.974 -2.813 1.00 0.00 H new ATOM 0 HZ PHE A 58 18.362 3.104 -4.963 1.00 0.00 H new ATOM 947 N ARG A 59 11.145 1.830 -2.489 1.00 0.00 N ATOM 948 CA ARG A 59 9.838 1.256 -2.650 1.00 0.00 C ATOM 949 C ARG A 59 9.664 0.699 -4.042 1.00 0.00 C ATOM 950 O ARG A 59 10.049 1.314 -5.027 1.00 0.00 O ATOM 951 CB ARG A 59 8.722 2.246 -2.330 1.00 0.00 C ATOM 952 CG ARG A 59 8.733 3.505 -3.149 1.00 0.00 C ATOM 953 CD ARG A 59 7.531 4.362 -2.844 1.00 0.00 C ATOM 954 NE ARG A 59 7.307 4.507 -1.396 1.00 0.00 N ATOM 955 CZ ARG A 59 6.210 5.030 -0.830 1.00 0.00 C ATOM 956 NH1 ARG A 59 5.264 5.594 -1.577 1.00 0.00 N ATOM 957 NH2 ARG A 59 6.084 4.992 0.480 1.00 0.00 N ATOM 0 H ARG A 59 11.398 2.520 -3.197 1.00 0.00 H new ATOM 0 HA ARG A 59 9.762 0.441 -1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.763 1.747 -2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.788 2.516 -1.276 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.645 4.067 -2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.744 3.253 -4.209 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.666 5.347 -3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.647 3.922 -3.305 1.00 0.00 H new ATOM 0 HE ARG A 59 8.047 4.183 -0.773 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.369 5.631 -2.591 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.433 5.989 -1.136 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.816 4.568 1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.255 5.386 0.924 1.00 0.00 H new ATOM 971 N LYS A 60 9.115 -0.454 -4.109 1.00 0.00 N ATOM 972 CA LYS A 60 8.816 -1.114 -5.347 1.00 0.00 C ATOM 973 C LYS A 60 7.333 -1.353 -5.357 1.00 0.00 C ATOM 974 O LYS A 60 6.784 -1.939 -4.434 1.00 0.00 O ATOM 975 CB LYS A 60 9.579 -2.436 -5.433 1.00 0.00 C ATOM 976 CG LYS A 60 9.283 -3.290 -6.646 1.00 0.00 C ATOM 977 CD LYS A 60 10.001 -2.813 -7.891 1.00 0.00 C ATOM 978 CE LYS A 60 11.505 -2.971 -7.755 1.00 0.00 C ATOM 979 NZ LYS A 60 12.162 -2.901 -9.069 1.00 0.00 N ATOM 0 H LYS A 60 8.848 -0.992 -3.285 1.00 0.00 H new ATOM 0 HA LYS A 60 9.116 -0.510 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.647 -2.219 -5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.359 -3.019 -4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.572 -4.320 -6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.209 -3.291 -6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.650 -3.378 -8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.758 -1.766 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.899 -2.190 -7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.733 -3.926 -7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.168 -2.672 -8.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.074 -3.819 -9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.709 -2.163 -9.645 1.00 0.00 H new ATOM 993 N GLN A 61 6.692 -0.872 -6.341 1.00 0.00 N ATOM 994 CA GLN A 61 5.278 -0.956 -6.408 1.00 0.00 C ATOM 995 C GLN A 61 4.849 -1.679 -7.645 1.00 0.00 C ATOM 996 O GLN A 61 5.594 -1.721 -8.631 1.00 0.00 O ATOM 997 CB GLN A 61 4.699 0.428 -6.278 1.00 0.00 C ATOM 998 CG GLN A 61 5.293 1.435 -7.213 1.00 0.00 C ATOM 999 CD GLN A 61 4.865 2.830 -6.883 1.00 0.00 C ATOM 1000 OE1 GLN A 61 3.862 3.332 -7.385 1.00 0.00 O ATOM 1001 NE2 GLN A 61 5.624 3.469 -6.032 1.00 0.00 N ATOM 0 H GLN A 61 7.128 -0.403 -7.135 1.00 0.00 H new ATOM 0 HA GLN A 61 4.889 -1.547 -5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 61 3.624 0.377 -6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.840 0.773 -5.254 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.380 1.370 -7.172 1.00 0.00 H new ATOM 0 HG3 GLN A 61 4.998 1.198 -8.235 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.448 3.012 -5.640 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.393 4.424 -5.760 1.00 0.00 H new ATOM 1010 N MET A 62 3.686 -2.273 -7.585 1.00 0.00 N ATOM 1011 CA MET A 62 3.191 -3.101 -8.664 1.00 0.00 C ATOM 1012 C MET A 62 1.773 -2.683 -8.925 1.00 0.00 C ATOM 1013 O MET A 62 1.154 -2.031 -8.060 1.00 0.00 O ATOM 1014 CB MET A 62 3.104 -4.582 -8.218 1.00 0.00 C ATOM 1015 CG MET A 62 4.219 -5.110 -7.324 1.00 0.00 C ATOM 1016 SD MET A 62 5.855 -5.109 -8.061 1.00 0.00 S ATOM 1017 CE MET A 62 6.762 -5.850 -6.708 1.00 0.00 C ATOM 0 H MET A 62 3.052 -2.199 -6.789 1.00 0.00 H new ATOM 0 HA MET A 62 3.851 -2.995 -9.525 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.158 -4.722 -7.695 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.068 -5.202 -9.114 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.248 -4.511 -6.414 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.973 -6.129 -7.027 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.694 -6.274 -7.083 1.00 0.00 H new ATOM 0 HE2 MET A 62 6.985 -5.090 -5.960 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.161 -6.639 -6.256 1.00 0.00 H new ATOM 1027 N ASP A 63 1.232 -3.051 -10.066 1.00 0.00 N ATOM 1028 CA ASP A 63 -0.189 -2.890 -10.268 1.00 0.00 C ATOM 1029 C ASP A 63 -0.861 -4.152 -9.775 1.00 0.00 C ATOM 1030 O ASP A 63 -1.165 -5.087 -10.520 1.00 0.00 O ATOM 1031 CB ASP A 63 -0.620 -2.498 -11.715 1.00 0.00 C ATOM 1032 CG ASP A 63 -0.253 -3.491 -12.795 1.00 0.00 C ATOM 1033 OD1 ASP A 63 0.909 -3.483 -13.253 1.00 0.00 O ATOM 1034 OD2 ASP A 63 -1.125 -4.271 -13.231 1.00 0.00 O ATOM 0 H ASP A 63 1.742 -3.455 -10.852 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.517 -2.024 -9.693 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.701 -2.357 -11.728 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.170 -1.536 -11.962 1.00 0.00 H new ATOM 1039 N ASP A 64 -0.954 -4.222 -8.485 1.00 0.00 N ATOM 1040 CA ASP A 64 -1.521 -5.338 -7.794 1.00 0.00 C ATOM 1041 C ASP A 64 -1.780 -4.897 -6.379 1.00 0.00 C ATOM 1042 O ASP A 64 -1.221 -3.884 -5.933 1.00 0.00 O ATOM 1043 CB ASP A 64 -0.549 -6.547 -7.822 1.00 0.00 C ATOM 1044 CG ASP A 64 -1.154 -7.802 -7.239 1.00 0.00 C ATOM 1045 OD1 ASP A 64 -2.384 -7.907 -7.184 1.00 0.00 O ATOM 1046 OD2 ASP A 64 -0.414 -8.720 -6.839 1.00 0.00 O ATOM 0 H ASP A 64 -0.628 -3.482 -7.864 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.447 -5.658 -8.272 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.247 -6.740 -8.851 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.354 -6.293 -7.267 1.00 0.00 H new ATOM 1051 N ILE A 65 -2.619 -5.596 -5.693 1.00 0.00 N ATOM 1052 CA ILE A 65 -2.920 -5.266 -4.339 1.00 0.00 C ATOM 1053 C ILE A 65 -2.143 -6.193 -3.431 1.00 0.00 C ATOM 1054 O ILE A 65 -1.523 -7.155 -3.906 1.00 0.00 O ATOM 1055 CB ILE A 65 -4.437 -5.328 -4.029 1.00 0.00 C ATOM 1056 CG1 ILE A 65 -4.983 -6.738 -4.264 1.00 0.00 C ATOM 1057 CG2 ILE A 65 -5.191 -4.286 -4.855 1.00 0.00 C ATOM 1058 CD1 ILE A 65 -6.464 -6.890 -3.990 1.00 0.00 C ATOM 0 H ILE A 65 -3.116 -6.411 -6.053 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.623 -4.232 -4.164 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.589 -5.093 -2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.786 -7.023 -5.298 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.435 -7.436 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.255 -4.341 -4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.819 -3.291 -4.612 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.037 -4.482 -5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.766 -7.920 -4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.669 -6.640 -2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.025 -6.220 -4.641 1.00 0.00 H new ATOM 1070 N SER A 66 -2.163 -5.915 -2.175 1.00 0.00 N ATOM 1071 CA SER A 66 -1.410 -6.668 -1.201 1.00 0.00 C ATOM 1072 C SER A 66 -1.805 -8.162 -1.150 1.00 0.00 C ATOM 1073 O SER A 66 -2.998 -8.511 -1.199 1.00 0.00 O ATOM 1074 CB SER A 66 -1.536 -5.996 0.138 1.00 0.00 C ATOM 1075 OG SER A 66 -2.883 -5.750 0.437 1.00 0.00 O ATOM 0 H SER A 66 -2.707 -5.149 -1.777 1.00 0.00 H new ATOM 0 HA SER A 66 -0.363 -6.671 -1.503 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.095 -6.625 0.911 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.981 -5.058 0.135 1.00 0.00 H new ATOM 0 HG SER A 66 -3.084 -4.803 0.287 1.00 0.00 H new ATOM 1081 N PRO A 67 -0.792 -9.055 -1.062 1.00 0.00 N ATOM 1082 CA PRO A 67 -0.985 -10.511 -1.087 1.00 0.00 C ATOM 1083 C PRO A 67 -1.898 -11.036 0.025 1.00 0.00 C ATOM 1084 O PRO A 67 -2.856 -11.768 -0.253 1.00 0.00 O ATOM 1085 CB PRO A 67 0.439 -11.078 -0.927 1.00 0.00 C ATOM 1086 CG PRO A 67 1.262 -9.954 -0.410 1.00 0.00 C ATOM 1087 CD PRO A 67 0.641 -8.703 -0.939 1.00 0.00 C ATOM 0 HA PRO A 67 -1.484 -10.816 -2.007 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.450 -11.921 -0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.826 -11.441 -1.879 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.275 -9.951 0.680 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.296 -10.045 -0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.791 -7.862 -0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.068 -8.418 -1.900 1.00 0.00 H new ATOM 1095 N LEU A 68 -1.632 -10.630 1.257 1.00 0.00 N ATOM 1096 CA LEU A 68 -2.374 -11.123 2.412 1.00 0.00 C ATOM 1097 C LEU A 68 -3.805 -10.603 2.356 1.00 0.00 C ATOM 1098 O LEU A 68 -4.750 -11.311 2.662 1.00 0.00 O ATOM 1099 CB LEU A 68 -1.669 -10.685 3.723 1.00 0.00 C ATOM 1100 CG LEU A 68 -1.930 -11.517 5.015 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -3.378 -11.461 5.486 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -1.517 -12.952 4.788 1.00 0.00 C ATOM 0 H LEU A 68 -0.902 -9.955 1.486 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.401 -12.213 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.595 -10.685 3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.958 -9.654 3.927 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.329 -11.069 5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.490 -12.061 6.389 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.651 -10.428 5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.030 -11.854 4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.701 -13.531 5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.096 -13.371 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.456 -12.991 4.542 1.00 0.00 H new ATOM 1114 N SER A 69 -3.968 -9.398 1.904 1.00 0.00 N ATOM 1115 CA SER A 69 -5.273 -8.811 1.812 1.00 0.00 C ATOM 1116 C SER A 69 -6.179 -9.552 0.821 1.00 0.00 C ATOM 1117 O SER A 69 -7.375 -9.419 0.888 1.00 0.00 O ATOM 1118 CB SER A 69 -5.185 -7.356 1.493 1.00 0.00 C ATOM 1119 OG SER A 69 -4.369 -6.687 2.430 1.00 0.00 O ATOM 0 H SER A 69 -3.207 -8.795 1.590 1.00 0.00 H new ATOM 0 HA SER A 69 -5.739 -8.913 2.792 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.780 -7.223 0.490 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.183 -6.918 1.494 1.00 0.00 H new ATOM 0 HG SER A 69 -3.658 -6.204 1.959 1.00 0.00 H new ATOM 1125 N LYS A 70 -5.598 -10.286 -0.133 1.00 0.00 N ATOM 1126 CA LYS A 70 -6.396 -11.109 -1.040 1.00 0.00 C ATOM 1127 C LYS A 70 -6.953 -12.336 -0.309 1.00 0.00 C ATOM 1128 O LYS A 70 -8.020 -12.825 -0.649 1.00 0.00 O ATOM 1129 CB LYS A 70 -5.564 -11.591 -2.218 1.00 0.00 C ATOM 1130 CG LYS A 70 -4.815 -10.498 -2.921 1.00 0.00 C ATOM 1131 CD LYS A 70 -4.071 -11.025 -4.117 1.00 0.00 C ATOM 1132 CE LYS A 70 -3.149 -9.968 -4.652 1.00 0.00 C ATOM 1133 NZ LYS A 70 -2.569 -10.347 -5.960 1.00 0.00 N ATOM 0 H LYS A 70 -4.592 -10.326 -0.294 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.215 -10.487 -1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.852 -12.338 -1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.219 -12.088 -2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.512 -9.722 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.113 -10.033 -2.229 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.500 -11.911 -3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.777 -11.329 -4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.695 -9.030 -4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.346 -9.792 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.548 -10.514 -5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.027 -11.215 -6.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.723 -9.579 -6.644 1.00 0.00 H new ATOM 1147 N VAL A 71 -6.224 -12.816 0.712 1.00 0.00 N ATOM 1148 CA VAL A 71 -6.636 -14.021 1.437 1.00 0.00 C ATOM 1149 C VAL A 71 -7.813 -13.674 2.331 1.00 0.00 C ATOM 1150 O VAL A 71 -8.721 -14.466 2.523 1.00 0.00 O ATOM 1151 CB VAL A 71 -5.464 -14.673 2.281 1.00 0.00 C ATOM 1152 CG1 VAL A 71 -4.159 -14.668 1.517 1.00 0.00 C ATOM 1153 CG2 VAL A 71 -5.297 -14.077 3.679 1.00 0.00 C ATOM 0 H VAL A 71 -5.359 -12.393 1.048 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.924 -14.772 0.701 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.763 -15.709 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.379 -15.123 2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.276 -15.236 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.881 -13.641 1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.475 -14.577 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.079 -13.012 3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.217 -14.217 4.246 1.00 0.00 H new ATOM 1163 N ASN A 72 -7.775 -12.479 2.861 1.00 0.00 N ATOM 1164 CA ASN A 72 -8.858 -11.973 3.670 1.00 0.00 C ATOM 1165 C ASN A 72 -9.961 -11.485 2.744 1.00 0.00 C ATOM 1166 O ASN A 72 -11.129 -11.860 2.892 1.00 0.00 O ATOM 1167 CB ASN A 72 -8.352 -10.854 4.584 1.00 0.00 C ATOM 1168 CG ASN A 72 -9.449 -10.255 5.441 1.00 0.00 C ATOM 1169 OD1 ASN A 72 -10.103 -9.291 5.057 1.00 0.00 O ATOM 1170 ND2 ASN A 72 -9.647 -10.811 6.613 1.00 0.00 N ATOM 0 H ASN A 72 -6.997 -11.830 2.746 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.256 -12.759 4.312 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.566 -11.246 5.230 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.903 -10.069 3.975 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.364 -10.442 7.238 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.084 -11.612 6.899 1.00 0.00 H new ATOM 1177 N GLY A 73 -9.545 -10.681 1.777 1.00 0.00 N ATOM 1178 CA GLY A 73 -10.386 -10.196 0.712 1.00 0.00 C ATOM 1179 C GLY A 73 -11.536 -9.348 1.163 1.00 0.00 C ATOM 1180 O GLY A 73 -12.626 -9.740 0.981 1.00 0.00 O ATOM 0 H GLY A 73 -8.585 -10.343 1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.775 -9.618 0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -10.776 -11.049 0.157 1.00 0.00 H new ATOM 1184 N TYR A 74 -11.269 -8.144 1.674 1.00 0.00 N ATOM 1185 CA TYR A 74 -12.288 -7.259 2.205 1.00 0.00 C ATOM 1186 C TYR A 74 -11.885 -5.823 1.988 1.00 0.00 C ATOM 1187 O TYR A 74 -10.689 -5.472 1.976 1.00 0.00 O ATOM 1188 CB TYR A 74 -12.518 -7.504 3.722 1.00 0.00 C ATOM 1189 CG TYR A 74 -13.666 -8.444 4.068 1.00 0.00 C ATOM 1190 CD1 TYR A 74 -13.658 -9.775 3.693 1.00 0.00 C ATOM 1191 CD2 TYR A 74 -14.768 -7.976 4.757 1.00 0.00 C ATOM 1192 CE1 TYR A 74 -14.706 -10.611 3.987 1.00 0.00 C ATOM 1193 CE2 TYR A 74 -15.825 -8.805 5.059 1.00 0.00 C ATOM 1194 CZ TYR A 74 -15.791 -10.120 4.667 1.00 0.00 C ATOM 1195 OH TYR A 74 -16.844 -10.948 4.961 1.00 0.00 O ATOM 0 H TYR A 74 -10.326 -7.759 1.728 1.00 0.00 H new ATOM 0 HA TYR A 74 -13.218 -7.468 1.677 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -11.600 -7.907 4.150 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -12.700 -6.543 4.204 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.807 -10.166 3.156 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -14.801 -6.941 5.064 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -14.676 -11.648 3.685 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -16.677 -8.422 5.602 1.00 0.00 H new ATOM 0 HH TYR A 74 -17.530 -10.445 5.447 1.00 0.00 H new ATOM 1205 N ILE A 75 -12.862 -5.042 1.734 1.00 0.00 N ATOM 1206 CA ILE A 75 -12.766 -3.618 1.630 1.00 0.00 C ATOM 1207 C ILE A 75 -13.630 -3.108 2.739 1.00 0.00 C ATOM 1208 O ILE A 75 -14.693 -3.683 2.996 1.00 0.00 O ATOM 1209 CB ILE A 75 -13.261 -3.136 0.247 1.00 0.00 C ATOM 1210 CG1 ILE A 75 -12.225 -3.476 -0.813 1.00 0.00 C ATOM 1211 CG2 ILE A 75 -13.615 -1.621 0.210 1.00 0.00 C ATOM 1212 CD1 ILE A 75 -12.697 -3.274 -2.237 1.00 0.00 C ATOM 0 H ILE A 75 -13.810 -5.387 1.582 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.742 -3.255 1.715 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.192 -3.663 0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.339 -2.864 -0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.922 -4.516 -0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -13.955 -1.351 -0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -14.406 -1.415 0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.732 -1.035 0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.896 -3.540 -2.927 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -13.564 -3.907 -2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -12.971 -2.229 -2.385 1.00 0.00 H new ATOM 1224 N GLY A 76 -13.206 -2.080 3.377 1.00 0.00 N ATOM 1225 CA GLY A 76 -13.839 -1.675 4.566 1.00 0.00 C ATOM 1226 C GLY A 76 -14.325 -0.270 4.536 1.00 0.00 C ATOM 1227 O GLY A 76 -13.561 0.684 4.765 1.00 0.00 O ATOM 0 H GLY A 76 -12.416 -1.503 3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.682 -2.338 4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.142 -1.791 5.396 1.00 0.00 H new ATOM 1231 N VAL A 77 -15.571 -0.116 4.276 1.00 0.00 N ATOM 1232 CA VAL A 77 -16.136 1.172 4.285 1.00 0.00 C ATOM 1233 C VAL A 77 -16.980 1.312 5.498 1.00 0.00 C ATOM 1234 O VAL A 77 -17.828 0.477 5.781 1.00 0.00 O ATOM 1235 CB VAL A 77 -16.914 1.504 3.005 1.00 0.00 C ATOM 1236 CG1 VAL A 77 -17.532 2.903 3.048 1.00 0.00 C ATOM 1237 CG2 VAL A 77 -16.019 1.344 1.788 1.00 0.00 C ATOM 0 H VAL A 77 -16.218 -0.873 4.054 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.325 1.900 4.313 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.740 0.797 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -18.072 3.091 2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -18.222 2.970 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -16.743 3.646 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -16.584 1.583 0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -15.167 2.019 1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -15.663 0.315 1.731 1.00 0.00 H new ATOM 1247 N SER A 78 -16.714 2.333 6.233 1.00 0.00 N ATOM 1248 CA SER A 78 -17.401 2.564 7.440 1.00 0.00 C ATOM 1249 C SER A 78 -18.506 3.565 7.188 1.00 0.00 C ATOM 1250 O SER A 78 -18.514 4.210 6.137 1.00 0.00 O ATOM 1251 CB SER A 78 -16.430 3.052 8.488 1.00 0.00 C ATOM 1252 OG SER A 78 -15.381 2.114 8.680 1.00 0.00 O ATOM 0 H SER A 78 -16.007 3.033 6.006 1.00 0.00 H new ATOM 0 HA SER A 78 -17.850 1.642 7.810 1.00 0.00 H new ATOM 0 HB2 SER A 78 -16.014 4.013 8.185 1.00 0.00 H new ATOM 0 HB3 SER A 78 -16.955 3.215 9.429 1.00 0.00 H new ATOM 0 HG SER A 78 -14.762 2.450 9.362 1.00 0.00 H new ATOM 1258 N ASP A 79 -19.391 3.706 8.158 1.00 0.00 N ATOM 1259 CA ASP A 79 -20.606 4.523 8.104 1.00 0.00 C ATOM 1260 C ASP A 79 -20.381 5.956 7.623 1.00 0.00 C ATOM 1261 O ASP A 79 -21.250 6.546 7.009 1.00 0.00 O ATOM 1262 CB ASP A 79 -21.268 4.519 9.476 1.00 0.00 C ATOM 1263 CG ASP A 79 -21.774 3.148 9.884 1.00 0.00 C ATOM 1264 OD1 ASP A 79 -20.944 2.263 10.210 1.00 0.00 O ATOM 1265 OD2 ASP A 79 -23.009 2.928 9.903 1.00 0.00 O ATOM 0 H ASP A 79 -19.283 3.232 9.055 1.00 0.00 H new ATOM 0 HA ASP A 79 -21.257 4.070 7.356 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -20.554 4.873 10.219 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -22.101 5.222 9.474 1.00 0.00 H new ATOM 1270 N ASN A 80 -19.213 6.509 7.879 1.00 0.00 N ATOM 1271 CA ASN A 80 -18.904 7.866 7.416 1.00 0.00 C ATOM 1272 C ASN A 80 -18.321 7.869 6.000 1.00 0.00 C ATOM 1273 O ASN A 80 -17.770 8.868 5.545 1.00 0.00 O ATOM 1274 CB ASN A 80 -17.965 8.589 8.386 1.00 0.00 C ATOM 1275 CG ASN A 80 -18.639 8.966 9.692 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -19.242 10.034 9.809 1.00 0.00 O ATOM 1277 ND2 ASN A 80 -18.521 8.125 10.678 1.00 0.00 N ATOM 0 H ASN A 80 -18.463 6.054 8.399 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.848 8.410 7.387 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -17.107 7.950 8.597 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -17.581 9.490 7.908 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -18.935 8.341 11.585 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -18.014 7.250 10.544 1.00 0.00 H new ATOM 1284 N GLY A 81 -18.462 6.751 5.314 1.00 0.00 N ATOM 1285 CA GLY A 81 -17.993 6.599 3.969 1.00 0.00 C ATOM 1286 C GLY A 81 -16.521 6.444 3.923 1.00 0.00 C ATOM 1287 O GLY A 81 -15.880 6.887 2.993 1.00 0.00 O ATOM 0 H GLY A 81 -18.913 5.917 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -18.466 5.729 3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -18.287 7.467 3.379 1.00 0.00 H new ATOM 1291 N VAL A 82 -15.988 5.837 4.940 1.00 0.00 N ATOM 1292 CA VAL A 82 -14.563 5.638 5.041 1.00 0.00 C ATOM 1293 C VAL A 82 -14.152 4.553 4.054 1.00 0.00 C ATOM 1294 O VAL A 82 -14.461 3.417 4.250 1.00 0.00 O ATOM 1295 CB VAL A 82 -14.158 5.241 6.476 1.00 0.00 C ATOM 1296 CG1 VAL A 82 -12.651 5.273 6.639 1.00 0.00 C ATOM 1297 CG2 VAL A 82 -14.827 6.152 7.489 1.00 0.00 C ATOM 0 H VAL A 82 -16.522 5.464 5.725 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.052 6.571 4.803 1.00 0.00 H new ATOM 0 HB VAL A 82 -14.496 4.220 6.656 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.389 4.990 7.658 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.194 4.573 5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.284 6.279 6.437 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -14.530 5.857 8.495 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -14.523 7.183 7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -15.910 6.071 7.392 1.00 0.00 H new ATOM 1307 N ILE A 83 -13.437 4.945 3.035 1.00 0.00 N ATOM 1308 CA ILE A 83 -13.034 4.107 1.870 1.00 0.00 C ATOM 1309 C ILE A 83 -11.816 3.255 2.152 1.00 0.00 C ATOM 1310 O ILE A 83 -10.891 3.155 1.363 1.00 0.00 O ATOM 1311 CB ILE A 83 -12.926 4.871 0.514 1.00 0.00 C ATOM 1312 CG1 ILE A 83 -14.179 5.721 0.320 1.00 0.00 C ATOM 1313 CG2 ILE A 83 -12.818 3.855 -0.659 1.00 0.00 C ATOM 1314 CD1 ILE A 83 -15.460 4.920 0.408 1.00 0.00 C ATOM 0 H ILE A 83 -13.087 5.901 2.963 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.875 3.427 1.732 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.039 5.504 0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -14.197 6.508 1.074 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -14.131 6.212 -0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.743 4.395 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.931 3.236 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -13.704 3.221 -0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -16.314 5.582 0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.461 4.150 -0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -15.529 4.451 1.389 1.00 0.00 H new ATOM 1326 N SER A 84 -11.746 2.770 3.308 1.00 0.00 N ATOM 1327 CA SER A 84 -10.562 2.132 3.743 1.00 0.00 C ATOM 1328 C SER A 84 -10.623 0.643 3.452 1.00 0.00 C ATOM 1329 O SER A 84 -11.622 0.133 2.969 1.00 0.00 O ATOM 1330 CB SER A 84 -10.469 2.378 5.227 1.00 0.00 C ATOM 1331 OG SER A 84 -11.747 2.277 5.828 1.00 0.00 O ATOM 0 H SER A 84 -12.500 2.795 3.994 1.00 0.00 H new ATOM 0 HA SER A 84 -9.688 2.524 3.223 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.790 1.655 5.679 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.051 3.367 5.412 1.00 0.00 H new ATOM 0 HG SER A 84 -12.188 1.457 5.523 1.00 0.00 H new ATOM 1337 N THR A 85 -9.544 -0.022 3.613 1.00 0.00 N ATOM 1338 CA THR A 85 -9.564 -1.424 3.537 1.00 0.00 C ATOM 1339 C THR A 85 -9.321 -1.975 4.918 1.00 0.00 C ATOM 1340 O THR A 85 -8.568 -1.377 5.721 1.00 0.00 O ATOM 1341 CB THR A 85 -8.570 -1.989 2.487 1.00 0.00 C ATOM 1342 OG1 THR A 85 -7.250 -1.499 2.717 1.00 0.00 O ATOM 1343 CG2 THR A 85 -9.016 -1.621 1.078 1.00 0.00 C ATOM 0 H THR A 85 -8.630 0.389 3.800 1.00 0.00 H new ATOM 0 HA THR A 85 -10.543 -1.747 3.184 1.00 0.00 H new ATOM 0 HB THR A 85 -8.561 -3.074 2.587 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.869 -1.176 1.874 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.308 -2.025 0.355 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.005 -2.038 0.889 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.055 -0.536 0.980 1.00 0.00 H new ATOM 1351 N PHE A 86 -9.999 -3.034 5.232 1.00 0.00 N ATOM 1352 CA PHE A 86 -9.892 -3.650 6.519 1.00 0.00 C ATOM 1353 C PHE A 86 -9.637 -5.102 6.338 1.00 0.00 C ATOM 1354 O PHE A 86 -9.868 -5.648 5.257 1.00 0.00 O ATOM 1355 CB PHE A 86 -11.196 -3.529 7.333 1.00 0.00 C ATOM 1356 CG PHE A 86 -11.477 -2.218 8.003 1.00 0.00 C ATOM 1357 CD1 PHE A 86 -11.513 -1.044 7.299 1.00 0.00 C ATOM 1358 CD2 PHE A 86 -11.767 -2.192 9.355 1.00 0.00 C ATOM 1359 CE1 PHE A 86 -11.831 0.141 7.930 1.00 0.00 C ATOM 1360 CE2 PHE A 86 -12.076 -1.013 9.993 1.00 0.00 C ATOM 1361 CZ PHE A 86 -12.110 0.158 9.279 1.00 0.00 C ATOM 0 H PHE A 86 -10.648 -3.500 4.598 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.085 -3.145 7.051 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -12.030 -3.751 6.667 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.186 -4.303 8.100 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -11.291 -1.046 6.242 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.751 -3.113 9.919 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -11.861 1.060 7.363 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -12.291 -1.009 11.051 1.00 0.00 H new ATOM 0 HZ PHE A 86 -12.354 1.088 9.772 1.00 0.00 H new ATOM 1371 N HIS A 87 -9.165 -5.714 7.372 1.00 0.00 N ATOM 1372 CA HIS A 87 -9.057 -7.133 7.415 1.00 0.00 C ATOM 1373 C HIS A 87 -10.281 -7.676 8.159 1.00 0.00 C ATOM 1374 O HIS A 87 -10.357 -7.657 9.394 1.00 0.00 O ATOM 1375 CB HIS A 87 -7.701 -7.580 8.047 1.00 0.00 C ATOM 1376 CG HIS A 87 -7.262 -6.806 9.286 1.00 0.00 C ATOM 1377 ND1 HIS A 87 -6.260 -5.858 9.277 1.00 0.00 N ATOM 1378 CD2 HIS A 87 -7.696 -6.865 10.566 1.00 0.00 C ATOM 1379 CE1 HIS A 87 -6.121 -5.382 10.510 1.00 0.00 C ATOM 1380 NE2 HIS A 87 -6.974 -5.964 11.342 1.00 0.00 N ATOM 0 H HIS A 87 -8.842 -5.241 8.216 1.00 0.00 H new ATOM 0 HA HIS A 87 -9.049 -7.550 6.408 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.773 -8.636 8.307 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.922 -7.491 7.290 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -5.718 -5.571 8.462 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -8.481 -7.511 10.929 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.408 -4.623 10.796 1.00 0.00 H new ATOM 1388 N GLY A 88 -11.227 -8.152 7.407 1.00 0.00 N ATOM 1389 CA GLY A 88 -12.477 -8.589 7.967 1.00 0.00 C ATOM 1390 C GLY A 88 -13.497 -7.462 7.961 1.00 0.00 C ATOM 1391 O GLY A 88 -13.277 -6.441 7.301 1.00 0.00 O ATOM 0 H GLY A 88 -11.159 -8.249 6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.860 -9.435 7.396 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.321 -8.938 8.988 1.00 0.00 H new ATOM 1395 N ARG A 89 -14.601 -7.664 8.679 1.00 0.00 N ATOM 1396 CA ARG A 89 -15.700 -6.680 8.805 1.00 0.00 C ATOM 1397 C ARG A 89 -15.194 -5.257 9.128 1.00 0.00 C ATOM 1398 O ARG A 89 -14.356 -5.069 10.025 1.00 0.00 O ATOM 1399 CB ARG A 89 -16.668 -7.109 9.912 1.00 0.00 C ATOM 1400 CG ARG A 89 -17.420 -8.406 9.652 1.00 0.00 C ATOM 1401 CD ARG A 89 -18.518 -8.259 8.599 1.00 0.00 C ATOM 1402 NE ARG A 89 -19.118 -9.561 8.295 1.00 0.00 N ATOM 1403 CZ ARG A 89 -20.357 -9.968 8.626 1.00 0.00 C ATOM 1404 NH1 ARG A 89 -21.199 -9.162 9.286 1.00 0.00 N ATOM 1405 NH2 ARG A 89 -20.746 -11.190 8.286 1.00 0.00 N ATOM 0 H ARG A 89 -14.769 -8.524 9.201 1.00 0.00 H new ATOM 0 HA ARG A 89 -16.201 -6.653 7.837 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.108 -7.213 10.841 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -17.395 -6.311 10.065 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -16.714 -9.170 9.328 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -17.863 -8.756 10.584 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -19.286 -7.574 8.959 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -18.102 -7.823 7.691 1.00 0.00 H new ATOM 0 HE ARG A 89 -18.539 -10.225 7.781 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -20.905 -8.221 9.547 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -22.134 -9.489 9.528 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -20.109 -11.806 7.781 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -21.682 -11.513 8.530 1.00 0.00 H new ATOM 1419 N PRO A 90 -15.687 -4.254 8.396 1.00 0.00 N ATOM 1420 CA PRO A 90 -15.339 -2.864 8.620 1.00 0.00 C ATOM 1421 C PRO A 90 -16.158 -2.239 9.741 1.00 0.00 C ATOM 1422 O PRO A 90 -17.297 -1.796 9.544 1.00 0.00 O ATOM 1423 CB PRO A 90 -15.653 -2.178 7.304 1.00 0.00 C ATOM 1424 CG PRO A 90 -16.542 -3.113 6.537 1.00 0.00 C ATOM 1425 CD PRO A 90 -16.613 -4.409 7.281 1.00 0.00 C ATOM 0 HA PRO A 90 -14.297 -2.763 8.922 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.149 -1.222 7.473 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -14.739 -1.968 6.748 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -17.538 -2.684 6.425 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.149 -3.273 5.533 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -17.625 -4.607 7.633 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -16.327 -5.246 6.644 1.00 0.00 H new ATOM 1433 N GLU A 91 -15.622 -2.286 10.909 1.00 0.00 N ATOM 1434 CA GLU A 91 -16.256 -1.732 12.066 1.00 0.00 C ATOM 1435 C GLU A 91 -15.174 -1.082 12.934 1.00 0.00 C ATOM 1436 O GLU A 91 -13.998 -1.354 12.714 1.00 0.00 O ATOM 1437 CB GLU A 91 -17.029 -2.843 12.796 1.00 0.00 C ATOM 1438 CG GLU A 91 -16.183 -4.006 13.246 1.00 0.00 C ATOM 1439 CD GLU A 91 -17.001 -5.038 13.944 1.00 0.00 C ATOM 1440 OE1 GLU A 91 -17.633 -5.873 13.276 1.00 0.00 O ATOM 1441 OE2 GLU A 91 -17.038 -5.035 15.184 1.00 0.00 O ATOM 0 H GLU A 91 -14.716 -2.716 11.097 1.00 0.00 H new ATOM 0 HA GLU A 91 -16.982 -0.962 11.805 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -17.523 -2.412 13.667 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -17.813 -3.215 12.137 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.689 -4.454 12.383 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.398 -3.650 13.913 1.00 0.00 H new ATOM 1448 N PRO A 92 -15.527 -0.240 13.932 1.00 0.00 N ATOM 1449 CA PRO A 92 -14.537 0.438 14.788 1.00 0.00 C ATOM 1450 C PRO A 92 -13.819 -0.533 15.713 1.00 0.00 C ATOM 1451 O PRO A 92 -12.781 -0.215 16.290 1.00 0.00 O ATOM 1452 CB PRO A 92 -15.364 1.421 15.605 1.00 0.00 C ATOM 1453 CG PRO A 92 -16.753 0.894 15.572 1.00 0.00 C ATOM 1454 CD PRO A 92 -16.897 0.141 14.286 1.00 0.00 C ATOM 0 HA PRO A 92 -13.756 0.914 14.195 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -14.994 1.490 16.628 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.314 2.424 15.180 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.940 0.242 16.425 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -17.477 1.707 15.628 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -17.534 -0.735 14.408 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.350 0.760 13.512 1.00 0.00 H new ATOM 1462 N ALA A 93 -14.382 -1.720 15.845 1.00 0.00 N ATOM 1463 CA ALA A 93 -13.774 -2.773 16.627 1.00 0.00 C ATOM 1464 C ALA A 93 -12.865 -3.615 15.734 1.00 0.00 C ATOM 1465 O ALA A 93 -12.357 -4.669 16.129 1.00 0.00 O ATOM 1466 CB ALA A 93 -14.838 -3.622 17.288 1.00 0.00 C ATOM 0 H ALA A 93 -15.270 -1.978 15.414 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.167 -2.332 17.418 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.363 -4.410 17.873 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.445 -2.999 17.944 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.473 -4.070 16.524 1.00 0.00 H new ATOM 1472 N SER A 94 -12.692 -3.154 14.528 1.00 0.00 N ATOM 1473 CA SER A 94 -11.804 -3.757 13.589 1.00 0.00 C ATOM 1474 C SER A 94 -10.759 -2.709 13.237 1.00 0.00 C ATOM 1475 O SER A 94 -10.994 -1.511 13.417 1.00 0.00 O ATOM 1476 CB SER A 94 -12.590 -4.187 12.359 1.00 0.00 C ATOM 1477 OG SER A 94 -11.820 -4.945 11.443 1.00 0.00 O ATOM 0 H SER A 94 -13.176 -2.332 14.168 1.00 0.00 H new ATOM 0 HA SER A 94 -11.320 -4.644 13.997 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.452 -4.775 12.674 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.976 -3.301 11.854 1.00 0.00 H new ATOM 0 HG SER A 94 -12.383 -5.215 10.688 1.00 0.00 H new ATOM 1483 N GLU A 95 -9.645 -3.132 12.727 1.00 0.00 N ATOM 1484 CA GLU A 95 -8.538 -2.229 12.491 1.00 0.00 C ATOM 1485 C GLU A 95 -8.437 -1.817 11.026 1.00 0.00 C ATOM 1486 O GLU A 95 -8.350 -2.677 10.135 1.00 0.00 O ATOM 1487 CB GLU A 95 -7.221 -2.852 12.958 1.00 0.00 C ATOM 1488 CG GLU A 95 -7.177 -3.171 14.443 1.00 0.00 C ATOM 1489 CD GLU A 95 -5.852 -3.752 14.859 1.00 0.00 C ATOM 1490 OE1 GLU A 95 -4.907 -2.973 15.105 1.00 0.00 O ATOM 1491 OE2 GLU A 95 -5.725 -4.992 14.935 1.00 0.00 O ATOM 0 H GLU A 95 -9.468 -4.101 12.461 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.730 -1.328 13.074 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.046 -3.769 12.395 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.404 -2.170 12.720 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.369 -2.263 15.014 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.973 -3.875 14.686 1.00 0.00 H new ATOM 1498 N PRO A 96 -8.485 -0.501 10.748 1.00 0.00 N ATOM 1499 CA PRO A 96 -8.301 0.017 9.406 1.00 0.00 C ATOM 1500 C PRO A 96 -6.829 -0.025 9.001 1.00 0.00 C ATOM 1501 O PRO A 96 -5.934 0.365 9.773 1.00 0.00 O ATOM 1502 CB PRO A 96 -8.787 1.465 9.490 1.00 0.00 C ATOM 1503 CG PRO A 96 -8.670 1.844 10.924 1.00 0.00 C ATOM 1504 CD PRO A 96 -8.757 0.573 11.728 1.00 0.00 C ATOM 0 HA PRO A 96 -8.841 -0.568 8.662 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -8.182 2.118 8.861 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.817 1.553 9.144 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.725 2.354 11.111 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.466 2.533 11.206 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.029 0.565 12.539 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.741 0.457 12.182 1.00 0.00 H new ATOM 1512 N ILE A 97 -6.584 -0.489 7.807 1.00 0.00 N ATOM 1513 CA ILE A 97 -5.233 -0.607 7.275 1.00 0.00 C ATOM 1514 C ILE A 97 -4.716 0.784 6.882 1.00 0.00 C ATOM 1515 O ILE A 97 -3.534 1.095 7.029 1.00 0.00 O ATOM 1516 CB ILE A 97 -5.245 -1.549 6.044 1.00 0.00 C ATOM 1517 CG1 ILE A 97 -5.836 -2.911 6.441 1.00 0.00 C ATOM 1518 CG2 ILE A 97 -3.840 -1.712 5.446 1.00 0.00 C ATOM 1519 CD1 ILE A 97 -6.143 -3.816 5.271 1.00 0.00 C ATOM 0 H ILE A 97 -7.312 -0.800 7.164 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.571 -1.027 8.033 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.871 -1.101 5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.136 -3.419 7.105 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.752 -2.746 7.009 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.886 -2.379 4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.463 -0.739 5.131 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.172 -2.134 6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.556 -4.756 5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.867 -3.331 4.616 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.227 -4.015 4.714 1.00 0.00 H new ATOM 1531 N GLN A 98 -5.629 1.596 6.409 1.00 0.00 N ATOM 1532 CA GLN A 98 -5.387 2.960 5.995 1.00 0.00 C ATOM 1533 C GLN A 98 -6.777 3.538 5.823 1.00 0.00 C ATOM 1534 O GLN A 98 -7.735 2.855 6.163 1.00 0.00 O ATOM 1535 CB GLN A 98 -4.615 3.009 4.622 1.00 0.00 C ATOM 1536 CG GLN A 98 -5.497 2.883 3.357 1.00 0.00 C ATOM 1537 CD GLN A 98 -6.307 1.602 3.268 1.00 0.00 C ATOM 1538 OE1 GLN A 98 -7.412 1.603 2.774 1.00 0.00 O ATOM 1539 NE2 GLN A 98 -5.751 0.516 3.686 1.00 0.00 N ATOM 0 H GLN A 98 -6.603 1.314 6.296 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.775 3.506 6.713 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.065 3.948 4.568 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.878 2.206 4.611 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.181 3.731 3.322 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.857 2.953 2.477 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.818 0.546 4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.244 -0.373 3.605 1.00 0.00 H new ATOM 1548 N SER A 99 -6.902 4.742 5.337 1.00 0.00 N ATOM 1549 CA SER A 99 -8.177 5.261 4.936 1.00 0.00 C ATOM 1550 C SER A 99 -8.002 6.198 3.747 1.00 0.00 C ATOM 1551 O SER A 99 -7.126 7.062 3.762 1.00 0.00 O ATOM 1552 CB SER A 99 -8.912 5.911 6.114 1.00 0.00 C ATOM 1553 OG SER A 99 -8.056 6.775 6.831 1.00 0.00 O ATOM 0 H SER A 99 -6.124 5.389 5.209 1.00 0.00 H new ATOM 0 HA SER A 99 -8.814 4.439 4.611 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.773 6.469 5.746 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.294 5.137 6.780 1.00 0.00 H new ATOM 0 HG SER A 99 -8.548 7.179 7.576 1.00 0.00 H new ATOM 1559 N PHE A 100 -8.768 5.981 2.693 1.00 0.00 N ATOM 1560 CA PHE A 100 -8.681 6.835 1.528 1.00 0.00 C ATOM 1561 C PHE A 100 -9.519 8.094 1.691 1.00 0.00 C ATOM 1562 O PHE A 100 -8.972 9.174 1.858 1.00 0.00 O ATOM 1563 CB PHE A 100 -9.023 6.081 0.234 1.00 0.00 C ATOM 1564 CG PHE A 100 -7.985 5.059 -0.159 1.00 0.00 C ATOM 1565 CD1 PHE A 100 -6.899 5.429 -0.930 1.00 0.00 C ATOM 1566 CD2 PHE A 100 -8.091 3.741 0.243 1.00 0.00 C ATOM 1567 CE1 PHE A 100 -5.940 4.501 -1.290 1.00 0.00 C ATOM 1568 CE2 PHE A 100 -7.138 2.811 -0.115 1.00 0.00 C ATOM 1569 CZ PHE A 100 -6.062 3.192 -0.880 1.00 0.00 C ATOM 0 H PHE A 100 -9.451 5.227 2.622 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.641 7.151 1.441 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -9.984 5.582 0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -9.138 6.800 -0.577 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -6.799 6.454 -1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.933 3.435 0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -5.096 4.802 -1.892 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -7.237 1.784 0.205 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.313 2.466 -1.159 1.00 0.00 H new ATOM 1579 N PHE A 101 -10.836 7.960 1.673 1.00 0.00 N ATOM 1580 CA PHE A 101 -11.708 9.124 1.818 1.00 0.00 C ATOM 1581 C PHE A 101 -12.811 8.817 2.770 1.00 0.00 C ATOM 1582 O PHE A 101 -12.917 7.693 3.282 1.00 0.00 O ATOM 1583 CB PHE A 101 -12.395 9.507 0.488 1.00 0.00 C ATOM 1584 CG PHE A 101 -11.496 9.735 -0.659 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -10.573 10.755 -0.636 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -11.565 8.911 -1.753 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -9.721 10.959 -1.702 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -10.717 9.097 -2.826 1.00 0.00 C ATOM 1589 CZ PHE A 101 -9.791 10.125 -2.803 1.00 0.00 C ATOM 0 H PHE A 101 -11.323 7.071 1.561 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.072 9.939 2.164 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -13.097 8.716 0.223 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -12.981 10.412 0.651 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.515 11.403 0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -12.289 8.110 -1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.003 11.766 -1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -10.776 8.441 -3.682 1.00 0.00 H new ATOM 0 HZ PHE A 101 -9.126 10.275 -3.641 1.00 0.00 H new ATOM 1599 N GLN A 102 -13.612 9.815 2.999 1.00 0.00 N ATOM 1600 CA GLN A 102 -14.865 9.689 3.676 1.00 0.00 C ATOM 1601 C GLN A 102 -15.911 10.267 2.781 1.00 0.00 C ATOM 1602 O GLN A 102 -15.843 11.436 2.409 1.00 0.00 O ATOM 1603 CB GLN A 102 -14.864 10.345 5.042 1.00 0.00 C ATOM 1604 CG GLN A 102 -14.293 9.449 6.116 1.00 0.00 C ATOM 1605 CD GLN A 102 -14.245 10.088 7.485 1.00 0.00 C ATOM 1606 OE1 GLN A 102 -13.372 9.778 8.291 1.00 0.00 O ATOM 1607 NE2 GLN A 102 -15.174 10.961 7.770 1.00 0.00 N ATOM 0 H GLN A 102 -13.402 10.770 2.709 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.069 8.637 3.875 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -14.285 11.267 4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -15.884 10.622 5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -14.890 8.539 6.171 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -13.284 9.152 5.829 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -15.884 11.195 7.076 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -15.189 11.409 8.686 1.00 0.00 H new ATOM 1616 N ILE A 103 -16.846 9.452 2.414 1.00 0.00 N ATOM 1617 CA ILE A 103 -17.836 9.829 1.437 1.00 0.00 C ATOM 1618 C ILE A 103 -19.241 9.711 2.023 1.00 0.00 C ATOM 1619 O ILE A 103 -19.454 8.986 3.017 1.00 0.00 O ATOM 1620 CB ILE A 103 -17.713 8.962 0.123 1.00 0.00 C ATOM 1621 CG1 ILE A 103 -18.207 7.535 0.358 1.00 0.00 C ATOM 1622 CG2 ILE A 103 -16.243 8.924 -0.356 1.00 0.00 C ATOM 1623 CD1 ILE A 103 -18.230 6.697 -0.896 1.00 0.00 C ATOM 0 H ILE A 103 -16.952 8.505 2.778 1.00 0.00 H new ATOM 0 HA ILE A 103 -17.654 10.869 1.168 1.00 0.00 H new ATOM 0 HB ILE A 103 -18.335 9.425 -0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -17.566 7.053 1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -19.211 7.571 0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -16.171 8.323 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -15.902 9.938 -0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -15.618 8.484 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -18.590 5.696 -0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -18.893 7.157 -1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -17.223 6.632 -1.308 1.00 0.00 H new ATOM 1635 N ASP A 104 -20.178 10.433 1.445 1.00 0.00 N ATOM 1636 CA ASP A 104 -21.556 10.391 1.870 1.00 0.00 C ATOM 1637 C ASP A 104 -22.213 9.107 1.454 1.00 0.00 C ATOM 1638 O ASP A 104 -22.539 8.894 0.265 1.00 0.00 O ATOM 1639 CB ASP A 104 -22.369 11.581 1.335 1.00 0.00 C ATOM 1640 CG ASP A 104 -22.324 12.810 2.221 1.00 0.00 C ATOM 1641 OD1 ASP A 104 -21.303 13.503 2.275 1.00 0.00 O ATOM 1642 OD2 ASP A 104 -23.345 13.114 2.889 1.00 0.00 O ATOM 0 H ASP A 104 -20.002 11.066 0.665 1.00 0.00 H new ATOM 0 HA ASP A 104 -21.543 10.453 2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -21.997 11.846 0.345 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -23.407 11.272 1.213 1.00 0.00 H new ATOM 1647 N LEU A 105 -22.437 8.240 2.401 1.00 0.00 N ATOM 1648 CA LEU A 105 -23.077 6.995 2.097 1.00 0.00 C ATOM 1649 C LEU A 105 -24.499 7.218 1.686 1.00 0.00 C ATOM 1650 O LEU A 105 -25.030 6.507 0.852 1.00 0.00 O ATOM 1651 CB LEU A 105 -22.990 5.981 3.215 1.00 0.00 C ATOM 1652 CG LEU A 105 -21.618 5.392 3.524 1.00 0.00 C ATOM 1653 CD1 LEU A 105 -21.797 4.163 4.376 1.00 0.00 C ATOM 1654 CD2 LEU A 105 -20.841 5.056 2.249 1.00 0.00 C ATOM 0 H LEU A 105 -22.188 8.372 3.381 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.526 6.566 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -23.368 6.449 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.664 5.158 2.976 1.00 0.00 H new ATOM 0 HG LEU A 105 -21.032 6.136 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -20.822 3.733 4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -22.300 4.434 5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -22.399 3.432 3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -19.869 4.639 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -21.401 4.327 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -20.698 5.962 1.660 1.00 0.00 H new ATOM 1666 N GLU A 106 -25.089 8.239 2.229 1.00 0.00 N ATOM 1667 CA GLU A 106 -26.435 8.625 1.881 1.00 0.00 C ATOM 1668 C GLU A 106 -26.505 9.158 0.434 1.00 0.00 C ATOM 1669 O GLU A 106 -27.587 9.263 -0.141 1.00 0.00 O ATOM 1670 CB GLU A 106 -26.943 9.657 2.877 1.00 0.00 C ATOM 1671 CG GLU A 106 -25.997 10.823 3.062 1.00 0.00 C ATOM 1672 CD GLU A 106 -26.503 11.836 4.037 1.00 0.00 C ATOM 1673 OE1 GLU A 106 -26.191 11.726 5.234 1.00 0.00 O ATOM 1674 OE2 GLU A 106 -27.177 12.790 3.627 1.00 0.00 O ATOM 0 H GLU A 106 -24.653 8.836 2.932 1.00 0.00 H new ATOM 0 HA GLU A 106 -27.078 7.746 1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -27.910 10.032 2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -27.106 9.173 3.840 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -25.031 10.450 3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -25.831 11.305 2.099 1.00 0.00 H new ATOM 1681 N ARG A 107 -25.343 9.487 -0.147 1.00 0.00 N ATOM 1682 CA ARG A 107 -25.302 9.946 -1.512 1.00 0.00 C ATOM 1683 C ARG A 107 -25.037 8.759 -2.453 1.00 0.00 C ATOM 1684 O ARG A 107 -25.181 8.876 -3.680 1.00 0.00 O ATOM 1685 CB ARG A 107 -24.302 11.100 -1.698 1.00 0.00 C ATOM 1686 CG ARG A 107 -22.920 10.720 -2.180 1.00 0.00 C ATOM 1687 CD ARG A 107 -22.049 11.959 -2.425 1.00 0.00 C ATOM 1688 NE ARG A 107 -22.741 12.932 -3.280 1.00 0.00 N ATOM 1689 CZ ARG A 107 -22.243 14.101 -3.709 1.00 0.00 C ATOM 1690 NH1 ARG A 107 -21.129 14.590 -3.187 1.00 0.00 N ATOM 1691 NH2 ARG A 107 -22.913 14.815 -4.617 1.00 0.00 N ATOM 0 H ARG A 107 -24.435 9.439 0.315 1.00 0.00 H new ATOM 0 HA ARG A 107 -26.274 10.363 -1.775 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -24.728 11.810 -2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -24.201 11.621 -0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -22.440 10.077 -1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -23.001 10.143 -3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -21.796 12.423 -1.472 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -21.111 11.661 -2.894 1.00 0.00 H new ATOM 0 HE ARG A 107 -23.689 12.697 -3.575 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -20.642 14.077 -2.452 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -20.758 15.480 -3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -23.801 14.471 -4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -22.537 15.704 -4.945 1.00 0.00 H new ATOM 1705 N LEU A 108 -24.594 7.628 -1.860 1.00 0.00 N ATOM 1706 CA LEU A 108 -24.531 6.331 -2.589 1.00 0.00 C ATOM 1707 C LEU A 108 -25.930 5.911 -2.964 1.00 0.00 C ATOM 1708 O LEU A 108 -26.888 6.262 -2.277 1.00 0.00 O ATOM 1709 CB LEU A 108 -23.943 5.181 -1.719 1.00 0.00 C ATOM 1710 CG LEU A 108 -22.458 4.870 -1.828 1.00 0.00 C ATOM 1711 CD1 LEU A 108 -22.085 4.425 -3.193 1.00 0.00 C ATOM 1712 CD2 LEU A 108 -21.642 6.009 -1.355 1.00 0.00 C ATOM 0 H LEU A 108 -24.277 7.581 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 108 -23.889 6.489 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -24.157 5.413 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -24.490 4.270 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 108 -22.242 4.029 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -21.016 4.213 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -22.642 3.523 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -22.322 5.211 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -20.584 5.761 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -21.860 6.889 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -21.879 6.218 -0.312 1.00 0.00 H new ATOM 1724 N GLU A 109 -26.067 5.154 -4.013 1.00 0.00 N ATOM 1725 CA GLU A 109 -27.371 4.678 -4.361 1.00 0.00 C ATOM 1726 C GLU A 109 -27.445 3.170 -4.237 1.00 0.00 C ATOM 1727 O GLU A 109 -26.518 2.444 -4.661 1.00 0.00 O ATOM 1728 CB GLU A 109 -27.830 5.162 -5.744 1.00 0.00 C ATOM 1729 CG GLU A 109 -26.919 4.788 -6.893 1.00 0.00 C ATOM 1730 CD GLU A 109 -27.530 5.127 -8.217 1.00 0.00 C ATOM 1731 OE1 GLU A 109 -28.318 4.321 -8.739 1.00 0.00 O ATOM 1732 OE2 GLU A 109 -27.249 6.202 -8.770 1.00 0.00 O ATOM 0 H GLU A 109 -25.310 4.859 -4.630 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.071 5.110 -3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -28.823 4.757 -5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -27.928 6.247 -5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -25.967 5.309 -6.787 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -26.704 3.720 -6.854 1.00 0.00 H new ATOM 1739 N SER A 110 -28.513 2.717 -3.597 1.00 0.00 N ATOM 1740 CA SER A 110 -28.820 1.314 -3.410 1.00 0.00 C ATOM 1741 C SER A 110 -27.870 0.669 -2.360 1.00 0.00 C ATOM 1742 O SER A 110 -27.198 1.369 -1.572 1.00 0.00 O ATOM 1743 CB SER A 110 -28.807 0.574 -4.782 1.00 0.00 C ATOM 1744 OG SER A 110 -29.254 -0.777 -4.691 1.00 0.00 O ATOM 0 H SER A 110 -29.208 3.338 -3.183 1.00 0.00 H new ATOM 0 HA SER A 110 -29.827 1.218 -3.005 1.00 0.00 H new ATOM 0 HB2 SER A 110 -29.441 1.114 -5.486 1.00 0.00 H new ATOM 0 HB3 SER A 110 -27.795 0.590 -5.187 1.00 0.00 H new ATOM 0 HG SER A 110 -29.227 -1.191 -5.579 1.00 0.00 H new ATOM 1750 N HIS A 111 -27.832 -0.643 -2.366 1.00 0.00 N ATOM 1751 CA HIS A 111 -27.083 -1.475 -1.419 1.00 0.00 C ATOM 1752 C HIS A 111 -25.564 -1.295 -1.470 1.00 0.00 C ATOM 1753 O HIS A 111 -24.876 -1.827 -0.625 1.00 0.00 O ATOM 1754 CB HIS A 111 -27.469 -2.967 -1.528 1.00 0.00 C ATOM 1755 CG HIS A 111 -27.238 -3.578 -2.881 1.00 0.00 C ATOM 1756 ND1 HIS A 111 -26.045 -4.127 -3.282 1.00 0.00 N ATOM 1757 CD2 HIS A 111 -28.082 -3.714 -3.931 1.00 0.00 C ATOM 1758 CE1 HIS A 111 -26.190 -4.567 -4.531 1.00 0.00 C ATOM 1759 NE2 HIS A 111 -27.414 -4.340 -4.973 1.00 0.00 N ATOM 0 H HIS A 111 -28.340 -1.195 -3.056 1.00 0.00 H new ATOM 0 HA HIS A 111 -27.386 -1.108 -0.438 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -26.900 -3.530 -0.788 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -28.523 -3.075 -1.270 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -29.111 -3.387 -3.954 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -25.411 -5.046 -5.106 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -27.790 -4.576 -5.891 1.00 0.00 H new ATOM 1767 N MET A 112 -25.066 -0.556 -2.460 1.00 0.00 N ATOM 1768 CA MET A 112 -23.612 -0.317 -2.661 1.00 0.00 C ATOM 1769 C MET A 112 -22.890 -0.006 -1.347 1.00 0.00 C ATOM 1770 O MET A 112 -21.979 -0.742 -0.941 1.00 0.00 O ATOM 1771 CB MET A 112 -23.417 0.865 -3.619 1.00 0.00 C ATOM 1772 CG MET A 112 -23.540 0.538 -5.097 1.00 0.00 C ATOM 1773 SD MET A 112 -22.091 -0.329 -5.740 1.00 0.00 S ATOM 1774 CE MET A 112 -20.813 0.914 -5.464 1.00 0.00 C ATOM 0 H MET A 112 -25.652 -0.097 -3.157 1.00 0.00 H new ATOM 0 HA MET A 112 -23.186 -1.231 -3.075 1.00 0.00 H new ATOM 0 HB2 MET A 112 -24.150 1.634 -3.373 1.00 0.00 H new ATOM 0 HB3 MET A 112 -22.431 1.295 -3.441 1.00 0.00 H new ATOM 0 HG2 MET A 112 -24.427 -0.076 -5.257 1.00 0.00 H new ATOM 0 HG3 MET A 112 -23.685 1.461 -5.659 1.00 0.00 H new ATOM 0 HE1 MET A 112 -19.994 0.756 -6.166 1.00 0.00 H new ATOM 0 HE2 MET A 112 -21.234 1.908 -5.615 1.00 0.00 H new ATOM 0 HE3 MET A 112 -20.438 0.830 -4.444 1.00 0.00 H new ATOM 1784 N GLN A 113 -23.345 1.028 -0.651 1.00 0.00 N ATOM 1785 CA GLN A 113 -22.727 1.428 0.604 1.00 0.00 C ATOM 1786 C GLN A 113 -22.836 0.316 1.663 1.00 0.00 C ATOM 1787 O GLN A 113 -21.893 0.055 2.386 1.00 0.00 O ATOM 1788 CB GLN A 113 -23.324 2.739 1.134 1.00 0.00 C ATOM 1789 CG GLN A 113 -24.811 2.706 1.234 1.00 0.00 C ATOM 1790 CD GLN A 113 -25.357 3.296 2.516 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -25.456 2.612 3.523 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -25.781 4.501 2.477 1.00 0.00 N ATOM 0 H GLN A 113 -24.138 1.603 -0.935 1.00 0.00 H new ATOM 0 HA GLN A 113 -21.670 1.599 0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -22.904 2.951 2.117 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -23.028 3.558 0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -25.233 3.248 0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -25.147 1.673 1.150 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -25.685 5.048 1.622 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -26.216 4.916 3.301 1.00 0.00 H new ATOM 1801 N LYS A 114 -23.972 -0.369 1.685 1.00 0.00 N ATOM 1802 CA LYS A 114 -24.247 -1.428 2.647 1.00 0.00 C ATOM 1803 C LYS A 114 -23.317 -2.618 2.427 1.00 0.00 C ATOM 1804 O LYS A 114 -22.864 -3.249 3.386 1.00 0.00 O ATOM 1805 CB LYS A 114 -25.695 -1.881 2.507 1.00 0.00 C ATOM 1806 CG LYS A 114 -26.726 -0.785 2.700 1.00 0.00 C ATOM 1807 CD LYS A 114 -26.788 -0.295 4.138 1.00 0.00 C ATOM 1808 CE LYS A 114 -27.850 0.779 4.306 1.00 0.00 C ATOM 1809 NZ LYS A 114 -27.866 1.336 5.671 1.00 0.00 N ATOM 0 H LYS A 114 -24.736 -0.203 1.029 1.00 0.00 H new ATOM 0 HA LYS A 114 -24.077 -1.036 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -25.830 -2.318 1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -25.885 -2.672 3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -26.490 0.052 2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -27.707 -1.156 2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -27.005 -1.132 4.801 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -25.816 0.101 4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -27.670 1.581 3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -28.829 0.359 4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -28.605 2.064 5.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -28.063 0.577 6.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -26.941 1.760 5.884 1.00 0.00 H new ATOM 1823 N ASN A 115 -23.030 -2.910 1.165 1.00 0.00 N ATOM 1824 CA ASN A 115 -22.132 -4.005 0.789 1.00 0.00 C ATOM 1825 C ASN A 115 -20.756 -3.734 1.305 1.00 0.00 C ATOM 1826 O ASN A 115 -20.048 -4.644 1.743 1.00 0.00 O ATOM 1827 CB ASN A 115 -22.088 -4.215 -0.736 1.00 0.00 C ATOM 1828 CG ASN A 115 -23.347 -4.846 -1.309 1.00 0.00 C ATOM 1829 OD1 ASN A 115 -24.441 -4.690 -0.789 1.00 0.00 O ATOM 1830 ND2 ASN A 115 -23.202 -5.544 -2.398 1.00 0.00 N ATOM 0 H ASN A 115 -23.411 -2.397 0.370 1.00 0.00 H new ATOM 0 HA ASN A 115 -22.520 -4.920 1.237 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -21.923 -3.253 -1.221 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -21.234 -4.846 -0.981 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -24.014 -5.977 -2.838 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -22.276 -5.658 -2.811 1.00 0.00 H new ATOM 1837 N LEU A 116 -20.395 -2.479 1.295 1.00 0.00 N ATOM 1838 CA LEU A 116 -19.106 -2.047 1.775 1.00 0.00 C ATOM 1839 C LEU A 116 -19.068 -2.095 3.318 1.00 0.00 C ATOM 1840 O LEU A 116 -18.010 -2.276 3.901 1.00 0.00 O ATOM 1841 CB LEU A 116 -18.840 -0.634 1.304 1.00 0.00 C ATOM 1842 CG LEU A 116 -19.037 -0.352 -0.189 1.00 0.00 C ATOM 1843 CD1 LEU A 116 -19.074 1.131 -0.427 1.00 0.00 C ATOM 1844 CD2 LEU A 116 -17.922 -0.980 -1.002 1.00 0.00 C ATOM 0 H LEU A 116 -20.988 -1.723 0.953 1.00 0.00 H new ATOM 0 HA LEU A 116 -18.339 -2.714 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -19.489 0.038 1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -17.813 -0.377 1.565 1.00 0.00 H new ATOM 0 HG LEU A 116 -19.984 -0.790 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -19.214 1.325 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -19.900 1.569 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -18.135 1.576 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -18.080 -0.769 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.964 -0.565 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -17.919 -2.058 -0.844 1.00 0.00 H new ATOM 1856 N LEU A 117 -20.246 -1.933 3.953 1.00 0.00 N ATOM 1857 CA LEU A 117 -20.389 -1.976 5.427 1.00 0.00 C ATOM 1858 C LEU A 117 -20.161 -3.381 5.972 1.00 0.00 C ATOM 1859 O LEU A 117 -19.700 -3.553 7.104 1.00 0.00 O ATOM 1860 CB LEU A 117 -21.781 -1.509 5.867 1.00 0.00 C ATOM 1861 CG LEU A 117 -22.238 -0.136 5.396 1.00 0.00 C ATOM 1862 CD1 LEU A 117 -23.584 0.218 5.985 1.00 0.00 C ATOM 1863 CD2 LEU A 117 -21.226 0.916 5.733 1.00 0.00 C ATOM 0 H LEU A 117 -21.125 -1.769 3.462 1.00 0.00 H new ATOM 0 HA LEU A 117 -19.631 -1.303 5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -22.508 -2.244 5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -21.811 -1.519 6.957 1.00 0.00 H new ATOM 0 HG LEU A 117 -22.338 -0.176 4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -23.887 1.204 5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -24.323 -0.521 5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -23.514 0.227 7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -21.580 1.886 5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -21.081 0.949 6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -20.279 0.679 5.247 1.00 0.00 H new ATOM 1875 N LYS A 118 -20.555 -4.390 5.201 1.00 0.00 N ATOM 1876 CA LYS A 118 -20.260 -5.780 5.584 1.00 0.00 C ATOM 1877 C LYS A 118 -18.854 -6.058 5.193 1.00 0.00 C ATOM 1878 O LYS A 118 -18.129 -6.791 5.849 1.00 0.00 O ATOM 1879 CB LYS A 118 -21.124 -6.790 4.834 1.00 0.00 C ATOM 1880 CG LYS A 118 -22.600 -6.604 4.981 1.00 0.00 C ATOM 1881 CD LYS A 118 -23.241 -6.306 3.635 1.00 0.00 C ATOM 1882 CE LYS A 118 -23.170 -7.492 2.667 1.00 0.00 C ATOM 1883 NZ LYS A 118 -24.078 -8.600 3.038 1.00 0.00 N ATOM 0 H LYS A 118 -21.068 -4.284 4.326 1.00 0.00 H new ATOM 0 HA LYS A 118 -20.449 -5.881 6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -20.872 -6.742 3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -20.865 -7.791 5.178 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -23.044 -7.503 5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -22.801 -5.787 5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -24.284 -6.030 3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -22.746 -5.445 3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -23.417 -7.149 1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -22.146 -7.865 2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -23.985 -9.371 2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -23.828 -8.951 3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -25.060 -8.257 3.044 1.00 0.00 H new ATOM 1897 N GLY A 119 -18.496 -5.468 4.102 1.00 0.00 N ATOM 1898 CA GLY A 119 -17.217 -5.653 3.545 1.00 0.00 C ATOM 1899 C GLY A 119 -17.330 -6.533 2.351 1.00 0.00 C ATOM 1900 O GLY A 119 -18.182 -7.439 2.317 1.00 0.00 O ATOM 0 H GLY A 119 -19.098 -4.838 3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -16.786 -4.692 3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -16.548 -6.100 4.280 1.00 0.00 H new ATOM 1904 N ILE A 120 -16.550 -6.260 1.359 1.00 0.00 N ATOM 1905 CA ILE A 120 -16.566 -7.054 0.142 1.00 0.00 C ATOM 1906 C ILE A 120 -15.878 -8.361 0.457 1.00 0.00 C ATOM 1907 O ILE A 120 -14.838 -8.323 1.019 1.00 0.00 O ATOM 1908 CB ILE A 120 -15.850 -6.293 -1.019 1.00 0.00 C ATOM 1909 CG1 ILE A 120 -16.444 -4.884 -1.147 1.00 0.00 C ATOM 1910 CG2 ILE A 120 -15.985 -7.036 -2.340 1.00 0.00 C ATOM 1911 CD1 ILE A 120 -17.952 -4.880 -1.167 1.00 0.00 C ATOM 0 H ILE A 120 -15.882 -5.489 1.353 1.00 0.00 H new ATOM 0 HA ILE A 120 -17.587 -7.240 -0.192 1.00 0.00 H new ATOM 0 HB ILE A 120 -14.788 -6.228 -0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -16.096 -4.272 -0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -16.073 -4.421 -2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -15.475 -6.478 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -15.537 -8.025 -2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -17.040 -7.138 -2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -18.312 -3.855 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -18.306 -5.467 -2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -18.329 -5.315 -0.242 1.00 0.00 H new ATOM 1923 N PRO A 121 -16.480 -9.525 0.117 1.00 0.00 N ATOM 1924 CA PRO A 121 -15.969 -10.852 0.538 1.00 0.00 C ATOM 1925 C PRO A 121 -14.757 -11.366 -0.243 1.00 0.00 C ATOM 1926 O PRO A 121 -14.178 -12.392 0.110 1.00 0.00 O ATOM 1927 CB PRO A 121 -17.167 -11.761 0.319 1.00 0.00 C ATOM 1928 CG PRO A 121 -17.882 -11.147 -0.833 1.00 0.00 C ATOM 1929 CD PRO A 121 -17.710 -9.659 -0.689 1.00 0.00 C ATOM 0 HA PRO A 121 -15.597 -10.809 1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -16.857 -12.782 0.098 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -17.801 -11.805 1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -17.469 -11.497 -1.779 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -18.937 -11.419 -0.826 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -17.608 -9.172 -1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -18.566 -9.203 -0.192 1.00 0.00 H new ATOM 1937 N PHE A 122 -14.393 -10.667 -1.275 1.00 0.00 N ATOM 1938 CA PHE A 122 -13.225 -11.003 -2.070 1.00 0.00 C ATOM 1939 C PHE A 122 -12.904 -9.818 -2.947 1.00 0.00 C ATOM 1940 O PHE A 122 -13.803 -9.074 -3.334 1.00 0.00 O ATOM 1941 CB PHE A 122 -13.433 -12.277 -2.925 1.00 0.00 C ATOM 1942 CG PHE A 122 -12.137 -12.870 -3.446 1.00 0.00 C ATOM 1943 CD1 PHE A 122 -11.416 -13.760 -2.666 1.00 0.00 C ATOM 1944 CD2 PHE A 122 -11.636 -12.533 -4.696 1.00 0.00 C ATOM 1945 CE1 PHE A 122 -10.227 -14.300 -3.121 1.00 0.00 C ATOM 1946 CE2 PHE A 122 -10.450 -13.068 -5.154 1.00 0.00 C ATOM 1947 CZ PHE A 122 -9.744 -13.952 -4.366 1.00 0.00 C ATOM 0 H PHE A 122 -14.894 -9.840 -1.601 1.00 0.00 H new ATOM 0 HA PHE A 122 -12.395 -11.225 -1.400 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -13.953 -13.026 -2.327 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -14.080 -12.038 -3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -11.788 -14.035 -1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -12.183 -11.841 -5.319 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -9.677 -14.994 -2.502 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -10.075 -12.795 -6.129 1.00 0.00 H new ATOM 0 HZ PHE A 122 -8.815 -14.371 -4.722 1.00 0.00 H new ATOM 1957 N ARG A 123 -11.649 -9.626 -3.239 1.00 0.00 N ATOM 1958 CA ARG A 123 -11.202 -8.492 -4.015 1.00 0.00 C ATOM 1959 C ARG A 123 -9.920 -8.801 -4.747 1.00 0.00 C ATOM 1960 O ARG A 123 -8.963 -9.297 -4.154 1.00 0.00 O ATOM 1961 CB ARG A 123 -10.979 -7.281 -3.095 1.00 0.00 C ATOM 1962 CG ARG A 123 -10.384 -7.669 -1.749 1.00 0.00 C ATOM 1963 CD ARG A 123 -9.925 -6.487 -0.941 1.00 0.00 C ATOM 1964 NE ARG A 123 -8.529 -6.179 -1.186 1.00 0.00 N ATOM 1965 CZ ARG A 123 -7.709 -5.570 -0.313 1.00 0.00 C ATOM 1966 NH1 ARG A 123 -8.152 -5.146 0.876 1.00 0.00 N ATOM 1967 NH2 ARG A 123 -6.446 -5.421 -0.618 1.00 0.00 N ATOM 0 H ARG A 123 -10.899 -10.252 -2.946 1.00 0.00 H new ATOM 0 HA ARG A 123 -11.975 -8.264 -4.748 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -10.316 -6.571 -3.590 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -11.929 -6.772 -2.935 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -11.127 -8.225 -1.177 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -9.540 -8.339 -1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -10.537 -5.619 -1.186 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -10.072 -6.692 0.119 1.00 0.00 H new ATOM 0 HE ARG A 123 -8.140 -6.445 -2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -9.129 -5.283 1.135 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -7.513 -4.686 1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -6.093 -5.766 -1.511 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -5.814 -4.960 0.037 1.00 0.00 H new ATOM 1981 N THR A 124 -9.915 -8.515 -6.014 1.00 0.00 N ATOM 1982 CA THR A 124 -8.728 -8.598 -6.821 1.00 0.00 C ATOM 1983 C THR A 124 -8.356 -7.129 -7.158 1.00 0.00 C ATOM 1984 O THR A 124 -9.150 -6.227 -6.840 1.00 0.00 O ATOM 1985 CB THR A 124 -9.036 -9.418 -8.094 1.00 0.00 C ATOM 1986 OG1 THR A 124 -9.845 -10.551 -7.731 1.00 0.00 O ATOM 1987 CG2 THR A 124 -7.764 -9.921 -8.734 1.00 0.00 C ATOM 0 H THR A 124 -10.744 -8.213 -6.526 1.00 0.00 H new ATOM 0 HA THR A 124 -7.901 -9.097 -6.316 1.00 0.00 H new ATOM 0 HB THR A 124 -9.558 -8.776 -8.804 1.00 0.00 H new ATOM 0 HG1 THR A 124 -10.748 -10.248 -7.500 1.00 0.00 H new ATOM 0 HG21 THR A 124 -8.009 -10.495 -9.628 1.00 0.00 H new ATOM 0 HG22 THR A 124 -7.135 -9.074 -9.008 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.229 -10.558 -8.029 1.00 0.00 H new ATOM 1995 N LYS A 125 -7.214 -6.865 -7.787 1.00 0.00 N ATOM 1996 CA LYS A 125 -6.777 -5.527 -8.014 1.00 0.00 C ATOM 1997 C LYS A 125 -7.717 -4.726 -8.918 1.00 0.00 C ATOM 1998 O LYS A 125 -8.086 -3.597 -8.587 1.00 0.00 O ATOM 1999 CB LYS A 125 -5.304 -5.531 -8.471 1.00 0.00 C ATOM 2000 CG LYS A 125 -4.847 -4.268 -9.143 1.00 0.00 C ATOM 2001 CD LYS A 125 -5.109 -4.320 -10.632 1.00 0.00 C ATOM 2002 CE LYS A 125 -4.161 -5.245 -11.346 1.00 0.00 C ATOM 2003 NZ LYS A 125 -4.427 -5.312 -12.798 1.00 0.00 N ATOM 0 H LYS A 125 -6.582 -7.581 -8.145 1.00 0.00 H new ATOM 0 HA LYS A 125 -6.822 -4.985 -7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -4.670 -5.713 -7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -5.154 -6.365 -9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -5.365 -3.413 -8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -3.782 -4.121 -8.963 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -6.134 -4.647 -10.807 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -5.019 -3.317 -11.050 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -3.137 -4.909 -11.182 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -4.241 -6.244 -10.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.749 -5.961 -13.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -5.395 -5.658 -12.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -4.325 -4.364 -13.214 1.00 0.00 H new ATOM 2017 N ALA A 126 -8.148 -5.333 -10.005 1.00 0.00 N ATOM 2018 CA ALA A 126 -8.991 -4.652 -10.972 1.00 0.00 C ATOM 2019 C ALA A 126 -10.351 -4.383 -10.374 1.00 0.00 C ATOM 2020 O ALA A 126 -10.997 -3.385 -10.670 1.00 0.00 O ATOM 2021 CB ALA A 126 -9.113 -5.481 -12.238 1.00 0.00 C ATOM 0 H ALA A 126 -7.928 -6.300 -10.243 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.534 -3.697 -11.232 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -9.747 -4.959 -12.955 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -8.124 -5.632 -12.671 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.555 -6.448 -11.998 1.00 0.00 H new ATOM 2027 N GLU A 127 -10.755 -5.257 -9.485 1.00 0.00 N ATOM 2028 CA GLU A 127 -12.045 -5.133 -8.844 1.00 0.00 C ATOM 2029 C GLU A 127 -11.990 -4.001 -7.837 1.00 0.00 C ATOM 2030 O GLU A 127 -12.932 -3.217 -7.712 1.00 0.00 O ATOM 2031 CB GLU A 127 -12.420 -6.434 -8.170 1.00 0.00 C ATOM 2032 CG GLU A 127 -12.037 -7.634 -9.000 1.00 0.00 C ATOM 2033 CD GLU A 127 -12.616 -8.920 -8.484 1.00 0.00 C ATOM 2034 OE1 GLU A 127 -12.185 -9.385 -7.415 1.00 0.00 O ATOM 2035 OE2 GLU A 127 -13.506 -9.492 -9.135 1.00 0.00 O ATOM 0 H GLU A 127 -10.209 -6.065 -9.187 1.00 0.00 H new ATOM 0 HA GLU A 127 -12.807 -4.910 -9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.928 -6.494 -7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -13.494 -6.450 -7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -12.370 -7.479 -10.026 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -10.951 -7.717 -9.027 1.00 0.00 H new ATOM 2042 N PHE A 128 -10.851 -3.903 -7.160 1.00 0.00 N ATOM 2043 CA PHE A 128 -10.588 -2.868 -6.191 1.00 0.00 C ATOM 2044 C PHE A 128 -10.615 -1.492 -6.844 1.00 0.00 C ATOM 2045 O PHE A 128 -11.351 -0.615 -6.415 1.00 0.00 O ATOM 2046 CB PHE A 128 -9.226 -3.107 -5.513 1.00 0.00 C ATOM 2047 CG PHE A 128 -8.780 -1.972 -4.640 1.00 0.00 C ATOM 2048 CD1 PHE A 128 -8.030 -0.934 -5.172 1.00 0.00 C ATOM 2049 CD2 PHE A 128 -9.122 -1.933 -3.307 1.00 0.00 C ATOM 2050 CE1 PHE A 128 -7.636 0.126 -4.389 1.00 0.00 C ATOM 2051 CE2 PHE A 128 -8.728 -0.877 -2.511 1.00 0.00 C ATOM 2052 CZ PHE A 128 -7.985 0.157 -3.054 1.00 0.00 C ATOM 0 H PHE A 128 -10.077 -4.557 -7.278 1.00 0.00 H new ATOM 0 HA PHE A 128 -11.372 -2.903 -5.434 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -9.283 -4.015 -4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.473 -3.280 -6.282 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.751 -0.958 -6.215 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -9.704 -2.736 -2.880 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -7.056 0.930 -4.817 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -8.999 -0.857 -1.466 1.00 0.00 H new ATOM 0 HZ PHE A 128 -7.679 0.987 -2.434 1.00 0.00 H new ATOM 2062 N GLU A 129 -9.827 -1.310 -7.886 1.00 0.00 N ATOM 2063 CA GLU A 129 -9.744 -0.013 -8.521 1.00 0.00 C ATOM 2064 C GLU A 129 -11.053 0.375 -9.209 1.00 0.00 C ATOM 2065 O GLU A 129 -11.330 1.555 -9.402 1.00 0.00 O ATOM 2066 CB GLU A 129 -8.506 0.115 -9.436 1.00 0.00 C ATOM 2067 CG GLU A 129 -8.321 -1.009 -10.436 1.00 0.00 C ATOM 2068 CD GLU A 129 -7.161 -0.768 -11.382 1.00 0.00 C ATOM 2069 OE1 GLU A 129 -7.330 -0.021 -12.370 1.00 0.00 O ATOM 2070 OE2 GLU A 129 -6.061 -1.320 -11.181 1.00 0.00 O ATOM 0 H GLU A 129 -9.243 -2.034 -8.305 1.00 0.00 H new ATOM 0 HA GLU A 129 -9.597 0.722 -7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.573 1.057 -9.981 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -7.616 0.172 -8.809 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -8.158 -1.944 -9.899 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -9.237 -1.129 -11.015 1.00 0.00 H new ATOM 2077 N ASP A 130 -11.864 -0.620 -9.522 1.00 0.00 N ATOM 2078 CA ASP A 130 -13.191 -0.396 -10.109 1.00 0.00 C ATOM 2079 C ASP A 130 -14.161 0.105 -9.054 1.00 0.00 C ATOM 2080 O ASP A 130 -14.903 1.058 -9.264 1.00 0.00 O ATOM 2081 CB ASP A 130 -13.743 -1.684 -10.692 1.00 0.00 C ATOM 2082 CG ASP A 130 -15.127 -1.512 -11.286 1.00 0.00 C ATOM 2083 OD1 ASP A 130 -16.125 -1.698 -10.556 1.00 0.00 O ATOM 2084 OD2 ASP A 130 -15.246 -1.205 -12.489 1.00 0.00 O ATOM 0 H ASP A 130 -11.632 -1.603 -9.381 1.00 0.00 H new ATOM 0 HA ASP A 130 -13.081 0.349 -10.897 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -13.064 -2.049 -11.463 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -13.779 -2.445 -9.912 1.00 0.00 H new ATOM 2089 N VAL A 131 -14.168 -0.548 -7.923 1.00 0.00 N ATOM 2090 CA VAL A 131 -15.055 -0.134 -6.842 1.00 0.00 C ATOM 2091 C VAL A 131 -14.576 1.198 -6.235 1.00 0.00 C ATOM 2092 O VAL A 131 -15.375 2.078 -5.922 1.00 0.00 O ATOM 2093 CB VAL A 131 -15.245 -1.251 -5.747 1.00 0.00 C ATOM 2094 CG1 VAL A 131 -13.943 -1.665 -5.123 1.00 0.00 C ATOM 2095 CG2 VAL A 131 -16.228 -0.819 -4.677 1.00 0.00 C ATOM 0 H VAL A 131 -13.583 -1.358 -7.717 1.00 0.00 H new ATOM 0 HA VAL A 131 -16.044 0.024 -7.273 1.00 0.00 H new ATOM 0 HB VAL A 131 -15.655 -2.119 -6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -14.127 -2.436 -4.375 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -13.279 -2.057 -5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -13.477 -0.802 -4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -16.335 -1.614 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -15.861 0.083 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -17.197 -0.616 -5.134 1.00 0.00 H new ATOM 2105 N ILE A 132 -13.274 1.361 -6.143 1.00 0.00 N ATOM 2106 CA ILE A 132 -12.673 2.568 -5.606 1.00 0.00 C ATOM 2107 C ILE A 132 -12.929 3.794 -6.482 1.00 0.00 C ATOM 2108 O ILE A 132 -13.155 4.894 -5.960 1.00 0.00 O ATOM 2109 CB ILE A 132 -11.156 2.368 -5.264 1.00 0.00 C ATOM 2110 CG1 ILE A 132 -10.982 2.020 -3.770 1.00 0.00 C ATOM 2111 CG2 ILE A 132 -10.286 3.563 -5.661 1.00 0.00 C ATOM 2112 CD1 ILE A 132 -11.743 0.788 -3.312 1.00 0.00 C ATOM 0 H ILE A 132 -12.597 0.658 -6.439 1.00 0.00 H new ATOM 0 HA ILE A 132 -13.176 2.773 -4.661 1.00 0.00 H new ATOM 0 HB ILE A 132 -10.804 1.530 -5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -9.921 1.872 -3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -11.305 2.873 -3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -9.248 3.361 -5.397 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -10.362 3.727 -6.736 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -10.628 4.453 -5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -11.561 0.622 -2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -12.810 0.937 -3.478 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -11.405 -0.080 -3.878 1.00 0.00 H new ATOM 2124 N GLU A 133 -12.953 3.613 -7.796 1.00 0.00 N ATOM 2125 CA GLU A 133 -13.223 4.735 -8.679 1.00 0.00 C ATOM 2126 C GLU A 133 -14.675 5.219 -8.501 1.00 0.00 C ATOM 2127 O GLU A 133 -14.977 6.395 -8.658 1.00 0.00 O ATOM 2128 CB GLU A 133 -12.929 4.411 -10.142 1.00 0.00 C ATOM 2129 CG GLU A 133 -13.812 3.371 -10.741 1.00 0.00 C ATOM 2130 CD GLU A 133 -13.606 3.220 -12.212 1.00 0.00 C ATOM 2131 OE1 GLU A 133 -14.186 4.007 -12.981 1.00 0.00 O ATOM 2132 OE2 GLU A 133 -12.876 2.321 -12.631 1.00 0.00 O ATOM 0 H GLU A 133 -12.793 2.721 -8.264 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.545 5.541 -8.397 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -13.020 5.326 -10.728 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.894 4.081 -10.225 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -13.625 2.415 -10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -14.853 3.629 -10.548 1.00 0.00 H new ATOM 2139 N HIS A 134 -15.540 4.298 -8.100 1.00 0.00 N ATOM 2140 CA HIS A 134 -16.951 4.577 -7.869 1.00 0.00 C ATOM 2141 C HIS A 134 -17.071 5.370 -6.544 1.00 0.00 C ATOM 2142 O HIS A 134 -17.858 6.272 -6.407 1.00 0.00 O ATOM 2143 CB HIS A 134 -17.684 3.229 -7.760 1.00 0.00 C ATOM 2144 CG HIS A 134 -19.153 3.239 -8.068 1.00 0.00 C ATOM 2145 ND1 HIS A 134 -19.741 2.366 -8.960 1.00 0.00 N ATOM 2146 CD2 HIS A 134 -20.162 3.977 -7.553 1.00 0.00 C ATOM 2147 CE1 HIS A 134 -21.055 2.590 -8.959 1.00 0.00 C ATOM 2148 NE2 HIS A 134 -21.370 3.562 -8.118 1.00 0.00 N ATOM 0 H HIS A 134 -15.280 3.327 -7.924 1.00 0.00 H new ATOM 0 HA HIS A 134 -17.388 5.163 -8.678 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -17.199 2.522 -8.433 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -17.550 2.849 -6.747 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -20.051 4.763 -6.821 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -21.768 2.050 -9.564 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -22.301 3.931 -7.923 1.00 0.00 H new ATOM 2156 N MET A 135 -16.235 5.009 -5.612 1.00 0.00 N ATOM 2157 CA MET A 135 -16.138 5.632 -4.281 1.00 0.00 C ATOM 2158 C MET A 135 -15.610 7.069 -4.376 1.00 0.00 C ATOM 2159 O MET A 135 -16.170 7.993 -3.787 1.00 0.00 O ATOM 2160 CB MET A 135 -15.187 4.837 -3.381 1.00 0.00 C ATOM 2161 CG MET A 135 -15.532 3.368 -3.104 1.00 0.00 C ATOM 2162 SD MET A 135 -17.054 3.098 -2.169 1.00 0.00 S ATOM 2163 CE MET A 135 -18.324 3.125 -3.432 1.00 0.00 C ATOM 0 H MET A 135 -15.569 4.247 -5.743 1.00 0.00 H new ATOM 0 HA MET A 135 -17.143 5.638 -3.858 1.00 0.00 H new ATOM 0 HB2 MET A 135 -14.194 4.870 -3.830 1.00 0.00 H new ATOM 0 HB3 MET A 135 -15.121 5.353 -2.423 1.00 0.00 H new ATOM 0 HG2 MET A 135 -15.612 2.844 -4.057 1.00 0.00 H new ATOM 0 HG3 MET A 135 -14.704 2.914 -2.559 1.00 0.00 H new ATOM 0 HE1 MET A 135 -19.075 2.367 -3.210 1.00 0.00 H new ATOM 0 HE2 MET A 135 -18.796 4.107 -3.453 1.00 0.00 H new ATOM 0 HE3 MET A 135 -17.875 2.918 -4.404 1.00 0.00 H new ATOM 2173 N LYS A 136 -14.536 7.260 -5.148 1.00 0.00 N ATOM 2174 CA LYS A 136 -13.908 8.596 -5.312 1.00 0.00 C ATOM 2175 C LYS A 136 -14.785 9.486 -6.137 1.00 0.00 C ATOM 2176 O LYS A 136 -14.661 10.702 -6.124 1.00 0.00 O ATOM 2177 CB LYS A 136 -12.500 8.538 -5.893 1.00 0.00 C ATOM 2178 CG LYS A 136 -12.409 7.894 -7.241 1.00 0.00 C ATOM 2179 CD LYS A 136 -11.023 8.030 -7.841 1.00 0.00 C ATOM 2180 CE LYS A 136 -9.938 7.500 -6.921 1.00 0.00 C ATOM 2181 NZ LYS A 136 -8.611 7.512 -7.573 1.00 0.00 N ATOM 0 H LYS A 136 -14.077 6.515 -5.672 1.00 0.00 H new ATOM 0 HA LYS A 136 -13.805 9.014 -4.311 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -12.107 9.553 -5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -11.857 7.994 -5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -12.666 6.838 -7.157 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -13.140 8.348 -7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -10.986 7.493 -8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -10.827 9.079 -8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -9.903 8.104 -6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -10.184 6.483 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -7.897 7.143 -6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -8.637 6.915 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -8.365 8.486 -7.841 1.00 0.00 H new ATOM 2195 N THR A 137 -15.678 8.867 -6.831 1.00 0.00 N ATOM 2196 CA THR A 137 -16.649 9.513 -7.593 1.00 0.00 C ATOM 2197 C THR A 137 -17.599 10.296 -6.643 1.00 0.00 C ATOM 2198 O THR A 137 -18.253 11.279 -7.029 1.00 0.00 O ATOM 2199 CB THR A 137 -17.317 8.415 -8.424 1.00 0.00 C ATOM 2200 OG1 THR A 137 -16.696 8.246 -9.691 1.00 0.00 O ATOM 2201 CG2 THR A 137 -18.797 8.473 -8.482 1.00 0.00 C ATOM 0 H THR A 137 -15.740 7.850 -6.873 1.00 0.00 H new ATOM 0 HA THR A 137 -16.259 10.267 -8.277 1.00 0.00 H new ATOM 0 HB THR A 137 -17.137 7.496 -7.865 1.00 0.00 H new ATOM 0 HG1 THR A 137 -15.977 7.584 -9.617 1.00 0.00 H new ATOM 0 HG21 THR A 137 -19.170 7.652 -9.095 1.00 0.00 H new ATOM 0 HG22 THR A 137 -19.204 8.388 -7.475 1.00 0.00 H new ATOM 0 HG23 THR A 137 -19.107 9.422 -8.919 1.00 0.00 H new ATOM 2209 N TYR A 138 -17.623 9.877 -5.387 1.00 0.00 N ATOM 2210 CA TYR A 138 -18.318 10.584 -4.377 1.00 0.00 C ATOM 2211 C TYR A 138 -17.349 11.505 -3.652 1.00 0.00 C ATOM 2212 O TYR A 138 -17.486 12.710 -3.735 1.00 0.00 O ATOM 2213 CB TYR A 138 -19.019 9.610 -3.433 1.00 0.00 C ATOM 2214 CG TYR A 138 -20.025 8.775 -4.173 1.00 0.00 C ATOM 2215 CD1 TYR A 138 -21.117 9.381 -4.754 1.00 0.00 C ATOM 2216 CD2 TYR A 138 -19.863 7.407 -4.355 1.00 0.00 C ATOM 2217 CE1 TYR A 138 -22.029 8.672 -5.476 1.00 0.00 C ATOM 2218 CE2 TYR A 138 -20.774 6.695 -5.093 1.00 0.00 C ATOM 2219 CZ TYR A 138 -21.859 7.333 -5.648 1.00 0.00 C ATOM 2220 OH TYR A 138 -22.776 6.623 -6.384 1.00 0.00 O ATOM 0 H TYR A 138 -17.153 9.033 -5.061 1.00 0.00 H new ATOM 0 HA TYR A 138 -19.097 11.203 -4.821 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -18.281 8.962 -2.959 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -19.516 10.164 -2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -21.254 10.446 -4.634 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -19.016 6.902 -3.914 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -22.883 9.170 -5.910 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -20.639 5.633 -5.238 1.00 0.00 H new ATOM 0 HH TYR A 138 -22.512 5.680 -6.414 1.00 0.00 H new ATOM 2230 N SER A 139 -16.332 10.913 -2.991 1.00 0.00 N ATOM 2231 CA SER A 139 -15.313 11.640 -2.205 1.00 0.00 C ATOM 2232 C SER A 139 -15.903 12.623 -1.170 1.00 0.00 C ATOM 2233 O SER A 139 -15.202 13.495 -0.655 1.00 0.00 O ATOM 2234 CB SER A 139 -14.337 12.322 -3.131 1.00 0.00 C ATOM 2235 OG SER A 139 -13.577 11.377 -3.856 1.00 0.00 O ATOM 0 H SER A 139 -16.194 9.902 -2.988 1.00 0.00 H new ATOM 0 HA SER A 139 -14.783 10.895 -1.611 1.00 0.00 H new ATOM 0 HB2 SER A 139 -14.878 12.966 -3.824 1.00 0.00 H new ATOM 0 HB3 SER A 139 -13.671 12.963 -2.554 1.00 0.00 H new ATOM 0 HG SER A 139 -13.908 11.329 -4.777 1.00 0.00 H new ATOM 2241 N GLY A 140 -17.148 12.437 -0.844 1.00 0.00 N ATOM 2242 CA GLY A 140 -17.825 13.247 0.058 1.00 0.00 C ATOM 2243 C GLY A 140 -19.177 13.319 -0.464 1.00 0.00 C ATOM 2244 O GLY A 140 -19.513 14.294 -1.135 1.00 0.00 O ATOM 2245 OXT GLY A 140 -19.852 12.302 -0.399 1.00 0.00 O ATOM 0 H GLY A 140 -17.719 11.683 -1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -17.809 12.823 1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -17.371 14.236 0.122 1.00 0.00 H new TER 2249 GLY A 140