USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 961 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 105 THR OG1 : rot -95:sc= -19.4! USER MOD Set 1.2: A 110 SER OG : rot -169:sc= -7.16! USER MOD Set 2.1: A 4 GLN : amide:sc= -2.47! C(o=-2.1!,f=-9.5!) USER MOD Set 2.2: A 103 THR OG1 : rot -166:sc= 0.393 USER MOD Set 3.1: A 35 ASN : amide:sc= -25.8! C(o=-25!,f=-47!) USER MOD Set 3.2: A 37 THR OG1 : rot 79:sc= 0.364 USER MOD Set 4.1: A 20 HIS : no HE2:sc= -42.1! C(o=-76!,f=-67!) USER MOD Set 4.2: A 21 SER OG : rot -109:sc= -3.53! USER MOD Set 4.3: A 38 HIS : no HD1:sc= -30.3! C(o=-76!,f=-69!) USER MOD Single : A 2 SER OG : rot -80:sc= -6.81! USER MOD Single : A 3 ASN : amide:sc= -5.35! C(o=-5.4!,f=-8.1!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -140:sc= -1.97! USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -66:sc= -0.448! USER MOD Single : A 16 TYR OH : rot 165:sc= -5.68! USER MOD Single : A 22 THR OG1 : rot -100:sc= -3.21! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 149:sc= -19.3! (180deg=-26.6!) USER MOD Single : A 27 LYS NZ :NH3+ 144:sc= -1.47 (180deg=-3.18) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= -3.95! (180deg=-4.26!) USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= -3.27! (180deg=-4.12!) USER MOD Single : A 44 ASN : amide:sc= -62.7! C(o=-63!,f=-61!) USER MOD Single : A 47 LYS NZ :NH3+ 157:sc= -0.992! (180deg=-1.47!) USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= -1.52 (180deg=-3.14!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= -11.7! (180deg=-12.5!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -7.11! C(o=-7.1!,f=-6.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -14.3! C(o=-14!,f=-9.1!) USER MOD Single : A 72 LYS NZ :NH3+ 151:sc= 0.735 (180deg=0.182) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -25.2! C(o=-25!,f=-15!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.47! C(o=-1.5!,f=-11!) USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= -0.96 (180deg=-1.58!) USER MOD Single : A 85 GLN : amide:sc= -3.89! K(o=-3.9!,f=-0.1) USER MOD Single : A 89 LYS NZ :NH3+ -155:sc= -0.07 (180deg=-1.38!) USER MOD Single : A 91 SER OG : rot 122:sc= -27.1! USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -11.6! C(o=-12!,f=-9.4!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.217 K(o=-0.22,f=1.2) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ -128:sc= -0.259 (180deg=-2.26!) USER MOD Single : A 117 HIS : no HD1:sc= -0.934 X(o=-0.93,f=-0.88) USER MOD Single : A 118 HIS : no HD1:sc=-0.00616 X(o=-0.0062,f=0) USER MOD Single : A 119 HIS : no HD1:sc= -2.12! C(o=-2.1!,f=-1.5!) USER MOD Single : A 121 SER OG : rot -67:sc= 0.997 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -7.510 -2.752 5.329 1.00 1.00 N ATOM 2 CA SER A 2 -8.330 -2.958 6.558 1.00 1.00 C ATOM 3 C SER A 2 -7.464 -2.782 7.808 1.00 1.00 C ATOM 4 O SER A 2 -7.673 -1.885 8.599 1.00 1.00 O ATOM 5 CB SER A 2 -8.842 -4.393 6.457 1.00 1.00 C ATOM 6 OG SER A 2 -8.095 -5.221 7.339 1.00 1.00 O ATOM 0 HA SER A 2 -9.146 -2.240 6.635 1.00 1.00 H new ATOM 0 HB2 SER A 2 -9.901 -4.432 6.712 1.00 1.00 H new ATOM 0 HB3 SER A 2 -8.747 -4.754 5.433 1.00 1.00 H new ATOM 0 HG SER A 2 -7.238 -5.453 6.923 1.00 1.00 H new ATOM 12 N ASN A 3 -6.491 -3.632 7.991 1.00 1.00 N ATOM 13 CA ASN A 3 -5.612 -3.511 9.190 1.00 1.00 C ATOM 14 C ASN A 3 -4.471 -2.529 8.911 1.00 1.00 C ATOM 15 O ASN A 3 -4.309 -1.541 9.599 1.00 1.00 O ATOM 16 CB ASN A 3 -5.063 -4.919 9.423 1.00 1.00 C ATOM 17 CG ASN A 3 -3.833 -4.843 10.329 1.00 1.00 C ATOM 18 OD1 ASN A 3 -3.583 -3.830 10.951 1.00 1.00 O ATOM 19 ND2 ASN A 3 -3.047 -5.881 10.430 1.00 1.00 N ATOM 0 H ASN A 3 -6.266 -4.404 7.364 1.00 1.00 H new ATOM 0 HA ASN A 3 -6.150 -3.135 10.060 1.00 1.00 H new ATOM 0 HB2 ASN A 3 -5.827 -5.548 9.881 1.00 1.00 H new ATOM 0 HB3 ASN A 3 -4.799 -5.380 8.471 1.00 1.00 H new ATOM 0 HD21 ASN A 3 -2.224 -5.841 11.031 1.00 1.00 H new ATOM 0 HD22 ASN A 3 -3.256 -6.732 9.908 1.00 1.00 H new ATOM 26 N GLN A 4 -3.681 -2.792 7.906 1.00 1.00 N ATOM 27 CA GLN A 4 -2.552 -1.873 7.584 1.00 1.00 C ATOM 28 C GLN A 4 -2.787 -1.199 6.230 1.00 1.00 C ATOM 29 O GLN A 4 -3.619 -1.619 5.452 1.00 1.00 O ATOM 30 CB GLN A 4 -1.316 -2.769 7.525 1.00 1.00 C ATOM 31 CG GLN A 4 -1.391 -3.818 8.636 1.00 1.00 C ATOM 32 CD GLN A 4 -0.240 -3.604 9.621 1.00 1.00 C ATOM 33 OE1 GLN A 4 0.276 -2.511 9.743 1.00 1.00 O ATOM 34 NE2 GLN A 4 0.187 -4.610 10.335 1.00 1.00 N ATOM 0 H GLN A 4 -3.768 -3.603 7.294 1.00 1.00 H new ATOM 0 HA GLN A 4 -2.446 -1.078 8.322 1.00 1.00 H new ATOM 0 HB2 GLN A 4 -1.254 -3.258 6.553 1.00 1.00 H new ATOM 0 HB3 GLN A 4 -0.413 -2.169 7.638 1.00 1.00 H new ATOM 0 HG2 GLN A 4 -2.346 -3.745 9.156 1.00 1.00 H new ATOM 0 HG3 GLN A 4 -1.336 -4.819 8.209 1.00 1.00 H new ATOM 0 HE21 GLN A 4 -0.246 -5.528 10.233 1.00 1.00 H new ATOM 0 HE22 GLN A 4 0.953 -4.478 10.995 1.00 1.00 H new ATOM 43 N ILE A 5 -2.055 -0.158 5.942 1.00 1.00 N ATOM 44 CA ILE A 5 -2.230 0.540 4.637 1.00 1.00 C ATOM 45 C ILE A 5 -0.900 0.566 3.877 1.00 1.00 C ATOM 46 O ILE A 5 0.122 0.953 4.407 1.00 1.00 O ATOM 47 CB ILE A 5 -2.677 1.954 5.006 1.00 1.00 C ATOM 48 CG1 ILE A 5 -4.078 2.205 4.443 1.00 1.00 C ATOM 49 CG2 ILE A 5 -1.702 2.973 4.415 1.00 1.00 C ATOM 50 CD1 ILE A 5 -4.391 3.701 4.495 1.00 1.00 C ATOM 0 H ILE A 5 -1.343 0.240 6.554 1.00 1.00 H new ATOM 0 HA ILE A 5 -2.953 0.045 3.989 1.00 1.00 H new ATOM 0 HB ILE A 5 -2.693 2.057 6.091 1.00 1.00 H new ATOM 0 HG12 ILE A 5 -4.138 1.846 3.415 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -4.817 1.648 5.019 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -2.024 3.980 4.680 1.00 1.00 H new ATOM 0 HG22 ILE A 5 -0.703 2.794 4.813 1.00 1.00 H new ATOM 0 HG23 ILE A 5 -1.683 2.872 3.330 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -5.389 3.878 4.094 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -4.349 4.046 5.528 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -3.659 4.247 3.900 1.00 1.00 H new ATOM 62 N TYR A 6 -0.906 0.152 2.639 1.00 1.00 N ATOM 63 CA TYR A 6 0.358 0.146 1.848 1.00 1.00 C ATOM 64 C TYR A 6 0.077 0.556 0.400 1.00 1.00 C ATOM 65 O TYR A 6 -1.058 0.609 -0.031 1.00 1.00 O ATOM 66 CB TYR A 6 0.857 -1.298 1.908 1.00 1.00 C ATOM 67 CG TYR A 6 1.309 -1.621 3.312 1.00 1.00 C ATOM 68 CD1 TYR A 6 0.431 -1.447 4.389 1.00 1.00 C ATOM 69 CD2 TYR A 6 2.607 -2.095 3.537 1.00 1.00 C ATOM 70 CE1 TYR A 6 0.851 -1.748 5.690 1.00 1.00 C ATOM 71 CE2 TYR A 6 3.027 -2.395 4.838 1.00 1.00 C ATOM 72 CZ TYR A 6 2.149 -2.222 5.915 1.00 1.00 C ATOM 73 OH TYR A 6 2.563 -2.518 7.198 1.00 1.00 O ATOM 0 H TYR A 6 -1.731 -0.182 2.141 1.00 1.00 H new ATOM 0 HA TYR A 6 1.094 0.848 2.241 1.00 1.00 H new ATOM 0 HB2 TYR A 6 0.063 -1.980 1.605 1.00 1.00 H new ATOM 0 HB3 TYR A 6 1.681 -1.438 1.209 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -0.570 -1.081 4.216 1.00 1.00 H new ATOM 0 HD2 TYR A 6 3.284 -2.229 2.707 1.00 1.00 H new ATOM 0 HE1 TYR A 6 0.174 -1.615 6.520 1.00 1.00 H new ATOM 0 HE2 TYR A 6 4.029 -2.760 5.011 1.00 1.00 H new ATOM 0 HH TYR A 6 3.490 -2.836 7.178 1.00 1.00 H new ATOM 83 N SER A 7 1.101 0.849 -0.353 1.00 1.00 N ATOM 84 CA SER A 7 0.890 1.257 -1.772 1.00 1.00 C ATOM 85 C SER A 7 1.310 0.132 -2.722 1.00 1.00 C ATOM 86 O SER A 7 2.334 -0.498 -2.542 1.00 1.00 O ATOM 87 CB SER A 7 1.785 2.479 -1.967 1.00 1.00 C ATOM 88 OG SER A 7 2.548 2.317 -3.156 1.00 1.00 O ATOM 0 H SER A 7 2.074 0.824 -0.048 1.00 1.00 H new ATOM 0 HA SER A 7 -0.157 1.474 -1.984 1.00 1.00 H new ATOM 0 HB2 SER A 7 1.178 3.382 -2.031 1.00 1.00 H new ATOM 0 HB3 SER A 7 2.447 2.600 -1.110 1.00 1.00 H new ATOM 0 HG SER A 7 3.460 2.644 -3.007 1.00 1.00 H new ATOM 94 N ALA A 8 0.527 -0.120 -3.735 1.00 1.00 N ATOM 95 CA ALA A 8 0.879 -1.199 -4.702 1.00 1.00 C ATOM 96 C ALA A 8 0.563 -0.747 -6.131 1.00 1.00 C ATOM 97 O ALA A 8 -0.383 -0.022 -6.367 1.00 1.00 O ATOM 98 CB ALA A 8 0.001 -2.386 -4.309 1.00 1.00 C ATOM 0 H ALA A 8 -0.342 0.375 -3.935 1.00 1.00 H new ATOM 0 HA ALA A 8 1.939 -1.451 -4.674 1.00 1.00 H new ATOM 0 HB1 ALA A 8 0.202 -3.224 -4.977 1.00 1.00 H new ATOM 0 HB2 ALA A 8 0.223 -2.678 -3.283 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -1.049 -2.104 -4.387 1.00 1.00 H new ATOM 104 N ARG A 9 1.347 -1.167 -7.085 1.00 1.00 N ATOM 105 CA ARG A 9 1.089 -0.759 -8.496 1.00 1.00 C ATOM 106 C ARG A 9 1.254 -1.959 -9.433 1.00 1.00 C ATOM 107 O ARG A 9 2.232 -2.679 -9.369 1.00 1.00 O ATOM 108 CB ARG A 9 2.143 0.306 -8.799 1.00 1.00 C ATOM 109 CG ARG A 9 3.235 -0.294 -9.687 1.00 1.00 C ATOM 110 CD ARG A 9 2.854 -0.116 -11.158 1.00 1.00 C ATOM 111 NE ARG A 9 3.466 -1.280 -11.857 1.00 1.00 N ATOM 112 CZ ARG A 9 3.769 -1.195 -13.123 1.00 1.00 C ATOM 113 NH1 ARG A 9 3.538 -0.090 -13.777 1.00 1.00 N ATOM 114 NH2 ARG A 9 4.306 -2.216 -13.735 1.00 1.00 N ATOM 0 H ARG A 9 2.155 -1.775 -6.949 1.00 1.00 H new ATOM 0 HA ARG A 9 0.076 -0.383 -8.638 1.00 1.00 H new ATOM 0 HB2 ARG A 9 1.681 1.158 -9.298 1.00 1.00 H new ATOM 0 HB3 ARG A 9 2.577 0.677 -7.871 1.00 1.00 H new ATOM 0 HG2 ARG A 9 4.189 0.193 -9.486 1.00 1.00 H new ATOM 0 HG3 ARG A 9 3.363 -1.352 -9.459 1.00 1.00 H new ATOM 0 HD2 ARG A 9 1.772 -0.102 -11.287 1.00 1.00 H new ATOM 0 HD3 ARG A 9 3.234 0.826 -11.553 1.00 1.00 H new ATOM 0 HE ARG A 9 3.648 -2.144 -11.346 1.00 1.00 H new ATOM 0 HH11 ARG A 9 3.120 0.708 -13.298 1.00 1.00 H new ATOM 0 HH12 ARG A 9 3.775 -0.024 -14.767 1.00 1.00 H new ATOM 0 HH21 ARG A 9 4.488 -3.079 -13.223 1.00 1.00 H new ATOM 0 HH22 ARG A 9 4.543 -2.150 -14.725 1.00 1.00 H new ATOM 127 N TYR A 10 0.306 -2.181 -10.302 1.00 1.00 N ATOM 128 CA TYR A 10 0.412 -3.336 -11.240 1.00 1.00 C ATOM 129 C TYR A 10 -0.186 -2.974 -12.603 1.00 1.00 C ATOM 130 O TYR A 10 -1.104 -2.183 -12.699 1.00 1.00 O ATOM 131 CB TYR A 10 -0.396 -4.454 -10.582 1.00 1.00 C ATOM 132 CG TYR A 10 0.388 -5.028 -9.425 1.00 1.00 C ATOM 133 CD1 TYR A 10 0.295 -4.438 -8.158 1.00 1.00 C ATOM 134 CD2 TYR A 10 1.205 -6.147 -9.619 1.00 1.00 C ATOM 135 CE1 TYR A 10 1.021 -4.970 -7.085 1.00 1.00 C ATOM 136 CE2 TYR A 10 1.930 -6.679 -8.546 1.00 1.00 C ATOM 137 CZ TYR A 10 1.839 -6.090 -7.280 1.00 1.00 C ATOM 138 OH TYR A 10 2.555 -6.613 -6.222 1.00 1.00 O ATOM 0 H TYR A 10 -0.536 -1.614 -10.403 1.00 1.00 H new ATOM 0 HA TYR A 10 1.447 -3.628 -11.417 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -1.353 -4.068 -10.231 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.616 -5.235 -11.310 1.00 1.00 H new ATOM 0 HD1 TYR A 10 -0.336 -3.574 -8.009 1.00 1.00 H new ATOM 0 HD2 TYR A 10 1.276 -6.600 -10.597 1.00 1.00 H new ATOM 0 HE1 TYR A 10 0.950 -4.517 -6.107 1.00 1.00 H new ATOM 0 HE2 TYR A 10 2.559 -7.544 -8.695 1.00 1.00 H new ATOM 0 HH TYR A 10 3.070 -7.389 -6.527 1.00 1.00 H new ATOM 148 N SER A 11 0.327 -3.548 -13.656 1.00 1.00 N ATOM 149 CA SER A 11 -0.212 -3.242 -15.014 1.00 1.00 C ATOM 150 C SER A 11 -0.166 -1.734 -15.280 1.00 1.00 C ATOM 151 O SER A 11 -1.101 -1.159 -15.800 1.00 1.00 O ATOM 152 CB SER A 11 -1.656 -3.738 -14.985 1.00 1.00 C ATOM 153 OG SER A 11 -2.501 -2.754 -15.566 1.00 1.00 O ATOM 0 H SER A 11 1.097 -4.217 -13.636 1.00 1.00 H new ATOM 0 HA SER A 11 0.368 -3.718 -15.804 1.00 1.00 H new ATOM 0 HB2 SER A 11 -1.741 -4.677 -15.532 1.00 1.00 H new ATOM 0 HB3 SER A 11 -1.964 -3.938 -13.959 1.00 1.00 H new ATOM 0 HG SER A 11 -2.501 -1.950 -15.005 1.00 1.00 H new ATOM 159 N GLY A 12 0.914 -1.091 -14.928 1.00 1.00 N ATOM 160 CA GLY A 12 1.015 0.377 -15.164 1.00 1.00 C ATOM 161 C GLY A 12 0.101 1.115 -14.186 1.00 1.00 C ATOM 162 O GLY A 12 0.171 2.318 -14.040 1.00 1.00 O ATOM 0 H GLY A 12 1.729 -1.518 -14.488 1.00 1.00 H new ATOM 0 HA2 GLY A 12 2.046 0.707 -15.034 1.00 1.00 H new ATOM 0 HA3 GLY A 12 0.732 0.611 -16.190 1.00 1.00 H new ATOM 166 N VAL A 13 -0.768 0.401 -13.523 1.00 1.00 N ATOM 167 CA VAL A 13 -1.702 1.054 -12.563 1.00 1.00 C ATOM 168 C VAL A 13 -1.060 1.159 -11.177 1.00 1.00 C ATOM 169 O VAL A 13 -0.227 0.357 -10.804 1.00 1.00 O ATOM 170 CB VAL A 13 -2.925 0.139 -12.519 1.00 1.00 C ATOM 171 CG1 VAL A 13 -3.408 -0.001 -11.074 1.00 1.00 C ATOM 172 CG2 VAL A 13 -4.044 0.742 -13.372 1.00 1.00 C ATOM 0 H VAL A 13 -0.871 -0.610 -13.606 1.00 1.00 H new ATOM 0 HA VAL A 13 -1.959 2.069 -12.867 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.657 -0.843 -12.909 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -4.280 -0.654 -11.044 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -2.613 -0.430 -10.464 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -3.676 0.981 -10.683 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -4.917 0.090 -13.341 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -4.311 1.724 -12.981 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -3.702 0.842 -14.402 1.00 1.00 H new ATOM 182 N ASP A 14 -1.461 2.133 -10.406 1.00 1.00 N ATOM 183 CA ASP A 14 -0.901 2.286 -9.034 1.00 1.00 C ATOM 184 C ASP A 14 -1.979 1.942 -8.005 1.00 1.00 C ATOM 185 O ASP A 14 -3.044 2.526 -7.997 1.00 1.00 O ATOM 186 CB ASP A 14 -0.502 3.760 -8.927 1.00 1.00 C ATOM 187 CG ASP A 14 1.023 3.874 -8.870 1.00 1.00 C ATOM 188 OD1 ASP A 14 1.655 3.614 -9.880 1.00 1.00 O ATOM 189 OD2 ASP A 14 1.532 4.218 -7.816 1.00 1.00 O ATOM 0 H ASP A 14 -2.156 2.832 -10.669 1.00 1.00 H new ATOM 0 HA ASP A 14 -0.052 1.628 -8.849 1.00 1.00 H new ATOM 0 HB2 ASP A 14 -0.887 4.315 -9.783 1.00 1.00 H new ATOM 0 HB3 ASP A 14 -0.944 4.203 -8.035 1.00 1.00 H new ATOM 194 N VAL A 15 -1.726 0.996 -7.144 1.00 1.00 N ATOM 195 CA VAL A 15 -2.761 0.626 -6.137 1.00 1.00 C ATOM 196 C VAL A 15 -2.138 0.448 -4.750 1.00 1.00 C ATOM 197 O VAL A 15 -0.934 0.428 -4.591 1.00 1.00 O ATOM 198 CB VAL A 15 -3.338 -0.699 -6.635 1.00 1.00 C ATOM 199 CG1 VAL A 15 -2.507 -1.206 -7.815 1.00 1.00 C ATOM 200 CG2 VAL A 15 -3.297 -1.729 -5.505 1.00 1.00 C ATOM 0 H VAL A 15 -0.856 0.467 -7.093 1.00 1.00 H new ATOM 0 HA VAL A 15 -3.523 1.399 -6.037 1.00 1.00 H new ATOM 0 HB VAL A 15 -4.369 -0.549 -6.954 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -2.918 -2.151 -8.170 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -2.534 -0.473 -8.621 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -1.476 -1.356 -7.496 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -3.708 -2.674 -5.859 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -2.265 -1.879 -5.186 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -3.888 -1.369 -4.663 1.00 1.00 H new ATOM 210 N TYR A 16 -2.963 0.312 -3.747 1.00 1.00 N ATOM 211 CA TYR A 16 -2.448 0.125 -2.361 1.00 1.00 C ATOM 212 C TYR A 16 -2.844 -1.263 -1.854 1.00 1.00 C ATOM 213 O TYR A 16 -3.842 -1.816 -2.265 1.00 1.00 O ATOM 214 CB TYR A 16 -3.128 1.219 -1.537 1.00 1.00 C ATOM 215 CG TYR A 16 -3.294 2.456 -2.387 1.00 1.00 C ATOM 216 CD1 TYR A 16 -2.372 2.733 -3.403 1.00 1.00 C ATOM 217 CD2 TYR A 16 -4.367 3.324 -2.160 1.00 1.00 C ATOM 218 CE1 TYR A 16 -2.524 3.879 -4.192 1.00 1.00 C ATOM 219 CE2 TYR A 16 -4.520 4.471 -2.949 1.00 1.00 C ATOM 220 CZ TYR A 16 -3.597 4.748 -3.966 1.00 1.00 C ATOM 221 OH TYR A 16 -3.748 5.877 -4.745 1.00 1.00 O ATOM 0 H TYR A 16 -3.980 0.323 -3.830 1.00 1.00 H new ATOM 0 HA TYR A 16 -1.362 0.194 -2.299 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -4.100 0.873 -1.185 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -2.532 1.448 -0.654 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -1.544 2.063 -3.578 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -5.078 3.110 -1.376 1.00 1.00 H new ATOM 0 HE1 TYR A 16 -1.812 4.093 -4.976 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -5.349 5.141 -2.774 1.00 1.00 H new ATOM 0 HH TYR A 16 -4.652 6.237 -4.627 1.00 1.00 H new ATOM 231 N GLU A 17 -2.070 -1.840 -0.977 1.00 1.00 N ATOM 232 CA GLU A 17 -2.418 -3.200 -0.473 1.00 1.00 C ATOM 233 C GLU A 17 -2.640 -3.178 1.040 1.00 1.00 C ATOM 234 O GLU A 17 -1.759 -2.839 1.806 1.00 1.00 O ATOM 235 CB GLU A 17 -1.211 -4.071 -0.825 1.00 1.00 C ATOM 236 CG GLU A 17 -0.123 -3.203 -1.460 1.00 1.00 C ATOM 237 CD GLU A 17 1.034 -3.032 -0.475 1.00 1.00 C ATOM 238 OE1 GLU A 17 1.256 -3.937 0.312 1.00 1.00 O ATOM 239 OE2 GLU A 17 1.681 -1.999 -0.525 1.00 1.00 O ATOM 0 H GLU A 17 -1.218 -1.434 -0.590 1.00 1.00 H new ATOM 0 HA GLU A 17 -3.341 -3.575 -0.916 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -0.826 -4.557 0.071 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -1.508 -4.862 -1.514 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.234 -3.665 -2.380 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -0.531 -2.229 -1.730 1.00 1.00 H new ATOM 246 N PHE A 18 -3.813 -3.550 1.475 1.00 1.00 N ATOM 247 CA PHE A 18 -4.105 -3.567 2.936 1.00 1.00 C ATOM 248 C PHE A 18 -4.823 -4.870 3.302 1.00 1.00 C ATOM 249 O PHE A 18 -5.676 -5.342 2.576 1.00 1.00 O ATOM 250 CB PHE A 18 -5.019 -2.365 3.177 1.00 1.00 C ATOM 251 CG PHE A 18 -5.169 -1.580 1.897 1.00 1.00 C ATOM 252 CD1 PHE A 18 -4.035 -1.211 1.165 1.00 1.00 C ATOM 253 CD2 PHE A 18 -6.444 -1.222 1.443 1.00 1.00 C ATOM 254 CE1 PHE A 18 -4.175 -0.483 -0.022 1.00 1.00 C ATOM 255 CE2 PHE A 18 -6.584 -0.493 0.255 1.00 1.00 C ATOM 256 CZ PHE A 18 -5.450 -0.124 -0.478 1.00 1.00 C ATOM 0 H PHE A 18 -4.586 -3.844 0.878 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.201 -3.512 3.543 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -5.995 -2.702 3.526 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.603 -1.730 3.959 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -3.052 -1.488 1.516 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -7.319 -1.508 2.008 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -3.300 -0.198 -0.587 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -7.567 -0.216 -0.095 1.00 1.00 H new ATOM 0 HZ PHE A 18 -5.558 0.437 -1.394 1.00 1.00 H new ATOM 266 N ILE A 19 -4.484 -5.456 4.416 1.00 1.00 N ATOM 267 CA ILE A 19 -5.148 -6.730 4.815 1.00 1.00 C ATOM 268 C ILE A 19 -6.528 -6.448 5.410 1.00 1.00 C ATOM 269 O ILE A 19 -6.689 -5.591 6.256 1.00 1.00 O ATOM 270 CB ILE A 19 -4.226 -7.347 5.866 1.00 1.00 C ATOM 271 CG1 ILE A 19 -3.902 -8.790 5.474 1.00 1.00 C ATOM 272 CG2 ILE A 19 -4.922 -7.334 7.229 1.00 1.00 C ATOM 273 CD1 ILE A 19 -5.131 -9.671 5.709 1.00 1.00 C ATOM 0 H ILE A 19 -3.778 -5.110 5.066 1.00 1.00 H new ATOM 0 HA ILE A 19 -5.301 -7.396 3.966 1.00 1.00 H new ATOM 0 HB ILE A 19 -3.304 -6.769 5.924 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -3.604 -8.835 4.427 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -3.060 -9.157 6.061 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -4.264 -7.774 7.978 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -5.154 -6.307 7.509 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -5.844 -7.912 7.172 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -4.900 -10.699 5.430 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -5.409 -9.635 6.762 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -5.961 -9.308 5.102 1.00 1.00 H new ATOM 285 N HIS A 20 -7.523 -7.168 4.975 1.00 1.00 N ATOM 286 CA HIS A 20 -8.896 -6.948 5.514 1.00 1.00 C ATOM 287 C HIS A 20 -9.666 -8.270 5.530 1.00 1.00 C ATOM 288 O HIS A 20 -9.104 -9.323 5.757 1.00 1.00 O ATOM 289 CB HIS A 20 -9.548 -5.958 4.549 1.00 1.00 C ATOM 290 CG HIS A 20 -10.553 -5.121 5.292 1.00 1.00 C ATOM 291 ND1 HIS A 20 -11.517 -5.681 6.115 1.00 1.00 N ATOM 292 CD2 HIS A 20 -10.757 -3.766 5.344 1.00 1.00 C ATOM 293 CE1 HIS A 20 -12.250 -4.674 6.624 1.00 1.00 C ATOM 294 NE2 HIS A 20 -11.829 -3.485 6.186 1.00 1.00 N ATOM 0 H HIS A 20 -7.446 -7.900 4.269 1.00 1.00 H new ATOM 0 HA HIS A 20 -8.886 -6.569 6.536 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -8.788 -5.319 4.099 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -10.036 -6.495 3.735 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -11.647 -6.675 6.301 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -10.174 -3.029 4.812 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -13.078 -4.811 7.304 1.00 1.00 H new ATOM 302 N SER A 21 -10.946 -8.228 5.280 1.00 1.00 N ATOM 303 CA SER A 21 -11.739 -9.487 5.273 1.00 1.00 C ATOM 304 C SER A 21 -11.262 -10.391 4.136 1.00 1.00 C ATOM 305 O SER A 21 -11.236 -11.600 4.256 1.00 1.00 O ATOM 306 CB SER A 21 -13.184 -9.046 5.039 1.00 1.00 C ATOM 307 OG SER A 21 -13.693 -8.454 6.226 1.00 1.00 O ATOM 0 H SER A 21 -11.475 -7.379 5.081 1.00 1.00 H new ATOM 0 HA SER A 21 -11.635 -10.051 6.200 1.00 1.00 H new ATOM 0 HB2 SER A 21 -13.230 -8.334 4.215 1.00 1.00 H new ATOM 0 HB3 SER A 21 -13.796 -9.902 4.755 1.00 1.00 H new ATOM 0 HG SER A 21 -14.357 -9.051 6.630 1.00 1.00 H new ATOM 313 N THR A 22 -10.868 -9.809 3.036 1.00 1.00 N ATOM 314 CA THR A 22 -10.373 -10.626 1.892 1.00 1.00 C ATOM 315 C THR A 22 -8.848 -10.701 1.941 1.00 1.00 C ATOM 316 O THR A 22 -8.202 -11.087 0.986 1.00 1.00 O ATOM 317 CB THR A 22 -10.838 -9.882 0.640 1.00 1.00 C ATOM 318 OG1 THR A 22 -11.976 -10.538 0.097 1.00 1.00 O ATOM 319 CG2 THR A 22 -9.712 -9.868 -0.395 1.00 1.00 C ATOM 0 H THR A 22 -10.868 -8.801 2.880 1.00 1.00 H new ATOM 0 HA THR A 22 -10.749 -11.649 1.912 1.00 1.00 H new ATOM 0 HB THR A 22 -11.100 -8.857 0.902 1.00 1.00 H new ATOM 0 HG1 THR A 22 -11.701 -11.099 -0.658 1.00 1.00 H new ATOM 0 HG21 THR A 22 -10.044 -9.337 -1.287 1.00 1.00 H new ATOM 0 HG22 THR A 22 -8.840 -9.365 0.023 1.00 1.00 H new ATOM 0 HG23 THR A 22 -9.448 -10.892 -0.659 1.00 1.00 H new ATOM 327 N GLY A 23 -8.268 -10.315 3.043 1.00 1.00 N ATOM 328 CA GLY A 23 -6.785 -10.342 3.154 1.00 1.00 C ATOM 329 C GLY A 23 -6.236 -8.973 2.754 1.00 1.00 C ATOM 330 O GLY A 23 -6.500 -7.977 3.399 1.00 1.00 O ATOM 0 H GLY A 23 -8.759 -9.982 3.873 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -6.487 -10.585 4.174 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -6.372 -11.117 2.509 1.00 1.00 H new ATOM 334 N SER A 24 -5.482 -8.910 1.692 1.00 1.00 N ATOM 335 CA SER A 24 -4.924 -7.601 1.249 1.00 1.00 C ATOM 336 C SER A 24 -5.923 -6.879 0.343 1.00 1.00 C ATOM 337 O SER A 24 -6.575 -7.483 -0.486 1.00 1.00 O ATOM 338 CB SER A 24 -3.655 -7.954 0.474 1.00 1.00 C ATOM 339 OG SER A 24 -2.580 -8.126 1.388 1.00 1.00 O ATOM 0 H SER A 24 -5.228 -9.709 1.111 1.00 1.00 H new ATOM 0 HA SER A 24 -4.718 -6.935 2.087 1.00 1.00 H new ATOM 0 HB2 SER A 24 -3.808 -8.867 -0.101 1.00 1.00 H new ATOM 0 HB3 SER A 24 -3.419 -7.164 -0.239 1.00 1.00 H new ATOM 0 HG SER A 24 -1.765 -8.354 0.895 1.00 1.00 H new ATOM 345 N ILE A 25 -6.049 -5.590 0.495 1.00 1.00 N ATOM 346 CA ILE A 25 -7.006 -4.825 -0.356 1.00 1.00 C ATOM 347 C ILE A 25 -6.241 -3.870 -1.275 1.00 1.00 C ATOM 348 O ILE A 25 -5.466 -3.051 -0.823 1.00 1.00 O ATOM 349 CB ILE A 25 -7.870 -4.039 0.630 1.00 1.00 C ATOM 350 CG1 ILE A 25 -8.211 -4.928 1.828 1.00 1.00 C ATOM 351 CG2 ILE A 25 -9.161 -3.597 -0.061 1.00 1.00 C ATOM 352 CD1 ILE A 25 -8.492 -6.352 1.345 1.00 1.00 C ATOM 0 H ILE A 25 -5.530 -5.031 1.173 1.00 1.00 H new ATOM 0 HA ILE A 25 -7.604 -5.475 -0.995 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.323 -3.160 0.972 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -7.385 -4.930 2.539 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -9.081 -4.532 2.352 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -9.777 -3.037 0.642 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -8.918 -2.964 -0.915 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -9.709 -4.475 -0.404 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -8.735 -6.985 2.199 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -9.332 -6.342 0.651 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -7.610 -6.746 0.841 1.00 1.00 H new ATOM 364 N MET A 26 -6.449 -3.964 -2.560 1.00 1.00 N ATOM 365 CA MET A 26 -5.724 -3.054 -3.491 1.00 1.00 C ATOM 366 C MET A 26 -6.693 -2.062 -4.141 1.00 1.00 C ATOM 367 O MET A 26 -7.672 -2.441 -4.750 1.00 1.00 O ATOM 368 CB MET A 26 -5.115 -3.976 -4.547 1.00 1.00 C ATOM 369 CG MET A 26 -3.618 -4.143 -4.278 1.00 1.00 C ATOM 370 SD MET A 26 -2.872 -5.125 -5.604 1.00 1.00 S ATOM 371 CE MET A 26 -1.173 -4.544 -5.385 1.00 1.00 C ATOM 0 H MET A 26 -7.085 -4.627 -3.003 1.00 1.00 H new ATOM 0 HA MET A 26 -4.968 -2.460 -2.977 1.00 1.00 H new ATOM 0 HB2 MET A 26 -5.609 -4.947 -4.526 1.00 1.00 H new ATOM 0 HB3 MET A 26 -5.272 -3.560 -5.542 1.00 1.00 H new ATOM 0 HG2 MET A 26 -3.137 -3.167 -4.219 1.00 1.00 H new ATOM 0 HG3 MET A 26 -3.463 -4.633 -3.317 1.00 1.00 H new ATOM 0 HE1 MET A 26 -0.479 -5.337 -5.662 1.00 1.00 H new ATOM 0 HE2 MET A 26 -1.001 -3.674 -6.019 1.00 1.00 H new ATOM 0 HE3 MET A 26 -1.014 -4.270 -4.342 1.00 1.00 H new ATOM 381 N LYS A 27 -6.423 -0.793 -4.011 1.00 1.00 N ATOM 382 CA LYS A 27 -7.325 0.230 -4.615 1.00 1.00 C ATOM 383 C LYS A 27 -6.622 0.939 -5.776 1.00 1.00 C ATOM 384 O LYS A 27 -5.420 0.851 -5.934 1.00 1.00 O ATOM 385 CB LYS A 27 -7.618 1.216 -3.484 1.00 1.00 C ATOM 386 CG LYS A 27 -7.579 2.645 -4.027 1.00 1.00 C ATOM 387 CD LYS A 27 -7.488 3.632 -2.862 1.00 1.00 C ATOM 388 CE LYS A 27 -7.717 2.889 -1.544 1.00 1.00 C ATOM 389 NZ LYS A 27 -9.197 2.826 -1.392 1.00 1.00 N ATOM 0 H LYS A 27 -5.616 -0.419 -3.512 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.236 -0.211 -5.019 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -8.596 1.007 -3.050 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -6.884 1.099 -2.687 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -6.723 2.770 -4.691 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -8.473 2.845 -4.618 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -6.510 4.114 -2.855 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -8.231 4.421 -2.981 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -7.280 1.891 -1.572 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -7.256 3.416 -0.708 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -9.463 1.920 -0.955 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -9.518 3.609 -0.788 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -9.646 2.904 -2.327 1.00 1.00 H new ATOM 402 N ARG A 28 -7.362 1.639 -6.592 1.00 1.00 N ATOM 403 CA ARG A 28 -6.736 2.352 -7.743 1.00 1.00 C ATOM 404 C ARG A 28 -6.240 3.733 -7.303 1.00 1.00 C ATOM 405 O ARG A 28 -6.958 4.494 -6.686 1.00 1.00 O ATOM 406 CB ARG A 28 -7.852 2.486 -8.780 1.00 1.00 C ATOM 407 CG ARG A 28 -7.353 1.978 -10.134 1.00 1.00 C ATOM 408 CD ARG A 28 -8.254 2.518 -11.247 1.00 1.00 C ATOM 409 NE ARG A 28 -7.726 1.909 -12.498 1.00 1.00 N ATOM 410 CZ ARG A 28 -8.417 0.994 -13.122 1.00 1.00 C ATOM 411 NH1 ARG A 28 -9.573 0.613 -12.647 1.00 1.00 N ATOM 412 NH2 ARG A 28 -7.955 0.460 -14.218 1.00 1.00 N ATOM 0 H ARG A 28 -8.373 1.748 -6.512 1.00 1.00 H new ATOM 0 HA ARG A 28 -5.873 1.818 -8.141 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -8.726 1.916 -8.465 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -8.163 3.527 -8.862 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -6.324 2.298 -10.297 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -7.354 0.888 -10.148 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -9.295 2.241 -11.082 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -8.217 3.606 -11.292 1.00 1.00 H new ATOM 0 HE ARG A 28 -6.823 2.207 -12.868 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -9.935 1.030 -11.789 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -10.114 -0.102 -13.134 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -7.052 0.757 -14.589 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -8.496 -0.255 -14.704 1.00 1.00 H new ATOM 425 N LYS A 29 -5.016 4.059 -7.616 1.00 1.00 N ATOM 426 CA LYS A 29 -4.471 5.388 -7.218 1.00 1.00 C ATOM 427 C LYS A 29 -5.184 6.508 -7.982 1.00 1.00 C ATOM 428 O LYS A 29 -5.479 7.553 -7.439 1.00 1.00 O ATOM 429 CB LYS A 29 -2.993 5.340 -7.597 1.00 1.00 C ATOM 430 CG LYS A 29 -2.432 6.762 -7.651 1.00 1.00 C ATOM 431 CD LYS A 29 -1.339 6.840 -8.720 1.00 1.00 C ATOM 432 CE LYS A 29 -0.275 7.854 -8.290 1.00 1.00 C ATOM 433 NZ LYS A 29 -0.210 8.837 -9.406 1.00 1.00 N ATOM 0 H LYS A 29 -4.369 3.462 -8.131 1.00 1.00 H new ATOM 0 HA LYS A 29 -4.615 5.589 -6.156 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -2.439 4.747 -6.869 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.871 4.853 -8.564 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -3.229 7.470 -7.878 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -2.025 7.041 -6.679 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -0.885 5.859 -8.863 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -1.771 7.134 -9.676 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -0.547 8.338 -7.352 1.00 1.00 H new ATOM 0 HE3 LYS A 29 0.690 7.372 -8.132 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 0.499 9.566 -9.186 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 0.057 8.348 -10.284 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -1.141 9.285 -9.529 1.00 1.00 H new ATOM 446 N LYS A 30 -5.459 6.298 -9.240 1.00 1.00 N ATOM 447 CA LYS A 30 -6.149 7.351 -10.039 1.00 1.00 C ATOM 448 C LYS A 30 -7.326 7.930 -9.250 1.00 1.00 C ATOM 449 O LYS A 30 -7.389 9.116 -8.992 1.00 1.00 O ATOM 450 CB LYS A 30 -6.646 6.634 -11.294 1.00 1.00 C ATOM 451 CG LYS A 30 -5.822 5.366 -11.520 1.00 1.00 C ATOM 452 CD LYS A 30 -5.565 5.181 -13.017 1.00 1.00 C ATOM 453 CE LYS A 30 -4.208 5.789 -13.380 1.00 1.00 C ATOM 454 NZ LYS A 30 -4.041 6.941 -12.451 1.00 1.00 N ATOM 0 H LYS A 30 -5.236 5.443 -9.750 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.489 8.184 -10.280 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -7.701 6.380 -11.187 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -6.563 7.293 -12.158 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -4.875 5.435 -10.984 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -6.351 4.500 -11.122 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -5.581 4.121 -13.271 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -6.356 5.659 -13.595 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -3.404 5.063 -13.257 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -4.187 6.114 -14.420 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -3.211 7.499 -12.736 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -4.890 7.541 -12.486 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -3.905 6.589 -11.482 1.00 1.00 H new ATOM 467 N ASP A 31 -8.259 7.104 -8.865 1.00 1.00 N ATOM 468 CA ASP A 31 -9.431 7.609 -8.093 1.00 1.00 C ATOM 469 C ASP A 31 -9.443 7.002 -6.688 1.00 1.00 C ATOM 470 O ASP A 31 -10.421 7.090 -5.972 1.00 1.00 O ATOM 471 CB ASP A 31 -10.654 7.150 -8.887 1.00 1.00 C ATOM 472 CG ASP A 31 -11.613 8.327 -9.074 1.00 1.00 C ATOM 473 OD1 ASP A 31 -11.145 9.454 -9.064 1.00 1.00 O ATOM 474 OD2 ASP A 31 -12.798 8.081 -9.225 1.00 1.00 O ATOM 0 H ASP A 31 -8.261 6.101 -9.051 1.00 1.00 H new ATOM 0 HA ASP A 31 -9.408 8.692 -7.969 1.00 1.00 H new ATOM 0 HB2 ASP A 31 -10.346 6.761 -9.857 1.00 1.00 H new ATOM 0 HB3 ASP A 31 -11.157 6.337 -8.363 1.00 1.00 H new ATOM 479 N ASP A 32 -8.366 6.384 -6.288 1.00 1.00 N ATOM 480 CA ASP A 32 -8.320 5.771 -4.929 1.00 1.00 C ATOM 481 C ASP A 32 -9.509 4.826 -4.737 1.00 1.00 C ATOM 482 O ASP A 32 -10.234 4.913 -3.765 1.00 1.00 O ATOM 483 CB ASP A 32 -8.410 6.949 -3.959 1.00 1.00 C ATOM 484 CG ASP A 32 -7.555 8.106 -4.481 1.00 1.00 C ATOM 485 OD1 ASP A 32 -7.787 8.530 -5.601 1.00 1.00 O ATOM 486 OD2 ASP A 32 -6.683 8.548 -3.751 1.00 1.00 O ATOM 0 H ASP A 32 -7.516 6.277 -6.842 1.00 1.00 H new ATOM 0 HA ASP A 32 -7.416 5.182 -4.771 1.00 1.00 H new ATOM 0 HB2 ASP A 32 -9.447 7.268 -3.853 1.00 1.00 H new ATOM 0 HB3 ASP A 32 -8.067 6.646 -2.970 1.00 1.00 H new ATOM 491 N TRP A 33 -9.715 3.922 -5.656 1.00 1.00 N ATOM 492 CA TRP A 33 -10.857 2.973 -5.526 1.00 1.00 C ATOM 493 C TRP A 33 -10.495 1.842 -4.558 1.00 1.00 C ATOM 494 O TRP A 33 -9.336 1.577 -4.306 1.00 1.00 O ATOM 495 CB TRP A 33 -11.080 2.422 -6.935 1.00 1.00 C ATOM 496 CG TRP A 33 -10.964 3.535 -7.928 1.00 1.00 C ATOM 497 CD1 TRP A 33 -9.824 4.199 -8.222 1.00 1.00 C ATOM 498 CD2 TRP A 33 -12.007 4.120 -8.762 1.00 1.00 C ATOM 499 NE1 TRP A 33 -10.099 5.156 -9.183 1.00 1.00 N ATOM 500 CE2 TRP A 33 -11.430 5.147 -9.548 1.00 1.00 C ATOM 501 CE3 TRP A 33 -13.381 3.863 -8.911 1.00 1.00 C ATOM 502 CZ2 TRP A 33 -12.192 5.892 -10.449 1.00 1.00 C ATOM 503 CZ3 TRP A 33 -14.150 4.610 -9.818 1.00 1.00 C ATOM 504 CH2 TRP A 33 -13.557 5.623 -10.585 1.00 1.00 C ATOM 0 H TRP A 33 -9.142 3.800 -6.491 1.00 1.00 H new ATOM 0 HA TRP A 33 -11.752 3.455 -5.132 1.00 1.00 H new ATOM 0 HB2 TRP A 33 -10.346 1.646 -7.154 1.00 1.00 H new ATOM 0 HB3 TRP A 33 -12.064 1.959 -7.005 1.00 1.00 H new ATOM 0 HD1 TRP A 33 -8.857 4.013 -7.779 1.00 1.00 H new ATOM 0 HE1 TRP A 33 -9.403 5.791 -9.574 1.00 1.00 H new ATOM 0 HE3 TRP A 33 -13.848 3.086 -8.324 1.00 1.00 H new ATOM 0 HZ2 TRP A 33 -11.730 6.671 -11.037 1.00 1.00 H new ATOM 0 HZ3 TRP A 33 -15.205 4.403 -9.925 1.00 1.00 H new ATOM 0 HH2 TRP A 33 -14.154 6.195 -11.280 1.00 1.00 H new ATOM 515 N VAL A 34 -11.476 1.177 -4.012 1.00 1.00 N ATOM 516 CA VAL A 34 -11.184 0.067 -3.060 1.00 1.00 C ATOM 517 C VAL A 34 -11.991 -1.178 -3.436 1.00 1.00 C ATOM 518 O VAL A 34 -13.094 -1.087 -3.936 1.00 1.00 O ATOM 519 CB VAL A 34 -11.617 0.597 -1.694 1.00 1.00 C ATOM 520 CG1 VAL A 34 -13.144 0.581 -1.600 1.00 1.00 C ATOM 521 CG2 VAL A 34 -11.032 -0.291 -0.593 1.00 1.00 C ATOM 0 H VAL A 34 -12.466 1.354 -4.183 1.00 1.00 H new ATOM 0 HA VAL A 34 -10.133 -0.223 -3.070 1.00 1.00 H new ATOM 0 HB VAL A 34 -11.255 1.618 -1.571 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -13.453 0.959 -0.625 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -13.563 1.212 -2.383 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -13.505 -0.440 -1.724 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -11.341 0.087 0.382 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -11.394 -1.311 -0.718 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -9.944 -0.282 -0.658 1.00 1.00 H new ATOM 531 N ASN A 35 -11.450 -2.341 -3.197 1.00 1.00 N ATOM 532 CA ASN A 35 -12.185 -3.592 -3.540 1.00 1.00 C ATOM 533 C ASN A 35 -13.469 -3.697 -2.713 1.00 1.00 C ATOM 534 O ASN A 35 -13.449 -4.092 -1.564 1.00 1.00 O ATOM 535 CB ASN A 35 -11.222 -4.725 -3.183 1.00 1.00 C ATOM 536 CG ASN A 35 -12.009 -6.020 -2.977 1.00 1.00 C ATOM 537 OD1 ASN A 35 -13.220 -6.000 -2.873 1.00 1.00 O ATOM 538 ND2 ASN A 35 -11.367 -7.155 -2.911 1.00 1.00 N ATOM 0 H ASN A 35 -10.530 -2.479 -2.779 1.00 1.00 H new ATOM 0 HA ASN A 35 -12.482 -3.623 -4.588 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -10.488 -4.856 -3.978 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -10.670 -4.475 -2.277 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -11.882 -8.025 -2.772 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -10.351 -7.172 -2.998 1.00 1.00 H new ATOM 545 N ALA A 36 -14.586 -3.344 -3.288 1.00 1.00 N ATOM 546 CA ALA A 36 -15.871 -3.423 -2.536 1.00 1.00 C ATOM 547 C ALA A 36 -15.870 -4.636 -1.601 1.00 1.00 C ATOM 548 O ALA A 36 -16.609 -4.687 -0.638 1.00 1.00 O ATOM 549 CB ALA A 36 -16.950 -3.575 -3.608 1.00 1.00 C ATOM 0 H ALA A 36 -14.665 -3.004 -4.246 1.00 1.00 H new ATOM 0 HA ALA A 36 -16.035 -2.544 -1.912 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -17.929 -3.640 -3.133 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -16.926 -2.712 -4.273 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -16.765 -4.482 -4.184 1.00 1.00 H new ATOM 555 N THR A 37 -15.042 -5.611 -1.868 1.00 1.00 N ATOM 556 CA THR A 37 -15.001 -6.808 -0.980 1.00 1.00 C ATOM 557 C THR A 37 -14.550 -6.393 0.420 1.00 1.00 C ATOM 558 O THR A 37 -15.214 -6.661 1.402 1.00 1.00 O ATOM 559 CB THR A 37 -13.981 -7.752 -1.616 1.00 1.00 C ATOM 560 OG1 THR A 37 -14.297 -7.932 -2.990 1.00 1.00 O ATOM 561 CG2 THR A 37 -14.024 -9.102 -0.898 1.00 1.00 C ATOM 0 H THR A 37 -14.396 -5.630 -2.657 1.00 1.00 H new ATOM 0 HA THR A 37 -15.976 -7.284 -0.880 1.00 1.00 H new ATOM 0 HB THR A 37 -12.982 -7.326 -1.528 1.00 1.00 H new ATOM 0 HG1 THR A 37 -13.991 -7.154 -3.501 1.00 1.00 H new ATOM 0 HG21 THR A 37 -13.297 -9.778 -1.350 1.00 1.00 H new ATOM 0 HG22 THR A 37 -13.783 -8.962 0.156 1.00 1.00 H new ATOM 0 HG23 THR A 37 -15.022 -9.530 -0.988 1.00 1.00 H new ATOM 569 N HIS A 38 -13.436 -5.722 0.519 1.00 1.00 N ATOM 570 CA HIS A 38 -12.961 -5.273 1.856 1.00 1.00 C ATOM 571 C HIS A 38 -14.039 -4.399 2.494 1.00 1.00 C ATOM 572 O HIS A 38 -14.196 -4.356 3.698 1.00 1.00 O ATOM 573 CB HIS A 38 -11.695 -4.461 1.581 1.00 1.00 C ATOM 574 CG HIS A 38 -11.808 -3.115 2.242 1.00 1.00 C ATOM 575 ND1 HIS A 38 -10.776 -2.570 2.989 1.00 1.00 N ATOM 576 CD2 HIS A 38 -12.824 -2.193 2.279 1.00 1.00 C ATOM 577 CE1 HIS A 38 -11.190 -1.370 3.438 1.00 1.00 C ATOM 578 NE2 HIS A 38 -12.432 -1.092 3.035 1.00 1.00 N ATOM 0 H HIS A 38 -12.836 -5.466 -0.266 1.00 1.00 H new ATOM 0 HA HIS A 38 -12.758 -6.099 2.537 1.00 1.00 H new ATOM 0 HB2 HIS A 38 -10.821 -4.991 1.959 1.00 1.00 H new ATOM 0 HB3 HIS A 38 -11.554 -4.340 0.507 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -13.783 -2.305 1.795 1.00 1.00 H new ATOM 0 HE1 HIS A 38 -10.590 -0.712 4.050 1.00 1.00 H new ATOM 0 HE2 HIS A 38 -12.976 -0.253 3.237 1.00 1.00 H new ATOM 586 N ILE A 39 -14.793 -3.711 1.681 1.00 1.00 N ATOM 587 CA ILE A 39 -15.881 -2.842 2.209 1.00 1.00 C ATOM 588 C ILE A 39 -17.179 -3.647 2.302 1.00 1.00 C ATOM 589 O ILE A 39 -17.845 -3.661 3.318 1.00 1.00 O ATOM 590 CB ILE A 39 -16.017 -1.722 1.179 1.00 1.00 C ATOM 591 CG1 ILE A 39 -15.027 -0.602 1.510 1.00 1.00 C ATOM 592 CG2 ILE A 39 -17.441 -1.167 1.207 1.00 1.00 C ATOM 593 CD1 ILE A 39 -13.952 -0.539 0.424 1.00 1.00 C ATOM 0 H ILE A 39 -14.700 -3.714 0.665 1.00 1.00 H new ATOM 0 HA ILE A 39 -15.668 -2.455 3.205 1.00 1.00 H new ATOM 0 HB ILE A 39 -15.803 -2.117 0.186 1.00 1.00 H new ATOM 0 HG12 ILE A 39 -15.549 0.352 1.576 1.00 1.00 H new ATOM 0 HG13 ILE A 39 -14.568 -0.783 2.482 1.00 1.00 H new ATOM 0 HG21 ILE A 39 -17.535 -0.368 0.471 1.00 1.00 H new ATOM 0 HG22 ILE A 39 -18.147 -1.963 0.970 1.00 1.00 H new ATOM 0 HG23 ILE A 39 -17.659 -0.773 2.200 1.00 1.00 H new ATOM 0 HD11 ILE A 39 -13.246 0.258 0.657 1.00 1.00 H new ATOM 0 HD12 ILE A 39 -13.423 -1.491 0.380 1.00 1.00 H new ATOM 0 HD13 ILE A 39 -14.420 -0.339 -0.540 1.00 1.00 H new ATOM 605 N LEU A 40 -17.536 -4.326 1.245 1.00 1.00 N ATOM 606 CA LEU A 40 -18.784 -5.141 1.261 1.00 1.00 C ATOM 607 C LEU A 40 -18.474 -6.565 1.728 1.00 1.00 C ATOM 608 O LEU A 40 -19.108 -7.088 2.624 1.00 1.00 O ATOM 609 CB LEU A 40 -19.273 -5.146 -0.188 1.00 1.00 C ATOM 610 CG LEU A 40 -20.517 -4.263 -0.312 1.00 1.00 C ATOM 611 CD1 LEU A 40 -20.421 -3.423 -1.586 1.00 1.00 C ATOM 612 CD2 LEU A 40 -21.764 -5.147 -0.376 1.00 1.00 C ATOM 0 H LEU A 40 -17.015 -4.351 0.369 1.00 1.00 H new ATOM 0 HA LEU A 40 -19.534 -4.738 1.941 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -18.487 -4.780 -0.849 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -19.504 -6.164 -0.501 1.00 1.00 H new ATOM 0 HG LEU A 40 -20.583 -3.603 0.553 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -21.307 -2.794 -1.675 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -19.532 -2.794 -1.541 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -20.356 -4.082 -2.452 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -22.651 -4.519 -0.464 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -21.698 -5.806 -1.241 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -21.832 -5.746 0.532 1.00 1.00 H new ATOM 624 N LYS A 41 -17.493 -7.193 1.137 1.00 1.00 N ATOM 625 CA LYS A 41 -17.137 -8.580 1.554 1.00 1.00 C ATOM 626 C LYS A 41 -16.578 -8.562 2.977 1.00 1.00 C ATOM 627 O LYS A 41 -16.653 -9.537 3.698 1.00 1.00 O ATOM 628 CB LYS A 41 -16.068 -9.033 0.559 1.00 1.00 C ATOM 629 CG LYS A 41 -15.179 -10.094 1.213 1.00 1.00 C ATOM 630 CD LYS A 41 -15.976 -11.388 1.393 1.00 1.00 C ATOM 631 CE LYS A 41 -15.257 -12.297 2.393 1.00 1.00 C ATOM 632 NZ LYS A 41 -14.418 -11.379 3.212 1.00 1.00 N ATOM 0 H LYS A 41 -16.923 -6.806 0.384 1.00 1.00 H new ATOM 0 HA LYS A 41 -17.996 -9.251 1.554 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -16.538 -9.439 -0.337 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -15.465 -8.181 0.244 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -14.300 -10.279 0.595 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -14.820 -9.738 2.179 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -16.981 -11.162 1.749 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -16.084 -11.897 0.435 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -15.968 -12.842 3.014 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -14.645 -13.041 1.882 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -13.999 -11.906 4.005 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -13.660 -10.982 2.621 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -15.008 -10.607 3.583 1.00 1.00 H new ATOM 645 N ALA A 42 -16.027 -7.453 3.387 1.00 1.00 N ATOM 646 CA ALA A 42 -15.473 -7.364 4.767 1.00 1.00 C ATOM 647 C ALA A 42 -16.610 -7.506 5.780 1.00 1.00 C ATOM 648 O ALA A 42 -16.406 -7.903 6.911 1.00 1.00 O ATOM 649 CB ALA A 42 -14.842 -5.975 4.856 1.00 1.00 C ATOM 0 H ALA A 42 -15.937 -6.605 2.827 1.00 1.00 H new ATOM 0 HA ALA A 42 -14.746 -8.147 4.980 1.00 1.00 H new ATOM 0 HB1 ALA A 42 -14.411 -5.834 5.847 1.00 1.00 H new ATOM 0 HB2 ALA A 42 -14.059 -5.882 4.103 1.00 1.00 H new ATOM 0 HB3 ALA A 42 -15.605 -5.217 4.681 1.00 1.00 H new ATOM 655 N ALA A 43 -17.808 -7.184 5.376 1.00 1.00 N ATOM 656 CA ALA A 43 -18.966 -7.298 6.306 1.00 1.00 C ATOM 657 C ALA A 43 -20.176 -7.883 5.574 1.00 1.00 C ATOM 658 O ALA A 43 -21.309 -7.668 5.957 1.00 1.00 O ATOM 659 CB ALA A 43 -19.254 -5.866 6.757 1.00 1.00 C ATOM 0 H ALA A 43 -18.035 -6.846 4.441 1.00 1.00 H new ATOM 0 HA ALA A 43 -18.756 -7.956 7.149 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -20.098 -5.865 7.447 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -18.375 -5.458 7.257 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -19.495 -5.253 5.889 1.00 1.00 H new ATOM 665 N ASN A 44 -19.946 -8.624 4.522 1.00 1.00 N ATOM 666 CA ASN A 44 -21.088 -9.219 3.771 1.00 1.00 C ATOM 667 C ASN A 44 -20.671 -10.550 3.137 1.00 1.00 C ATOM 668 O ASN A 44 -21.380 -11.111 2.325 1.00 1.00 O ATOM 669 CB ASN A 44 -21.426 -8.194 2.688 1.00 1.00 C ATOM 670 CG ASN A 44 -20.514 -8.408 1.479 1.00 1.00 C ATOM 671 OD1 ASN A 44 -20.243 -9.529 1.098 1.00 1.00 O ATOM 672 ND2 ASN A 44 -20.026 -7.372 0.854 1.00 1.00 N ATOM 0 H ASN A 44 -19.021 -8.842 4.152 1.00 1.00 H new ATOM 0 HA ASN A 44 -21.941 -9.429 4.416 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -22.470 -8.294 2.391 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -21.300 -7.184 3.077 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -19.417 -7.504 0.046 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -20.253 -6.430 1.173 1.00 1.00 H new ATOM 679 N PHE A 45 -19.526 -11.061 3.501 1.00 1.00 N ATOM 680 CA PHE A 45 -19.069 -12.354 2.916 1.00 1.00 C ATOM 681 C PHE A 45 -19.314 -12.364 1.406 1.00 1.00 C ATOM 682 O PHE A 45 -20.319 -11.878 0.928 1.00 1.00 O ATOM 683 CB PHE A 45 -19.921 -13.422 3.605 1.00 1.00 C ATOM 684 CG PHE A 45 -19.078 -14.169 4.609 1.00 1.00 C ATOM 685 CD1 PHE A 45 -17.952 -13.557 5.172 1.00 1.00 C ATOM 686 CD2 PHE A 45 -19.422 -15.475 4.979 1.00 1.00 C ATOM 687 CE1 PHE A 45 -17.170 -14.249 6.104 1.00 1.00 C ATOM 688 CE2 PHE A 45 -18.641 -16.168 5.911 1.00 1.00 C ATOM 689 CZ PHE A 45 -17.514 -15.555 6.474 1.00 1.00 C ATOM 0 H PHE A 45 -18.888 -10.640 4.177 1.00 1.00 H new ATOM 0 HA PHE A 45 -18.003 -12.523 3.066 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -20.772 -12.958 4.103 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -20.323 -14.114 2.865 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -17.686 -12.550 4.887 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -20.291 -15.948 4.545 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -16.301 -13.776 6.538 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -18.907 -17.175 6.196 1.00 1.00 H new ATOM 0 HZ PHE A 45 -16.911 -16.089 7.193 1.00 1.00 H new ATOM 699 N ALA A 46 -18.402 -12.911 0.649 1.00 1.00 N ATOM 700 CA ALA A 46 -18.586 -12.944 -0.831 1.00 1.00 C ATOM 701 C ALA A 46 -19.277 -14.240 -1.254 1.00 1.00 C ATOM 702 O ALA A 46 -18.645 -15.248 -1.502 1.00 1.00 O ATOM 703 CB ALA A 46 -17.174 -12.871 -1.411 1.00 1.00 C ATOM 0 H ALA A 46 -17.539 -13.336 0.990 1.00 1.00 H new ATOM 0 HA ALA A 46 -19.212 -12.125 -1.184 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -17.226 -12.890 -2.500 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -16.695 -11.947 -1.087 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -16.592 -13.723 -1.060 1.00 1.00 H new ATOM 709 N LYS A 47 -20.575 -14.208 -1.348 1.00 1.00 N ATOM 710 CA LYS A 47 -21.338 -15.418 -1.764 1.00 1.00 C ATOM 711 C LYS A 47 -22.379 -15.010 -2.803 1.00 1.00 C ATOM 712 O LYS A 47 -22.337 -13.914 -3.328 1.00 1.00 O ATOM 713 CB LYS A 47 -22.011 -15.928 -0.490 1.00 1.00 C ATOM 714 CG LYS A 47 -20.942 -16.314 0.535 1.00 1.00 C ATOM 715 CD LYS A 47 -21.112 -17.784 0.921 1.00 1.00 C ATOM 716 CE LYS A 47 -21.699 -18.560 -0.261 1.00 1.00 C ATOM 717 NZ LYS A 47 -23.127 -18.784 0.099 1.00 1.00 N ATOM 0 H LYS A 47 -21.147 -13.387 -1.152 1.00 1.00 H new ATOM 0 HA LYS A 47 -20.708 -16.188 -2.210 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -22.663 -15.158 -0.078 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -22.639 -16.789 -0.718 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -19.948 -16.149 0.119 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -21.026 -15.683 1.420 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -20.150 -18.209 1.207 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -21.768 -17.870 1.787 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -21.609 -17.994 -1.189 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -21.177 -19.505 -0.412 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -23.682 -18.943 -0.766 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -23.203 -19.617 0.717 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -23.495 -17.948 0.597 1.00 1.00 H new ATOM 730 N ALA A 48 -23.321 -15.858 -3.105 1.00 1.00 N ATOM 731 CA ALA A 48 -24.345 -15.462 -4.108 1.00 1.00 C ATOM 732 C ALA A 48 -24.918 -14.111 -3.695 1.00 1.00 C ATOM 733 O ALA A 48 -25.375 -13.336 -4.512 1.00 1.00 O ATOM 734 CB ALA A 48 -25.417 -16.551 -4.047 1.00 1.00 C ATOM 0 H ALA A 48 -23.426 -16.792 -2.709 1.00 1.00 H new ATOM 0 HA ALA A 48 -23.947 -15.367 -5.118 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -26.207 -16.324 -4.763 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -24.971 -17.515 -4.292 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -25.838 -16.591 -3.042 1.00 1.00 H new ATOM 740 N LYS A 49 -24.859 -13.810 -2.427 1.00 1.00 N ATOM 741 CA LYS A 49 -25.358 -12.495 -1.949 1.00 1.00 C ATOM 742 C LYS A 49 -24.438 -11.390 -2.476 1.00 1.00 C ATOM 743 O LYS A 49 -24.884 -10.422 -3.060 1.00 1.00 O ATOM 744 CB LYS A 49 -25.292 -12.572 -0.424 1.00 1.00 C ATOM 745 CG LYS A 49 -26.710 -12.561 0.149 1.00 1.00 C ATOM 746 CD LYS A 49 -27.723 -12.650 -0.994 1.00 1.00 C ATOM 747 CE LYS A 49 -29.004 -13.320 -0.492 1.00 1.00 C ATOM 748 NZ LYS A 49 -28.565 -14.194 0.631 1.00 1.00 N ATOM 0 H LYS A 49 -24.485 -14.422 -1.701 1.00 1.00 H new ATOM 0 HA LYS A 49 -26.369 -12.274 -2.291 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -24.771 -13.479 -0.117 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -24.723 -11.730 -0.031 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -26.844 -13.399 0.833 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -26.874 -11.650 0.724 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -27.947 -11.653 -1.374 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -27.303 -13.220 -1.823 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -29.731 -12.581 -0.156 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -29.481 -13.901 -1.281 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -29.321 -14.870 0.861 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -27.709 -14.714 0.352 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -28.358 -13.609 1.466 1.00 1.00 H new ATOM 761 N ARG A 50 -23.150 -11.535 -2.281 1.00 1.00 N ATOM 762 CA ARG A 50 -22.202 -10.498 -2.775 1.00 1.00 C ATOM 763 C ARG A 50 -22.308 -10.381 -4.295 1.00 1.00 C ATOM 764 O ARG A 50 -22.040 -9.342 -4.867 1.00 1.00 O ATOM 765 CB ARG A 50 -20.816 -11.000 -2.371 1.00 1.00 C ATOM 766 CG ARG A 50 -20.154 -9.983 -1.440 1.00 1.00 C ATOM 767 CD ARG A 50 -21.138 -8.850 -1.137 1.00 1.00 C ATOM 768 NE ARG A 50 -22.339 -9.526 -0.572 1.00 1.00 N ATOM 769 CZ ARG A 50 -23.075 -8.914 0.315 1.00 1.00 C ATOM 770 NH1 ARG A 50 -22.758 -7.710 0.706 1.00 1.00 N ATOM 771 NH2 ARG A 50 -24.127 -9.505 0.811 1.00 1.00 N ATOM 0 H ARG A 50 -22.719 -12.326 -1.802 1.00 1.00 H new ATOM 0 HA ARG A 50 -22.411 -9.512 -2.360 1.00 1.00 H new ATOM 0 HB2 ARG A 50 -20.899 -11.965 -1.872 1.00 1.00 H new ATOM 0 HB3 ARG A 50 -20.200 -11.152 -3.258 1.00 1.00 H new ATOM 0 HG2 ARG A 50 -19.846 -10.469 -0.514 1.00 1.00 H new ATOM 0 HG3 ARG A 50 -19.253 -9.582 -1.904 1.00 1.00 H new ATOM 0 HD2 ARG A 50 -20.715 -8.138 -0.428 1.00 1.00 H new ATOM 0 HD3 ARG A 50 -21.387 -8.291 -2.039 1.00 1.00 H new ATOM 0 HE ARG A 50 -22.586 -10.467 -0.878 1.00 1.00 H new ATOM 0 HH11 ARG A 50 -21.935 -7.248 0.318 1.00 1.00 H new ATOM 0 HH12 ARG A 50 -23.333 -7.231 1.399 1.00 1.00 H new ATOM 0 HH21 ARG A 50 -24.375 -10.446 0.506 1.00 1.00 H new ATOM 0 HH22 ARG A 50 -24.702 -9.026 1.504 1.00 1.00 H new ATOM 784 N THR A 51 -22.711 -11.434 -4.954 1.00 1.00 N ATOM 785 CA THR A 51 -22.849 -11.373 -6.436 1.00 1.00 C ATOM 786 C THR A 51 -23.993 -10.430 -6.800 1.00 1.00 C ATOM 787 O THR A 51 -23.933 -9.706 -7.774 1.00 1.00 O ATOM 788 CB THR A 51 -23.170 -12.806 -6.867 1.00 1.00 C ATOM 789 OG1 THR A 51 -22.214 -13.235 -7.826 1.00 1.00 O ATOM 790 CG2 THR A 51 -24.570 -12.853 -7.482 1.00 1.00 C ATOM 0 H THR A 51 -22.950 -12.331 -4.531 1.00 1.00 H new ATOM 0 HA THR A 51 -21.951 -11.000 -6.928 1.00 1.00 H new ATOM 0 HB THR A 51 -23.135 -13.464 -5.999 1.00 1.00 H new ATOM 0 HG1 THR A 51 -22.417 -14.153 -8.102 1.00 1.00 H new ATOM 0 HG21 THR A 51 -24.798 -13.874 -7.789 1.00 1.00 H new ATOM 0 HG22 THR A 51 -25.302 -12.523 -6.745 1.00 1.00 H new ATOM 0 HG23 THR A 51 -24.608 -12.196 -8.351 1.00 1.00 H new ATOM 798 N ARG A 52 -25.034 -10.424 -6.012 1.00 1.00 N ATOM 799 CA ARG A 52 -26.180 -9.516 -6.298 1.00 1.00 C ATOM 800 C ARG A 52 -25.968 -8.184 -5.576 1.00 1.00 C ATOM 801 O ARG A 52 -25.751 -7.159 -6.191 1.00 1.00 O ATOM 802 CB ARG A 52 -27.409 -10.240 -5.747 1.00 1.00 C ATOM 803 CG ARG A 52 -28.404 -10.492 -6.881 1.00 1.00 C ATOM 804 CD ARG A 52 -28.293 -11.945 -7.346 1.00 1.00 C ATOM 805 NE ARG A 52 -28.484 -12.759 -6.112 1.00 1.00 N ATOM 806 CZ ARG A 52 -29.685 -12.971 -5.650 1.00 1.00 C ATOM 807 NH1 ARG A 52 -30.720 -12.471 -6.268 1.00 1.00 N ATOM 808 NH2 ARG A 52 -29.853 -13.682 -4.569 1.00 1.00 N ATOM 0 H ARG A 52 -25.140 -11.009 -5.183 1.00 1.00 H new ATOM 0 HA ARG A 52 -26.288 -9.296 -7.360 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -27.114 -11.185 -5.291 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -27.877 -9.642 -4.965 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -29.419 -10.285 -6.541 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -28.202 -9.817 -7.713 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -29.050 -12.179 -8.095 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -27.323 -12.141 -7.802 1.00 1.00 H new ATOM 0 HE ARG A 52 -27.675 -13.150 -5.629 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -30.590 -11.914 -7.113 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -31.659 -12.637 -5.906 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -29.045 -14.072 -4.085 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -30.793 -13.847 -4.208 1.00 1.00 H new ATOM 821 N ILE A 53 -26.026 -8.194 -4.272 1.00 1.00 N ATOM 822 CA ILE A 53 -25.825 -6.930 -3.510 1.00 1.00 C ATOM 823 C ILE A 53 -24.603 -6.184 -4.054 1.00 1.00 C ATOM 824 O ILE A 53 -24.645 -4.992 -4.284 1.00 1.00 O ATOM 825 CB ILE A 53 -25.591 -7.368 -2.064 1.00 1.00 C ATOM 826 CG1 ILE A 53 -24.123 -7.762 -1.879 1.00 1.00 C ATOM 827 CG2 ILE A 53 -26.482 -8.569 -1.744 1.00 1.00 C ATOM 828 CD1 ILE A 53 -23.311 -6.531 -1.475 1.00 1.00 C ATOM 0 H ILE A 53 -26.204 -9.022 -3.703 1.00 1.00 H new ATOM 0 HA ILE A 53 -26.676 -6.254 -3.592 1.00 1.00 H new ATOM 0 HB ILE A 53 -25.834 -6.544 -1.393 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -24.036 -8.535 -1.115 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -23.729 -8.183 -2.804 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -26.315 -8.881 -0.713 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -27.528 -8.291 -1.874 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -26.239 -9.392 -2.416 1.00 1.00 H new ATOM 0 HD11 ILE A 53 -22.266 -6.812 -1.343 1.00 1.00 H new ATOM 0 HD12 ILE A 53 -23.388 -5.773 -2.254 1.00 1.00 H new ATOM 0 HD13 ILE A 53 -23.700 -6.130 -0.539 1.00 1.00 H new ATOM 840 N LEU A 54 -23.519 -6.878 -4.281 1.00 1.00 N ATOM 841 CA LEU A 54 -22.310 -6.202 -4.834 1.00 1.00 C ATOM 842 C LEU A 54 -22.591 -5.752 -6.269 1.00 1.00 C ATOM 843 O LEU A 54 -22.486 -4.588 -6.603 1.00 1.00 O ATOM 844 CB LEU A 54 -21.210 -7.263 -4.806 1.00 1.00 C ATOM 845 CG LEU A 54 -19.860 -6.607 -5.097 1.00 1.00 C ATOM 846 CD1 LEU A 54 -18.756 -7.354 -4.347 1.00 1.00 C ATOM 847 CD2 LEU A 54 -19.580 -6.660 -6.600 1.00 1.00 C ATOM 0 H LEU A 54 -23.419 -7.878 -4.108 1.00 1.00 H new ATOM 0 HA LEU A 54 -22.025 -5.317 -4.265 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -21.186 -7.752 -3.832 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -21.417 -8.036 -5.546 1.00 1.00 H new ATOM 0 HG LEU A 54 -19.884 -5.568 -4.768 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -17.794 -6.886 -4.555 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -18.954 -7.316 -3.276 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -18.732 -8.393 -4.675 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -18.618 -6.192 -6.808 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -19.557 -7.699 -6.929 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -20.365 -6.127 -7.135 1.00 1.00 H new ATOM 859 N GLU A 55 -22.943 -6.677 -7.119 1.00 1.00 N ATOM 860 CA GLU A 55 -23.228 -6.320 -8.538 1.00 1.00 C ATOM 861 C GLU A 55 -24.237 -5.172 -8.592 1.00 1.00 C ATOM 862 O GLU A 55 -24.068 -4.222 -9.329 1.00 1.00 O ATOM 863 CB GLU A 55 -23.821 -7.584 -9.157 1.00 1.00 C ATOM 864 CG GLU A 55 -25.344 -7.450 -9.234 1.00 1.00 C ATOM 865 CD GLU A 55 -25.706 -6.118 -9.893 1.00 1.00 C ATOM 866 OE1 GLU A 55 -25.056 -5.761 -10.860 1.00 1.00 O ATOM 867 OE2 GLU A 55 -26.628 -5.476 -9.416 1.00 1.00 O ATOM 0 H GLU A 55 -23.046 -7.666 -6.892 1.00 1.00 H new ATOM 0 HA GLU A 55 -22.336 -5.990 -9.070 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -23.409 -7.741 -10.154 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -23.552 -8.455 -8.559 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -25.764 -8.277 -9.806 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -25.775 -7.503 -8.234 1.00 1.00 H new ATOM 874 N LYS A 56 -25.275 -5.241 -7.806 1.00 1.00 N ATOM 875 CA LYS A 56 -26.277 -4.137 -7.808 1.00 1.00 C ATOM 876 C LYS A 56 -25.685 -2.919 -7.099 1.00 1.00 C ATOM 877 O LYS A 56 -25.968 -1.787 -7.440 1.00 1.00 O ATOM 878 CB LYS A 56 -27.480 -4.684 -7.039 1.00 1.00 C ATOM 879 CG LYS A 56 -27.880 -3.695 -5.943 1.00 1.00 C ATOM 880 CD LYS A 56 -28.345 -4.466 -4.705 1.00 1.00 C ATOM 881 CE LYS A 56 -28.724 -3.477 -3.600 1.00 1.00 C ATOM 882 NZ LYS A 56 -30.164 -3.743 -3.325 1.00 1.00 N ATOM 0 H LYS A 56 -25.473 -6.009 -7.165 1.00 1.00 H new ATOM 0 HA LYS A 56 -26.560 -3.824 -8.813 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -28.316 -4.847 -7.719 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -27.234 -5.651 -6.599 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -27.035 -3.055 -5.690 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -28.678 -3.043 -6.300 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -29.200 -5.094 -4.955 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -27.553 -5.129 -4.358 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -28.117 -3.630 -2.708 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -28.567 -2.447 -3.920 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -30.499 -3.103 -2.577 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -30.718 -3.583 -4.191 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -30.282 -4.729 -3.016 1.00 1.00 H new ATOM 895 N GLU A 57 -24.847 -3.148 -6.126 1.00 1.00 N ATOM 896 CA GLU A 57 -24.214 -2.010 -5.405 1.00 1.00 C ATOM 897 C GLU A 57 -23.077 -1.448 -6.259 1.00 1.00 C ATOM 898 O GLU A 57 -22.986 -0.258 -6.487 1.00 1.00 O ATOM 899 CB GLU A 57 -23.669 -2.610 -4.108 1.00 1.00 C ATOM 900 CG GLU A 57 -24.151 -1.779 -2.918 1.00 1.00 C ATOM 901 CD GLU A 57 -24.365 -0.331 -3.360 1.00 1.00 C ATOM 902 OE1 GLU A 57 -23.528 0.176 -4.089 1.00 1.00 O ATOM 903 OE2 GLU A 57 -25.363 0.249 -2.961 1.00 1.00 O ATOM 0 H GLU A 57 -24.574 -4.075 -5.799 1.00 1.00 H new ATOM 0 HA GLU A 57 -24.910 -1.196 -5.204 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -24.004 -3.642 -4.004 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -22.579 -2.630 -4.134 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -25.080 -2.192 -2.525 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -23.418 -1.820 -2.112 1.00 1.00 H new ATOM 910 N VAL A 58 -22.214 -2.302 -6.738 1.00 1.00 N ATOM 911 CA VAL A 58 -21.085 -1.828 -7.585 1.00 1.00 C ATOM 912 C VAL A 58 -21.537 -1.706 -9.043 1.00 1.00 C ATOM 913 O VAL A 58 -21.301 -0.707 -9.693 1.00 1.00 O ATOM 914 CB VAL A 58 -20.004 -2.899 -7.444 1.00 1.00 C ATOM 915 CG1 VAL A 58 -18.788 -2.308 -6.728 1.00 1.00 C ATOM 916 CG2 VAL A 58 -20.554 -4.072 -6.628 1.00 1.00 C ATOM 0 H VAL A 58 -22.243 -3.309 -6.578 1.00 1.00 H new ATOM 0 HA VAL A 58 -20.723 -0.846 -7.281 1.00 1.00 H new ATOM 0 HB VAL A 58 -19.708 -3.248 -8.433 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -18.018 -3.073 -6.628 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -18.396 -1.472 -7.307 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -19.083 -1.958 -5.739 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -19.784 -4.837 -6.526 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -20.849 -3.721 -5.639 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -21.421 -4.494 -7.137 1.00 1.00 H new ATOM 926 N LEU A 59 -22.189 -2.713 -9.567 1.00 1.00 N ATOM 927 CA LEU A 59 -22.649 -2.633 -10.983 1.00 1.00 C ATOM 928 C LEU A 59 -23.156 -1.222 -11.274 1.00 1.00 C ATOM 929 O LEU A 59 -22.809 -0.618 -12.271 1.00 1.00 O ATOM 930 CB LEU A 59 -23.790 -3.643 -11.101 1.00 1.00 C ATOM 931 CG LEU A 59 -24.298 -3.663 -12.543 1.00 1.00 C ATOM 932 CD1 LEU A 59 -24.993 -2.336 -12.855 1.00 1.00 C ATOM 933 CD2 LEU A 59 -23.116 -3.852 -13.495 1.00 1.00 C ATOM 0 H LEU A 59 -22.420 -3.579 -9.080 1.00 1.00 H new ATOM 0 HA LEU A 59 -21.849 -2.850 -11.691 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -23.444 -4.635 -10.811 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -24.599 -3.376 -10.422 1.00 1.00 H new ATOM 0 HG LEU A 59 -25.004 -4.484 -12.670 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -25.356 -2.348 -13.883 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -25.833 -2.197 -12.175 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -24.285 -1.516 -12.730 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -23.476 -3.867 -14.524 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -22.412 -3.030 -13.369 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -22.616 -4.795 -13.272 1.00 1.00 H new ATOM 945 N LYS A 60 -23.959 -0.683 -10.399 1.00 1.00 N ATOM 946 CA LYS A 60 -24.468 0.700 -10.613 1.00 1.00 C ATOM 947 C LYS A 60 -23.318 1.683 -10.402 1.00 1.00 C ATOM 948 O LYS A 60 -23.416 2.856 -10.702 1.00 1.00 O ATOM 949 CB LYS A 60 -25.553 0.898 -9.553 1.00 1.00 C ATOM 950 CG LYS A 60 -26.931 0.745 -10.200 1.00 1.00 C ATOM 951 CD LYS A 60 -28.011 1.186 -9.209 1.00 1.00 C ATOM 952 CE LYS A 60 -28.456 -0.014 -8.370 1.00 1.00 C ATOM 953 NZ LYS A 60 -27.395 -1.039 -8.571 1.00 1.00 N ATOM 0 H LYS A 60 -24.284 -1.140 -9.547 1.00 1.00 H new ATOM 0 HA LYS A 60 -24.864 0.860 -11.616 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -25.432 0.168 -8.753 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -25.459 1.885 -9.101 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -26.987 1.346 -11.107 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -27.094 -0.292 -10.494 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -27.625 1.973 -8.561 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -28.863 1.604 -9.746 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -28.552 0.254 -7.318 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -29.429 -0.384 -8.695 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -27.708 -1.946 -8.169 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -27.213 -1.156 -9.588 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -26.522 -0.733 -8.096 1.00 1.00 H new ATOM 966 N GLU A 61 -22.222 1.193 -9.892 1.00 1.00 N ATOM 967 CA GLU A 61 -21.039 2.070 -9.659 1.00 1.00 C ATOM 968 C GLU A 61 -19.910 1.681 -10.616 1.00 1.00 C ATOM 969 O GLU A 61 -20.139 1.097 -11.657 1.00 1.00 O ATOM 970 CB GLU A 61 -20.630 1.808 -8.209 1.00 1.00 C ATOM 971 CG GLU A 61 -19.947 3.053 -7.639 1.00 1.00 C ATOM 972 CD GLU A 61 -20.941 4.215 -7.614 1.00 1.00 C ATOM 973 OE1 GLU A 61 -21.653 4.380 -8.592 1.00 1.00 O ATOM 974 OE2 GLU A 61 -20.974 4.921 -6.620 1.00 1.00 O ATOM 0 H GLU A 61 -22.094 0.217 -9.625 1.00 1.00 H new ATOM 0 HA GLU A 61 -21.259 3.123 -9.832 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -21.507 1.556 -7.612 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -19.954 0.954 -8.159 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -19.582 2.851 -6.632 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -19.080 3.315 -8.246 1.00 1.00 H new ATOM 981 N THR A 62 -18.691 2.000 -10.276 1.00 1.00 N ATOM 982 CA THR A 62 -17.552 1.646 -11.171 1.00 1.00 C ATOM 983 C THR A 62 -16.817 0.412 -10.638 1.00 1.00 C ATOM 984 O THR A 62 -15.605 0.381 -10.574 1.00 1.00 O ATOM 985 CB THR A 62 -16.635 2.870 -11.144 1.00 1.00 C ATOM 986 OG1 THR A 62 -17.397 4.036 -11.424 1.00 1.00 O ATOM 987 CG2 THR A 62 -15.537 2.711 -12.197 1.00 1.00 C ATOM 0 H THR A 62 -18.434 2.490 -9.419 1.00 1.00 H new ATOM 0 HA THR A 62 -17.882 1.403 -12.181 1.00 1.00 H new ATOM 0 HB THR A 62 -16.179 2.961 -10.158 1.00 1.00 H new ATOM 0 HG1 THR A 62 -16.812 4.822 -11.405 1.00 1.00 H new ATOM 0 HG21 THR A 62 -14.884 3.584 -12.177 1.00 1.00 H new ATOM 0 HG22 THR A 62 -14.953 1.816 -11.982 1.00 1.00 H new ATOM 0 HG23 THR A 62 -15.990 2.620 -13.184 1.00 1.00 H new ATOM 995 N HIS A 63 -17.541 -0.605 -10.257 1.00 1.00 N ATOM 996 CA HIS A 63 -16.880 -1.835 -9.731 1.00 1.00 C ATOM 997 C HIS A 63 -16.100 -2.530 -10.851 1.00 1.00 C ATOM 998 O HIS A 63 -16.557 -2.621 -11.974 1.00 1.00 O ATOM 999 CB HIS A 63 -18.024 -2.723 -9.243 1.00 1.00 C ATOM 1000 CG HIS A 63 -18.458 -3.640 -10.353 1.00 1.00 C ATOM 1001 ND1 HIS A 63 -17.679 -4.702 -10.782 1.00 1.00 N ATOM 1002 CD2 HIS A 63 -19.589 -3.666 -11.132 1.00 1.00 C ATOM 1003 CE1 HIS A 63 -18.345 -5.318 -11.776 1.00 1.00 C ATOM 1004 NE2 HIS A 63 -19.514 -4.727 -12.031 1.00 1.00 N ATOM 0 H HIS A 63 -18.560 -0.638 -10.287 1.00 1.00 H new ATOM 0 HA HIS A 63 -16.169 -1.616 -8.934 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -17.703 -3.306 -8.380 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -18.862 -2.107 -8.917 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -20.411 -2.970 -11.059 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -17.978 -6.186 -12.304 1.00 1.00 H new ATOM 0 HE2 HIS A 63 -20.204 -4.995 -12.733 1.00 1.00 H new ATOM 1012 N GLU A 64 -14.923 -3.015 -10.560 1.00 1.00 N ATOM 1013 CA GLU A 64 -14.118 -3.693 -11.618 1.00 1.00 C ATOM 1014 C GLU A 64 -13.519 -5.000 -11.090 1.00 1.00 C ATOM 1015 O GLU A 64 -13.134 -5.100 -9.942 1.00 1.00 O ATOM 1016 CB GLU A 64 -13.005 -2.704 -11.957 1.00 1.00 C ATOM 1017 CG GLU A 64 -13.410 -1.875 -13.177 1.00 1.00 C ATOM 1018 CD GLU A 64 -14.122 -2.774 -14.191 1.00 1.00 C ATOM 1019 OE1 GLU A 64 -13.807 -3.952 -14.233 1.00 1.00 O ATOM 1020 OE2 GLU A 64 -14.970 -2.268 -14.908 1.00 1.00 O ATOM 0 H GLU A 64 -14.485 -2.972 -9.640 1.00 1.00 H new ATOM 0 HA GLU A 64 -14.724 -3.953 -12.486 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -12.815 -2.049 -11.107 1.00 1.00 H new ATOM 0 HB3 GLU A 64 -12.078 -3.240 -12.160 1.00 1.00 H new ATOM 0 HG2 GLU A 64 -14.066 -1.059 -12.874 1.00 1.00 H new ATOM 0 HG3 GLU A 64 -12.529 -1.423 -13.632 1.00 1.00 H new ATOM 1027 N LYS A 65 -13.427 -5.997 -11.927 1.00 1.00 N ATOM 1028 CA LYS A 65 -12.840 -7.295 -11.484 1.00 1.00 C ATOM 1029 C LYS A 65 -11.374 -7.373 -11.919 1.00 1.00 C ATOM 1030 O LYS A 65 -11.035 -7.065 -13.044 1.00 1.00 O ATOM 1031 CB LYS A 65 -13.669 -8.368 -12.190 1.00 1.00 C ATOM 1032 CG LYS A 65 -15.154 -8.141 -11.897 1.00 1.00 C ATOM 1033 CD LYS A 65 -15.541 -8.884 -10.616 1.00 1.00 C ATOM 1034 CE LYS A 65 -16.852 -9.642 -10.842 1.00 1.00 C ATOM 1035 NZ LYS A 65 -16.970 -10.558 -9.674 1.00 1.00 N ATOM 0 H LYS A 65 -13.733 -5.969 -12.900 1.00 1.00 H new ATOM 0 HA LYS A 65 -12.863 -7.417 -10.401 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -13.490 -8.332 -13.265 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -13.367 -9.358 -11.849 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -15.355 -7.075 -11.787 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -15.759 -8.495 -12.732 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -14.751 -9.579 -10.333 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -15.654 -8.178 -9.793 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -17.699 -8.959 -10.896 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -16.831 -10.198 -11.780 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -17.845 -11.114 -9.756 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -16.153 -11.201 -9.653 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -16.994 -10.000 -8.797 1.00 1.00 H new ATOM 1048 N VAL A 66 -10.502 -7.776 -11.037 1.00 1.00 N ATOM 1049 CA VAL A 66 -9.060 -7.864 -11.408 1.00 1.00 C ATOM 1050 C VAL A 66 -8.548 -9.296 -11.241 1.00 1.00 C ATOM 1051 O VAL A 66 -8.674 -9.893 -10.189 1.00 1.00 O ATOM 1052 CB VAL A 66 -8.346 -6.922 -10.440 1.00 1.00 C ATOM 1053 CG1 VAL A 66 -7.649 -5.812 -11.227 1.00 1.00 C ATOM 1054 CG2 VAL A 66 -9.369 -6.303 -9.485 1.00 1.00 C ATOM 0 H VAL A 66 -10.723 -8.047 -10.079 1.00 1.00 H new ATOM 0 HA VAL A 66 -8.887 -7.591 -12.449 1.00 1.00 H new ATOM 0 HB VAL A 66 -7.605 -7.482 -9.869 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -7.140 -5.140 -10.536 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -6.921 -6.251 -11.909 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -8.389 -5.252 -11.799 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -8.861 -5.631 -8.794 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -10.109 -5.744 -10.057 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -9.867 -7.093 -8.923 1.00 1.00 H new ATOM 1064 N GLN A 67 -7.967 -9.849 -12.270 1.00 1.00 N ATOM 1065 CA GLN A 67 -7.443 -11.241 -12.173 1.00 1.00 C ATOM 1066 C GLN A 67 -6.135 -11.366 -12.959 1.00 1.00 C ATOM 1067 O GLN A 67 -5.701 -10.438 -13.612 1.00 1.00 O ATOM 1068 CB GLN A 67 -8.530 -12.118 -12.795 1.00 1.00 C ATOM 1069 CG GLN A 67 -9.194 -11.365 -13.950 1.00 1.00 C ATOM 1070 CD GLN A 67 -10.179 -10.336 -13.390 1.00 1.00 C ATOM 1071 OE1 GLN A 67 -10.628 -9.460 -14.102 1.00 1.00 O ATOM 1072 NE2 GLN A 67 -10.536 -10.407 -12.138 1.00 1.00 N ATOM 0 H GLN A 67 -7.832 -9.397 -13.174 1.00 1.00 H new ATOM 0 HA GLN A 67 -7.226 -11.532 -11.145 1.00 1.00 H new ATOM 0 HB2 GLN A 67 -8.097 -13.051 -13.156 1.00 1.00 H new ATOM 0 HB3 GLN A 67 -9.274 -12.382 -12.043 1.00 1.00 H new ATOM 0 HG2 GLN A 67 -8.437 -10.867 -14.556 1.00 1.00 H new ATOM 0 HG3 GLN A 67 -9.715 -12.065 -14.603 1.00 1.00 H new ATOM 0 HE21 GLN A 67 -10.159 -11.143 -11.541 1.00 1.00 H new ATOM 0 HE22 GLN A 67 -11.193 -9.727 -11.756 1.00 1.00 H new ATOM 1081 N GLY A 68 -5.504 -12.507 -12.904 1.00 1.00 N ATOM 1082 CA GLY A 68 -4.227 -12.688 -13.651 1.00 1.00 C ATOM 1083 C GLY A 68 -3.069 -12.095 -12.844 1.00 1.00 C ATOM 1084 O GLY A 68 -1.933 -12.104 -13.274 1.00 1.00 O ATOM 0 H GLY A 68 -5.817 -13.321 -12.375 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -4.049 -13.747 -13.836 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -4.292 -12.201 -14.624 1.00 1.00 H new ATOM 1088 N GLY A 69 -3.347 -11.578 -11.678 1.00 1.00 N ATOM 1089 CA GLY A 69 -2.260 -10.986 -10.848 1.00 1.00 C ATOM 1090 C GLY A 69 -2.294 -9.462 -10.969 1.00 1.00 C ATOM 1091 O GLY A 69 -1.673 -8.755 -10.201 1.00 1.00 O ATOM 0 H GLY A 69 -4.279 -11.540 -11.265 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -2.383 -11.281 -9.806 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -1.292 -11.365 -11.175 1.00 1.00 H new ATOM 1095 N PHE A 70 -3.014 -8.949 -11.929 1.00 1.00 N ATOM 1096 CA PHE A 70 -3.087 -7.469 -12.097 1.00 1.00 C ATOM 1097 C PHE A 70 -4.347 -6.924 -11.418 1.00 1.00 C ATOM 1098 O PHE A 70 -5.416 -6.905 -11.993 1.00 1.00 O ATOM 1099 CB PHE A 70 -3.150 -7.245 -13.608 1.00 1.00 C ATOM 1100 CG PHE A 70 -4.221 -6.228 -13.924 1.00 1.00 C ATOM 1101 CD1 PHE A 70 -4.432 -5.143 -13.066 1.00 1.00 C ATOM 1102 CD2 PHE A 70 -5.005 -6.372 -15.076 1.00 1.00 C ATOM 1103 CE1 PHE A 70 -5.424 -4.200 -13.360 1.00 1.00 C ATOM 1104 CE2 PHE A 70 -5.997 -5.430 -15.369 1.00 1.00 C ATOM 1105 CZ PHE A 70 -6.207 -4.344 -14.512 1.00 1.00 C ATOM 0 H PHE A 70 -3.555 -9.490 -12.604 1.00 1.00 H new ATOM 0 HA PHE A 70 -2.237 -6.958 -11.646 1.00 1.00 H new ATOM 0 HB2 PHE A 70 -2.184 -6.897 -13.975 1.00 1.00 H new ATOM 0 HB3 PHE A 70 -3.365 -8.185 -14.117 1.00 1.00 H new ATOM 0 HD1 PHE A 70 -3.829 -5.033 -12.177 1.00 1.00 H new ATOM 0 HD2 PHE A 70 -4.844 -7.210 -15.738 1.00 1.00 H new ATOM 0 HE1 PHE A 70 -5.585 -3.362 -12.699 1.00 1.00 H new ATOM 0 HE2 PHE A 70 -6.601 -5.541 -16.257 1.00 1.00 H new ATOM 0 HZ PHE A 70 -6.973 -3.617 -14.739 1.00 1.00 H new ATOM 1115 N GLY A 71 -4.228 -6.484 -10.195 1.00 1.00 N ATOM 1116 CA GLY A 71 -5.419 -5.945 -9.478 1.00 1.00 C ATOM 1117 C GLY A 71 -6.217 -7.102 -8.877 1.00 1.00 C ATOM 1118 O GLY A 71 -7.353 -6.943 -8.464 1.00 1.00 O ATOM 0 H GLY A 71 -3.359 -6.474 -9.662 1.00 1.00 H new ATOM 0 HA2 GLY A 71 -5.104 -5.259 -8.692 1.00 1.00 H new ATOM 0 HA3 GLY A 71 -6.044 -5.376 -10.166 1.00 1.00 H new ATOM 1122 N LYS A 72 -5.630 -8.268 -8.813 1.00 1.00 N ATOM 1123 CA LYS A 72 -6.360 -9.432 -8.239 1.00 1.00 C ATOM 1124 C LYS A 72 -6.465 -9.266 -6.729 1.00 1.00 C ATOM 1125 O LYS A 72 -7.206 -9.964 -6.063 1.00 1.00 O ATOM 1126 CB LYS A 72 -5.506 -10.652 -8.588 1.00 1.00 C ATOM 1127 CG LYS A 72 -5.400 -11.567 -7.367 1.00 1.00 C ATOM 1128 CD LYS A 72 -4.751 -10.803 -6.210 1.00 1.00 C ATOM 1129 CE LYS A 72 -3.687 -9.851 -6.762 1.00 1.00 C ATOM 1130 NZ LYS A 72 -2.428 -10.236 -6.065 1.00 1.00 N ATOM 0 H LYS A 72 -4.681 -8.463 -9.132 1.00 1.00 H new ATOM 0 HA LYS A 72 -7.373 -9.528 -8.630 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -5.950 -11.193 -9.424 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -4.513 -10.335 -8.905 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -6.390 -11.918 -7.075 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -4.809 -12.449 -7.611 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -5.507 -10.242 -5.661 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -4.299 -11.502 -5.506 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -3.587 -9.954 -7.843 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -3.946 -8.811 -6.563 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -1.614 -10.025 -6.677 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -2.344 -9.699 -5.178 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -2.446 -11.254 -5.853 1.00 1.00 H new ATOM 1143 N TYR A 73 -5.749 -8.324 -6.185 1.00 1.00 N ATOM 1144 CA TYR A 73 -5.828 -8.086 -4.723 1.00 1.00 C ATOM 1145 C TYR A 73 -7.077 -7.256 -4.428 1.00 1.00 C ATOM 1146 O TYR A 73 -7.629 -7.303 -3.346 1.00 1.00 O ATOM 1147 CB TYR A 73 -4.562 -7.304 -4.373 1.00 1.00 C ATOM 1148 CG TYR A 73 -3.661 -8.165 -3.519 1.00 1.00 C ATOM 1149 CD1 TYR A 73 -4.216 -9.085 -2.623 1.00 1.00 C ATOM 1150 CD2 TYR A 73 -2.271 -8.042 -3.626 1.00 1.00 C ATOM 1151 CE1 TYR A 73 -3.381 -9.883 -1.832 1.00 1.00 C ATOM 1152 CE2 TYR A 73 -1.435 -8.840 -2.835 1.00 1.00 C ATOM 1153 CZ TYR A 73 -1.990 -9.761 -1.938 1.00 1.00 C ATOM 1154 OH TYR A 73 -1.167 -10.548 -1.159 1.00 1.00 O ATOM 0 H TYR A 73 -5.112 -7.709 -6.692 1.00 1.00 H new ATOM 0 HA TYR A 73 -5.894 -9.006 -4.143 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -4.042 -7.006 -5.283 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -4.822 -6.389 -3.840 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -5.289 -9.180 -2.542 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -1.843 -7.332 -4.318 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -3.810 -10.593 -1.140 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -0.362 -8.745 -2.917 1.00 1.00 H new ATOM 0 HH TYR A 73 -0.230 -10.338 -1.357 1.00 1.00 H new ATOM 1164 N GLN A 74 -7.532 -6.499 -5.394 1.00 1.00 N ATOM 1165 CA GLN A 74 -8.752 -5.672 -5.177 1.00 1.00 C ATOM 1166 C GLN A 74 -9.990 -6.430 -5.663 1.00 1.00 C ATOM 1167 O GLN A 74 -10.991 -6.507 -4.979 1.00 1.00 O ATOM 1168 CB GLN A 74 -8.529 -4.413 -6.015 1.00 1.00 C ATOM 1169 CG GLN A 74 -7.938 -4.802 -7.371 1.00 1.00 C ATOM 1170 CD GLN A 74 -6.457 -4.422 -7.409 1.00 1.00 C ATOM 1171 OE1 GLN A 74 -6.115 -3.289 -7.684 1.00 1.00 O ATOM 1172 NE2 GLN A 74 -5.555 -5.329 -7.143 1.00 1.00 N ATOM 0 H GLN A 74 -7.111 -6.419 -6.320 1.00 1.00 H new ATOM 0 HA GLN A 74 -8.914 -5.436 -4.125 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -9.472 -3.885 -6.155 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -7.856 -3.731 -5.495 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -8.054 -5.873 -7.537 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.475 -4.295 -8.173 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -5.841 -6.280 -6.912 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -4.565 -5.086 -7.166 1.00 1.00 H new ATOM 1181 N GLY A 75 -9.925 -6.997 -6.837 1.00 1.00 N ATOM 1182 CA GLY A 75 -11.095 -7.758 -7.362 1.00 1.00 C ATOM 1183 C GLY A 75 -12.208 -6.784 -7.751 1.00 1.00 C ATOM 1184 O GLY A 75 -12.461 -6.543 -8.915 1.00 1.00 O ATOM 0 H GLY A 75 -9.114 -6.966 -7.455 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -10.798 -8.350 -8.227 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -11.456 -8.456 -6.607 1.00 1.00 H new ATOM 1188 N THR A 76 -12.869 -6.219 -6.781 1.00 1.00 N ATOM 1189 CA THR A 76 -13.964 -5.252 -7.078 1.00 1.00 C ATOM 1190 C THR A 76 -13.727 -3.944 -6.319 1.00 1.00 C ATOM 1191 O THR A 76 -14.414 -3.640 -5.364 1.00 1.00 O ATOM 1192 CB THR A 76 -15.241 -5.936 -6.587 1.00 1.00 C ATOM 1193 OG1 THR A 76 -15.192 -7.317 -6.915 1.00 1.00 O ATOM 1194 CG2 THR A 76 -16.457 -5.294 -7.255 1.00 1.00 C ATOM 0 H THR A 76 -12.698 -6.386 -5.789 1.00 1.00 H new ATOM 0 HA THR A 76 -14.021 -5.000 -8.137 1.00 1.00 H new ATOM 0 HB THR A 76 -15.322 -5.821 -5.506 1.00 1.00 H new ATOM 0 HG1 THR A 76 -16.009 -7.757 -6.600 1.00 1.00 H new ATOM 0 HG21 THR A 76 -17.366 -5.783 -6.904 1.00 1.00 H new ATOM 0 HG22 THR A 76 -16.494 -4.234 -7.002 1.00 1.00 H new ATOM 0 HG23 THR A 76 -16.380 -5.406 -8.336 1.00 1.00 H new ATOM 1202 N TRP A 77 -12.759 -3.171 -6.727 1.00 1.00 N ATOM 1203 CA TRP A 77 -12.486 -1.890 -6.014 1.00 1.00 C ATOM 1204 C TRP A 77 -13.536 -0.841 -6.387 1.00 1.00 C ATOM 1205 O TRP A 77 -14.170 -0.920 -7.420 1.00 1.00 O ATOM 1206 CB TRP A 77 -11.099 -1.451 -6.486 1.00 1.00 C ATOM 1207 CG TRP A 77 -10.902 -1.850 -7.913 1.00 1.00 C ATOM 1208 CD1 TRP A 77 -11.875 -2.303 -8.734 1.00 1.00 C ATOM 1209 CD2 TRP A 77 -9.675 -1.836 -8.697 1.00 1.00 C ATOM 1210 NE1 TRP A 77 -11.322 -2.571 -9.975 1.00 1.00 N ATOM 1211 CE2 TRP A 77 -9.969 -2.299 -10.001 1.00 1.00 C ATOM 1212 CE3 TRP A 77 -8.348 -1.471 -8.406 1.00 1.00 C ATOM 1213 CZ2 TRP A 77 -8.982 -2.395 -10.982 1.00 1.00 C ATOM 1214 CZ3 TRP A 77 -7.351 -1.568 -9.392 1.00 1.00 C ATOM 1215 CH2 TRP A 77 -7.668 -2.029 -10.677 1.00 1.00 C ATOM 0 H TRP A 77 -12.148 -3.369 -7.519 1.00 1.00 H new ATOM 0 HA TRP A 77 -12.526 -2.009 -4.931 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -10.994 -0.371 -6.383 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -10.331 -1.907 -5.862 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -12.913 -2.434 -8.466 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -11.850 -2.926 -10.772 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -8.094 -1.114 -7.419 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -9.232 -2.750 -11.971 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -6.335 -1.286 -9.158 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -6.898 -2.101 -11.431 1.00 1.00 H new ATOM 1226 N VAL A 78 -13.717 0.144 -5.552 1.00 1.00 N ATOM 1227 CA VAL A 78 -14.718 1.207 -5.852 1.00 1.00 C ATOM 1228 C VAL A 78 -14.178 2.569 -5.411 1.00 1.00 C ATOM 1229 O VAL A 78 -13.195 2.644 -4.700 1.00 1.00 O ATOM 1230 CB VAL A 78 -15.955 0.830 -5.039 1.00 1.00 C ATOM 1231 CG1 VAL A 78 -17.158 0.687 -5.974 1.00 1.00 C ATOM 1232 CG2 VAL A 78 -15.707 -0.499 -4.321 1.00 1.00 C ATOM 0 H VAL A 78 -13.214 0.259 -4.672 1.00 1.00 H new ATOM 0 HA VAL A 78 -14.942 1.280 -6.916 1.00 1.00 H new ATOM 0 HB VAL A 78 -16.157 1.609 -4.304 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -18.040 0.418 -5.393 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -17.335 1.633 -6.486 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.957 -0.092 -6.710 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -16.589 -0.769 -3.740 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.504 -1.278 -5.056 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -14.851 -0.398 -3.654 1.00 1.00 H new ATOM 1242 N PRO A 79 -14.845 3.603 -5.842 1.00 1.00 N ATOM 1243 CA PRO A 79 -14.425 4.977 -5.477 1.00 1.00 C ATOM 1244 C PRO A 79 -14.343 5.110 -3.954 1.00 1.00 C ATOM 1245 O PRO A 79 -15.346 5.120 -3.269 1.00 1.00 O ATOM 1246 CB PRO A 79 -15.533 5.866 -6.043 1.00 1.00 C ATOM 1247 CG PRO A 79 -16.227 5.035 -7.076 1.00 1.00 C ATOM 1248 CD PRO A 79 -16.034 3.589 -6.697 1.00 1.00 C ATOM 0 HA PRO A 79 -13.442 5.243 -5.867 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -16.225 6.176 -5.260 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -15.121 6.774 -6.483 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -17.288 5.282 -7.118 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -15.815 5.230 -8.066 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -16.902 3.196 -6.168 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -15.886 2.962 -7.576 1.00 1.00 H new ATOM 1256 N LEU A 80 -13.157 5.206 -3.417 1.00 1.00 N ATOM 1257 CA LEU A 80 -13.017 5.331 -1.939 1.00 1.00 C ATOM 1258 C LEU A 80 -13.941 6.429 -1.406 1.00 1.00 C ATOM 1259 O LEU A 80 -14.445 6.345 -0.302 1.00 1.00 O ATOM 1260 CB LEU A 80 -11.553 5.705 -1.711 1.00 1.00 C ATOM 1261 CG LEU A 80 -11.363 6.172 -0.268 1.00 1.00 C ATOM 1262 CD1 LEU A 80 -11.853 7.614 -0.127 1.00 1.00 C ATOM 1263 CD2 LEU A 80 -12.166 5.268 0.670 1.00 1.00 C ATOM 0 H LEU A 80 -12.280 5.203 -3.938 1.00 1.00 H new ATOM 0 HA LEU A 80 -13.290 4.412 -1.421 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -10.912 4.847 -1.914 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -11.257 6.495 -2.402 1.00 1.00 H new ATOM 0 HG LEU A 80 -10.306 6.121 -0.007 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -11.717 7.946 0.902 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -11.282 8.259 -0.795 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -12.910 7.666 -0.388 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -12.031 5.600 1.699 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -13.223 5.319 0.408 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -11.817 4.240 0.572 1.00 1.00 H new ATOM 1275 N ASN A 81 -14.175 7.452 -2.185 1.00 1.00 N ATOM 1276 CA ASN A 81 -15.074 8.550 -1.724 1.00 1.00 C ATOM 1277 C ASN A 81 -16.479 8.000 -1.477 1.00 1.00 C ATOM 1278 O ASN A 81 -17.214 8.488 -0.642 1.00 1.00 O ATOM 1279 CB ASN A 81 -15.086 9.561 -2.871 1.00 1.00 C ATOM 1280 CG ASN A 81 -13.656 9.791 -3.364 1.00 1.00 C ATOM 1281 OD1 ASN A 81 -12.779 8.989 -3.112 1.00 1.00 O ATOM 1282 ND2 ASN A 81 -13.383 10.861 -4.059 1.00 1.00 N ATOM 0 H ASN A 81 -13.783 7.574 -3.119 1.00 1.00 H new ATOM 0 HA ASN A 81 -14.737 9.002 -0.791 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -15.709 9.194 -3.687 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -15.522 10.502 -2.536 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -12.433 11.025 -4.391 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -14.120 11.534 -4.270 1.00 1.00 H new ATOM 1289 N ILE A 82 -16.850 6.975 -2.192 1.00 1.00 N ATOM 1290 CA ILE A 82 -18.200 6.375 -1.999 1.00 1.00 C ATOM 1291 C ILE A 82 -18.052 4.982 -1.386 1.00 1.00 C ATOM 1292 O ILE A 82 -18.887 4.532 -0.625 1.00 1.00 O ATOM 1293 CB ILE A 82 -18.804 6.288 -3.400 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -19.587 7.569 -3.696 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -19.748 5.087 -3.475 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -20.151 7.506 -5.116 1.00 1.00 C ATOM 0 H ILE A 82 -16.275 6.525 -2.904 1.00 1.00 H new ATOM 0 HA ILE A 82 -18.830 6.961 -1.330 1.00 1.00 H new ATOM 0 HB ILE A 82 -18.006 6.170 -4.133 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -20.397 7.687 -2.976 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -18.937 8.438 -3.590 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -20.179 5.025 -4.474 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -19.192 4.174 -3.262 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -20.546 5.205 -2.742 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -20.709 8.418 -5.327 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -19.332 7.408 -5.829 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -20.815 6.646 -5.206 1.00 1.00 H new ATOM 1308 N ALA A 83 -16.986 4.302 -1.705 1.00 1.00 N ATOM 1309 CA ALA A 83 -16.770 2.944 -1.138 1.00 1.00 C ATOM 1310 C ALA A 83 -16.633 3.035 0.382 1.00 1.00 C ATOM 1311 O ALA A 83 -17.381 2.420 1.119 1.00 1.00 O ATOM 1312 CB ALA A 83 -15.465 2.453 -1.767 1.00 1.00 C ATOM 0 H ALA A 83 -16.254 4.630 -2.335 1.00 1.00 H new ATOM 0 HA ALA A 83 -17.598 2.267 -1.348 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -15.236 1.454 -1.397 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -15.572 2.423 -2.851 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -14.655 3.132 -1.501 1.00 1.00 H new ATOM 1318 N LYS A 84 -15.687 3.796 0.862 1.00 1.00 N ATOM 1319 CA LYS A 84 -15.514 3.921 2.337 1.00 1.00 C ATOM 1320 C LYS A 84 -16.753 4.569 2.958 1.00 1.00 C ATOM 1321 O LYS A 84 -17.109 4.294 4.087 1.00 1.00 O ATOM 1322 CB LYS A 84 -14.289 4.820 2.518 1.00 1.00 C ATOM 1323 CG LYS A 84 -14.696 6.282 2.326 1.00 1.00 C ATOM 1324 CD LYS A 84 -13.442 7.138 2.136 1.00 1.00 C ATOM 1325 CE LYS A 84 -13.474 8.315 3.115 1.00 1.00 C ATOM 1326 NZ LYS A 84 -12.830 9.440 2.383 1.00 1.00 N ATOM 0 H LYS A 84 -15.029 4.335 0.299 1.00 1.00 H new ATOM 0 HA LYS A 84 -15.383 2.954 2.823 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -13.864 4.677 3.511 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -13.516 4.549 1.798 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -15.350 6.378 1.459 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -15.260 6.631 3.191 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -12.549 6.536 2.304 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -13.391 7.505 1.111 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -14.496 8.563 3.401 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -12.934 8.080 4.033 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -13.091 10.341 2.832 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -11.797 9.326 2.411 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -13.152 9.440 1.394 1.00 1.00 H new ATOM 1339 N GLN A 85 -17.420 5.422 2.230 1.00 1.00 N ATOM 1340 CA GLN A 85 -18.638 6.077 2.784 1.00 1.00 C ATOM 1341 C GLN A 85 -19.758 5.048 2.935 1.00 1.00 C ATOM 1342 O GLN A 85 -20.651 5.199 3.744 1.00 1.00 O ATOM 1343 CB GLN A 85 -19.018 7.146 1.760 1.00 1.00 C ATOM 1344 CG GLN A 85 -20.468 7.578 1.985 1.00 1.00 C ATOM 1345 CD GLN A 85 -20.849 8.641 0.952 1.00 1.00 C ATOM 1346 OE1 GLN A 85 -21.559 9.578 1.262 1.00 1.00 O ATOM 1347 NE2 GLN A 85 -20.407 8.533 -0.270 1.00 1.00 N ATOM 0 H GLN A 85 -17.175 5.693 1.278 1.00 1.00 H new ATOM 0 HA GLN A 85 -18.467 6.509 3.770 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -18.353 8.005 1.852 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -18.897 6.756 0.749 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -21.132 6.718 1.900 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -20.588 7.975 2.993 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -19.811 7.747 -0.529 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -20.657 9.235 -0.967 1.00 1.00 H new ATOM 1356 N LEU A 86 -19.708 3.992 2.168 1.00 1.00 N ATOM 1357 CA LEU A 86 -20.761 2.944 2.276 1.00 1.00 C ATOM 1358 C LEU A 86 -20.371 1.931 3.354 1.00 1.00 C ATOM 1359 O LEU A 86 -21.184 1.513 4.154 1.00 1.00 O ATOM 1360 CB LEU A 86 -20.806 2.281 0.902 1.00 1.00 C ATOM 1361 CG LEU A 86 -22.242 1.863 0.583 1.00 1.00 C ATOM 1362 CD1 LEU A 86 -22.285 1.191 -0.791 1.00 1.00 C ATOM 1363 CD2 LEU A 86 -22.734 0.880 1.647 1.00 1.00 C ATOM 0 H LEU A 86 -18.984 3.811 1.473 1.00 1.00 H new ATOM 0 HA LEU A 86 -21.732 3.353 2.555 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -20.440 2.971 0.142 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -20.150 1.410 0.885 1.00 1.00 H new ATOM 0 HG LEU A 86 -22.884 2.744 0.576 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -23.309 0.893 -1.018 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -21.934 1.891 -1.549 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -21.643 0.310 -0.785 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -23.758 0.581 1.421 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -22.092 -0.001 1.653 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -22.704 1.358 2.626 1.00 1.00 H new ATOM 1375 N ALA A 87 -19.127 1.535 3.380 1.00 1.00 N ATOM 1376 CA ALA A 87 -18.677 0.550 4.406 1.00 1.00 C ATOM 1377 C ALA A 87 -18.294 1.272 5.701 1.00 1.00 C ATOM 1378 O ALA A 87 -18.855 1.023 6.750 1.00 1.00 O ATOM 1379 CB ALA A 87 -17.455 -0.133 3.793 1.00 1.00 C ATOM 0 H ALA A 87 -18.403 1.851 2.735 1.00 1.00 H new ATOM 0 HA ALA A 87 -19.459 -0.166 4.660 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -17.065 -0.874 4.490 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -17.741 -0.625 2.863 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -16.686 0.612 3.588 1.00 1.00 H new ATOM 1385 N GLU A 88 -17.338 2.160 5.639 1.00 1.00 N ATOM 1386 CA GLU A 88 -16.916 2.891 6.865 1.00 1.00 C ATOM 1387 C GLU A 88 -18.112 3.135 7.785 1.00 1.00 C ATOM 1388 O GLU A 88 -17.963 3.299 8.980 1.00 1.00 O ATOM 1389 CB GLU A 88 -16.348 4.210 6.357 1.00 1.00 C ATOM 1390 CG GLU A 88 -17.320 5.348 6.681 1.00 1.00 C ATOM 1391 CD GLU A 88 -18.264 5.566 5.498 1.00 1.00 C ATOM 1392 OE1 GLU A 88 -18.613 4.590 4.855 1.00 1.00 O ATOM 1393 OE2 GLU A 88 -18.624 6.707 5.256 1.00 1.00 O ATOM 0 H GLU A 88 -16.831 2.410 4.790 1.00 1.00 H new ATOM 0 HA GLU A 88 -16.187 2.329 7.449 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -15.380 4.403 6.820 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -16.182 4.156 5.281 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -17.892 5.107 7.577 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -16.767 6.263 6.892 1.00 1.00 H new ATOM 1400 N LYS A 89 -19.299 3.147 7.245 1.00 1.00 N ATOM 1401 CA LYS A 89 -20.498 3.363 8.100 1.00 1.00 C ATOM 1402 C LYS A 89 -20.717 2.147 9.000 1.00 1.00 C ATOM 1403 O LYS A 89 -20.099 2.006 10.036 1.00 1.00 O ATOM 1404 CB LYS A 89 -21.661 3.524 7.120 1.00 1.00 C ATOM 1405 CG LYS A 89 -22.867 4.116 7.850 1.00 1.00 C ATOM 1406 CD LYS A 89 -22.399 4.820 9.125 1.00 1.00 C ATOM 1407 CE LYS A 89 -23.544 4.859 10.138 1.00 1.00 C ATOM 1408 NZ LYS A 89 -24.737 5.282 9.352 1.00 1.00 N ATOM 0 H LYS A 89 -19.490 3.017 6.251 1.00 1.00 H new ATOM 0 HA LYS A 89 -20.396 4.231 8.751 1.00 1.00 H new ATOM 0 HB2 LYS A 89 -21.368 4.173 6.295 1.00 1.00 H new ATOM 0 HB3 LYS A 89 -21.923 2.558 6.688 1.00 1.00 H new ATOM 0 HG2 LYS A 89 -23.387 4.822 7.202 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -23.578 3.328 8.098 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -21.543 4.296 9.549 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -22.070 5.833 8.894 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -23.699 3.882 10.597 1.00 1.00 H new ATOM 0 HE3 LYS A 89 -23.334 5.561 10.945 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 -25.428 5.734 9.985 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 -24.447 5.958 8.617 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 -25.171 4.450 8.904 1.00 1.00 H new ATOM 1421 N PHE A 90 -21.591 1.262 8.603 1.00 1.00 N ATOM 1422 CA PHE A 90 -21.851 0.044 9.424 1.00 1.00 C ATOM 1423 C PHE A 90 -21.295 -1.196 8.716 1.00 1.00 C ATOM 1424 O PHE A 90 -21.404 -2.303 9.205 1.00 1.00 O ATOM 1425 CB PHE A 90 -23.374 -0.039 9.535 1.00 1.00 C ATOM 1426 CG PHE A 90 -23.748 -0.841 10.758 1.00 1.00 C ATOM 1427 CD1 PHE A 90 -22.801 -1.067 11.764 1.00 1.00 C ATOM 1428 CD2 PHE A 90 -25.043 -1.358 10.887 1.00 1.00 C ATOM 1429 CE1 PHE A 90 -23.147 -1.810 12.899 1.00 1.00 C ATOM 1430 CE2 PHE A 90 -25.389 -2.101 12.021 1.00 1.00 C ATOM 1431 CZ PHE A 90 -24.443 -2.328 13.027 1.00 1.00 C ATOM 0 H PHE A 90 -22.137 1.330 7.744 1.00 1.00 H new ATOM 0 HA PHE A 90 -21.373 0.093 10.403 1.00 1.00 H new ATOM 0 HB2 PHE A 90 -23.799 0.962 9.600 1.00 1.00 H new ATOM 0 HB3 PHE A 90 -23.789 -0.504 8.641 1.00 1.00 H new ATOM 0 HD1 PHE A 90 -21.802 -0.668 11.664 1.00 1.00 H new ATOM 0 HD2 PHE A 90 -25.774 -1.183 10.112 1.00 1.00 H new ATOM 0 HE1 PHE A 90 -22.416 -1.984 13.675 1.00 1.00 H new ATOM 0 HE2 PHE A 90 -26.388 -2.500 12.120 1.00 1.00 H new ATOM 0 HZ PHE A 90 -24.711 -2.902 13.902 1.00 1.00 H new ATOM 1441 N SER A 91 -20.708 -1.018 7.564 1.00 1.00 N ATOM 1442 CA SER A 91 -20.155 -2.181 6.817 1.00 1.00 C ATOM 1443 C SER A 91 -18.877 -2.695 7.487 1.00 1.00 C ATOM 1444 O SER A 91 -18.882 -3.708 8.158 1.00 1.00 O ATOM 1445 CB SER A 91 -19.848 -1.643 5.421 1.00 1.00 C ATOM 1446 OG SER A 91 -18.490 -1.226 5.367 1.00 1.00 O ATOM 0 H SER A 91 -20.588 -0.114 7.107 1.00 1.00 H new ATOM 0 HA SER A 91 -20.852 -3.019 6.791 1.00 1.00 H new ATOM 0 HB2 SER A 91 -20.034 -2.413 4.673 1.00 1.00 H new ATOM 0 HB3 SER A 91 -20.507 -0.807 5.188 1.00 1.00 H new ATOM 0 HG SER A 91 -18.025 -1.716 4.657 1.00 1.00 H new ATOM 1452 N VAL A 92 -17.783 -2.007 7.309 1.00 1.00 N ATOM 1453 CA VAL A 92 -16.507 -2.460 7.934 1.00 1.00 C ATOM 1454 C VAL A 92 -15.989 -1.398 8.909 1.00 1.00 C ATOM 1455 O VAL A 92 -14.874 -1.469 9.385 1.00 1.00 O ATOM 1456 CB VAL A 92 -15.536 -2.636 6.767 1.00 1.00 C ATOM 1457 CG1 VAL A 92 -15.128 -4.106 6.659 1.00 1.00 C ATOM 1458 CG2 VAL A 92 -16.217 -2.200 5.469 1.00 1.00 C ATOM 0 H VAL A 92 -17.717 -1.151 6.758 1.00 1.00 H new ATOM 0 HA VAL A 92 -16.630 -3.381 8.504 1.00 1.00 H new ATOM 0 HB VAL A 92 -14.649 -2.025 6.937 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -14.436 -4.231 5.827 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -14.643 -4.418 7.584 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -16.014 -4.718 6.489 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -15.526 -2.325 4.636 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -17.103 -2.811 5.300 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -16.508 -1.152 5.545 1.00 1.00 H new ATOM 1468 N TYR A 93 -16.794 -0.417 9.211 1.00 1.00 N ATOM 1469 CA TYR A 93 -16.352 0.649 10.157 1.00 1.00 C ATOM 1470 C TYR A 93 -15.542 0.037 11.303 1.00 1.00 C ATOM 1471 O TYR A 93 -14.676 0.671 11.872 1.00 1.00 O ATOM 1472 CB TYR A 93 -17.646 1.267 10.687 1.00 1.00 C ATOM 1473 CG TYR A 93 -17.749 1.023 12.173 1.00 1.00 C ATOM 1474 CD1 TYR A 93 -18.156 -0.230 12.650 1.00 1.00 C ATOM 1475 CD2 TYR A 93 -17.439 2.047 13.075 1.00 1.00 C ATOM 1476 CE1 TYR A 93 -18.251 -0.457 14.028 1.00 1.00 C ATOM 1477 CE2 TYR A 93 -17.535 1.820 14.454 1.00 1.00 C ATOM 1478 CZ TYR A 93 -17.941 0.569 14.929 1.00 1.00 C ATOM 1479 OH TYR A 93 -18.036 0.344 16.288 1.00 1.00 O ATOM 0 H TYR A 93 -17.739 -0.306 8.844 1.00 1.00 H new ATOM 0 HA TYR A 93 -15.712 1.389 9.676 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -17.661 2.337 10.482 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -18.505 0.832 10.176 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -18.396 -1.021 11.955 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -17.126 3.013 12.708 1.00 1.00 H new ATOM 0 HE1 TYR A 93 -18.563 -1.423 14.396 1.00 1.00 H new ATOM 0 HE2 TYR A 93 -17.296 2.611 15.150 1.00 1.00 H new ATOM 0 HH TYR A 93 -17.785 1.158 16.773 1.00 1.00 H new ATOM 1489 N ASP A 94 -15.818 -1.191 11.645 1.00 1.00 N ATOM 1490 CA ASP A 94 -15.064 -1.844 12.754 1.00 1.00 C ATOM 1491 C ASP A 94 -13.832 -2.571 12.205 1.00 1.00 C ATOM 1492 O ASP A 94 -12.711 -2.279 12.572 1.00 1.00 O ATOM 1493 CB ASP A 94 -16.046 -2.842 13.366 1.00 1.00 C ATOM 1494 CG ASP A 94 -15.571 -4.268 13.083 1.00 1.00 C ATOM 1495 OD1 ASP A 94 -14.535 -4.641 13.609 1.00 1.00 O ATOM 1496 OD2 ASP A 94 -16.250 -4.962 12.345 1.00 1.00 O ATOM 0 H ASP A 94 -16.533 -1.771 11.205 1.00 1.00 H new ATOM 0 HA ASP A 94 -14.704 -1.123 13.487 1.00 1.00 H new ATOM 0 HB2 ASP A 94 -16.122 -2.680 14.441 1.00 1.00 H new ATOM 0 HB3 ASP A 94 -17.042 -2.690 12.949 1.00 1.00 H new ATOM 1501 N GLN A 95 -14.033 -3.519 11.332 1.00 1.00 N ATOM 1502 CA GLN A 95 -12.876 -4.271 10.764 1.00 1.00 C ATOM 1503 C GLN A 95 -11.881 -3.310 10.105 1.00 1.00 C ATOM 1504 O GLN A 95 -10.685 -3.430 10.278 1.00 1.00 O ATOM 1505 CB GLN A 95 -13.484 -5.211 9.724 1.00 1.00 C ATOM 1506 CG GLN A 95 -15.009 -5.168 9.822 1.00 1.00 C ATOM 1507 CD GLN A 95 -15.593 -6.482 9.299 1.00 1.00 C ATOM 1508 OE1 GLN A 95 -15.965 -7.344 10.070 1.00 1.00 O ATOM 1509 NE2 GLN A 95 -15.688 -6.673 8.011 1.00 1.00 N ATOM 0 H GLN A 95 -14.949 -3.807 10.986 1.00 1.00 H new ATOM 0 HA GLN A 95 -12.325 -4.814 11.532 1.00 1.00 H new ATOM 0 HB2 GLN A 95 -13.166 -4.918 8.724 1.00 1.00 H new ATOM 0 HB3 GLN A 95 -13.128 -6.228 9.886 1.00 1.00 H new ATOM 0 HG2 GLN A 95 -15.313 -5.009 10.857 1.00 1.00 H new ATOM 0 HG3 GLN A 95 -15.397 -4.330 9.244 1.00 1.00 H new ATOM 0 HE21 GLN A 95 -15.376 -5.949 7.364 1.00 1.00 H new ATOM 0 HE22 GLN A 95 -16.075 -7.546 7.652 1.00 1.00 H new ATOM 1518 N LEU A 96 -12.363 -2.361 9.351 1.00 1.00 N ATOM 1519 CA LEU A 96 -11.438 -1.401 8.684 1.00 1.00 C ATOM 1520 C LEU A 96 -11.047 -0.280 9.649 1.00 1.00 C ATOM 1521 O LEU A 96 -10.829 0.847 9.249 1.00 1.00 O ATOM 1522 CB LEU A 96 -12.230 -0.839 7.503 1.00 1.00 C ATOM 1523 CG LEU A 96 -13.718 -0.818 7.853 1.00 1.00 C ATOM 1524 CD1 LEU A 96 -13.955 0.140 9.021 1.00 1.00 C ATOM 1525 CD2 LEU A 96 -14.520 -0.345 6.637 1.00 1.00 C ATOM 0 H LEU A 96 -13.355 -2.209 9.168 1.00 1.00 H new ATOM 0 HA LEU A 96 -10.512 -1.879 8.363 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -11.886 0.168 7.267 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -12.063 -1.449 6.615 1.00 1.00 H new ATOM 0 HG LEU A 96 -14.039 -1.821 8.135 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -15.016 0.155 9.270 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -13.384 -0.194 9.887 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -13.635 1.143 8.740 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -15.581 -0.329 6.885 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -14.198 0.658 6.357 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -14.352 -1.026 5.803 1.00 1.00 H new ATOM 1537 N LYS A 97 -10.950 -0.577 10.916 1.00 1.00 N ATOM 1538 CA LYS A 97 -10.566 0.477 11.898 1.00 1.00 C ATOM 1539 C LYS A 97 -9.167 1.006 11.575 1.00 1.00 C ATOM 1540 O LYS A 97 -8.988 2.183 11.331 1.00 1.00 O ATOM 1541 CB LYS A 97 -10.577 -0.224 13.257 1.00 1.00 C ATOM 1542 CG LYS A 97 -9.319 0.158 14.039 1.00 1.00 C ATOM 1543 CD LYS A 97 -9.440 -0.346 15.478 1.00 1.00 C ATOM 1544 CE LYS A 97 -10.842 -0.917 15.704 1.00 1.00 C ATOM 1545 NZ LYS A 97 -10.767 -1.618 17.015 1.00 1.00 N ATOM 0 H LYS A 97 -11.119 -1.501 11.313 1.00 1.00 H new ATOM 0 HA LYS A 97 -11.243 1.331 11.878 1.00 1.00 H new ATOM 0 HB2 LYS A 97 -11.467 0.061 13.818 1.00 1.00 H new ATOM 0 HB3 LYS A 97 -10.619 -1.305 13.120 1.00 1.00 H new ATOM 0 HG2 LYS A 97 -8.438 -0.273 13.564 1.00 1.00 H new ATOM 0 HG3 LYS A 97 -9.188 1.240 14.031 1.00 1.00 H new ATOM 0 HD2 LYS A 97 -8.689 -1.112 15.670 1.00 1.00 H new ATOM 0 HD3 LYS A 97 -9.251 0.469 16.177 1.00 1.00 H new ATOM 0 HE2 LYS A 97 -11.592 -0.126 15.722 1.00 1.00 H new ATOM 0 HE3 LYS A 97 -11.122 -1.604 14.905 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 -11.693 -2.036 17.239 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 -10.050 -2.370 16.966 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 -10.506 -0.938 17.758 1.00 1.00 H new ATOM 1558 N PRO A 98 -8.219 0.109 11.582 1.00 1.00 N ATOM 1559 CA PRO A 98 -6.814 0.479 11.283 1.00 1.00 C ATOM 1560 C PRO A 98 -6.694 1.002 9.848 1.00 1.00 C ATOM 1561 O PRO A 98 -6.221 2.096 9.614 1.00 1.00 O ATOM 1562 CB PRO A 98 -6.036 -0.830 11.447 1.00 1.00 C ATOM 1563 CG PRO A 98 -6.962 -1.773 12.152 1.00 1.00 C ATOM 1564 CD PRO A 98 -8.367 -1.318 11.868 1.00 1.00 C ATOM 0 HA PRO A 98 -6.440 1.269 11.934 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -5.735 -1.229 10.478 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -5.125 -0.673 12.024 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -6.811 -2.794 11.801 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -6.767 -1.772 13.224 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -8.798 -1.853 11.022 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -9.023 -1.489 12.721 1.00 1.00 H new ATOM 1572 N LEU A 99 -7.118 0.228 8.885 1.00 1.00 N ATOM 1573 CA LEU A 99 -7.027 0.682 7.467 1.00 1.00 C ATOM 1574 C LEU A 99 -7.590 2.097 7.325 1.00 1.00 C ATOM 1575 O LEU A 99 -7.145 2.874 6.504 1.00 1.00 O ATOM 1576 CB LEU A 99 -7.877 -0.313 6.678 1.00 1.00 C ATOM 1577 CG LEU A 99 -7.271 -0.516 5.289 1.00 1.00 C ATOM 1578 CD1 LEU A 99 -7.219 0.824 4.553 1.00 1.00 C ATOM 1579 CD2 LEU A 99 -5.851 -1.072 5.428 1.00 1.00 C ATOM 0 H LEU A 99 -7.523 -0.698 9.019 1.00 1.00 H new ATOM 0 HA LEU A 99 -5.998 0.714 7.110 1.00 1.00 H new ATOM 0 HB2 LEU A 99 -7.926 -1.265 7.207 1.00 1.00 H new ATOM 0 HB3 LEU A 99 -8.899 0.056 6.590 1.00 1.00 H new ATOM 0 HG LEU A 99 -7.885 -1.218 4.726 1.00 1.00 H new ATOM 0 HD11 LEU A 99 -6.787 0.679 3.563 1.00 1.00 H new ATOM 0 HD12 LEU A 99 -8.228 1.224 4.453 1.00 1.00 H new ATOM 0 HD13 LEU A 99 -6.605 1.526 5.118 1.00 1.00 H new ATOM 0 HD21 LEU A 99 -5.418 -1.217 4.438 1.00 1.00 H new ATOM 0 HD22 LEU A 99 -5.238 -0.369 5.992 1.00 1.00 H new ATOM 0 HD23 LEU A 99 -5.884 -2.027 5.953 1.00 1.00 H new ATOM 1591 N PHE A 100 -8.571 2.437 8.116 1.00 1.00 N ATOM 1592 CA PHE A 100 -9.164 3.802 8.024 1.00 1.00 C ATOM 1593 C PHE A 100 -8.332 4.801 8.831 1.00 1.00 C ATOM 1594 O PHE A 100 -8.252 5.967 8.499 1.00 1.00 O ATOM 1595 CB PHE A 100 -10.564 3.663 8.623 1.00 1.00 C ATOM 1596 CG PHE A 100 -11.586 3.606 7.513 1.00 1.00 C ATOM 1597 CD1 PHE A 100 -11.864 2.388 6.878 1.00 1.00 C ATOM 1598 CD2 PHE A 100 -12.255 4.769 7.118 1.00 1.00 C ATOM 1599 CE1 PHE A 100 -12.811 2.336 5.848 1.00 1.00 C ATOM 1600 CE2 PHE A 100 -13.203 4.717 6.087 1.00 1.00 C ATOM 1601 CZ PHE A 100 -13.481 3.500 5.454 1.00 1.00 C ATOM 0 H PHE A 100 -8.987 1.829 8.822 1.00 1.00 H new ATOM 0 HA PHE A 100 -9.191 4.171 6.999 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -10.622 2.761 9.231 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -10.774 4.506 9.282 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -11.348 1.490 7.183 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -12.041 5.708 7.608 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -13.024 1.398 5.358 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -13.719 5.615 5.781 1.00 1.00 H new ATOM 0 HZ PHE A 100 -14.213 3.459 4.661 1.00 1.00 H new ATOM 1611 N ASP A 101 -7.717 4.357 9.894 1.00 1.00 N ATOM 1612 CA ASP A 101 -6.897 5.287 10.725 1.00 1.00 C ATOM 1613 C ASP A 101 -5.446 5.312 10.232 1.00 1.00 C ATOM 1614 O ASP A 101 -4.863 6.360 10.045 1.00 1.00 O ATOM 1615 CB ASP A 101 -6.973 4.720 12.142 1.00 1.00 C ATOM 1616 CG ASP A 101 -8.276 5.171 12.804 1.00 1.00 C ATOM 1617 OD1 ASP A 101 -9.322 4.957 12.214 1.00 1.00 O ATOM 1618 OD2 ASP A 101 -8.207 5.724 13.889 1.00 1.00 O ATOM 0 H ASP A 101 -7.746 3.392 10.223 1.00 1.00 H new ATOM 0 HA ASP A 101 -7.262 6.313 10.674 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -6.926 3.631 12.112 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -6.119 5.060 12.727 1.00 1.00 H new ATOM 1623 N PHE A 102 -4.857 4.165 10.028 1.00 1.00 N ATOM 1624 CA PHE A 102 -3.443 4.127 9.556 1.00 1.00 C ATOM 1625 C PHE A 102 -2.546 3.525 10.641 1.00 1.00 C ATOM 1626 O PHE A 102 -2.414 4.066 11.721 1.00 1.00 O ATOM 1627 CB PHE A 102 -3.070 5.589 9.304 1.00 1.00 C ATOM 1628 CG PHE A 102 -4.001 6.178 8.272 1.00 1.00 C ATOM 1629 CD1 PHE A 102 -4.554 5.359 7.279 1.00 1.00 C ATOM 1630 CD2 PHE A 102 -4.313 7.542 8.307 1.00 1.00 C ATOM 1631 CE1 PHE A 102 -5.418 5.905 6.322 1.00 1.00 C ATOM 1632 CE2 PHE A 102 -5.176 8.088 7.351 1.00 1.00 C ATOM 1633 CZ PHE A 102 -5.729 7.270 6.358 1.00 1.00 C ATOM 0 H PHE A 102 -5.293 3.254 10.168 1.00 1.00 H new ATOM 0 HA PHE A 102 -3.320 3.516 8.662 1.00 1.00 H new ATOM 0 HB2 PHE A 102 -3.134 6.156 10.232 1.00 1.00 H new ATOM 0 HB3 PHE A 102 -2.038 5.657 8.959 1.00 1.00 H new ATOM 0 HD1 PHE A 102 -4.314 4.306 7.252 1.00 1.00 H new ATOM 0 HD2 PHE A 102 -3.887 8.173 9.073 1.00 1.00 H new ATOM 0 HE1 PHE A 102 -5.844 5.274 5.556 1.00 1.00 H new ATOM 0 HE2 PHE A 102 -5.416 9.141 7.379 1.00 1.00 H new ATOM 0 HZ PHE A 102 -6.395 7.692 5.620 1.00 1.00 H new ATOM 1643 N THR A 103 -1.935 2.406 10.366 1.00 1.00 N ATOM 1644 CA THR A 103 -1.054 1.770 11.389 1.00 1.00 C ATOM 1645 C THR A 103 0.290 2.497 11.458 1.00 1.00 C ATOM 1646 O THR A 103 1.043 2.528 10.505 1.00 1.00 O ATOM 1647 CB THR A 103 -0.862 0.331 10.907 1.00 1.00 C ATOM 1648 OG1 THR A 103 0.141 -0.299 11.692 1.00 1.00 O ATOM 1649 CG2 THR A 103 -0.435 0.334 9.438 1.00 1.00 C ATOM 0 H THR A 103 -2.006 1.905 9.481 1.00 1.00 H new ATOM 0 HA THR A 103 -1.487 1.811 12.388 1.00 1.00 H new ATOM 0 HB THR A 103 -1.800 -0.214 11.008 1.00 1.00 H new ATOM 0 HG1 THR A 103 0.425 -1.129 11.255 1.00 1.00 H new ATOM 0 HG21 THR A 103 -0.299 -0.692 9.097 1.00 1.00 H new ATOM 0 HG22 THR A 103 -1.205 0.817 8.836 1.00 1.00 H new ATOM 0 HG23 THR A 103 0.503 0.879 9.333 1.00 1.00 H new ATOM 1657 N GLN A 104 0.598 3.082 12.584 1.00 1.00 N ATOM 1658 CA GLN A 104 1.893 3.807 12.722 1.00 1.00 C ATOM 1659 C GLN A 104 2.988 2.846 13.192 1.00 1.00 C ATOM 1660 O GLN A 104 2.713 1.777 13.700 1.00 1.00 O ATOM 1661 CB GLN A 104 1.636 4.883 13.778 1.00 1.00 C ATOM 1662 CG GLN A 104 2.966 5.504 14.209 1.00 1.00 C ATOM 1663 CD GLN A 104 2.949 5.752 15.719 1.00 1.00 C ATOM 1664 OE1 GLN A 104 3.911 5.470 16.404 1.00 1.00 O ATOM 1665 NE2 GLN A 104 1.886 6.273 16.270 1.00 1.00 N ATOM 0 H GLN A 104 0.007 3.089 13.416 1.00 1.00 H new ATOM 0 HA GLN A 104 2.229 4.236 11.778 1.00 1.00 H new ATOM 0 HB2 GLN A 104 0.977 5.652 13.376 1.00 1.00 H new ATOM 0 HB3 GLN A 104 1.129 4.448 14.640 1.00 1.00 H new ATOM 0 HG2 GLN A 104 3.791 4.841 13.948 1.00 1.00 H new ATOM 0 HG3 GLN A 104 3.131 6.441 13.678 1.00 1.00 H new ATOM 0 HE21 GLN A 104 1.078 6.510 15.695 1.00 1.00 H new ATOM 0 HE22 GLN A 104 1.864 6.443 17.276 1.00 1.00 H new ATOM 1674 N THR A 105 4.229 3.215 13.024 1.00 1.00 N ATOM 1675 CA THR A 105 5.339 2.319 13.460 1.00 1.00 C ATOM 1676 C THR A 105 5.610 2.493 14.957 1.00 1.00 C ATOM 1677 O THR A 105 5.601 3.592 15.476 1.00 1.00 O ATOM 1678 CB THR A 105 6.551 2.763 12.641 1.00 1.00 C ATOM 1679 OG1 THR A 105 6.523 2.124 11.372 1.00 1.00 O ATOM 1680 CG2 THR A 105 7.836 2.384 13.378 1.00 1.00 C ATOM 0 H THR A 105 4.522 4.097 12.604 1.00 1.00 H new ATOM 0 HA THR A 105 5.103 1.267 13.303 1.00 1.00 H new ATOM 0 HB THR A 105 6.521 3.844 12.504 1.00 1.00 H new ATOM 0 HG1 THR A 105 7.080 1.318 11.399 1.00 1.00 H new ATOM 0 HG21 THR A 105 8.699 2.702 12.792 1.00 1.00 H new ATOM 0 HG22 THR A 105 7.857 2.876 14.350 1.00 1.00 H new ATOM 0 HG23 THR A 105 7.870 1.304 13.518 1.00 1.00 H new ATOM 1688 N ASP A 106 5.851 1.416 15.653 1.00 1.00 N ATOM 1689 CA ASP A 106 6.124 1.514 17.116 1.00 1.00 C ATOM 1690 C ASP A 106 7.170 2.600 17.389 1.00 1.00 C ATOM 1691 O ASP A 106 7.850 2.581 18.395 1.00 1.00 O ATOM 1692 CB ASP A 106 6.664 0.139 17.511 1.00 1.00 C ATOM 1693 CG ASP A 106 5.525 -0.715 18.073 1.00 1.00 C ATOM 1694 OD1 ASP A 106 4.457 -0.169 18.294 1.00 1.00 O ATOM 1695 OD2 ASP A 106 5.740 -1.899 18.269 1.00 1.00 O ATOM 0 H ASP A 106 5.871 0.470 15.271 1.00 1.00 H new ATOM 0 HA ASP A 106 5.233 1.782 17.685 1.00 1.00 H new ATOM 0 HB2 ASP A 106 7.107 -0.352 16.645 1.00 1.00 H new ATOM 0 HB3 ASP A 106 7.453 0.247 18.255 1.00 1.00 H new ATOM 1700 N GLY A 107 7.305 3.544 16.499 1.00 1.00 N ATOM 1701 CA GLY A 107 8.307 4.628 16.707 1.00 1.00 C ATOM 1702 C GLY A 107 9.605 4.269 15.983 1.00 1.00 C ATOM 1703 O GLY A 107 10.471 5.100 15.793 1.00 1.00 O ATOM 0 H GLY A 107 6.765 3.612 15.636 1.00 1.00 H new ATOM 0 HA2 GLY A 107 7.918 5.574 16.331 1.00 1.00 H new ATOM 0 HA3 GLY A 107 8.497 4.762 17.772 1.00 1.00 H new ATOM 1707 N SER A 108 9.746 3.038 15.571 1.00 1.00 N ATOM 1708 CA SER A 108 10.988 2.631 14.853 1.00 1.00 C ATOM 1709 C SER A 108 10.841 2.914 13.356 1.00 1.00 C ATOM 1710 O SER A 108 9.821 2.629 12.760 1.00 1.00 O ATOM 1711 CB SER A 108 11.119 1.130 15.107 1.00 1.00 C ATOM 1712 OG SER A 108 12.494 0.800 15.261 1.00 1.00 O ATOM 0 H SER A 108 9.056 2.298 15.700 1.00 1.00 H new ATOM 0 HA SER A 108 11.866 3.177 15.197 1.00 1.00 H new ATOM 0 HB2 SER A 108 10.563 0.851 16.002 1.00 1.00 H new ATOM 0 HB3 SER A 108 10.689 0.570 14.277 1.00 1.00 H new ATOM 0 HG SER A 108 12.583 -0.162 15.426 1.00 1.00 H new ATOM 1718 N ALA A 109 11.847 3.475 12.744 1.00 1.00 N ATOM 1719 CA ALA A 109 11.752 3.777 11.287 1.00 1.00 C ATOM 1720 C ALA A 109 11.033 2.640 10.557 1.00 1.00 C ATOM 1721 O ALA A 109 11.523 1.530 10.480 1.00 1.00 O ATOM 1722 CB ALA A 109 13.201 3.888 10.811 1.00 1.00 C ATOM 0 H ALA A 109 12.728 3.737 13.187 1.00 1.00 H new ATOM 0 HA ALA A 109 11.187 4.688 11.090 1.00 1.00 H new ATOM 0 HB1 ALA A 109 13.217 4.110 9.744 1.00 1.00 H new ATOM 0 HB2 ALA A 109 13.703 4.688 11.356 1.00 1.00 H new ATOM 0 HB3 ALA A 109 13.717 2.945 10.994 1.00 1.00 H new ATOM 1728 N SER A 110 9.877 2.909 10.016 1.00 1.00 N ATOM 1729 CA SER A 110 9.126 1.847 9.286 1.00 1.00 C ATOM 1730 C SER A 110 8.965 2.236 7.814 1.00 1.00 C ATOM 1731 O SER A 110 8.319 3.218 7.501 1.00 1.00 O ATOM 1732 CB SER A 110 7.766 1.779 9.977 1.00 1.00 C ATOM 1733 OG SER A 110 7.911 1.134 11.237 1.00 1.00 O ATOM 0 H SER A 110 9.419 3.820 10.048 1.00 1.00 H new ATOM 0 HA SER A 110 9.640 0.886 9.306 1.00 1.00 H new ATOM 0 HB2 SER A 110 7.364 2.783 10.113 1.00 1.00 H new ATOM 0 HB3 SER A 110 7.056 1.233 9.355 1.00 1.00 H new ATOM 0 HG SER A 110 7.025 0.932 11.605 1.00 1.00 H new ATOM 1739 N PRO A 111 9.557 1.451 6.958 1.00 1.00 N ATOM 1740 CA PRO A 111 9.475 1.724 5.502 1.00 1.00 C ATOM 1741 C PRO A 111 8.029 1.584 5.016 1.00 1.00 C ATOM 1742 O PRO A 111 7.536 0.488 4.835 1.00 1.00 O ATOM 1743 CB PRO A 111 10.364 0.650 4.873 1.00 1.00 C ATOM 1744 CG PRO A 111 10.526 -0.407 5.920 1.00 1.00 C ATOM 1745 CD PRO A 111 10.347 0.257 7.260 1.00 1.00 C ATOM 0 HA PRO A 111 9.792 2.734 5.241 1.00 1.00 H new ATOM 0 HB2 PRO A 111 9.906 0.242 3.972 1.00 1.00 H new ATOM 0 HB3 PRO A 111 11.330 1.063 4.581 1.00 1.00 H new ATOM 0 HG2 PRO A 111 9.790 -1.199 5.783 1.00 1.00 H new ATOM 0 HG3 PRO A 111 11.510 -0.870 5.849 1.00 1.00 H new ATOM 0 HD2 PRO A 111 9.831 -0.396 7.964 1.00 1.00 H new ATOM 0 HD3 PRO A 111 11.306 0.515 7.709 1.00 1.00 H new ATOM 1753 N PRO A 112 7.400 2.711 4.821 1.00 1.00 N ATOM 1754 CA PRO A 112 5.996 2.731 4.350 1.00 1.00 C ATOM 1755 C PRO A 112 5.938 2.573 2.827 1.00 1.00 C ATOM 1756 O PRO A 112 6.631 3.262 2.106 1.00 1.00 O ATOM 1757 CB PRO A 112 5.511 4.115 4.765 1.00 1.00 C ATOM 1758 CG PRO A 112 6.742 4.969 4.810 1.00 1.00 C ATOM 1759 CD PRO A 112 7.930 4.061 5.027 1.00 1.00 C ATOM 0 HA PRO A 112 5.392 1.923 4.762 1.00 1.00 H new ATOM 0 HB2 PRO A 112 4.786 4.508 4.052 1.00 1.00 H new ATOM 0 HB3 PRO A 112 5.018 4.084 5.737 1.00 1.00 H new ATOM 0 HG2 PRO A 112 6.853 5.527 3.880 1.00 1.00 H new ATOM 0 HG3 PRO A 112 6.669 5.701 5.614 1.00 1.00 H new ATOM 0 HD2 PRO A 112 8.734 4.284 4.325 1.00 1.00 H new ATOM 0 HD3 PRO A 112 8.341 4.178 6.030 1.00 1.00 H new ATOM 1767 N PRO A 113 5.103 1.669 2.390 1.00 1.00 N ATOM 1768 CA PRO A 113 4.946 1.421 0.936 1.00 1.00 C ATOM 1769 C PRO A 113 4.296 2.631 0.263 1.00 1.00 C ATOM 1770 O PRO A 113 4.889 3.284 -0.573 1.00 1.00 O ATOM 1771 CB PRO A 113 4.029 0.203 0.865 1.00 1.00 C ATOM 1772 CG PRO A 113 3.336 0.149 2.190 1.00 1.00 C ATOM 1773 CD PRO A 113 4.242 0.805 3.199 1.00 1.00 C ATOM 0 HA PRO A 113 5.895 1.256 0.427 1.00 1.00 H new ATOM 0 HB2 PRO A 113 3.311 0.299 0.050 1.00 1.00 H new ATOM 0 HB3 PRO A 113 4.599 -0.708 0.683 1.00 1.00 H new ATOM 0 HG2 PRO A 113 2.377 0.665 2.143 1.00 1.00 H new ATOM 0 HG3 PRO A 113 3.129 -0.883 2.473 1.00 1.00 H new ATOM 0 HD2 PRO A 113 3.675 1.379 3.931 1.00 1.00 H new ATOM 0 HD3 PRO A 113 4.823 0.068 3.753 1.00 1.00 H new ATOM 1781 N ALA A 114 3.074 2.926 0.610 1.00 1.00 N ATOM 1782 CA ALA A 114 2.375 4.083 -0.020 1.00 1.00 C ATOM 1783 C ALA A 114 3.388 5.137 -0.477 1.00 1.00 C ATOM 1784 O ALA A 114 4.205 5.595 0.297 1.00 1.00 O ATOM 1785 CB ALA A 114 1.479 4.648 1.083 1.00 1.00 C ATOM 0 H ALA A 114 2.528 2.415 1.304 1.00 1.00 H new ATOM 0 HA ALA A 114 1.807 3.789 -0.902 1.00 1.00 H new ATOM 0 HB1 ALA A 114 0.927 5.506 0.700 1.00 1.00 H new ATOM 0 HB2 ALA A 114 0.776 3.881 1.409 1.00 1.00 H new ATOM 0 HB3 ALA A 114 2.094 4.960 1.927 1.00 1.00 H new ATOM 1791 N PRO A 115 3.294 5.483 -1.733 1.00 1.00 N ATOM 1792 CA PRO A 115 4.210 6.490 -2.323 1.00 1.00 C ATOM 1793 C PRO A 115 4.191 7.784 -1.505 1.00 1.00 C ATOM 1794 O PRO A 115 3.325 7.997 -0.679 1.00 1.00 O ATOM 1795 CB PRO A 115 3.647 6.728 -3.724 1.00 1.00 C ATOM 1796 CG PRO A 115 2.805 5.529 -4.025 1.00 1.00 C ATOM 1797 CD PRO A 115 2.331 4.968 -2.710 1.00 1.00 C ATOM 0 HA PRO A 115 5.247 6.155 -2.339 1.00 1.00 H new ATOM 0 HB2 PRO A 115 3.055 7.642 -3.759 1.00 1.00 H new ATOM 0 HB3 PRO A 115 4.448 6.839 -4.455 1.00 1.00 H new ATOM 0 HG2 PRO A 115 1.957 5.803 -4.653 1.00 1.00 H new ATOM 0 HG3 PRO A 115 3.381 4.784 -4.575 1.00 1.00 H new ATOM 0 HD2 PRO A 115 1.317 5.294 -2.480 1.00 1.00 H new ATOM 0 HD3 PRO A 115 2.320 3.878 -2.722 1.00 1.00 H new ATOM 1805 N LYS A 116 5.139 8.650 -1.734 1.00 1.00 N ATOM 1806 CA LYS A 116 5.180 9.934 -0.977 1.00 1.00 C ATOM 1807 C LYS A 116 4.371 11.005 -1.714 1.00 1.00 C ATOM 1808 O LYS A 116 4.887 11.721 -2.548 1.00 1.00 O ATOM 1809 CB LYS A 116 6.658 10.318 -0.927 1.00 1.00 C ATOM 1810 CG LYS A 116 7.326 9.632 0.266 1.00 1.00 C ATOM 1811 CD LYS A 116 7.388 8.123 0.019 1.00 1.00 C ATOM 1812 CE LYS A 116 7.704 7.403 1.332 1.00 1.00 C ATOM 1813 NZ LYS A 116 6.449 7.489 2.129 1.00 1.00 N ATOM 0 H LYS A 116 5.889 8.524 -2.414 1.00 1.00 H new ATOM 0 HA LYS A 116 4.751 9.840 0.021 1.00 1.00 H new ATOM 0 HB2 LYS A 116 7.152 10.023 -1.853 1.00 1.00 H new ATOM 0 HB3 LYS A 116 6.760 11.400 -0.842 1.00 1.00 H new ATOM 0 HG2 LYS A 116 8.331 10.029 0.411 1.00 1.00 H new ATOM 0 HG3 LYS A 116 6.766 9.839 1.178 1.00 1.00 H new ATOM 0 HD2 LYS A 116 6.438 7.770 -0.382 1.00 1.00 H new ATOM 0 HD3 LYS A 116 8.152 7.897 -0.725 1.00 1.00 H new ATOM 0 HE2 LYS A 116 7.989 6.366 1.155 1.00 1.00 H new ATOM 0 HE3 LYS A 116 8.536 7.878 1.853 1.00 1.00 H new ATOM 0 HZ1 LYS A 116 6.662 7.872 3.072 1.00 1.00 H new ATOM 0 HZ2 LYS A 116 5.773 8.114 1.646 1.00 1.00 H new ATOM 0 HZ3 LYS A 116 6.034 6.540 2.227 1.00 1.00 H new ATOM 1826 N HIS A 117 3.105 11.116 -1.416 1.00 1.00 N ATOM 1827 CA HIS A 117 2.265 12.139 -2.104 1.00 1.00 C ATOM 1828 C HIS A 117 1.927 13.282 -1.144 1.00 1.00 C ATOM 1829 O HIS A 117 1.479 13.065 -0.036 1.00 1.00 O ATOM 1830 CB HIS A 117 0.996 11.394 -2.517 1.00 1.00 C ATOM 1831 CG HIS A 117 -0.052 11.560 -1.451 1.00 1.00 C ATOM 1832 ND1 HIS A 117 -0.104 10.743 -0.333 1.00 1.00 N ATOM 1833 CD2 HIS A 117 -1.093 12.444 -1.318 1.00 1.00 C ATOM 1834 CE1 HIS A 117 -1.146 11.148 0.417 1.00 1.00 C ATOM 1835 NE2 HIS A 117 -1.783 12.182 -0.138 1.00 1.00 N ATOM 0 H HIS A 117 2.616 10.544 -0.727 1.00 1.00 H new ATOM 0 HA HIS A 117 2.775 12.584 -2.958 1.00 1.00 H new ATOM 0 HB2 HIS A 117 0.628 11.780 -3.467 1.00 1.00 H new ATOM 0 HB3 HIS A 117 1.214 10.337 -2.666 1.00 1.00 H new ATOM 0 HD2 HIS A 117 -1.340 13.225 -2.022 1.00 1.00 H new ATOM 0 HE1 HIS A 117 -1.432 10.692 1.353 1.00 1.00 H new ATOM 0 HE2 HIS A 117 -2.600 12.674 0.225 1.00 1.00 H new ATOM 1843 N HIS A 118 2.134 14.501 -1.563 1.00 1.00 N ATOM 1844 CA HIS A 118 1.821 15.659 -0.676 1.00 1.00 C ATOM 1845 C HIS A 118 0.399 16.157 -0.942 1.00 1.00 C ATOM 1846 O HIS A 118 -0.148 15.956 -2.009 1.00 1.00 O ATOM 1847 CB HIS A 118 2.843 16.732 -1.050 1.00 1.00 C ATOM 1848 CG HIS A 118 4.232 16.214 -0.799 1.00 1.00 C ATOM 1849 ND1 HIS A 118 5.325 16.639 -1.540 1.00 1.00 N ATOM 1850 CD2 HIS A 118 4.723 15.307 0.107 1.00 1.00 C ATOM 1851 CE1 HIS A 118 6.408 15.993 -1.070 1.00 1.00 C ATOM 1852 NE2 HIS A 118 6.098 15.168 -0.066 1.00 1.00 N ATOM 0 H HIS A 118 2.506 14.745 -2.481 1.00 1.00 H new ATOM 0 HA HIS A 118 1.874 15.397 0.381 1.00 1.00 H new ATOM 0 HB2 HIS A 118 2.730 17.006 -2.099 1.00 1.00 H new ATOM 0 HB3 HIS A 118 2.669 17.634 -0.464 1.00 1.00 H new ATOM 0 HD2 HIS A 118 4.133 14.781 0.843 1.00 1.00 H new ATOM 0 HE1 HIS A 118 7.407 16.126 -1.458 1.00 1.00 H new ATOM 0 HE2 HIS A 118 6.732 14.566 0.460 1.00 1.00 H new ATOM 1860 N HIS A 119 -0.205 16.804 0.017 1.00 1.00 N ATOM 1861 CA HIS A 119 -1.592 17.311 -0.188 1.00 1.00 C ATOM 1862 C HIS A 119 -1.602 18.400 -1.265 1.00 1.00 C ATOM 1863 O HIS A 119 -1.029 19.459 -1.097 1.00 1.00 O ATOM 1864 CB HIS A 119 -2.006 17.891 1.165 1.00 1.00 C ATOM 1865 CG HIS A 119 -1.339 19.224 1.366 1.00 1.00 C ATOM 1866 ND1 HIS A 119 -2.059 20.377 1.632 1.00 1.00 N ATOM 1867 CD2 HIS A 119 -0.020 19.603 1.342 1.00 1.00 C ATOM 1868 CE1 HIS A 119 -1.177 21.386 1.757 1.00 1.00 C ATOM 1869 NE2 HIS A 119 0.080 20.968 1.590 1.00 1.00 N ATOM 0 H HIS A 119 0.200 17.003 0.931 1.00 1.00 H new ATOM 0 HA HIS A 119 -2.273 16.528 -0.521 1.00 1.00 H new ATOM 0 HB2 HIS A 119 -3.089 18.005 1.208 1.00 1.00 H new ATOM 0 HB3 HIS A 119 -1.725 17.208 1.967 1.00 1.00 H new ATOM 0 HD2 HIS A 119 0.814 18.942 1.158 1.00 1.00 H new ATOM 0 HE1 HIS A 119 -1.452 22.409 1.967 1.00 1.00 H new ATOM 0 HE2 HIS A 119 0.931 21.529 1.635 1.00 1.00 H new ATOM 1877 N ALA A 120 -2.247 18.147 -2.370 1.00 1.00 N ATOM 1878 CA ALA A 120 -2.293 19.165 -3.458 1.00 1.00 C ATOM 1879 C ALA A 120 -2.813 20.499 -2.917 1.00 1.00 C ATOM 1880 O ALA A 120 -3.684 20.541 -2.071 1.00 1.00 O ATOM 1881 CB ALA A 120 -3.262 18.593 -4.494 1.00 1.00 C ATOM 0 H ALA A 120 -2.745 17.279 -2.567 1.00 1.00 H new ATOM 0 HA ALA A 120 -1.308 19.359 -3.882 1.00 1.00 H new ATOM 0 HB1 ALA A 120 -3.351 19.286 -5.330 1.00 1.00 H new ATOM 0 HB2 ALA A 120 -2.886 17.636 -4.855 1.00 1.00 H new ATOM 0 HB3 ALA A 120 -4.241 18.449 -4.036 1.00 1.00 H new ATOM 1887 N SER A 121 -2.284 21.590 -3.401 1.00 1.00 N ATOM 1888 CA SER A 121 -2.748 22.922 -2.918 1.00 1.00 C ATOM 1889 C SER A 121 -3.474 23.666 -4.043 1.00 1.00 C ATOM 1890 O SER A 121 -2.859 24.287 -4.886 1.00 1.00 O ATOM 1891 CB SER A 121 -1.474 23.664 -2.519 1.00 1.00 C ATOM 1892 OG SER A 121 -1.568 25.019 -2.938 1.00 1.00 O ATOM 0 H SER A 121 -1.551 21.617 -4.110 1.00 1.00 H new ATOM 0 HA SER A 121 -3.448 22.841 -2.087 1.00 1.00 H new ATOM 0 HB2 SER A 121 -1.334 23.614 -1.439 1.00 1.00 H new ATOM 0 HB3 SER A 121 -0.605 23.190 -2.976 1.00 1.00 H new ATOM 0 HG SER A 121 -1.556 25.060 -3.917 1.00 1.00 H new ATOM 1898 N LYS A 122 -4.778 23.605 -4.062 1.00 1.00 N ATOM 1899 CA LYS A 122 -5.540 24.307 -5.134 1.00 1.00 C ATOM 1900 C LYS A 122 -6.276 25.518 -4.555 1.00 1.00 C ATOM 1901 O LYS A 122 -7.140 25.387 -3.711 1.00 1.00 O ATOM 1902 CB LYS A 122 -6.538 23.270 -5.651 1.00 1.00 C ATOM 1903 CG LYS A 122 -5.816 22.273 -6.560 1.00 1.00 C ATOM 1904 CD LYS A 122 -6.810 21.219 -7.054 1.00 1.00 C ATOM 1905 CE LYS A 122 -7.227 21.543 -8.490 1.00 1.00 C ATOM 1906 NZ LYS A 122 -7.444 20.219 -9.134 1.00 1.00 N ATOM 0 H LYS A 122 -5.348 23.100 -3.383 1.00 1.00 H new ATOM 0 HA LYS A 122 -4.891 24.680 -5.926 1.00 1.00 H new ATOM 0 HB2 LYS A 122 -7.000 22.746 -4.814 1.00 1.00 H new ATOM 0 HB3 LYS A 122 -7.340 23.764 -6.200 1.00 1.00 H new ATOM 0 HG2 LYS A 122 -5.371 22.794 -7.408 1.00 1.00 H new ATOM 0 HG3 LYS A 122 -5.001 21.794 -6.017 1.00 1.00 H new ATOM 0 HD2 LYS A 122 -6.357 20.228 -7.010 1.00 1.00 H new ATOM 0 HD3 LYS A 122 -7.686 21.198 -6.406 1.00 1.00 H new ATOM 0 HE2 LYS A 122 -8.135 22.146 -8.511 1.00 1.00 H new ATOM 0 HE3 LYS A 122 -6.454 22.112 -9.007 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 -7.733 20.357 -10.123 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 -6.561 19.670 -9.105 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 -8.190 19.703 -8.624 1.00 1.00 H new ATOM 1919 N VAL A 123 -5.941 26.696 -5.005 1.00 1.00 N ATOM 1920 CA VAL A 123 -6.622 27.916 -4.482 1.00 1.00 C ATOM 1921 C VAL A 123 -8.077 27.951 -4.957 1.00 1.00 C ATOM 1922 O VAL A 123 -8.365 27.755 -6.121 1.00 1.00 O ATOM 1923 CB VAL A 123 -5.837 29.089 -5.067 1.00 1.00 C ATOM 1924 CG1 VAL A 123 -6.630 29.711 -6.217 1.00 1.00 C ATOM 1925 CG2 VAL A 123 -5.608 30.140 -3.979 1.00 1.00 C ATOM 0 H VAL A 123 -5.226 26.867 -5.712 1.00 1.00 H new ATOM 0 HA VAL A 123 -6.643 27.944 -3.393 1.00 1.00 H new ATOM 0 HB VAL A 123 -4.876 28.734 -5.439 1.00 1.00 H new ATOM 0 HG11 VAL A 123 -6.070 30.548 -6.634 1.00 1.00 H new ATOM 0 HG12 VAL A 123 -6.795 28.962 -6.992 1.00 1.00 H new ATOM 0 HG13 VAL A 123 -7.591 30.067 -5.846 1.00 1.00 H new ATOM 0 HG21 VAL A 123 -5.048 30.978 -4.395 1.00 1.00 H new ATOM 0 HG22 VAL A 123 -6.569 30.495 -3.608 1.00 1.00 H new ATOM 0 HG23 VAL A 123 -5.043 29.697 -3.159 1.00 1.00 H new ATOM 1935 N ASP A 124 -8.997 28.201 -4.066 1.00 1.00 N ATOM 1936 CA ASP A 124 -10.432 28.249 -4.468 1.00 1.00 C ATOM 1937 C ASP A 124 -10.721 29.538 -5.242 1.00 1.00 C ATOM 1938 O ASP A 124 -11.068 29.441 -6.407 1.00 1.00 O ATOM 1939 CB ASP A 124 -11.213 28.225 -3.154 1.00 1.00 C ATOM 1940 CG ASP A 124 -10.262 28.508 -1.989 1.00 1.00 C ATOM 1941 OD1 ASP A 124 -9.132 28.884 -2.251 1.00 1.00 O ATOM 1942 OD2 ASP A 124 -10.681 28.344 -0.854 1.00 1.00 O ATOM 0 H ASP A 124 -8.817 28.374 -3.077 1.00 1.00 H new ATOM 0 HA ASP A 124 -10.707 27.419 -5.120 1.00 1.00 H new ATOM 0 HB2 ASP A 124 -12.008 28.970 -3.178 1.00 1.00 H new ATOM 0 HB3 ASP A 124 -11.690 27.254 -3.020 1.00 1.00 H new TER 1947 ASP A 124