USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 0 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 113 SER OG : rot 84:sc= 0.0957 USER MOD Set 1.2: A 116 HIS : no HE2:sc= -2.87 K(o=-3.9,f=-2.3!) USER MOD Set 1.3: A 119 LYS NZ :NH3+ -143:sc= -1.16 (180deg=0) USER MOD Set 2.1: A 109 ASN : amide:sc= 1.09 K(o=1.8,f=-0.28) USER MOD Set 2.2: A 111 TYR OH : rot 31:sc= 0.726 USER MOD Set 3.1: A 106 ASN : amide:sc= 0.174 K(o=1.3,f=-1.4!) USER MOD Set 3.2: A 107 HIS : no HD1:sc= 1.08 K(o=1.3,f=-4.3!) USER MOD Set 4.1: A 90 SER OG : rot -89:sc= 1.86 USER MOD Set 4.2: A 92 THR OG1 : rot 44:sc= 0.823 USER MOD Set 5.1: A 72 SER OG : rot -88:sc= 1.02 USER MOD Set 5.2: A 75 THR OG1 : rot 162:sc= 0.48 USER MOD Set 6.1: A 52 SER OG : rot 120:sc= 0.0223 USER MOD Set 6.2: A 54 GLN : amide:sc= 1.1 K(o=-3.3,f=-5.2) USER MOD Set 6.3: A 55 HIS : no HD1:sc= -4.41! C(o=-3.3!,f=-4.9!) USER MOD Set 7.1: A 30 CYS SG : rot 156:sc= 0.0223! USER MOD Set 7.2: A 32 ASN : amide:sc= -1.73! C(o=-5.1!,f=-5.2!) USER MOD Set 7.3: A 35 HIS : no HE2:sc= -3.35 K(o=-5.1,f=-7.5!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0.158 USER MOD Single : A 31 SER OG : rot -96:sc= 0.901 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 57 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.31) USER MOD Single : A 59 GLN : amide:sc= -0.258 K(o=-0.26,f=-2.8!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.145 USER MOD Single : A 69 TYR OH : rot 145:sc= 1.19 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00974 USER MOD Single : A 77 GLN : amide:sc= -3.4! C(o=-3.4!,f=-5.3!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -140:sc= -1.31 (180deg=-3.59!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00205 USER MOD Single : A 88 TYR OH : rot 15:sc= 1.24 USER MOD Single : A 91 GLN : amide:sc= -1.86! C(o=-1.9!,f=-1.5!) USER MOD Single : A 94 ASN : amide:sc= -1.44 K(o=-1.4,f=-5.5!) USER MOD Single : A 97 CYS SG : rot -19:sc= -3.08! USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 173:sc= -0.24 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 144:sc= -0.194 (180deg=-0.937) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -176:sc= -0.379 (180deg=-0.394) USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 SER OG : rot 104:sc= 1.05 USER MOD Single : A 131 CYS SG : rot -10:sc= -3.25! USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 143:sc= 0.903 USER MOD Single : A 138 HIS : no HE2:sc= 0.59 K(o=0.59,f=-2.1!) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 GLN : amide:sc= 0.132 K(o=0.13,f=-1.3) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 SER OG : rot 53:sc= 0.555 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 28 -8.227 8.132 7.318 1.00 0.00 N ATOM 2 CA LEU A 28 -9.403 7.635 6.564 1.00 0.00 C ATOM 3 C LEU A 28 -9.314 7.639 5.023 1.00 0.00 C ATOM 4 O LEU A 28 -10.311 7.649 4.307 1.00 0.00 O ATOM 5 CB LEU A 28 -10.629 8.417 7.032 1.00 0.00 C ATOM 6 CG LEU A 28 -11.056 7.960 8.426 1.00 0.00 C ATOM 7 CD1 LEU A 28 -11.695 9.120 9.188 1.00 0.00 C ATOM 8 CD2 LEU A 28 -11.988 6.754 8.344 1.00 0.00 C ATOM 0 HA LEU A 28 -9.463 6.571 6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.404 9.483 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.449 8.273 6.329 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.171 7.643 8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.995 8.782 10.180 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.975 9.933 9.284 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.571 9.474 8.645 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.277 6.449 9.350 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.879 7.021 7.775 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.474 5.930 7.848 1.00 0.00 H new ATOM 9 N TYR A 29 -8.132 7.288 4.550 1.00 0.00 N ATOM 10 CA TYR A 29 -7.775 7.318 3.119 1.00 0.00 C ATOM 11 C TYR A 29 -8.065 5.991 2.394 1.00 0.00 C ATOM 12 O TYR A 29 -7.456 5.662 1.374 1.00 0.00 O ATOM 13 CB TYR A 29 -6.276 7.644 3.077 1.00 0.00 C ATOM 14 CG TYR A 29 -5.896 8.636 1.976 1.00 0.00 C ATOM 15 CD1 TYR A 29 -6.627 9.843 1.831 1.00 0.00 C ATOM 16 CD2 TYR A 29 -4.746 8.355 1.212 1.00 0.00 C ATOM 17 CE1 TYR A 29 -6.178 10.796 0.890 1.00 0.00 C ATOM 18 CE2 TYR A 29 -4.294 9.318 0.279 1.00 0.00 C ATOM 19 CZ TYR A 29 -5.028 10.515 0.126 1.00 0.00 C ATOM 20 OH TYR A 29 -4.665 11.408 -0.826 1.00 0.00 O ATOM 0 H TYR A 29 -7.371 6.967 5.149 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.380 8.059 2.597 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.974 8.052 4.042 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.716 6.720 2.932 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.508 10.029 2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.219 7.421 1.336 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.709 11.727 0.758 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.403 9.141 -0.306 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.855 11.093 -1.278 1.00 0.00 H new ATOM 21 N CYS A 30 -9.160 5.360 2.816 1.00 0.00 N ATOM 22 CA CYS A 30 -9.504 3.972 2.415 1.00 0.00 C ATOM 23 C CYS A 30 -10.933 3.558 2.802 1.00 0.00 C ATOM 24 O CYS A 30 -11.428 3.923 3.872 1.00 0.00 O ATOM 25 CB CYS A 30 -8.589 2.955 3.107 1.00 0.00 C ATOM 26 SG CYS A 30 -8.554 3.170 4.920 1.00 0.00 S ATOM 0 H CYS A 30 -9.841 5.785 3.445 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.391 3.970 1.331 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.927 1.946 2.870 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.578 3.053 2.713 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.217 2.048 5.484 1.00 0.00 H new ATOM 27 N SER A 31 -11.426 2.586 2.039 1.00 0.00 N ATOM 28 CA SER A 31 -12.639 1.818 2.400 1.00 0.00 C ATOM 29 C SER A 31 -12.244 0.480 3.059 1.00 0.00 C ATOM 30 O SER A 31 -12.138 -0.563 2.423 1.00 0.00 O ATOM 31 CB SER A 31 -13.572 1.639 1.202 1.00 0.00 C ATOM 32 OG SER A 31 -12.842 1.164 0.074 1.00 0.00 O ATOM 0 H SER A 31 -11.006 2.301 1.154 1.00 0.00 H new ATOM 0 HA SER A 31 -13.208 2.388 3.135 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.366 0.935 1.453 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.051 2.588 0.961 1.00 0.00 H new ATOM 0 HG SER A 31 -12.593 1.921 -0.497 1.00 0.00 H new ATOM 33 N ASN A 32 -11.643 0.717 4.219 1.00 0.00 N ATOM 34 CA ASN A 32 -11.199 -0.270 5.212 1.00 0.00 C ATOM 35 C ASN A 32 -11.775 0.135 6.597 1.00 0.00 C ATOM 36 O ASN A 32 -12.759 0.868 6.644 1.00 0.00 O ATOM 37 CB ASN A 32 -9.658 -0.285 5.066 1.00 0.00 C ATOM 38 CG ASN A 32 -8.771 -0.196 6.311 1.00 0.00 C ATOM 39 OD1 ASN A 32 -8.363 0.852 6.784 1.00 0.00 O ATOM 40 ND2 ASN A 32 -8.479 -1.316 6.916 1.00 0.00 N ATOM 0 H ASN A 32 -11.436 1.670 4.517 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.556 -1.291 5.078 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.391 -1.203 4.542 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.386 0.545 4.414 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.919 -1.304 7.768 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.811 -2.202 6.536 1.00 0.00 H new ATOM 41 N GLY A 33 -11.181 -0.346 7.696 1.00 0.00 N ATOM 42 CA GLY A 33 -11.473 0.144 9.064 1.00 0.00 C ATOM 43 C GLY A 33 -11.326 1.676 9.123 1.00 0.00 C ATOM 44 O GLY A 33 -12.072 2.372 9.814 1.00 0.00 O ATOM 0 H GLY A 33 -10.481 -1.088 7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.484 -0.143 9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.793 -0.322 9.778 1.00 0.00 H new ATOM 45 N GLY A 34 -10.241 2.124 8.502 1.00 0.00 N ATOM 46 CA GLY A 34 -10.032 3.494 8.048 1.00 0.00 C ATOM 47 C GLY A 34 -8.735 4.102 8.574 1.00 0.00 C ATOM 48 O GLY A 34 -8.660 4.563 9.715 1.00 0.00 O ATOM 0 H GLY A 34 -9.449 1.516 8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.020 3.513 6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.872 4.110 8.368 1.00 0.00 H new ATOM 49 N HIS A 35 -7.693 3.990 7.747 1.00 0.00 N ATOM 50 CA HIS A 35 -6.344 4.469 8.091 1.00 0.00 C ATOM 51 C HIS A 35 -5.719 5.225 6.911 1.00 0.00 C ATOM 52 O HIS A 35 -6.432 5.750 6.056 1.00 0.00 O ATOM 53 CB HIS A 35 -5.490 3.259 8.514 1.00 0.00 C ATOM 54 CG HIS A 35 -6.157 2.365 9.558 1.00 0.00 C ATOM 55 ND1 HIS A 35 -6.972 1.355 9.295 1.00 0.00 N ATOM 56 CD2 HIS A 35 -6.252 2.633 10.849 1.00 0.00 C ATOM 57 CE1 HIS A 35 -7.585 1.008 10.419 1.00 0.00 C ATOM 58 NE2 HIS A 35 -7.143 1.806 11.377 1.00 0.00 N ATOM 0 H HIS A 35 -7.756 3.566 6.821 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.396 5.174 8.921 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.261 2.662 7.631 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.540 3.618 8.911 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -7.106 0.918 8.383 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.700 3.394 11.381 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.313 0.218 10.532 1.00 0.00 H new ATOM 59 N PHE A 36 -4.402 5.112 6.763 1.00 0.00 N ATOM 60 CA PHE A 36 -3.601 5.775 5.733 1.00 0.00 C ATOM 61 C PHE A 36 -2.448 4.836 5.381 1.00 0.00 C ATOM 62 O PHE A 36 -1.977 4.097 6.245 1.00 0.00 O ATOM 63 CB PHE A 36 -2.991 7.060 6.287 1.00 0.00 C ATOM 64 CG PHE A 36 -3.803 8.318 5.974 1.00 0.00 C ATOM 65 CD1 PHE A 36 -4.771 8.777 6.888 1.00 0.00 C ATOM 66 CD2 PHE A 36 -3.418 9.095 4.858 1.00 0.00 C ATOM 67 CE1 PHE A 36 -5.361 10.046 6.694 1.00 0.00 C ATOM 68 CE2 PHE A 36 -4.004 10.361 4.655 1.00 0.00 C ATOM 69 CZ PHE A 36 -4.976 10.824 5.578 1.00 0.00 C ATOM 0 H PHE A 36 -3.838 4.531 7.383 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.226 6.008 4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.889 6.965 7.368 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.986 7.178 5.881 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.060 8.165 7.729 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.679 8.721 4.165 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.098 10.418 7.391 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.717 10.969 3.810 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.432 11.791 5.425 1.00 0.00 H new ATOM 70 N LEU A 37 -1.998 4.938 4.149 1.00 0.00 N ATOM 71 CA LEU A 37 -0.858 4.124 3.683 1.00 0.00 C ATOM 72 C LEU A 37 0.460 4.841 4.046 1.00 0.00 C ATOM 73 O LEU A 37 1.129 5.465 3.217 1.00 0.00 O ATOM 74 CB LEU A 37 -1.081 3.843 2.194 1.00 0.00 C ATOM 75 CG LEU A 37 -0.026 2.938 1.562 1.00 0.00 C ATOM 76 CD1 LEU A 37 -0.101 1.511 2.094 1.00 0.00 C ATOM 77 CD2 LEU A 37 -0.240 2.952 0.054 1.00 0.00 C ATOM 0 H LEU A 37 -2.389 5.565 3.446 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.783 3.154 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.061 3.384 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.100 4.791 1.656 1.00 0.00 H new ATOM 0 HG LEU A 37 0.965 3.314 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.668 0.904 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.058 1.516 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.083 1.092 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.502 2.312 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.240 2.583 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.135 3.971 -0.319 1.00 0.00 H new ATOM 78 N ARG A 38 0.720 4.807 5.343 1.00 0.00 N ATOM 79 CA ARG A 38 1.937 5.369 5.956 1.00 0.00 C ATOM 80 C ARG A 38 3.139 4.445 5.706 1.00 0.00 C ATOM 81 O ARG A 38 3.153 3.277 6.094 1.00 0.00 O ATOM 82 CB ARG A 38 1.737 5.655 7.460 1.00 0.00 C ATOM 83 CG ARG A 38 2.998 6.246 8.112 1.00 0.00 C ATOM 84 CD ARG A 38 2.819 6.891 9.502 1.00 0.00 C ATOM 85 NE ARG A 38 2.480 5.900 10.517 1.00 0.00 N ATOM 86 CZ ARG A 38 2.156 6.139 11.792 1.00 0.00 C ATOM 87 NH1 ARG A 38 2.246 7.343 12.354 1.00 0.00 N ATOM 88 NH2 ARG A 38 1.816 5.143 12.597 1.00 0.00 N ATOM 0 H ARG A 38 0.087 4.383 6.021 1.00 0.00 H new ATOM 0 HA ARG A 38 2.145 6.328 5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.905 6.347 7.589 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.465 4.731 7.971 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.741 5.453 8.197 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.410 6.997 7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.738 7.403 9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.034 7.646 9.454 1.00 0.00 H new ATOM 0 HE ARG A 38 2.491 4.923 10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.575 8.138 11.806 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.986 7.470 13.332 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.800 4.186 12.245 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.570 5.334 13.568 1.00 0.00 H new ATOM 89 N ILE A 39 4.116 5.063 5.067 1.00 0.00 N ATOM 90 CA ILE A 39 5.437 4.444 4.823 1.00 0.00 C ATOM 91 C ILE A 39 6.412 5.195 5.721 1.00 0.00 C ATOM 92 O ILE A 39 6.705 6.384 5.558 1.00 0.00 O ATOM 93 CB ILE A 39 5.788 4.516 3.320 1.00 0.00 C ATOM 94 CG1 ILE A 39 4.623 4.019 2.436 1.00 0.00 C ATOM 95 CG2 ILE A 39 7.016 3.622 3.091 1.00 0.00 C ATOM 96 CD1 ILE A 39 4.674 4.571 1.008 1.00 0.00 C ATOM 0 H ILE A 39 4.031 6.009 4.696 1.00 0.00 H new ATOM 0 HA ILE A 39 5.466 3.382 5.065 1.00 0.00 H new ATOM 0 HB ILE A 39 5.986 5.552 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.642 2.930 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.678 4.306 2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.294 3.648 2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.848 3.985 3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.779 2.598 3.378 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.829 4.185 0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.625 5.660 1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.604 4.262 0.532 1.00 0.00 H new ATOM 97 N LEU A 40 6.688 4.471 6.799 1.00 0.00 N ATOM 98 CA LEU A 40 7.382 4.984 7.988 1.00 0.00 C ATOM 99 C LEU A 40 8.841 5.377 7.731 1.00 0.00 C ATOM 100 O LEU A 40 9.503 4.709 6.934 1.00 0.00 O ATOM 101 CB LEU A 40 7.384 3.944 9.131 1.00 0.00 C ATOM 102 CG LEU A 40 6.100 3.723 9.927 1.00 0.00 C ATOM 103 CD1 LEU A 40 5.846 4.953 10.792 1.00 0.00 C ATOM 104 CD2 LEU A 40 4.886 3.388 9.082 1.00 0.00 C ATOM 0 H LEU A 40 6.432 3.487 6.879 1.00 0.00 H new ATOM 0 HA LEU A 40 6.821 5.877 8.265 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.677 2.985 8.704 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.164 4.230 9.836 1.00 0.00 H new ATOM 0 HG LEU A 40 6.253 2.839 10.546 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.931 4.811 11.367 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.684 5.098 11.473 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.741 5.831 10.154 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.020 3.248 9.729 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.691 4.204 8.386 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.074 2.471 8.523 1.00 0.00 H new ATOM 105 N PRO A 41 9.374 6.291 8.560 1.00 0.00 N ATOM 106 CA PRO A 41 10.811 6.607 8.622 1.00 0.00 C ATOM 107 C PRO A 41 11.666 5.411 9.086 1.00 0.00 C ATOM 108 O PRO A 41 12.821 5.297 8.713 1.00 0.00 O ATOM 109 CB PRO A 41 10.927 7.789 9.591 1.00 0.00 C ATOM 110 CG PRO A 41 9.704 7.624 10.502 1.00 0.00 C ATOM 111 CD PRO A 41 8.627 7.065 9.581 1.00 0.00 C ATOM 0 HA PRO A 41 11.195 6.851 7.631 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.858 7.754 10.158 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.910 8.743 9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.912 6.946 11.330 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.401 8.576 10.938 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.929 6.431 10.127 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.042 7.863 9.124 1.00 0.00 H new ATOM 112 N ASP A 42 11.025 4.524 9.847 1.00 0.00 N ATOM 113 CA ASP A 42 11.602 3.277 10.384 1.00 0.00 C ATOM 114 C ASP A 42 11.714 2.124 9.365 1.00 0.00 C ATOM 115 O ASP A 42 11.955 0.987 9.757 1.00 0.00 O ATOM 116 CB ASP A 42 10.705 2.844 11.547 1.00 0.00 C ATOM 117 CG ASP A 42 10.831 3.737 12.784 1.00 0.00 C ATOM 118 OD1 ASP A 42 11.726 3.476 13.604 1.00 0.00 O ATOM 119 OD2 ASP A 42 10.011 4.685 12.851 1.00 0.00 O ATOM 0 H ASP A 42 10.051 4.653 10.121 1.00 0.00 H new ATOM 0 HA ASP A 42 12.628 3.487 10.685 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.667 2.844 11.214 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.952 1.819 11.823 1.00 0.00 H new ATOM 120 N GLY A 43 11.462 2.400 8.078 1.00 0.00 N ATOM 121 CA GLY A 43 11.410 1.372 7.025 1.00 0.00 C ATOM 122 C GLY A 43 10.273 0.363 7.249 1.00 0.00 C ATOM 123 O GLY A 43 10.339 -0.784 6.812 1.00 0.00 O ATOM 0 H GLY A 43 11.288 3.345 7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.279 1.854 6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.362 0.842 6.991 1.00 0.00 H new ATOM 124 N THR A 44 9.137 0.885 7.714 1.00 0.00 N ATOM 125 CA THR A 44 7.997 0.044 8.158 1.00 0.00 C ATOM 126 C THR A 44 6.757 0.588 7.431 1.00 0.00 C ATOM 127 O THR A 44 6.752 1.747 7.038 1.00 0.00 O ATOM 128 CB THR A 44 7.861 0.197 9.685 1.00 0.00 C ATOM 129 OG1 THR A 44 9.136 0.108 10.338 1.00 0.00 O ATOM 130 CG2 THR A 44 6.924 -0.850 10.294 1.00 0.00 C ATOM 0 H THR A 44 8.970 1.888 7.798 1.00 0.00 H new ATOM 0 HA THR A 44 8.129 -1.014 7.931 1.00 0.00 H new ATOM 0 HB THR A 44 7.434 1.187 9.847 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.016 0.211 11.305 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.862 -0.700 11.372 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.931 -0.749 9.856 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.311 -1.848 10.089 1.00 0.00 H new ATOM 131 N VAL A 45 5.839 -0.286 7.053 1.00 0.00 N ATOM 132 CA VAL A 45 4.586 0.193 6.420 1.00 0.00 C ATOM 133 C VAL A 45 3.394 -0.183 7.302 1.00 0.00 C ATOM 134 O VAL A 45 3.202 -1.332 7.677 1.00 0.00 O ATOM 135 CB VAL A 45 4.438 -0.281 4.968 1.00 0.00 C ATOM 136 CG1 VAL A 45 3.214 0.330 4.301 1.00 0.00 C ATOM 137 CG2 VAL A 45 5.628 0.176 4.125 1.00 0.00 C ATOM 0 H VAL A 45 5.915 -1.297 7.160 1.00 0.00 H new ATOM 0 HA VAL A 45 4.624 1.280 6.349 1.00 0.00 H new ATOM 0 HB VAL A 45 4.362 -1.367 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.142 -0.029 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.318 0.041 4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.304 1.416 4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.502 -0.171 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.685 1.264 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.547 -0.239 4.538 1.00 0.00 H new ATOM 138 N ASP A 46 2.677 0.861 7.697 1.00 0.00 N ATOM 139 CA ASP A 46 1.561 0.738 8.654 1.00 0.00 C ATOM 140 C ASP A 46 0.436 1.738 8.382 1.00 0.00 C ATOM 141 O ASP A 46 0.690 2.918 8.131 1.00 0.00 O ATOM 142 CB ASP A 46 2.033 1.015 10.089 1.00 0.00 C ATOM 143 CG ASP A 46 3.183 0.091 10.511 1.00 0.00 C ATOM 144 OD1 ASP A 46 2.891 -1.051 10.936 1.00 0.00 O ATOM 145 OD2 ASP A 46 4.320 0.594 10.447 1.00 0.00 O ATOM 0 H ASP A 46 2.842 1.814 7.372 1.00 0.00 H new ATOM 0 HA ASP A 46 1.196 -0.282 8.534 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.356 2.053 10.169 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.196 0.887 10.776 1.00 0.00 H new ATOM 146 N GLY A 47 -0.787 1.212 8.323 1.00 0.00 N ATOM 147 CA GLY A 47 -1.996 2.024 8.531 1.00 0.00 C ATOM 148 C GLY A 47 -1.992 2.489 9.991 1.00 0.00 C ATOM 149 O GLY A 47 -1.321 1.922 10.857 1.00 0.00 O ATOM 0 H GLY A 47 -0.972 0.227 8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.004 2.880 7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.891 1.441 8.317 1.00 0.00 H new ATOM 150 N THR A 48 -2.944 3.361 10.304 1.00 0.00 N ATOM 151 CA THR A 48 -2.810 4.244 11.469 1.00 0.00 C ATOM 152 C THR A 48 -4.076 5.043 11.817 1.00 0.00 C ATOM 153 O THR A 48 -4.730 5.609 10.946 1.00 0.00 O ATOM 154 CB THR A 48 -1.638 5.211 11.250 1.00 0.00 C ATOM 155 OG1 THR A 48 -1.514 6.075 12.384 1.00 0.00 O ATOM 156 CG2 THR A 48 -1.761 5.979 9.922 1.00 0.00 C ATOM 0 H THR A 48 -3.810 3.479 9.777 1.00 0.00 H new ATOM 0 HA THR A 48 -2.628 3.587 12.320 1.00 0.00 H new ATOM 0 HB THR A 48 -0.717 4.635 11.162 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.765 6.691 12.245 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.910 6.651 9.810 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.776 5.272 9.093 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.684 6.559 9.921 1.00 0.00 H new ATOM 157 N ARG A 49 -4.515 4.775 13.043 1.00 0.00 N ATOM 158 CA ARG A 49 -5.469 5.661 13.740 1.00 0.00 C ATOM 159 C ARG A 49 -4.777 6.769 14.572 1.00 0.00 C ATOM 160 O ARG A 49 -5.408 7.727 15.015 1.00 0.00 O ATOM 161 CB ARG A 49 -6.419 4.857 14.618 1.00 0.00 C ATOM 162 CG ARG A 49 -7.559 4.314 13.748 1.00 0.00 C ATOM 163 CD ARG A 49 -8.554 3.493 14.560 1.00 0.00 C ATOM 164 NE ARG A 49 -9.570 2.986 13.633 1.00 0.00 N ATOM 165 CZ ARG A 49 -9.830 1.702 13.371 1.00 0.00 C ATOM 166 NH1 ARG A 49 -9.224 0.696 13.994 1.00 0.00 N ATOM 167 NH2 ARG A 49 -10.760 1.399 12.484 1.00 0.00 N ATOM 0 H ARG A 49 -4.232 3.956 13.581 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.040 6.163 12.959 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.886 4.036 15.097 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.819 5.485 15.414 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.078 5.145 13.271 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.145 3.697 12.951 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.049 2.668 15.064 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.014 4.106 15.335 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.132 3.680 13.141 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.523 0.888 14.710 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.460 -0.267 13.756 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.271 2.142 12.007 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.967 0.422 12.276 1.00 0.00 H new ATOM 168 N ASP A 50 -3.464 6.641 14.705 1.00 0.00 N ATOM 169 CA ASP A 50 -2.598 7.610 15.401 1.00 0.00 C ATOM 170 C ASP A 50 -1.681 8.266 14.360 1.00 0.00 C ATOM 171 O ASP A 50 -0.485 7.982 14.271 1.00 0.00 O ATOM 172 CB ASP A 50 -1.847 6.837 16.487 1.00 0.00 C ATOM 173 CG ASP A 50 -0.909 7.696 17.335 1.00 0.00 C ATOM 174 OD1 ASP A 50 -1.435 8.574 18.054 1.00 0.00 O ATOM 175 OD2 ASP A 50 0.310 7.432 17.258 1.00 0.00 O ATOM 0 H ASP A 50 -2.950 5.845 14.327 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.148 8.417 15.885 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.573 6.356 17.143 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.268 6.043 16.017 1.00 0.00 H new ATOM 176 N ARG A 51 -2.292 9.097 13.516 1.00 0.00 N ATOM 177 CA ARG A 51 -1.586 9.720 12.377 1.00 0.00 C ATOM 178 C ARG A 51 -0.675 10.876 12.792 1.00 0.00 C ATOM 179 O ARG A 51 -1.117 11.960 13.171 1.00 0.00 O ATOM 180 CB ARG A 51 -2.586 10.192 11.315 1.00 0.00 C ATOM 181 CG ARG A 51 -3.429 9.040 10.777 1.00 0.00 C ATOM 182 CD ARG A 51 -4.874 9.495 10.798 1.00 0.00 C ATOM 183 NE ARG A 51 -5.778 8.329 10.701 1.00 0.00 N ATOM 184 CZ ARG A 51 -7.100 8.395 10.842 1.00 0.00 C ATOM 185 NH1 ARG A 51 -7.726 9.549 11.009 1.00 0.00 N ATOM 186 NH2 ARG A 51 -7.797 7.279 10.802 1.00 0.00 N ATOM 0 H ARG A 51 -3.275 9.360 13.593 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.943 8.947 11.956 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.240 10.951 11.744 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.047 10.663 10.493 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.122 8.779 9.764 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.297 8.148 11.390 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.076 10.046 11.717 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.060 10.178 9.969 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.362 7.416 10.514 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.194 10.419 11.032 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.740 9.568 11.114 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.323 6.386 10.665 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.811 7.307 10.908 1.00 0.00 H new ATOM 187 N SER A 52 0.598 10.602 12.593 1.00 0.00 N ATOM 188 CA SER A 52 1.723 11.556 12.796 1.00 0.00 C ATOM 189 C SER A 52 1.661 12.813 11.916 1.00 0.00 C ATOM 190 O SER A 52 2.495 13.709 12.023 1.00 0.00 O ATOM 191 CB SER A 52 3.051 10.864 12.490 1.00 0.00 C ATOM 192 OG SER A 52 3.061 10.312 11.165 1.00 0.00 O ATOM 0 H SER A 52 0.912 9.685 12.275 1.00 0.00 H new ATOM 0 HA SER A 52 1.640 11.870 13.836 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.868 11.578 12.594 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.226 10.071 13.217 1.00 0.00 H new ATOM 0 HG SER A 52 3.785 10.720 10.646 1.00 0.00 H new ATOM 193 N ASP A 53 0.853 12.703 10.861 1.00 0.00 N ATOM 194 CA ASP A 53 0.600 13.736 9.832 1.00 0.00 C ATOM 195 C ASP A 53 1.789 14.034 8.897 1.00 0.00 C ATOM 196 O ASP A 53 1.738 14.956 8.089 1.00 0.00 O ATOM 197 CB ASP A 53 0.032 15.028 10.452 1.00 0.00 C ATOM 198 CG ASP A 53 -1.269 14.794 11.236 1.00 0.00 C ATOM 199 OD1 ASP A 53 -2.121 14.019 10.747 1.00 0.00 O ATOM 200 OD2 ASP A 53 -1.384 15.427 12.307 1.00 0.00 O ATOM 0 H ASP A 53 0.325 11.849 10.683 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.158 13.296 9.184 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.777 15.464 11.117 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.153 15.754 9.660 1.00 0.00 H new ATOM 201 N GLN A 54 2.786 13.162 8.946 1.00 0.00 N ATOM 202 CA GLN A 54 3.964 13.260 8.064 1.00 0.00 C ATOM 203 C GLN A 54 4.042 12.072 7.078 1.00 0.00 C ATOM 204 O GLN A 54 3.433 12.120 6.008 1.00 0.00 O ATOM 205 CB GLN A 54 5.228 13.410 8.933 1.00 0.00 C ATOM 206 CG GLN A 54 6.457 13.782 8.099 1.00 0.00 C ATOM 207 CD GLN A 54 7.794 13.510 8.803 1.00 0.00 C ATOM 208 OE1 GLN A 54 7.937 13.533 10.016 1.00 0.00 O ATOM 209 NE2 GLN A 54 8.767 13.090 8.022 1.00 0.00 N ATOM 0 H GLN A 54 2.812 12.370 9.588 1.00 0.00 H new ATOM 0 HA GLN A 54 3.878 14.146 7.435 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.059 14.176 9.690 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.418 12.476 9.461 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.431 13.224 7.163 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.402 14.840 7.841 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.638 13.074 7.010 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.650 12.780 8.429 1.00 0.00 H new ATOM 210 N HIS A 55 4.562 10.937 7.557 1.00 0.00 N ATOM 211 CA HIS A 55 4.874 9.740 6.758 1.00 0.00 C ATOM 212 C HIS A 55 3.675 9.118 6.015 1.00 0.00 C ATOM 213 O HIS A 55 3.846 8.300 5.115 1.00 0.00 O ATOM 214 CB HIS A 55 5.581 8.683 7.634 1.00 0.00 C ATOM 215 CG HIS A 55 6.204 9.207 8.928 1.00 0.00 C ATOM 216 ND1 HIS A 55 5.768 8.923 10.150 1.00 0.00 N ATOM 217 CD2 HIS A 55 7.095 10.186 9.028 1.00 0.00 C ATOM 218 CE1 HIS A 55 6.363 9.758 11.006 1.00 0.00 C ATOM 219 NE2 HIS A 55 7.172 10.544 10.305 1.00 0.00 N ATOM 0 H HIS A 55 4.786 10.819 8.545 1.00 0.00 H new ATOM 0 HA HIS A 55 5.542 10.086 5.969 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.860 7.906 7.888 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.363 8.210 7.041 1.00 0.00 H new ATOM 0 HD2 HIS A 55 7.659 10.616 8.213 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.213 9.788 12.075 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.752 11.293 10.682 1.00 0.00 H new ATOM 220 N ILE A 56 2.489 9.409 6.552 1.00 0.00 N ATOM 221 CA ILE A 56 1.182 9.094 5.923 1.00 0.00 C ATOM 222 C ILE A 56 1.021 9.563 4.470 1.00 0.00 C ATOM 223 O ILE A 56 0.269 8.943 3.709 1.00 0.00 O ATOM 224 CB ILE A 56 -0.015 9.602 6.761 1.00 0.00 C ATOM 225 CG1 ILE A 56 0.057 11.099 7.073 1.00 0.00 C ATOM 226 CG2 ILE A 56 -0.182 8.749 8.025 1.00 0.00 C ATOM 227 CD1 ILE A 56 -1.319 11.700 7.336 1.00 0.00 C ATOM 0 H ILE A 56 2.396 9.879 7.453 1.00 0.00 H new ATOM 0 HA ILE A 56 1.180 8.004 5.898 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.910 9.485 6.150 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.693 11.256 7.944 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.526 11.620 6.238 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.028 9.119 8.604 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.361 7.712 7.743 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.724 8.810 8.627 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.216 12.763 7.553 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.948 11.568 6.456 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.778 11.199 8.188 1.00 0.00 H new ATOM 228 N GLN A 57 1.679 10.673 4.131 1.00 0.00 N ATOM 229 CA GLN A 57 1.570 11.272 2.787 1.00 0.00 C ATOM 230 C GLN A 57 2.300 10.471 1.713 1.00 0.00 C ATOM 231 O GLN A 57 3.535 10.392 1.669 1.00 0.00 O ATOM 232 CB GLN A 57 2.000 12.744 2.778 1.00 0.00 C ATOM 233 CG GLN A 57 1.152 13.614 3.719 1.00 0.00 C ATOM 234 CD GLN A 57 -0.352 13.532 3.454 1.00 0.00 C ATOM 235 OE1 GLN A 57 -1.070 12.661 3.926 1.00 0.00 O ATOM 236 NE2 GLN A 57 -0.886 14.500 2.736 1.00 0.00 N ATOM 0 H GLN A 57 2.296 11.181 4.765 1.00 0.00 H new ATOM 0 HA GLN A 57 0.511 11.235 2.531 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.048 12.814 3.070 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.925 13.134 1.763 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.346 13.314 4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.471 14.652 3.624 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.292 15.229 2.340 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.893 14.520 2.576 1.00 0.00 H new ATOM 237 N LEU A 58 1.457 9.785 0.963 1.00 0.00 N ATOM 238 CA LEU A 58 1.881 8.888 -0.120 1.00 0.00 C ATOM 239 C LEU A 58 1.671 9.466 -1.538 1.00 0.00 C ATOM 240 O LEU A 58 0.932 10.428 -1.759 1.00 0.00 O ATOM 241 CB LEU A 58 1.159 7.539 0.054 1.00 0.00 C ATOM 242 CG LEU A 58 -0.319 7.627 -0.326 1.00 0.00 C ATOM 243 CD1 LEU A 58 -0.588 6.815 -1.596 1.00 0.00 C ATOM 244 CD2 LEU A 58 -1.202 7.156 0.833 1.00 0.00 C ATOM 0 H LEU A 58 0.445 9.829 1.083 1.00 0.00 H new ATOM 0 HA LEU A 58 2.960 8.757 -0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.647 6.784 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.248 7.211 1.090 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.568 8.668 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.644 6.886 -1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.014 7.209 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.326 5.771 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.250 7.226 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.961 6.121 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.024 7.785 1.705 1.00 0.00 H new ATOM 245 N GLN A 59 2.342 8.787 -2.451 1.00 0.00 N ATOM 246 CA GLN A 59 2.362 9.076 -3.900 1.00 0.00 C ATOM 247 C GLN A 59 2.791 7.857 -4.706 1.00 0.00 C ATOM 248 O GLN A 59 3.305 6.887 -4.162 1.00 0.00 O ATOM 249 CB GLN A 59 3.403 10.179 -4.123 1.00 0.00 C ATOM 250 CG GLN A 59 2.887 11.336 -4.987 1.00 0.00 C ATOM 251 CD GLN A 59 2.568 10.942 -6.429 1.00 0.00 C ATOM 252 OE1 GLN A 59 1.469 10.552 -6.779 1.00 0.00 O ATOM 253 NE2 GLN A 59 3.566 10.945 -7.287 1.00 0.00 N ATOM 0 H GLN A 59 2.918 7.981 -2.207 1.00 0.00 H new ATOM 0 HA GLN A 59 1.363 9.368 -4.223 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.720 10.570 -3.156 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.284 9.746 -4.596 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.989 11.747 -4.526 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.633 12.131 -4.995 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.488 11.271 -6.996 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.418 10.621 -8.243 1.00 0.00 H new ATOM 254 N LEU A 60 2.490 7.912 -6.002 1.00 0.00 N ATOM 255 CA LEU A 60 3.007 6.928 -6.957 1.00 0.00 C ATOM 256 C LEU A 60 3.745 7.535 -8.145 1.00 0.00 C ATOM 257 O LEU A 60 3.244 8.328 -8.937 1.00 0.00 O ATOM 258 CB LEU A 60 2.021 5.871 -7.488 1.00 0.00 C ATOM 259 CG LEU A 60 0.509 6.136 -7.382 1.00 0.00 C ATOM 260 CD1 LEU A 60 0.100 5.941 -5.925 1.00 0.00 C ATOM 261 CD2 LEU A 60 0.028 7.455 -7.999 1.00 0.00 C ATOM 0 H LEU A 60 1.891 8.626 -6.417 1.00 0.00 H new ATOM 0 HA LEU A 60 3.707 6.401 -6.308 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.252 5.706 -8.540 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.228 4.937 -6.965 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.010 5.411 -8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.970 6.123 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.327 4.920 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.650 6.640 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.051 7.545 -7.871 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.523 8.290 -7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.270 7.469 -9.062 1.00 0.00 H new ATOM 262 N SER A 61 4.914 6.943 -8.297 1.00 0.00 N ATOM 263 CA SER A 61 5.815 7.216 -9.426 1.00 0.00 C ATOM 264 C SER A 61 5.728 6.075 -10.432 1.00 0.00 C ATOM 265 O SER A 61 6.299 4.991 -10.263 1.00 0.00 O ATOM 266 CB SER A 61 7.240 7.374 -8.936 1.00 0.00 C ATOM 267 OG SER A 61 7.501 8.770 -8.824 1.00 0.00 O ATOM 0 H SER A 61 5.278 6.252 -7.641 1.00 0.00 H new ATOM 0 HA SER A 61 5.512 8.145 -9.909 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.371 6.881 -7.973 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.938 6.908 -9.631 1.00 0.00 H new ATOM 0 HG SER A 61 8.418 8.907 -8.506 1.00 0.00 H new ATOM 268 N ALA A 62 4.615 6.210 -11.120 1.00 0.00 N ATOM 269 CA ALA A 62 4.253 5.300 -12.213 1.00 0.00 C ATOM 270 C ALA A 62 5.360 5.060 -13.241 1.00 0.00 C ATOM 271 O ALA A 62 5.948 5.972 -13.817 1.00 0.00 O ATOM 272 CB ALA A 62 2.968 5.818 -12.881 1.00 0.00 C ATOM 0 H ALA A 62 3.931 6.946 -10.948 1.00 0.00 H new ATOM 0 HA ALA A 62 4.087 4.318 -11.769 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.687 5.151 -13.696 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.164 5.852 -12.146 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.141 6.819 -13.275 1.00 0.00 H new ATOM 273 N GLU A 63 5.524 3.771 -13.471 1.00 0.00 N ATOM 274 CA GLU A 63 6.449 3.214 -14.468 1.00 0.00 C ATOM 275 C GLU A 63 5.623 2.967 -15.739 1.00 0.00 C ATOM 276 O GLU A 63 5.121 1.876 -16.007 1.00 0.00 O ATOM 277 CB GLU A 63 7.121 1.953 -13.892 1.00 0.00 C ATOM 278 CG GLU A 63 8.305 1.534 -14.776 1.00 0.00 C ATOM 279 CD GLU A 63 9.088 0.322 -14.265 1.00 0.00 C ATOM 280 OE1 GLU A 63 9.947 0.528 -13.370 1.00 0.00 O ATOM 281 OE2 GLU A 63 8.951 -0.751 -14.877 1.00 0.00 O ATOM 0 H GLU A 63 5.008 3.054 -12.961 1.00 0.00 H new ATOM 0 HA GLU A 63 7.269 3.887 -14.720 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.466 2.147 -12.877 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.397 1.141 -13.832 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.933 1.314 -15.777 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.988 2.378 -14.868 1.00 0.00 H new ATOM 282 N SER A 64 5.166 4.127 -16.216 1.00 0.00 N ATOM 283 CA SER A 64 4.499 4.401 -17.515 1.00 0.00 C ATOM 284 C SER A 64 3.029 4.005 -17.651 1.00 0.00 C ATOM 285 O SER A 64 2.174 4.872 -17.770 1.00 0.00 O ATOM 286 CB SER A 64 5.407 3.907 -18.651 1.00 0.00 C ATOM 287 OG SER A 64 5.178 2.530 -18.926 1.00 0.00 O ATOM 0 H SER A 64 5.255 4.980 -15.664 1.00 0.00 H new ATOM 0 HA SER A 64 4.388 5.483 -17.580 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.224 4.496 -19.550 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.451 4.058 -18.378 1.00 0.00 H new ATOM 0 HG SER A 64 5.767 2.239 -19.654 1.00 0.00 H new ATOM 288 N VAL A 65 2.754 2.720 -17.506 1.00 0.00 N ATOM 289 CA VAL A 65 1.416 2.135 -17.597 1.00 0.00 C ATOM 290 C VAL A 65 0.847 1.891 -16.181 1.00 0.00 C ATOM 291 O VAL A 65 1.234 2.591 -15.242 1.00 0.00 O ATOM 292 CB VAL A 65 1.584 0.936 -18.559 1.00 0.00 C ATOM 293 CG1 VAL A 65 2.437 -0.216 -17.988 1.00 0.00 C ATOM 294 CG2 VAL A 65 0.250 0.436 -19.112 1.00 0.00 C ATOM 0 H VAL A 65 3.477 2.027 -17.315 1.00 0.00 H new ATOM 0 HA VAL A 65 0.637 2.769 -18.021 1.00 0.00 H new ATOM 0 HB VAL A 65 2.155 1.333 -19.398 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.506 -1.017 -18.724 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.437 0.152 -17.757 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.972 -0.597 -17.079 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.426 -0.406 -19.781 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.389 0.117 -18.288 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.240 1.240 -19.661 1.00 0.00 H new ATOM 295 N GLY A 66 0.030 0.845 -16.009 1.00 0.00 N ATOM 296 CA GLY A 66 -0.626 0.474 -14.736 1.00 0.00 C ATOM 297 C GLY A 66 0.324 -0.195 -13.736 1.00 0.00 C ATOM 298 O GLY A 66 0.026 -1.263 -13.226 1.00 0.00 O ATOM 0 H GLY A 66 -0.204 0.210 -16.772 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.051 1.368 -14.280 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.455 -0.201 -14.946 1.00 0.00 H new ATOM 299 N GLU A 67 1.520 0.381 -13.615 1.00 0.00 N ATOM 300 CA GLU A 67 2.601 -0.035 -12.720 1.00 0.00 C ATOM 301 C GLU A 67 3.054 1.207 -11.952 1.00 0.00 C ATOM 302 O GLU A 67 3.355 2.231 -12.569 1.00 0.00 O ATOM 303 CB GLU A 67 3.756 -0.468 -13.598 1.00 0.00 C ATOM 304 CG GLU A 67 3.475 -1.652 -14.537 1.00 0.00 C ATOM 305 CD GLU A 67 4.665 -1.933 -15.476 1.00 0.00 C ATOM 306 OE1 GLU A 67 5.815 -1.676 -15.063 1.00 0.00 O ATOM 307 OE2 GLU A 67 4.383 -2.375 -16.609 1.00 0.00 O ATOM 0 H GLU A 67 1.775 1.197 -14.171 1.00 0.00 H new ATOM 0 HA GLU A 67 2.286 -0.830 -12.044 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.068 0.384 -14.202 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.598 -0.729 -12.956 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.261 -2.542 -13.945 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.585 -1.442 -15.131 1.00 0.00 H new ATOM 308 N VAL A 68 3.215 1.049 -10.638 1.00 0.00 N ATOM 309 CA VAL A 68 3.369 2.208 -9.737 1.00 0.00 C ATOM 310 C VAL A 68 4.263 2.016 -8.506 1.00 0.00 C ATOM 311 O VAL A 68 4.053 1.145 -7.674 1.00 0.00 O ATOM 312 CB VAL A 68 1.933 2.573 -9.415 1.00 0.00 C ATOM 313 CG1 VAL A 68 1.176 2.090 -8.174 1.00 0.00 C ATOM 314 CG2 VAL A 68 1.146 3.474 -10.346 1.00 0.00 C ATOM 0 H VAL A 68 3.243 0.143 -10.171 1.00 0.00 H new ATOM 0 HA VAL A 68 3.929 3.008 -10.221 1.00 0.00 H new ATOM 0 HB VAL A 68 2.856 2.039 -9.187 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.165 2.496 -8.184 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.130 1.001 -8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.694 2.429 -7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.142 3.620 -9.948 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.647 4.438 -10.429 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.082 3.012 -11.331 1.00 0.00 H new ATOM 315 N TYR A 69 5.330 2.815 -8.505 1.00 0.00 N ATOM 316 CA TYR A 69 6.304 2.851 -7.400 1.00 0.00 C ATOM 317 C TYR A 69 5.840 3.833 -6.326 1.00 0.00 C ATOM 318 O TYR A 69 5.845 5.043 -6.532 1.00 0.00 O ATOM 319 CB TYR A 69 7.693 3.323 -7.854 1.00 0.00 C ATOM 320 CG TYR A 69 8.436 2.309 -8.706 1.00 0.00 C ATOM 321 CD1 TYR A 69 8.827 1.063 -8.146 1.00 0.00 C ATOM 322 CD2 TYR A 69 8.844 2.720 -9.991 1.00 0.00 C ATOM 323 CE1 TYR A 69 9.665 0.221 -8.899 1.00 0.00 C ATOM 324 CE2 TYR A 69 9.686 1.875 -10.731 1.00 0.00 C ATOM 325 CZ TYR A 69 10.073 0.632 -10.185 1.00 0.00 C ATOM 326 OH TYR A 69 10.887 -0.176 -10.902 1.00 0.00 O ATOM 0 H TYR A 69 5.549 3.457 -9.267 1.00 0.00 H new ATOM 0 HA TYR A 69 6.370 1.831 -7.023 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.585 4.249 -8.419 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.294 3.554 -6.974 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.488 0.769 -7.164 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.516 3.665 -10.398 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.992 -0.727 -8.498 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.034 2.173 -11.709 1.00 0.00 H new ATOM 0 HH TYR A 69 10.655 -0.114 -11.852 1.00 0.00 H new ATOM 327 N ILE A 70 5.447 3.260 -5.204 1.00 0.00 N ATOM 328 CA ILE A 70 4.749 4.057 -4.184 1.00 0.00 C ATOM 329 C ILE A 70 5.725 4.718 -3.200 1.00 0.00 C ATOM 330 O ILE A 70 6.189 4.133 -2.236 1.00 0.00 O ATOM 331 CB ILE A 70 3.575 3.291 -3.565 1.00 0.00 C ATOM 332 CG1 ILE A 70 2.652 2.894 -4.720 1.00 0.00 C ATOM 333 CG2 ILE A 70 2.779 4.145 -2.567 1.00 0.00 C ATOM 334 CD1 ILE A 70 1.812 1.648 -4.433 1.00 0.00 C ATOM 0 H ILE A 70 5.588 2.277 -4.969 1.00 0.00 H new ATOM 0 HA ILE A 70 4.271 4.906 -4.672 1.00 0.00 H new ATOM 0 HB ILE A 70 3.958 2.431 -3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.986 3.727 -4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.254 2.718 -5.611 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.959 3.556 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.435 4.465 -1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.377 5.021 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.183 1.427 -5.295 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.471 0.802 -4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.183 1.826 -3.561 1.00 0.00 H new ATOM 335 N LYS A 71 5.848 6.011 -3.437 1.00 0.00 N ATOM 336 CA LYS A 71 6.837 6.884 -2.809 1.00 0.00 C ATOM 337 C LYS A 71 6.173 7.810 -1.810 1.00 0.00 C ATOM 338 O LYS A 71 5.115 8.386 -2.059 1.00 0.00 O ATOM 339 CB LYS A 71 7.486 7.620 -3.984 1.00 0.00 C ATOM 340 CG LYS A 71 8.817 8.312 -3.630 1.00 0.00 C ATOM 341 CD LYS A 71 9.087 9.495 -4.557 1.00 0.00 C ATOM 342 CE LYS A 71 8.174 10.591 -4.016 1.00 0.00 C ATOM 343 NZ LYS A 71 8.423 11.952 -4.498 1.00 0.00 N ATOM 0 H LYS A 71 5.244 6.504 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 71 7.586 6.348 -2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.661 6.910 -4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.788 8.368 -4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.788 8.656 -2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.634 7.594 -3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.134 9.796 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.853 9.254 -5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.145 10.327 -4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.254 10.595 -2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.742 12.605 -4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.390 12.239 -4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.315 11.979 -5.532 1.00 0.00 H new ATOM 344 N SER A 72 6.734 7.780 -0.619 1.00 0.00 N ATOM 345 CA SER A 72 6.247 8.624 0.471 1.00 0.00 C ATOM 346 C SER A 72 6.775 10.062 0.353 1.00 0.00 C ATOM 347 O SER A 72 7.938 10.356 0.614 1.00 0.00 O ATOM 348 CB SER A 72 6.607 7.996 1.815 1.00 0.00 C ATOM 349 OG SER A 72 7.995 7.674 1.918 1.00 0.00 O ATOM 0 H SER A 72 7.525 7.185 -0.374 1.00 0.00 H new ATOM 0 HA SER A 72 5.161 8.687 0.402 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.337 8.683 2.617 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.016 7.091 1.959 1.00 0.00 H new ATOM 0 HG SER A 72 8.149 6.773 1.565 1.00 0.00 H new ATOM 350 N THR A 73 5.890 10.944 -0.083 1.00 0.00 N ATOM 351 CA THR A 73 6.180 12.386 -0.253 1.00 0.00 C ATOM 352 C THR A 73 6.714 13.103 0.999 1.00 0.00 C ATOM 353 O THR A 73 7.261 14.197 0.904 1.00 0.00 O ATOM 354 CB THR A 73 4.965 13.137 -0.796 1.00 0.00 C ATOM 355 OG1 THR A 73 3.766 12.707 -0.155 1.00 0.00 O ATOM 356 CG2 THR A 73 4.880 13.014 -2.323 1.00 0.00 C ATOM 0 H THR A 73 4.935 10.691 -0.336 1.00 0.00 H new ATOM 0 HA THR A 73 6.994 12.407 -0.978 1.00 0.00 H new ATOM 0 HB THR A 73 5.088 14.195 -0.565 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.004 13.204 -0.519 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.007 13.557 -2.684 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.780 13.434 -2.773 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.793 11.963 -2.599 1.00 0.00 H new ATOM 357 N GLU A 74 6.505 12.492 2.167 1.00 0.00 N ATOM 358 CA GLU A 74 7.021 13.015 3.445 1.00 0.00 C ATOM 359 C GLU A 74 8.096 12.179 4.167 1.00 0.00 C ATOM 360 O GLU A 74 8.509 12.534 5.276 1.00 0.00 O ATOM 361 CB GLU A 74 5.842 13.261 4.390 1.00 0.00 C ATOM 362 CG GLU A 74 5.493 14.755 4.474 1.00 0.00 C ATOM 363 CD GLU A 74 5.153 15.406 3.130 1.00 0.00 C ATOM 364 OE1 GLU A 74 4.324 14.826 2.383 1.00 0.00 O ATOM 365 OE2 GLU A 74 5.704 16.492 2.883 1.00 0.00 O ATOM 0 H GLU A 74 5.977 11.624 2.259 1.00 0.00 H new ATOM 0 HA GLU A 74 7.546 13.930 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.973 12.702 4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.086 12.886 5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.645 14.879 5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.334 15.287 4.918 1.00 0.00 H new ATOM 366 N THR A 75 8.571 11.136 3.497 1.00 0.00 N ATOM 367 CA THR A 75 9.548 10.207 4.092 1.00 0.00 C ATOM 368 C THR A 75 10.573 9.567 3.126 1.00 0.00 C ATOM 369 O THR A 75 11.507 8.906 3.571 1.00 0.00 O ATOM 370 CB THR A 75 8.894 9.056 4.871 1.00 0.00 C ATOM 371 OG1 THR A 75 7.477 9.007 4.670 1.00 0.00 O ATOM 372 CG2 THR A 75 9.204 9.210 6.356 1.00 0.00 C ATOM 0 H THR A 75 8.301 10.905 2.541 1.00 0.00 H new ATOM 0 HA THR A 75 10.089 10.883 4.754 1.00 0.00 H new ATOM 0 HB THR A 75 9.308 8.120 4.497 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.139 8.127 4.936 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.741 8.394 6.911 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.283 9.185 6.507 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.810 10.161 6.713 1.00 0.00 H new ATOM 373 N GLY A 76 10.213 9.580 1.845 1.00 0.00 N ATOM 374 CA GLY A 76 10.978 9.036 0.709 1.00 0.00 C ATOM 375 C GLY A 76 10.653 7.558 0.478 1.00 0.00 C ATOM 376 O GLY A 76 9.953 7.215 -0.481 1.00 0.00 O ATOM 0 H GLY A 76 9.329 9.993 1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.751 9.606 -0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.045 9.151 0.898 1.00 0.00 H new ATOM 377 N GLN A 77 10.933 6.805 1.534 1.00 0.00 N ATOM 378 CA GLN A 77 10.785 5.332 1.622 1.00 0.00 C ATOM 379 C GLN A 77 9.535 4.795 0.910 1.00 0.00 C ATOM 380 O GLN A 77 8.440 5.349 1.012 1.00 0.00 O ATOM 381 CB GLN A 77 10.778 4.941 3.100 1.00 0.00 C ATOM 382 CG GLN A 77 12.181 5.147 3.687 1.00 0.00 C ATOM 383 CD GLN A 77 12.138 5.287 5.207 1.00 0.00 C ATOM 384 OE1 GLN A 77 12.009 4.332 5.962 1.00 0.00 O ATOM 385 NE2 GLN A 77 12.298 6.506 5.678 1.00 0.00 N ATOM 0 H GLN A 77 11.287 7.210 2.401 1.00 0.00 H new ATOM 0 HA GLN A 77 11.628 4.877 1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 77 10.052 5.545 3.644 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.474 3.900 3.211 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.817 4.304 3.416 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.631 6.039 3.251 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.404 7.291 5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.316 6.665 6.685 1.00 0.00 H new ATOM 386 N TYR A 78 9.746 3.712 0.192 1.00 0.00 N ATOM 387 CA TYR A 78 8.729 3.168 -0.712 1.00 0.00 C ATOM 388 C TYR A 78 7.911 2.060 -0.074 1.00 0.00 C ATOM 389 O TYR A 78 8.382 1.307 0.772 1.00 0.00 O ATOM 390 CB TYR A 78 9.393 2.575 -1.958 1.00 0.00 C ATOM 391 CG TYR A 78 10.138 3.607 -2.808 1.00 0.00 C ATOM 392 CD1 TYR A 78 11.376 4.042 -2.300 1.00 0.00 C ATOM 393 CD2 TYR A 78 9.568 4.144 -3.984 1.00 0.00 C ATOM 394 CE1 TYR A 78 12.073 5.056 -2.961 1.00 0.00 C ATOM 395 CE2 TYR A 78 10.287 5.150 -4.668 1.00 0.00 C ATOM 396 CZ TYR A 78 11.516 5.595 -4.134 1.00 0.00 C ATOM 397 OH TYR A 78 12.184 6.622 -4.709 1.00 0.00 O ATOM 0 H TYR A 78 10.616 3.181 0.211 1.00 0.00 H new ATOM 0 HA TYR A 78 8.072 4.001 -0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.092 1.797 -1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.631 2.094 -2.571 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.784 3.595 -1.406 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.613 3.796 -4.349 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.017 5.417 -2.580 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.902 5.572 -5.585 1.00 0.00 H new ATOM 0 HH TYR A 78 11.707 6.913 -5.514 1.00 0.00 H new ATOM 398 N LEU A 79 6.668 1.998 -0.542 1.00 0.00 N ATOM 399 CA LEU A 79 5.798 0.855 -0.278 1.00 0.00 C ATOM 400 C LEU A 79 6.321 -0.338 -1.082 1.00 0.00 C ATOM 401 O LEU A 79 6.445 -0.274 -2.307 1.00 0.00 O ATOM 402 CB LEU A 79 4.358 1.147 -0.679 1.00 0.00 C ATOM 403 CG LEU A 79 3.407 -0.031 -0.400 1.00 0.00 C ATOM 404 CD1 LEU A 79 3.281 -0.334 1.084 1.00 0.00 C ATOM 405 CD2 LEU A 79 2.056 0.362 -0.970 1.00 0.00 C ATOM 0 H LEU A 79 6.238 2.729 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 79 5.807 0.640 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.007 2.026 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.324 1.391 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 79 3.798 -0.938 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.599 -1.172 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.261 -0.590 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.892 0.542 1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.341 -0.442 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.705 1.270 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.151 0.541 -2.041 1.00 0.00 H new ATOM 406 N ALA A 80 6.786 -1.311 -0.331 1.00 0.00 N ATOM 407 CA ALA A 80 7.298 -2.566 -0.883 1.00 0.00 C ATOM 408 C ALA A 80 6.633 -3.764 -0.215 1.00 0.00 C ATOM 409 O ALA A 80 6.111 -3.651 0.886 1.00 0.00 O ATOM 410 CB ALA A 80 8.813 -2.638 -0.652 1.00 0.00 C ATOM 0 H ALA A 80 6.824 -1.263 0.687 1.00 0.00 H new ATOM 0 HA ALA A 80 7.076 -2.593 -1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.200 -3.571 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.297 -1.796 -1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.020 -2.598 0.417 1.00 0.00 H new ATOM 411 N MET A 81 6.699 -4.893 -0.903 1.00 0.00 N ATOM 412 CA MET A 81 6.200 -6.171 -0.372 1.00 0.00 C ATOM 413 C MET A 81 7.264 -7.264 -0.514 1.00 0.00 C ATOM 414 O MET A 81 7.961 -7.338 -1.521 1.00 0.00 O ATOM 415 CB MET A 81 4.883 -6.558 -1.057 1.00 0.00 C ATOM 416 CG MET A 81 4.336 -7.831 -0.400 1.00 0.00 C ATOM 417 SD MET A 81 2.643 -8.325 -0.883 1.00 0.00 S ATOM 418 CE MET A 81 1.716 -7.392 0.309 1.00 0.00 C ATOM 0 H MET A 81 7.096 -4.959 -1.840 1.00 0.00 H new ATOM 0 HA MET A 81 5.993 -6.056 0.692 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.160 -5.747 -0.968 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.047 -6.724 -2.122 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.012 -8.654 -0.632 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.358 -7.695 0.681 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.884 -7.994 0.675 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.364 -7.122 1.143 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.330 -6.486 -0.158 1.00 0.00 H new ATOM 419 N ASP A 82 7.362 -8.100 0.516 1.00 0.00 N ATOM 420 CA ASP A 82 8.298 -9.237 0.521 1.00 0.00 C ATOM 421 C ASP A 82 7.565 -10.574 0.387 1.00 0.00 C ATOM 422 O ASP A 82 6.428 -10.722 0.821 1.00 0.00 O ATOM 423 CB ASP A 82 9.077 -9.185 1.840 1.00 0.00 C ATOM 424 CG ASP A 82 10.478 -9.801 1.769 1.00 0.00 C ATOM 425 OD1 ASP A 82 11.328 -9.180 1.106 1.00 0.00 O ATOM 426 OD2 ASP A 82 10.612 -10.920 2.306 1.00 0.00 O ATOM 0 H ASP A 82 6.804 -8.016 1.366 1.00 0.00 H new ATOM 0 HA ASP A 82 8.971 -9.162 -0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.165 -8.145 2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.503 -9.704 2.608 1.00 0.00 H new ATOM 427 N THR A 83 8.385 -11.546 0.016 1.00 0.00 N ATOM 428 CA THR A 83 8.038 -12.966 -0.220 1.00 0.00 C ATOM 429 C THR A 83 7.325 -13.659 0.952 1.00 0.00 C ATOM 430 O THR A 83 6.649 -14.666 0.771 1.00 0.00 O ATOM 431 CB THR A 83 9.295 -13.782 -0.553 1.00 0.00 C ATOM 432 OG1 THR A 83 10.306 -13.481 0.408 1.00 0.00 O ATOM 433 CG2 THR A 83 9.776 -13.517 -1.986 1.00 0.00 C ATOM 0 H THR A 83 9.377 -11.367 -0.142 1.00 0.00 H new ATOM 0 HA THR A 83 7.339 -12.938 -1.056 1.00 0.00 H new ATOM 0 HB THR A 83 9.059 -14.845 -0.503 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.114 -13.998 0.206 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.667 -14.111 -2.186 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.991 -13.792 -2.690 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.012 -12.459 -2.101 1.00 0.00 H new ATOM 434 N ASP A 84 7.633 -13.172 2.146 1.00 0.00 N ATOM 435 CA ASP A 84 6.967 -13.535 3.423 1.00 0.00 C ATOM 436 C ASP A 84 5.505 -13.075 3.569 1.00 0.00 C ATOM 437 O ASP A 84 4.877 -13.321 4.598 1.00 0.00 O ATOM 438 CB ASP A 84 7.830 -12.996 4.563 1.00 0.00 C ATOM 439 CG ASP A 84 9.136 -13.788 4.662 1.00 0.00 C ATOM 440 OD1 ASP A 84 10.054 -13.438 3.881 1.00 0.00 O ATOM 441 OD2 ASP A 84 9.168 -14.733 5.472 1.00 0.00 O ATOM 0 H ASP A 84 8.378 -12.487 2.274 1.00 0.00 H new ATOM 0 HA ASP A 84 6.890 -14.622 3.446 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.048 -11.941 4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.284 -13.063 5.504 1.00 0.00 H new ATOM 442 N GLY A 85 5.027 -12.308 2.594 1.00 0.00 N ATOM 443 CA GLY A 85 3.642 -11.803 2.519 1.00 0.00 C ATOM 444 C GLY A 85 3.344 -10.715 3.538 1.00 0.00 C ATOM 445 O GLY A 85 2.397 -10.829 4.308 1.00 0.00 O ATOM 0 H GLY A 85 5.602 -12.007 1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.458 -11.414 1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.951 -12.632 2.671 1.00 0.00 H new ATOM 446 N LEU A 86 3.998 -9.584 3.324 1.00 0.00 N ATOM 447 CA LEU A 86 3.934 -8.385 4.189 1.00 0.00 C ATOM 448 C LEU A 86 4.595 -7.171 3.526 1.00 0.00 C ATOM 449 O LEU A 86 5.409 -7.342 2.615 1.00 0.00 O ATOM 450 CB LEU A 86 4.520 -8.719 5.581 1.00 0.00 C ATOM 451 CG LEU A 86 5.952 -9.243 5.490 1.00 0.00 C ATOM 452 CD1 LEU A 86 6.906 -8.054 5.608 1.00 0.00 C ATOM 453 CD2 LEU A 86 6.237 -10.261 6.603 1.00 0.00 C ATOM 0 H LEU A 86 4.613 -9.457 2.520 1.00 0.00 H new ATOM 0 HA LEU A 86 2.892 -8.099 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.500 -7.826 6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.892 -9.464 6.069 1.00 0.00 H new ATOM 0 HG LEU A 86 6.094 -9.750 4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.936 -8.406 5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.713 -7.351 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.750 -7.556 6.565 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.263 -10.618 6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.100 -9.786 7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.551 -11.103 6.511 1.00 0.00 H new ATOM 454 N LEU A 87 4.277 -5.991 4.039 1.00 0.00 N ATOM 455 CA LEU A 87 4.759 -4.713 3.468 1.00 0.00 C ATOM 456 C LEU A 87 5.849 -4.062 4.329 1.00 0.00 C ATOM 457 O LEU A 87 5.742 -3.982 5.556 1.00 0.00 O ATOM 458 CB LEU A 87 3.606 -3.712 3.309 1.00 0.00 C ATOM 459 CG LEU A 87 2.436 -4.320 2.517 1.00 0.00 C ATOM 460 CD1 LEU A 87 1.103 -4.004 3.204 1.00 0.00 C ATOM 461 CD2 LEU A 87 2.471 -3.993 1.026 1.00 0.00 C ATOM 0 H LEU A 87 3.681 -5.878 4.859 1.00 0.00 H new ATOM 0 HA LEU A 87 5.182 -4.959 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.257 -3.399 4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.966 -2.818 2.799 1.00 0.00 H new ATOM 0 HG LEU A 87 2.551 -5.404 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.286 -4.441 2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.104 -4.422 4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.970 -2.924 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.616 -4.455 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.429 -2.912 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.393 -4.378 0.591 1.00 0.00 H new ATOM 462 N TYR A 88 6.827 -3.511 3.624 1.00 0.00 N ATOM 463 CA TYR A 88 7.987 -2.823 4.241 1.00 0.00 C ATOM 464 C TYR A 88 8.436 -1.562 3.497 1.00 0.00 C ATOM 465 O TYR A 88 8.394 -1.528 2.267 1.00 0.00 O ATOM 466 CB TYR A 88 9.161 -3.786 4.462 1.00 0.00 C ATOM 467 CG TYR A 88 9.831 -4.371 3.216 1.00 0.00 C ATOM 468 CD1 TYR A 88 9.098 -4.952 2.158 1.00 0.00 C ATOM 469 CD2 TYR A 88 11.235 -4.433 3.293 1.00 0.00 C ATOM 470 CE1 TYR A 88 9.802 -5.624 1.133 1.00 0.00 C ATOM 471 CE2 TYR A 88 11.936 -5.115 2.281 1.00 0.00 C ATOM 472 CZ TYR A 88 11.210 -5.688 1.223 1.00 0.00 C ATOM 473 OH TYR A 88 11.963 -6.269 0.262 1.00 0.00 O ATOM 0 H TYR A 88 6.852 -3.520 2.604 1.00 0.00 H new ATOM 0 HA TYR A 88 7.633 -2.479 5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.922 -3.263 5.041 1.00 0.00 H new ATOM 0 HB3 TYR A 88 8.807 -4.614 5.076 1.00 0.00 H new ATOM 0 HD1 TYR A 88 8.020 -4.884 2.133 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.763 -3.967 4.112 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.278 -6.076 0.304 1.00 0.00 H new ATOM 0 HE2 TYR A 88 13.012 -5.197 2.317 1.00 0.00 H new ATOM 0 HH TYR A 88 11.423 -6.393 -0.546 1.00 0.00 H new ATOM 474 N GLY A 89 8.981 -0.633 4.281 1.00 0.00 N ATOM 475 CA GLY A 89 9.343 0.724 3.819 1.00 0.00 C ATOM 476 C GLY A 89 10.693 0.773 3.104 1.00 0.00 C ATOM 477 O GLY A 89 11.550 1.592 3.435 1.00 0.00 O ATOM 0 H GLY A 89 9.189 -0.794 5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.568 1.091 3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.367 1.399 4.675 1.00 0.00 H new ATOM 478 N SER A 90 10.818 -0.076 2.098 1.00 0.00 N ATOM 479 CA SER A 90 12.053 -0.285 1.318 1.00 0.00 C ATOM 480 C SER A 90 12.518 0.975 0.569 1.00 0.00 C ATOM 481 O SER A 90 11.785 1.572 -0.207 1.00 0.00 O ATOM 482 CB SER A 90 11.912 -1.483 0.368 1.00 0.00 C ATOM 483 OG SER A 90 12.983 -1.558 -0.572 1.00 0.00 O ATOM 0 H SER A 90 10.046 -0.663 1.782 1.00 0.00 H new ATOM 0 HA SER A 90 12.837 -0.511 2.040 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.878 -2.404 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.966 -1.409 -0.168 1.00 0.00 H new ATOM 0 HG SER A 90 12.752 -1.042 -1.373 1.00 0.00 H new ATOM 484 N GLN A 91 13.731 1.375 0.934 1.00 0.00 N ATOM 485 CA GLN A 91 14.479 2.490 0.302 1.00 0.00 C ATOM 486 C GLN A 91 14.596 2.300 -1.219 1.00 0.00 C ATOM 487 O GLN A 91 14.508 3.255 -1.996 1.00 0.00 O ATOM 488 CB GLN A 91 15.895 2.513 0.878 1.00 0.00 C ATOM 489 CG GLN A 91 15.992 2.914 2.360 1.00 0.00 C ATOM 490 CD GLN A 91 15.615 1.769 3.302 1.00 0.00 C ATOM 491 OE1 GLN A 91 16.344 0.815 3.506 1.00 0.00 O ATOM 492 NE2 GLN A 91 14.416 1.809 3.852 1.00 0.00 N ATOM 0 H GLN A 91 14.246 0.931 1.694 1.00 0.00 H new ATOM 0 HA GLN A 91 13.942 3.417 0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 91 16.336 1.524 0.756 1.00 0.00 H new ATOM 0 HB3 GLN A 91 16.498 3.205 0.290 1.00 0.00 H new ATOM 0 HG2 GLN A 91 17.009 3.241 2.579 1.00 0.00 H new ATOM 0 HG3 GLN A 91 15.337 3.765 2.547 1.00 0.00 H new ATOM 0 HE21 GLN A 91 13.804 2.607 3.683 1.00 0.00 H new ATOM 0 HE22 GLN A 91 14.102 1.042 4.446 1.00 0.00 H new ATOM 493 N THR A 92 14.906 1.067 -1.584 1.00 0.00 N ATOM 494 CA THR A 92 14.999 0.613 -2.980 1.00 0.00 C ATOM 495 C THR A 92 13.623 0.383 -3.594 1.00 0.00 C ATOM 496 O THR A 92 12.770 -0.290 -2.993 1.00 0.00 O ATOM 497 CB THR A 92 15.765 -0.723 -3.035 1.00 0.00 C ATOM 498 OG1 THR A 92 15.560 -1.467 -1.843 1.00 0.00 O ATOM 499 CG2 THR A 92 17.250 -0.485 -3.309 1.00 0.00 C ATOM 0 H THR A 92 15.106 0.329 -0.909 1.00 0.00 H new ATOM 0 HA THR A 92 15.514 1.392 -3.541 1.00 0.00 H new ATOM 0 HB THR A 92 15.373 -1.315 -3.862 1.00 0.00 H new ATOM 0 HG1 THR A 92 14.611 -1.439 -1.599 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.771 -1.442 -3.344 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.366 0.026 -4.264 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.673 0.130 -2.514 1.00 0.00 H new ATOM 500 N PRO A 93 13.422 0.920 -4.806 1.00 0.00 N ATOM 501 CA PRO A 93 12.364 0.438 -5.679 1.00 0.00 C ATOM 502 C PRO A 93 12.870 -0.717 -6.545 1.00 0.00 C ATOM 503 O PRO A 93 14.021 -0.816 -6.936 1.00 0.00 O ATOM 504 CB PRO A 93 11.902 1.616 -6.509 1.00 0.00 C ATOM 505 CG PRO A 93 13.175 2.473 -6.621 1.00 0.00 C ATOM 506 CD PRO A 93 13.936 2.199 -5.310 1.00 0.00 C ATOM 0 HA PRO A 93 11.525 0.043 -5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.537 1.303 -7.487 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.090 2.159 -6.025 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.768 2.192 -7.491 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.934 3.531 -6.727 1.00 0.00 H new ATOM 0 HD2 PRO A 93 15.010 2.146 -5.486 1.00 0.00 H new ATOM 0 HD3 PRO A 93 13.770 2.998 -4.588 1.00 0.00 H new ATOM 507 N ASN A 94 12.052 -1.751 -6.423 1.00 0.00 N ATOM 508 CA ASN A 94 12.132 -2.987 -7.203 1.00 0.00 C ATOM 509 C ASN A 94 10.680 -3.366 -7.550 1.00 0.00 C ATOM 510 O ASN A 94 9.749 -2.655 -7.186 1.00 0.00 O ATOM 511 CB ASN A 94 12.911 -4.014 -6.355 1.00 0.00 C ATOM 512 CG ASN A 94 12.839 -5.467 -6.860 1.00 0.00 C ATOM 513 OD1 ASN A 94 11.991 -6.255 -6.441 1.00 0.00 O ATOM 514 ND2 ASN A 94 13.616 -5.805 -7.861 1.00 0.00 N ATOM 0 H ASN A 94 11.283 -1.757 -5.753 1.00 0.00 H new ATOM 0 HA ASN A 94 12.674 -2.913 -8.146 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.957 -3.711 -6.316 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.531 -3.981 -5.334 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.519 -6.723 -8.295 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.318 -5.150 -8.206 1.00 0.00 H new ATOM 515 N GLU A 95 10.472 -4.486 -8.227 1.00 0.00 N ATOM 516 CA GLU A 95 9.123 -5.028 -8.493 1.00 0.00 C ATOM 517 C GLU A 95 8.268 -5.205 -7.223 1.00 0.00 C ATOM 518 O GLU A 95 7.048 -5.114 -7.256 1.00 0.00 O ATOM 519 CB GLU A 95 9.265 -6.428 -9.062 1.00 0.00 C ATOM 520 CG GLU A 95 10.071 -6.487 -10.358 1.00 0.00 C ATOM 521 CD GLU A 95 10.019 -7.930 -10.859 1.00 0.00 C ATOM 522 OE1 GLU A 95 10.880 -8.711 -10.388 1.00 0.00 O ATOM 523 OE2 GLU A 95 9.056 -8.226 -11.594 1.00 0.00 O ATOM 0 H GLU A 95 11.226 -5.054 -8.613 1.00 0.00 H new ATOM 0 HA GLU A 95 8.643 -4.315 -9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.743 -7.066 -8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.272 -6.839 -9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.655 -5.807 -11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.102 -6.177 -10.184 1.00 0.00 H new ATOM 524 N GLU A 96 8.962 -5.548 -6.146 1.00 0.00 N ATOM 525 CA GLU A 96 8.410 -5.598 -4.778 1.00 0.00 C ATOM 526 C GLU A 96 7.680 -4.307 -4.382 1.00 0.00 C ATOM 527 O GLU A 96 6.573 -4.359 -3.847 1.00 0.00 O ATOM 528 CB GLU A 96 9.588 -5.845 -3.839 1.00 0.00 C ATOM 529 CG GLU A 96 10.011 -7.300 -4.010 1.00 0.00 C ATOM 530 CD GLU A 96 10.471 -7.962 -2.709 1.00 0.00 C ATOM 531 OE1 GLU A 96 11.108 -7.256 -1.906 1.00 0.00 O ATOM 532 OE2 GLU A 96 10.169 -9.169 -2.510 1.00 0.00 O ATOM 0 H GLU A 96 9.948 -5.807 -6.189 1.00 0.00 H new ATOM 0 HA GLU A 96 7.665 -6.391 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.414 -5.175 -4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.303 -5.647 -2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.175 -7.867 -4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.819 -7.351 -4.739 1.00 0.00 H new ATOM 533 N CYS A 97 8.262 -3.203 -4.836 1.00 0.00 N ATOM 534 CA CYS A 97 7.731 -1.841 -4.683 1.00 0.00 C ATOM 535 C CYS A 97 6.810 -1.426 -5.855 1.00 0.00 C ATOM 536 O CYS A 97 6.133 -0.401 -5.774 1.00 0.00 O ATOM 537 CB CYS A 97 8.937 -0.907 -4.612 1.00 0.00 C ATOM 538 SG CYS A 97 8.508 0.875 -4.620 1.00 0.00 S ATOM 0 H CYS A 97 9.149 -3.226 -5.340 1.00 0.00 H new ATOM 0 HA CYS A 97 7.118 -1.789 -3.783 1.00 0.00 H new ATOM 0 HB2 CYS A 97 9.502 -1.129 -3.707 1.00 0.00 H new ATOM 0 HB3 CYS A 97 9.594 -1.115 -5.457 1.00 0.00 H new ATOM 0 HG CYS A 97 7.302 1.029 -5.081 1.00 0.00 H new ATOM 539 N LEU A 98 6.766 -2.225 -6.916 1.00 0.00 N ATOM 540 CA LEU A 98 5.977 -1.869 -8.098 1.00 0.00 C ATOM 541 C LEU A 98 4.617 -2.523 -8.040 1.00 0.00 C ATOM 542 O LEU A 98 4.473 -3.732 -7.818 1.00 0.00 O ATOM 543 CB LEU A 98 6.699 -2.199 -9.411 1.00 0.00 C ATOM 544 CG LEU A 98 6.102 -1.335 -10.529 1.00 0.00 C ATOM 545 CD1 LEU A 98 6.249 0.139 -10.227 1.00 0.00 C ATOM 546 CD2 LEU A 98 6.952 -1.508 -11.771 1.00 0.00 C ATOM 0 H LEU A 98 7.260 -3.115 -6.986 1.00 0.00 H new ATOM 0 HA LEU A 98 5.845 -0.787 -8.085 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.767 -2.006 -9.314 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.586 -3.257 -9.649 1.00 0.00 H new ATOM 0 HG LEU A 98 5.059 -1.631 -10.637 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.815 0.722 -11.040 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.732 0.373 -9.296 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.306 0.386 -10.127 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.544 -0.901 -12.579 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.973 -1.191 -11.560 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.951 -2.556 -12.069 1.00 0.00 H new ATOM 547 N PHE A 99 3.648 -1.634 -8.040 1.00 0.00 N ATOM 548 CA PHE A 99 2.265 -2.054 -7.869 1.00 0.00 C ATOM 549 C PHE A 99 1.278 -1.779 -9.006 1.00 0.00 C ATOM 550 O PHE A 99 1.192 -0.673 -9.543 1.00 0.00 O ATOM 551 CB PHE A 99 1.755 -1.510 -6.519 1.00 0.00 C ATOM 552 CG PHE A 99 2.389 -2.165 -5.280 1.00 0.00 C ATOM 553 CD1 PHE A 99 3.580 -1.649 -4.728 1.00 0.00 C ATOM 554 CD2 PHE A 99 1.697 -3.209 -4.619 1.00 0.00 C ATOM 555 CE1 PHE A 99 4.080 -2.151 -3.511 1.00 0.00 C ATOM 556 CE2 PHE A 99 2.191 -3.719 -3.401 1.00 0.00 C ATOM 557 CZ PHE A 99 3.380 -3.189 -2.854 1.00 0.00 C ATOM 0 H PHE A 99 3.783 -0.629 -8.154 1.00 0.00 H new ATOM 0 HA PHE A 99 2.299 -3.143 -7.889 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.942 -0.437 -6.481 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.675 -1.647 -6.473 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.113 -0.863 -5.243 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.792 -3.614 -5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.987 -1.748 -3.085 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.663 -4.510 -2.889 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.759 -3.581 -1.922 1.00 0.00 H new ATOM 558 N LEU A 100 0.758 -2.889 -9.497 1.00 0.00 N ATOM 559 CA LEU A 100 -0.160 -2.962 -10.647 1.00 0.00 C ATOM 560 C LEU A 100 -1.504 -2.295 -10.350 1.00 0.00 C ATOM 561 O LEU A 100 -2.247 -2.751 -9.481 1.00 0.00 O ATOM 562 CB LEU A 100 -0.364 -4.441 -10.979 1.00 0.00 C ATOM 563 CG LEU A 100 -0.551 -4.712 -12.470 1.00 0.00 C ATOM 564 CD1 LEU A 100 0.801 -4.598 -13.173 1.00 0.00 C ATOM 565 CD2 LEU A 100 -1.107 -6.124 -12.661 1.00 0.00 C ATOM 0 H LEU A 100 0.964 -3.805 -9.099 1.00 0.00 H new ATOM 0 HA LEU A 100 0.273 -2.426 -11.491 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.495 -5.007 -10.620 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.236 -4.809 -10.439 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.246 -3.987 -12.893 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.674 -4.790 -14.238 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.202 -3.594 -13.031 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.493 -5.328 -12.752 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.242 -6.321 -13.725 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.409 -6.849 -12.243 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.067 -6.209 -12.152 1.00 0.00 H new ATOM 566 N GLU A 101 -1.751 -1.204 -11.063 1.00 0.00 N ATOM 567 CA GLU A 101 -2.935 -0.348 -10.861 1.00 0.00 C ATOM 568 C GLU A 101 -4.230 -1.009 -11.324 1.00 0.00 C ATOM 569 O GLU A 101 -4.629 -1.024 -12.487 1.00 0.00 O ATOM 570 CB GLU A 101 -2.677 1.026 -11.477 1.00 0.00 C ATOM 571 CG GLU A 101 -3.673 2.122 -11.078 1.00 0.00 C ATOM 572 CD GLU A 101 -4.974 2.085 -11.876 1.00 0.00 C ATOM 573 OE1 GLU A 101 -4.916 2.429 -13.085 1.00 0.00 O ATOM 574 OE2 GLU A 101 -6.012 1.714 -11.275 1.00 0.00 O ATOM 0 H GLU A 101 -1.135 -0.877 -11.807 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.091 -0.203 -9.792 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.675 1.349 -11.196 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.687 0.927 -12.562 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.904 2.023 -10.017 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.202 3.096 -11.212 1.00 0.00 H new ATOM 575 N ARG A 102 -4.843 -1.570 -10.295 1.00 0.00 N ATOM 576 CA ARG A 102 -6.154 -2.228 -10.297 1.00 0.00 C ATOM 577 C ARG A 102 -7.128 -1.185 -9.749 1.00 0.00 C ATOM 578 O ARG A 102 -6.870 -0.492 -8.754 1.00 0.00 O ATOM 579 CB ARG A 102 -6.066 -3.372 -9.289 1.00 0.00 C ATOM 580 CG ARG A 102 -5.014 -4.445 -9.543 1.00 0.00 C ATOM 581 CD ARG A 102 -5.491 -5.415 -10.623 1.00 0.00 C ATOM 582 NE ARG A 102 -6.585 -6.225 -10.050 1.00 0.00 N ATOM 583 CZ ARG A 102 -6.756 -7.529 -10.228 1.00 0.00 C ATOM 584 NH1 ARG A 102 -5.897 -8.257 -10.935 1.00 0.00 N ATOM 585 NH2 ARG A 102 -7.810 -8.139 -9.708 1.00 0.00 N ATOM 0 H ARG A 102 -4.415 -1.583 -9.369 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.456 -2.595 -11.278 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.879 -2.942 -8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.040 -3.858 -9.244 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.078 -3.979 -9.851 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.811 -4.989 -8.621 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.839 -4.869 -11.500 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.672 -6.056 -10.950 1.00 0.00 H new ATOM 0 HE ARG A 102 -7.268 -5.741 -9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.081 -7.815 -11.357 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.054 -9.258 -11.055 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.493 -7.607 -9.169 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.939 -9.141 -9.846 1.00 0.00 H new ATOM 586 N LEU A 103 -8.273 -1.074 -10.396 1.00 0.00 N ATOM 587 CA LEU A 103 -9.226 -0.003 -10.073 1.00 0.00 C ATOM 588 C LEU A 103 -10.623 -0.525 -9.739 1.00 0.00 C ATOM 589 O LEU A 103 -11.249 -1.266 -10.493 1.00 0.00 O ATOM 590 CB LEU A 103 -9.258 0.982 -11.241 1.00 0.00 C ATOM 591 CG LEU A 103 -9.875 2.344 -10.930 1.00 0.00 C ATOM 592 CD1 LEU A 103 -9.306 3.005 -9.668 1.00 0.00 C ATOM 593 CD2 LEU A 103 -9.742 3.253 -12.158 1.00 0.00 C ATOM 0 H LEU A 103 -8.573 -1.700 -11.143 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.887 0.501 -9.168 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.238 1.136 -11.593 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.814 0.529 -12.062 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.930 2.183 -10.708 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.792 3.968 -9.511 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.488 2.362 -8.807 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.233 3.155 -9.788 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.181 4.226 -11.940 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.688 3.378 -12.406 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.262 2.802 -13.003 1.00 0.00 H new ATOM 594 N GLU A 104 -11.194 0.139 -8.730 1.00 0.00 N ATOM 595 CA GLU A 104 -12.579 -0.087 -8.279 1.00 0.00 C ATOM 596 C GLU A 104 -13.592 0.787 -9.048 1.00 0.00 C ATOM 597 O GLU A 104 -14.764 0.890 -8.666 1.00 0.00 O ATOM 598 CB GLU A 104 -12.707 0.255 -6.792 1.00 0.00 C ATOM 599 CG GLU A 104 -11.808 -0.596 -5.882 1.00 0.00 C ATOM 600 CD GLU A 104 -12.071 -2.107 -5.912 1.00 0.00 C ATOM 601 OE1 GLU A 104 -13.247 -2.510 -5.863 1.00 0.00 O ATOM 602 OE2 GLU A 104 -11.058 -2.835 -5.884 1.00 0.00 O ATOM 0 H GLU A 104 -10.706 0.857 -8.195 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.801 -1.138 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.462 1.307 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.745 0.125 -6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.769 -0.421 -6.162 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.925 -0.246 -4.856 1.00 0.00 H new ATOM 603 N GLU A 105 -13.152 1.333 -10.189 1.00 0.00 N ATOM 604 CA GLU A 105 -13.780 2.432 -10.951 1.00 0.00 C ATOM 605 C GLU A 105 -13.910 3.762 -10.221 1.00 0.00 C ATOM 606 O GLU A 105 -13.562 4.813 -10.740 1.00 0.00 O ATOM 607 CB GLU A 105 -15.119 2.025 -11.605 1.00 0.00 C ATOM 608 CG GLU A 105 -14.913 1.281 -12.918 1.00 0.00 C ATOM 609 CD GLU A 105 -14.211 -0.071 -12.735 1.00 0.00 C ATOM 610 OE1 GLU A 105 -14.930 -1.037 -12.410 1.00 0.00 O ATOM 611 OE2 GLU A 105 -12.974 -0.104 -12.928 1.00 0.00 O ATOM 0 H GLU A 105 -12.297 1.003 -10.636 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.052 2.617 -11.741 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.681 1.395 -10.916 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.720 2.916 -11.784 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.880 1.121 -13.394 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.324 1.902 -13.593 1.00 0.00 H new ATOM 612 N ASN A 106 -14.387 3.643 -8.992 1.00 0.00 N ATOM 613 CA ASN A 106 -14.253 4.680 -7.967 1.00 0.00 C ATOM 614 C ASN A 106 -12.758 4.735 -7.585 1.00 0.00 C ATOM 615 O ASN A 106 -12.048 3.735 -7.685 1.00 0.00 O ATOM 616 CB ASN A 106 -15.102 4.233 -6.783 1.00 0.00 C ATOM 617 CG ASN A 106 -15.504 5.406 -5.874 1.00 0.00 C ATOM 618 OD1 ASN A 106 -14.679 6.039 -5.235 1.00 0.00 O ATOM 619 ND2 ASN A 106 -16.742 5.865 -5.947 1.00 0.00 N ATOM 0 H ASN A 106 -14.886 2.814 -8.669 1.00 0.00 H new ATOM 0 HA ASN A 106 -14.579 5.666 -8.298 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -16.000 3.737 -7.150 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.548 3.498 -6.199 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.993 6.733 -5.474 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -17.446 5.351 -6.476 1.00 0.00 H new ATOM 620 N HIS A 107 -12.427 5.828 -6.933 1.00 0.00 N ATOM 621 CA HIS A 107 -11.057 6.290 -6.577 1.00 0.00 C ATOM 622 C HIS A 107 -10.203 5.316 -5.754 1.00 0.00 C ATOM 623 O HIS A 107 -8.991 5.498 -5.649 1.00 0.00 O ATOM 624 CB HIS A 107 -11.200 7.618 -5.828 1.00 0.00 C ATOM 625 CG HIS A 107 -12.020 8.630 -6.630 1.00 0.00 C ATOM 626 ND1 HIS A 107 -13.350 8.641 -6.730 1.00 0.00 N ATOM 627 CD2 HIS A 107 -11.538 9.490 -7.516 1.00 0.00 C ATOM 628 CE1 HIS A 107 -13.680 9.479 -7.710 1.00 0.00 C ATOM 629 NE2 HIS A 107 -12.557 10.005 -8.177 1.00 0.00 N ATOM 0 H HIS A 107 -13.140 6.479 -6.604 1.00 0.00 H new ATOM 0 HA HIS A 107 -10.511 6.383 -7.516 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -11.678 7.443 -4.864 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -10.212 8.030 -5.624 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -10.496 9.727 -7.670 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -14.679 9.691 -8.060 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -12.491 10.695 -8.925 1.00 0.00 H new ATOM 630 N TYR A 108 -10.832 4.267 -5.223 1.00 0.00 N ATOM 631 CA TYR A 108 -10.135 3.200 -4.503 1.00 0.00 C ATOM 632 C TYR A 108 -9.301 2.405 -5.508 1.00 0.00 C ATOM 633 O TYR A 108 -9.791 1.818 -6.477 1.00 0.00 O ATOM 634 CB TYR A 108 -11.065 2.202 -3.819 1.00 0.00 C ATOM 635 CG TYR A 108 -12.174 2.856 -3.021 1.00 0.00 C ATOM 636 CD1 TYR A 108 -11.853 3.593 -1.862 1.00 0.00 C ATOM 637 CD2 TYR A 108 -13.484 2.784 -3.532 1.00 0.00 C ATOM 638 CE1 TYR A 108 -12.879 4.291 -1.206 1.00 0.00 C ATOM 639 CE2 TYR A 108 -14.511 3.481 -2.875 1.00 0.00 C ATOM 640 CZ TYR A 108 -14.190 4.232 -1.721 1.00 0.00 C ATOM 641 OH TYR A 108 -15.184 4.837 -1.033 1.00 0.00 O ATOM 0 H TYR A 108 -11.842 4.133 -5.280 1.00 0.00 H new ATOM 0 HA TYR A 108 -9.541 3.690 -3.732 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.507 1.553 -4.575 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -10.478 1.566 -3.156 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.840 3.620 -1.488 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -13.696 2.201 -4.416 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.667 4.867 -0.317 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -15.525 3.444 -3.244 1.00 0.00 H new ATOM 0 HH TYR A 108 -16.032 4.715 -1.508 1.00 0.00 H new ATOM 642 N ASN A 109 -8.013 2.668 -5.348 1.00 0.00 N ATOM 643 CA ASN A 109 -6.935 2.004 -6.064 1.00 0.00 C ATOM 644 C ASN A 109 -6.502 0.757 -5.277 1.00 0.00 C ATOM 645 O ASN A 109 -6.332 0.784 -4.056 1.00 0.00 O ATOM 646 CB ASN A 109 -5.763 2.975 -6.118 1.00 0.00 C ATOM 647 CG ASN A 109 -5.788 3.941 -7.299 1.00 0.00 C ATOM 648 OD1 ASN A 109 -5.006 3.836 -8.232 1.00 0.00 O ATOM 649 ND2 ASN A 109 -6.596 4.985 -7.216 1.00 0.00 N ATOM 0 H ASN A 109 -7.678 3.375 -4.693 1.00 0.00 H new ATOM 0 HA ASN A 109 -7.255 1.712 -7.064 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.745 3.553 -5.194 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -4.836 2.403 -6.154 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -6.569 5.709 -7.934 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -7.246 5.066 -6.434 1.00 0.00 H new ATOM 650 N THR A 110 -6.518 -0.344 -6.004 1.00 0.00 N ATOM 651 CA THR A 110 -6.024 -1.640 -5.512 1.00 0.00 C ATOM 652 C THR A 110 -4.782 -2.014 -6.335 1.00 0.00 C ATOM 653 O THR A 110 -4.600 -1.537 -7.456 1.00 0.00 O ATOM 654 CB THR A 110 -7.143 -2.686 -5.571 1.00 0.00 C ATOM 655 OG1 THR A 110 -7.707 -2.789 -6.885 1.00 0.00 O ATOM 656 CG2 THR A 110 -8.269 -2.366 -4.588 1.00 0.00 C ATOM 0 H THR A 110 -6.874 -0.377 -6.959 1.00 0.00 H new ATOM 0 HA THR A 110 -5.727 -1.588 -4.464 1.00 0.00 H new ATOM 0 HB THR A 110 -6.680 -3.635 -5.299 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.332 -3.544 -6.915 1.00 0.00 H new ATOM 0 HG21 THR A 110 -9.043 -3.130 -4.660 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.871 -2.346 -3.573 1.00 0.00 H new ATOM 0 HG23 THR A 110 -8.697 -1.393 -4.829 1.00 0.00 H new ATOM 657 N TYR A 111 -3.824 -2.662 -5.685 1.00 0.00 N ATOM 658 CA TYR A 111 -2.483 -2.810 -6.281 1.00 0.00 C ATOM 659 C TYR A 111 -1.787 -4.155 -6.035 1.00 0.00 C ATOM 660 O TYR A 111 -1.367 -4.448 -4.917 1.00 0.00 O ATOM 661 CB TYR A 111 -1.570 -1.680 -5.790 1.00 0.00 C ATOM 662 CG TYR A 111 -1.975 -0.227 -6.035 1.00 0.00 C ATOM 663 CD1 TYR A 111 -2.203 0.211 -7.356 1.00 0.00 C ATOM 664 CD2 TYR A 111 -1.921 0.681 -4.962 1.00 0.00 C ATOM 665 CE1 TYR A 111 -2.377 1.583 -7.614 1.00 0.00 C ATOM 666 CE2 TYR A 111 -2.074 2.050 -5.211 1.00 0.00 C ATOM 667 CZ TYR A 111 -2.302 2.488 -6.532 1.00 0.00 C ATOM 668 OH TYR A 111 -2.600 3.797 -6.746 1.00 0.00 O ATOM 0 H TYR A 111 -3.936 -3.088 -4.765 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.653 -2.762 -7.357 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.442 -1.807 -4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -0.592 -1.828 -6.247 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -2.244 -0.503 -8.165 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -1.763 0.325 -3.955 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -2.564 1.937 -8.617 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -2.018 2.762 -4.401 1.00 0.00 H new ATOM 0 HH TYR A 111 -3.271 3.868 -7.457 1.00 0.00 H new ATOM 669 N ILE A 112 -1.619 -4.899 -7.129 1.00 0.00 N ATOM 670 CA ILE A 112 -0.830 -6.160 -7.123 1.00 0.00 C ATOM 671 C ILE A 112 0.651 -5.786 -6.987 1.00 0.00 C ATOM 672 O ILE A 112 1.184 -5.018 -7.780 1.00 0.00 O ATOM 673 CB ILE A 112 -0.969 -6.978 -8.423 1.00 0.00 C ATOM 674 CG1 ILE A 112 -2.414 -7.299 -8.821 1.00 0.00 C ATOM 675 CG2 ILE A 112 -0.095 -8.248 -8.474 1.00 0.00 C ATOM 676 CD1 ILE A 112 -3.163 -8.314 -7.944 1.00 0.00 C ATOM 0 H ILE A 112 -2.014 -4.661 -8.039 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.205 -6.769 -6.300 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.578 -6.292 -9.175 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -2.981 -6.368 -8.823 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.410 -7.672 -9.845 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.255 -8.762 -9.422 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.955 -7.971 -8.384 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.367 -8.910 -7.652 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.173 -8.453 -8.330 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.634 -9.267 -7.958 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.214 -7.943 -6.921 1.00 0.00 H new ATOM 677 N SER A 113 1.336 -6.496 -6.102 1.00 0.00 N ATOM 678 CA SER A 113 2.813 -6.436 -6.028 1.00 0.00 C ATOM 679 C SER A 113 3.349 -7.208 -7.237 1.00 0.00 C ATOM 680 O SER A 113 3.096 -8.402 -7.370 1.00 0.00 O ATOM 681 CB SER A 113 3.355 -7.037 -4.730 1.00 0.00 C ATOM 682 OG SER A 113 4.768 -6.831 -4.683 1.00 0.00 O ATOM 0 H SER A 113 0.906 -7.123 -5.421 1.00 0.00 H new ATOM 0 HA SER A 113 3.139 -5.396 -6.038 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.877 -6.570 -3.869 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.127 -8.102 -4.683 1.00 0.00 H new ATOM 0 HG SER A 113 4.956 -5.933 -4.339 1.00 0.00 H new ATOM 683 N LYS A 114 3.946 -6.460 -8.156 1.00 0.00 N ATOM 684 CA LYS A 114 4.453 -6.947 -9.448 1.00 0.00 C ATOM 685 C LYS A 114 5.072 -8.352 -9.432 1.00 0.00 C ATOM 686 O LYS A 114 4.638 -9.228 -10.162 1.00 0.00 O ATOM 687 CB LYS A 114 5.490 -5.942 -9.974 1.00 0.00 C ATOM 688 CG LYS A 114 4.993 -5.207 -11.212 1.00 0.00 C ATOM 689 CD LYS A 114 5.193 -6.062 -12.457 1.00 0.00 C ATOM 690 CE LYS A 114 4.575 -5.380 -13.666 1.00 0.00 C ATOM 691 NZ LYS A 114 4.879 -6.190 -14.855 1.00 0.00 N ATOM 0 H LYS A 114 4.100 -5.460 -8.025 1.00 0.00 H new ATOM 0 HA LYS A 114 3.582 -7.030 -10.098 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.724 -5.219 -9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.416 -6.466 -10.211 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.937 -4.963 -11.097 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.528 -4.264 -11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.257 -6.226 -12.627 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.738 -7.042 -12.311 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.497 -5.283 -13.538 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.975 -4.372 -13.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 4.465 -5.741 -15.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.910 -6.261 -14.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.478 -7.142 -14.738 1.00 0.00 H new ATOM 692 N LYS A 115 5.973 -8.574 -8.478 1.00 0.00 N ATOM 693 CA LYS A 115 6.639 -9.884 -8.367 1.00 0.00 C ATOM 694 C LYS A 115 5.716 -10.997 -7.820 1.00 0.00 C ATOM 695 O LYS A 115 5.623 -12.067 -8.406 1.00 0.00 O ATOM 696 CB LYS A 115 7.953 -9.728 -7.593 1.00 0.00 C ATOM 697 CG LYS A 115 7.773 -9.550 -6.079 1.00 0.00 C ATOM 698 CD LYS A 115 8.698 -10.480 -5.290 1.00 0.00 C ATOM 699 CE LYS A 115 8.358 -11.956 -5.449 1.00 0.00 C ATOM 700 NZ LYS A 115 9.309 -12.636 -6.328 1.00 0.00 N ATOM 0 H LYS A 115 6.259 -7.886 -7.782 1.00 0.00 H new ATOM 0 HA LYS A 115 6.885 -10.231 -9.371 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.574 -10.605 -7.773 1.00 0.00 H new ATOM 0 HB3 LYS A 115 8.494 -8.868 -7.987 1.00 0.00 H new ATOM 0 HG2 LYS A 115 7.978 -8.515 -5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.736 -9.751 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.726 -10.316 -5.613 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.650 -10.216 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.357 -12.437 -4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.351 -12.056 -5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.471 -13.603 -5.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 8.924 -12.673 -7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.209 -12.115 -6.334 1.00 0.00 H new ATOM 701 N HIS A 116 4.847 -10.608 -6.880 1.00 0.00 N ATOM 702 CA HIS A 116 3.836 -11.473 -6.237 1.00 0.00 C ATOM 703 C HIS A 116 2.538 -11.554 -7.052 1.00 0.00 C ATOM 704 O HIS A 116 1.486 -11.942 -6.540 1.00 0.00 O ATOM 705 CB HIS A 116 3.540 -10.912 -4.838 1.00 0.00 C ATOM 706 CG HIS A 116 4.777 -10.766 -3.955 1.00 0.00 C ATOM 707 ND1 HIS A 116 5.195 -9.645 -3.381 1.00 0.00 N ATOM 708 CD2 HIS A 116 5.597 -11.739 -3.579 1.00 0.00 C ATOM 709 CE1 HIS A 116 6.272 -9.919 -2.659 1.00 0.00 C ATOM 710 NE2 HIS A 116 6.525 -11.215 -2.788 1.00 0.00 N ATOM 0 H HIS A 116 4.823 -9.650 -6.530 1.00 0.00 H new ATOM 0 HA HIS A 116 4.235 -12.485 -6.175 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.063 -9.938 -4.942 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.825 -11.566 -4.339 1.00 0.00 H new ATOM 0 HD1 HIS A 116 4.761 -8.727 -3.479 1.00 0.00 H new ATOM 0 HD2 HIS A 116 5.522 -12.777 -3.867 1.00 0.00 H new ATOM 0 HE1 HIS A 116 6.841 -9.214 -2.071 1.00 0.00 H new ATOM 711 N ALA A 117 2.663 -11.323 -8.356 1.00 0.00 N ATOM 712 CA ALA A 117 1.605 -11.520 -9.358 1.00 0.00 C ATOM 713 C ALA A 117 1.183 -12.989 -9.426 1.00 0.00 C ATOM 714 O ALA A 117 -0.007 -13.291 -9.449 1.00 0.00 O ATOM 715 CB ALA A 117 2.113 -11.052 -10.728 1.00 0.00 C ATOM 0 H ALA A 117 3.533 -10.981 -8.765 1.00 0.00 H new ATOM 0 HA ALA A 117 0.733 -10.933 -9.070 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.332 -11.196 -11.474 1.00 0.00 H new ATOM 0 HB2 ALA A 117 2.376 -9.995 -10.677 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.993 -11.632 -11.007 1.00 0.00 H new ATOM 716 N GLU A 118 2.159 -13.861 -9.162 1.00 0.00 N ATOM 717 CA GLU A 118 1.910 -15.315 -9.095 1.00 0.00 C ATOM 718 C GLU A 118 1.207 -15.804 -7.811 1.00 0.00 C ATOM 719 O GLU A 118 0.887 -16.983 -7.661 1.00 0.00 O ATOM 720 CB GLU A 118 3.189 -16.098 -9.421 1.00 0.00 C ATOM 721 CG GLU A 118 4.316 -15.841 -8.425 1.00 0.00 C ATOM 722 CD GLU A 118 5.660 -16.318 -8.976 1.00 0.00 C ATOM 723 OE1 GLU A 118 5.846 -17.555 -9.038 1.00 0.00 O ATOM 724 OE2 GLU A 118 6.453 -15.429 -9.337 1.00 0.00 O ATOM 0 H GLU A 118 3.128 -13.593 -8.991 1.00 0.00 H new ATOM 0 HA GLU A 118 1.173 -15.528 -9.869 1.00 0.00 H new ATOM 0 HB2 GLU A 118 2.962 -17.164 -9.437 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.528 -15.829 -10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 118 4.370 -14.776 -8.199 1.00 0.00 H new ATOM 0 HG3 GLU A 118 4.101 -16.355 -7.488 1.00 0.00 H new ATOM 725 N LYS A 119 1.001 -14.863 -6.898 1.00 0.00 N ATOM 726 CA LYS A 119 0.274 -15.042 -5.627 1.00 0.00 C ATOM 727 C LYS A 119 -0.954 -14.126 -5.483 1.00 0.00 C ATOM 728 O LYS A 119 -1.795 -14.393 -4.624 1.00 0.00 O ATOM 729 CB LYS A 119 1.277 -14.793 -4.494 1.00 0.00 C ATOM 730 CG LYS A 119 2.160 -16.022 -4.254 1.00 0.00 C ATOM 731 CD LYS A 119 3.578 -15.637 -3.822 1.00 0.00 C ATOM 732 CE LYS A 119 4.337 -15.088 -5.027 1.00 0.00 C ATOM 733 NZ LYS A 119 5.732 -14.778 -4.678 1.00 0.00 N ATOM 0 H LYS A 119 1.347 -13.911 -7.019 1.00 0.00 H new ATOM 0 HA LYS A 119 -0.128 -16.055 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 119 1.903 -13.935 -4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.741 -14.543 -3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.706 -16.650 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.208 -16.617 -5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.539 -14.889 -3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 119 4.096 -16.506 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.315 -15.817 -5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.842 -14.189 -5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.033 -13.919 -5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.807 -14.624 -3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.344 -15.572 -4.954 1.00 0.00 H new ATOM 734 N ASN A 120 -1.125 -13.198 -6.437 1.00 0.00 N ATOM 735 CA ASN A 120 -2.153 -12.129 -6.474 1.00 0.00 C ATOM 736 C ASN A 120 -2.105 -11.146 -5.295 1.00 0.00 C ATOM 737 O ASN A 120 -3.014 -10.354 -5.108 1.00 0.00 O ATOM 738 CB ASN A 120 -3.568 -12.728 -6.577 1.00 0.00 C ATOM 739 CG ASN A 120 -3.729 -13.656 -7.781 1.00 0.00 C ATOM 740 OD1 ASN A 120 -3.938 -13.240 -8.910 1.00 0.00 O ATOM 741 ND2 ASN A 120 -3.588 -14.936 -7.556 1.00 0.00 N ATOM 0 H ASN A 120 -0.517 -13.166 -7.255 1.00 0.00 H new ATOM 0 HA ASN A 120 -1.914 -11.551 -7.367 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -3.791 -13.281 -5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -4.296 -11.920 -6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -3.652 -15.600 -8.328 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -3.414 -15.271 -6.609 1.00 0.00 H new ATOM 742 N TRP A 121 -0.938 -11.066 -4.660 1.00 0.00 N ATOM 743 CA TRP A 121 -0.787 -10.274 -3.436 1.00 0.00 C ATOM 744 C TRP A 121 -0.900 -8.767 -3.661 1.00 0.00 C ATOM 745 O TRP A 121 -0.105 -8.155 -4.386 1.00 0.00 O ATOM 746 CB TRP A 121 0.510 -10.537 -2.683 1.00 0.00 C ATOM 747 CG TRP A 121 0.619 -11.922 -2.065 1.00 0.00 C ATOM 748 CD1 TRP A 121 -0.349 -12.827 -1.928 1.00 0.00 C ATOM 749 CD2 TRP A 121 1.776 -12.439 -1.488 1.00 0.00 C ATOM 750 NE1 TRP A 121 0.162 -13.911 -1.324 1.00 0.00 N ATOM 751 CE2 TRP A 121 1.435 -13.722 -1.033 1.00 0.00 C ATOM 752 CE3 TRP A 121 3.074 -11.936 -1.350 1.00 0.00 C ATOM 753 CZ2 TRP A 121 2.407 -14.527 -0.403 1.00 0.00 C ATOM 754 CZ3 TRP A 121 4.065 -12.758 -0.774 1.00 0.00 C ATOM 755 CH2 TRP A 121 3.721 -14.038 -0.287 1.00 0.00 C ATOM 0 H TRP A 121 -0.087 -11.536 -4.968 1.00 0.00 H new ATOM 0 HA TRP A 121 -1.626 -10.614 -2.829 1.00 0.00 H new ATOM 0 HB2 TRP A 121 1.346 -10.393 -3.367 1.00 0.00 H new ATOM 0 HB3 TRP A 121 0.612 -9.793 -1.893 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -1.373 -12.708 -2.249 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -0.361 -14.762 -1.119 1.00 0.00 H new ATOM 0 HE3 TRP A 121 3.313 -10.935 -1.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 2.147 -15.501 -0.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 5.085 -12.409 -0.706 1.00 0.00 H new ATOM 0 HH2 TRP A 121 4.477 -14.650 0.181 1.00 0.00 H new ATOM 756 N PHE A 122 -1.981 -8.264 -3.103 1.00 0.00 N ATOM 757 CA PHE A 122 -2.219 -6.825 -3.038 1.00 0.00 C ATOM 758 C PHE A 122 -1.599 -6.220 -1.773 1.00 0.00 C ATOM 759 O PHE A 122 -1.071 -6.929 -0.911 1.00 0.00 O ATOM 760 CB PHE A 122 -3.722 -6.557 -2.987 1.00 0.00 C ATOM 761 CG PHE A 122 -4.473 -6.894 -4.267 1.00 0.00 C ATOM 762 CD1 PHE A 122 -5.055 -8.163 -4.414 1.00 0.00 C ATOM 763 CD2 PHE A 122 -4.700 -5.866 -5.207 1.00 0.00 C ATOM 764 CE1 PHE A 122 -5.884 -8.428 -5.524 1.00 0.00 C ATOM 765 CE2 PHE A 122 -5.539 -6.122 -6.312 1.00 0.00 C ATOM 766 CZ PHE A 122 -6.117 -7.408 -6.464 1.00 0.00 C ATOM 0 H PHE A 122 -2.718 -8.830 -2.683 1.00 0.00 H new ATOM 0 HA PHE A 122 -1.767 -6.374 -3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.152 -7.133 -2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.882 -5.504 -2.755 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.869 -8.933 -3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.238 -4.898 -5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -6.334 -9.402 -5.650 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -5.739 -5.346 -7.036 1.00 0.00 H new ATOM 0 HZ PHE A 122 -6.748 -7.608 -7.317 1.00 0.00 H new ATOM 767 N VAL A 123 -1.403 -4.919 -1.863 1.00 0.00 N ATOM 768 CA VAL A 123 -1.239 -4.035 -0.699 1.00 0.00 C ATOM 769 C VAL A 123 -2.601 -3.891 0.014 1.00 0.00 C ATOM 770 O VAL A 123 -3.623 -3.781 -0.667 1.00 0.00 O ATOM 771 CB VAL A 123 -0.653 -2.685 -1.179 1.00 0.00 C ATOM 772 CG1 VAL A 123 -1.333 -2.123 -2.424 1.00 0.00 C ATOM 773 CG2 VAL A 123 -0.694 -1.591 -0.125 1.00 0.00 C ATOM 0 H VAL A 123 -1.351 -4.428 -2.755 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.540 -4.449 0.028 1.00 0.00 H new ATOM 0 HB VAL A 123 0.380 -2.947 -1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -0.867 -1.177 -2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -1.228 -2.830 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -2.391 -1.960 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -0.267 -0.675 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.727 -1.409 0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.117 -1.903 0.746 1.00 0.00 H new ATOM 774 N GLY A 124 -2.569 -3.717 1.326 1.00 0.00 N ATOM 775 CA GLY A 124 -3.806 -3.649 2.131 1.00 0.00 C ATOM 776 C GLY A 124 -3.609 -3.269 3.589 1.00 0.00 C ATOM 777 O GLY A 124 -2.520 -3.361 4.165 1.00 0.00 O ATOM 0 H GLY A 124 -1.709 -3.619 1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.480 -2.926 1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.302 -4.619 2.089 1.00 0.00 H new ATOM 778 N LEU A 125 -4.672 -2.639 4.032 1.00 0.00 N ATOM 779 CA LEU A 125 -4.813 -2.054 5.378 1.00 0.00 C ATOM 780 C LEU A 125 -5.604 -2.953 6.312 1.00 0.00 C ATOM 781 O LEU A 125 -6.651 -3.518 5.973 1.00 0.00 O ATOM 782 CB LEU A 125 -5.488 -0.685 5.221 1.00 0.00 C ATOM 783 CG LEU A 125 -4.455 0.433 5.258 1.00 0.00 C ATOM 784 CD1 LEU A 125 -3.382 0.299 4.193 1.00 0.00 C ATOM 785 CD2 LEU A 125 -5.150 1.793 5.097 1.00 0.00 C ATOM 0 H LEU A 125 -5.503 -2.506 3.456 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.829 -1.944 5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -6.035 -0.650 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.217 -0.540 6.019 1.00 0.00 H new ATOM 0 HG LEU A 125 -3.961 0.360 6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.680 1.129 4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.850 -0.642 4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -3.845 0.314 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -4.405 2.588 5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -5.676 1.822 4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -5.863 1.936 5.909 1.00 0.00 H new ATOM 786 N LYS A 126 -5.019 -3.149 7.479 1.00 0.00 N ATOM 787 CA LYS A 126 -5.659 -3.935 8.529 1.00 0.00 C ATOM 788 C LYS A 126 -6.653 -3.076 9.344 1.00 0.00 C ATOM 789 O LYS A 126 -6.365 -1.919 9.647 1.00 0.00 O ATOM 790 CB LYS A 126 -4.574 -4.471 9.466 1.00 0.00 C ATOM 791 CG LYS A 126 -4.994 -5.564 10.453 1.00 0.00 C ATOM 792 CD LYS A 126 -3.964 -5.732 11.569 1.00 0.00 C ATOM 793 CE LYS A 126 -3.768 -4.454 12.378 1.00 0.00 C ATOM 794 NZ LYS A 126 -2.967 -4.727 13.581 1.00 0.00 N ATOM 0 H LYS A 126 -4.102 -2.777 7.728 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.213 -4.752 8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.759 -4.859 8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -4.173 -3.633 10.037 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -5.963 -5.314 10.885 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -5.116 -6.508 9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -4.281 -6.535 12.235 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -3.010 -6.035 11.137 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -3.272 -3.701 11.766 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -4.737 -4.045 12.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -2.842 -3.847 14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -3.456 -5.430 14.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.036 -5.097 13.302 1.00 0.00 H new ATOM 795 N LYS A 127 -7.773 -3.673 9.735 1.00 0.00 N ATOM 796 CA LYS A 127 -8.933 -2.981 10.369 1.00 0.00 C ATOM 797 C LYS A 127 -8.774 -2.451 11.807 1.00 0.00 C ATOM 798 O LYS A 127 -9.734 -2.021 12.444 1.00 0.00 O ATOM 799 CB LYS A 127 -10.173 -3.886 10.275 1.00 0.00 C ATOM 800 CG LYS A 127 -10.889 -3.835 8.921 1.00 0.00 C ATOM 801 CD LYS A 127 -10.106 -4.357 7.717 1.00 0.00 C ATOM 802 CE LYS A 127 -9.790 -5.858 7.768 1.00 0.00 C ATOM 803 NZ LYS A 127 -9.140 -6.204 6.501 1.00 0.00 N ATOM 0 H LYS A 127 -7.922 -4.676 9.626 1.00 0.00 H new ATOM 0 HA LYS A 127 -9.029 -2.063 9.789 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -9.874 -4.915 10.476 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -10.877 -3.600 11.056 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -11.813 -4.408 9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -11.171 -2.801 8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.675 -4.149 6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -9.170 -3.804 7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -9.137 -6.086 8.611 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.702 -6.439 7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.970 -7.229 6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -9.755 -5.929 5.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -8.233 -5.700 6.427 1.00 0.00 H new ATOM 804 N ASN A 128 -7.521 -2.231 12.169 1.00 0.00 N ATOM 805 CA ASN A 128 -7.067 -1.823 13.509 1.00 0.00 C ATOM 806 C ASN A 128 -5.996 -0.714 13.429 1.00 0.00 C ATOM 807 O ASN A 128 -5.779 0.013 14.397 1.00 0.00 O ATOM 808 CB ASN A 128 -6.415 -3.025 14.170 1.00 0.00 C ATOM 809 CG ASN A 128 -7.390 -4.168 14.463 1.00 0.00 C ATOM 810 OD1 ASN A 128 -7.626 -5.058 13.654 1.00 0.00 O ATOM 811 ND2 ASN A 128 -7.987 -4.159 15.639 1.00 0.00 N ATOM 0 H ASN A 128 -6.747 -2.334 11.512 1.00 0.00 H new ATOM 0 HA ASN A 128 -7.928 -1.453 14.066 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -5.618 -3.395 13.526 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -5.949 -2.708 15.103 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -8.650 -4.896 15.880 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -7.786 -3.415 16.307 1.00 0.00 H new ATOM 812 N GLY A 129 -5.305 -0.683 12.294 1.00 0.00 N ATOM 813 CA GLY A 129 -4.138 0.182 12.086 1.00 0.00 C ATOM 814 C GLY A 129 -3.333 -0.307 10.867 1.00 0.00 C ATOM 815 O GLY A 129 -3.792 -0.137 9.743 1.00 0.00 O ATOM 0 H GLY A 129 -5.537 -1.259 11.485 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -4.461 1.211 11.930 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -3.507 0.177 12.975 1.00 0.00 H new ATOM 816 N SER A 130 -2.461 -1.260 11.166 1.00 0.00 N ATOM 817 CA SER A 130 -1.278 -1.571 10.334 1.00 0.00 C ATOM 818 C SER A 130 -1.509 -2.067 8.893 1.00 0.00 C ATOM 819 O SER A 130 -2.605 -2.461 8.511 1.00 0.00 O ATOM 820 CB SER A 130 -0.343 -2.510 11.119 1.00 0.00 C ATOM 821 OG SER A 130 0.856 -2.727 10.384 1.00 0.00 O ATOM 0 H SER A 130 -2.544 -1.849 11.994 1.00 0.00 H new ATOM 0 HA SER A 130 -0.817 -0.601 10.149 1.00 0.00 H new ATOM 0 HB2 SER A 130 -0.110 -2.076 12.091 1.00 0.00 H new ATOM 0 HB3 SER A 130 -0.842 -3.461 11.306 1.00 0.00 H new ATOM 0 HG SER A 130 1.583 -2.204 10.782 1.00 0.00 H new ATOM 822 N CYS A 131 -0.468 -2.021 8.068 1.00 0.00 N ATOM 823 CA CYS A 131 -0.573 -2.412 6.658 1.00 0.00 C ATOM 824 C CYS A 131 -0.255 -3.907 6.552 1.00 0.00 C ATOM 825 O CYS A 131 0.902 -4.341 6.488 1.00 0.00 O ATOM 826 CB CYS A 131 0.350 -1.612 5.749 1.00 0.00 C ATOM 827 SG CYS A 131 -0.146 0.127 5.497 1.00 0.00 S ATOM 0 H CYS A 131 0.464 -1.716 8.349 1.00 0.00 H new ATOM 0 HA CYS A 131 -1.588 -2.201 6.320 1.00 0.00 H new ATOM 0 HB2 CYS A 131 1.356 -1.631 6.168 1.00 0.00 H new ATOM 0 HB3 CYS A 131 0.399 -2.106 4.779 1.00 0.00 H new ATOM 0 HG CYS A 131 -1.337 0.313 5.983 1.00 0.00 H new ATOM 828 N LYS A 132 -1.340 -4.665 6.542 1.00 0.00 N ATOM 829 CA LYS A 132 -1.236 -6.113 6.722 1.00 0.00 C ATOM 830 C LYS A 132 -1.493 -7.037 5.538 1.00 0.00 C ATOM 831 O LYS A 132 -2.313 -6.749 4.680 1.00 0.00 O ATOM 832 CB LYS A 132 -1.952 -6.617 7.985 1.00 0.00 C ATOM 833 CG LYS A 132 -1.100 -6.328 9.228 1.00 0.00 C ATOM 834 CD LYS A 132 0.222 -7.085 9.187 1.00 0.00 C ATOM 835 CE LYS A 132 1.343 -6.158 9.654 1.00 0.00 C ATOM 836 NZ LYS A 132 2.638 -6.757 9.339 1.00 0.00 N ATOM 0 H LYS A 132 -2.289 -4.314 6.414 1.00 0.00 H new ATOM 0 HA LYS A 132 -0.156 -6.198 6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -2.923 -6.131 8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -2.138 -7.688 7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -0.906 -5.258 9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -1.654 -6.609 10.124 1.00 0.00 H new ATOM 0 HD2 LYS A 132 0.171 -7.966 9.827 1.00 0.00 H new ATOM 0 HD3 LYS A 132 0.422 -7.437 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 132 1.252 -5.187 9.167 1.00 0.00 H new ATOM 0 HE3 LYS A 132 1.262 -5.985 10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 3.400 -6.125 9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 2.724 -7.673 9.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 2.714 -6.900 8.312 1.00 0.00 H new ATOM 837 N ARG A 133 -0.330 -7.613 5.279 1.00 0.00 N ATOM 838 CA ARG A 133 -0.137 -8.940 4.659 1.00 0.00 C ATOM 839 C ARG A 133 -0.767 -9.278 3.300 1.00 0.00 C ATOM 840 O ARG A 133 -1.967 -9.521 3.209 1.00 0.00 O ATOM 841 CB ARG A 133 -0.589 -10.048 5.607 1.00 0.00 C ATOM 842 CG ARG A 133 0.320 -10.174 6.832 1.00 0.00 C ATOM 843 CD ARG A 133 -0.145 -11.298 7.758 1.00 0.00 C ATOM 844 NE ARG A 133 0.289 -12.604 7.217 1.00 0.00 N ATOM 845 CZ ARG A 133 -0.488 -13.574 6.743 1.00 0.00 C ATOM 846 NH1 ARG A 133 -1.811 -13.487 6.709 1.00 0.00 N ATOM 847 NH2 ARG A 133 0.054 -14.643 6.183 1.00 0.00 N ATOM 0 H ARG A 133 0.555 -7.157 5.501 1.00 0.00 H new ATOM 0 HA ARG A 133 0.933 -8.879 4.460 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -1.610 -9.849 5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -0.606 -10.997 5.071 1.00 0.00 H new ATOM 0 HG2 ARG A 133 1.343 -10.366 6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 133 0.330 -9.231 7.378 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.267 -11.153 8.757 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -1.231 -11.277 7.855 1.00 0.00 H new ATOM 0 HE ARG A 133 1.294 -12.780 7.206 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -2.276 -12.648 7.056 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -2.363 -14.259 6.335 1.00 0.00 H new ATOM 0 HH21 ARG A 133 1.068 -14.724 6.114 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -0.543 -15.386 5.820 1.00 0.00 H new ATOM 848 N GLY A 134 0.170 -9.887 2.581 1.00 0.00 N ATOM 849 CA GLY A 134 0.037 -10.490 1.233 1.00 0.00 C ATOM 850 C GLY A 134 -0.986 -11.645 1.134 1.00 0.00 C ATOM 851 O GLY A 134 -1.977 -11.483 0.424 1.00 0.00 O ATOM 0 H GLY A 134 1.119 -9.987 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -0.249 -9.709 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.013 -10.861 0.919 1.00 0.00 H new ATOM 852 N PRO A 135 -0.720 -12.823 1.727 1.00 0.00 N ATOM 853 CA PRO A 135 -1.584 -14.010 1.584 1.00 0.00 C ATOM 854 C PRO A 135 -2.741 -13.898 2.593 1.00 0.00 C ATOM 855 O PRO A 135 -2.864 -14.641 3.568 1.00 0.00 O ATOM 856 CB PRO A 135 -0.616 -15.180 1.790 1.00 0.00 C ATOM 857 CG PRO A 135 0.368 -14.655 2.834 1.00 0.00 C ATOM 858 CD PRO A 135 0.448 -13.157 2.569 1.00 0.00 C ATOM 0 HA PRO A 135 -2.088 -14.133 0.625 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -1.135 -16.072 2.141 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -0.110 -15.450 0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 135 0.019 -14.860 3.846 1.00 0.00 H new ATOM 0 HG3 PRO A 135 1.345 -15.128 2.731 1.00 0.00 H new ATOM 0 HD2 PRO A 135 0.428 -12.595 3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 135 1.379 -12.901 2.063 1.00 0.00 H new ATOM 859 N ARG A 136 -3.620 -12.981 2.214 1.00 0.00 N ATOM 860 CA ARG A 136 -4.677 -12.356 3.052 1.00 0.00 C ATOM 861 C ARG A 136 -5.364 -11.235 2.250 1.00 0.00 C ATOM 862 O ARG A 136 -6.598 -11.160 2.195 1.00 0.00 O ATOM 863 CB ARG A 136 -4.011 -11.738 4.285 1.00 0.00 C ATOM 864 CG ARG A 136 -5.011 -11.235 5.329 1.00 0.00 C ATOM 865 CD ARG A 136 -4.329 -10.222 6.234 1.00 0.00 C ATOM 866 NE ARG A 136 -4.343 -8.878 5.619 1.00 0.00 N ATOM 867 CZ ARG A 136 -5.121 -7.850 5.997 1.00 0.00 C ATOM 868 NH1 ARG A 136 -5.768 -7.865 7.153 1.00 0.00 N ATOM 869 NH2 ARG A 136 -5.051 -6.697 5.366 1.00 0.00 N ATOM 0 H ARG A 136 -3.629 -12.621 1.260 1.00 0.00 H new ATOM 0 HA ARG A 136 -5.413 -13.104 3.346 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -3.358 -12.479 4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -3.378 -10.908 3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -5.870 -10.779 4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -5.389 -12.070 5.919 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -4.835 -10.191 7.199 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -3.301 -10.530 6.423 1.00 0.00 H new ATOM 0 HE ARG A 136 -3.706 -8.717 4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -5.681 -8.668 7.776 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -6.353 -7.074 7.420 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -4.404 -6.581 4.586 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -5.644 -5.920 5.657 1.00 0.00 H new ATOM 870 N THR A 137 -4.545 -10.375 1.651 1.00 0.00 N ATOM 871 CA THR A 137 -4.960 -9.237 0.807 1.00 0.00 C ATOM 872 C THR A 137 -5.273 -9.624 -0.635 1.00 0.00 C ATOM 873 O THR A 137 -4.381 -9.766 -1.471 1.00 0.00 O ATOM 874 CB THR A 137 -3.866 -8.158 0.834 1.00 0.00 C ATOM 875 OG1 THR A 137 -2.574 -8.735 0.688 1.00 0.00 O ATOM 876 CG2 THR A 137 -4.048 -7.254 2.046 1.00 0.00 C ATOM 0 H THR A 137 -3.531 -10.447 1.738 1.00 0.00 H new ATOM 0 HA THR A 137 -5.891 -8.856 1.228 1.00 0.00 H new ATOM 0 HB THR A 137 -3.964 -7.501 -0.030 1.00 0.00 H new ATOM 0 HG1 THR A 137 -2.013 -8.147 0.139 1.00 0.00 H new ATOM 0 HG21 THR A 137 -3.267 -6.494 2.054 1.00 0.00 H new ATOM 0 HG22 THR A 137 -5.024 -6.771 1.996 1.00 0.00 H new ATOM 0 HG23 THR A 137 -3.984 -7.849 2.957 1.00 0.00 H new ATOM 877 N HIS A 138 -6.567 -9.831 -0.871 1.00 0.00 N ATOM 878 CA HIS A 138 -7.114 -10.107 -2.211 1.00 0.00 C ATOM 879 C HIS A 138 -8.378 -9.292 -2.503 1.00 0.00 C ATOM 880 O HIS A 138 -9.012 -8.736 -1.602 1.00 0.00 O ATOM 881 CB HIS A 138 -7.364 -11.607 -2.384 1.00 0.00 C ATOM 882 CG HIS A 138 -8.449 -12.163 -1.449 1.00 0.00 C ATOM 883 ND1 HIS A 138 -9.766 -12.087 -1.644 1.00 0.00 N ATOM 884 CD2 HIS A 138 -8.236 -12.871 -0.342 1.00 0.00 C ATOM 885 CE1 HIS A 138 -10.364 -12.754 -0.664 1.00 0.00 C ATOM 886 NE2 HIS A 138 -9.420 -13.241 0.128 1.00 0.00 N ATOM 0 H HIS A 138 -7.275 -9.813 -0.137 1.00 0.00 H new ATOM 0 HA HIS A 138 -6.369 -9.792 -2.942 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -7.652 -11.802 -3.417 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -6.433 -12.145 -2.206 1.00 0.00 H new ATOM 0 HD1 HIS A 138 -10.232 -11.602 -2.411 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -7.275 -13.102 0.094 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -11.429 -12.877 -0.535 1.00 0.00 H new ATOM 887 N TYR A 139 -8.607 -9.062 -3.799 1.00 0.00 N ATOM 888 CA TYR A 139 -9.880 -8.496 -4.311 1.00 0.00 C ATOM 889 C TYR A 139 -11.106 -9.139 -3.653 1.00 0.00 C ATOM 890 O TYR A 139 -11.221 -10.365 -3.592 1.00 0.00 O ATOM 891 CB TYR A 139 -9.964 -8.633 -5.833 1.00 0.00 C ATOM 892 CG TYR A 139 -10.306 -7.301 -6.493 1.00 0.00 C ATOM 893 CD1 TYR A 139 -11.645 -6.920 -6.733 1.00 0.00 C ATOM 894 CD2 TYR A 139 -9.236 -6.507 -6.958 1.00 0.00 C ATOM 895 CE1 TYR A 139 -11.905 -5.726 -7.452 1.00 0.00 C ATOM 896 CE2 TYR A 139 -9.482 -5.324 -7.668 1.00 0.00 C ATOM 897 CZ TYR A 139 -10.818 -4.945 -7.917 1.00 0.00 C ATOM 898 OH TYR A 139 -11.049 -3.842 -8.661 1.00 0.00 O ATOM 0 H TYR A 139 -7.923 -9.259 -4.530 1.00 0.00 H new ATOM 0 HA TYR A 139 -9.883 -7.438 -4.049 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -9.013 -8.999 -6.220 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -10.720 -9.374 -6.092 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -12.460 -7.530 -6.373 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -8.219 -6.814 -6.765 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -12.921 -5.415 -7.643 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.663 -4.713 -8.018 1.00 0.00 H new ATOM 0 HH TYR A 139 -10.196 -3.422 -8.897 1.00 0.00 H new ATOM 899 N GLY A 140 -11.716 -8.291 -2.842 1.00 0.00 N ATOM 900 CA GLY A 140 -12.904 -8.607 -2.023 1.00 0.00 C ATOM 901 C GLY A 140 -12.766 -8.046 -0.603 1.00 0.00 C ATOM 902 O GLY A 140 -13.689 -7.454 -0.063 1.00 0.00 O ATOM 0 H GLY A 140 -11.398 -7.329 -2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -13.795 -8.193 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -13.041 -9.687 -1.978 1.00 0.00 H new ATOM 903 N GLN A 141 -11.527 -8.072 -0.107 1.00 0.00 N ATOM 904 CA GLN A 141 -11.159 -7.565 1.224 1.00 0.00 C ATOM 905 C GLN A 141 -11.163 -6.051 1.269 1.00 0.00 C ATOM 906 O GLN A 141 -10.398 -5.385 0.572 1.00 0.00 O ATOM 907 CB GLN A 141 -9.742 -8.022 1.584 1.00 0.00 C ATOM 908 CG GLN A 141 -9.527 -9.544 1.584 1.00 0.00 C ATOM 909 CD GLN A 141 -10.190 -10.213 2.798 1.00 0.00 C ATOM 910 OE1 GLN A 141 -11.397 -10.178 3.013 1.00 0.00 O ATOM 911 NE2 GLN A 141 -9.401 -10.883 3.596 1.00 0.00 N ATOM 0 H GLN A 141 -10.735 -8.452 -0.625 1.00 0.00 H new ATOM 0 HA GLN A 141 -11.896 -7.956 1.926 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -9.042 -7.572 0.880 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -9.493 -7.636 2.572 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -9.935 -9.969 0.667 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -8.459 -9.760 1.588 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -8.397 -10.911 3.416 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -9.789 -11.378 4.399 1.00 0.00 H new ATOM 912 N LYS A 142 -11.872 -5.598 2.290 1.00 0.00 N ATOM 913 CA LYS A 142 -11.912 -4.173 2.686 1.00 0.00 C ATOM 914 C LYS A 142 -10.673 -3.767 3.493 1.00 0.00 C ATOM 915 O LYS A 142 -10.645 -3.632 4.717 1.00 0.00 O ATOM 916 CB LYS A 142 -13.225 -3.861 3.381 1.00 0.00 C ATOM 917 CG LYS A 142 -14.232 -3.672 2.256 1.00 0.00 C ATOM 918 CD LYS A 142 -15.442 -2.878 2.736 1.00 0.00 C ATOM 919 CE LYS A 142 -16.250 -2.482 1.500 1.00 0.00 C ATOM 920 NZ LYS A 142 -17.511 -1.856 1.909 1.00 0.00 N ATOM 0 H LYS A 142 -12.445 -6.201 2.880 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.875 -3.556 1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -13.523 -4.673 4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -13.144 -2.963 3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -13.759 -3.153 1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -14.554 -4.645 1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -16.049 -3.477 3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -15.126 -1.993 3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -15.674 -1.792 0.884 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -16.452 -3.362 0.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -18.056 -1.589 1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -18.063 -2.528 2.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -17.310 -1.006 2.474 1.00 0.00 H new ATOM 921 N ALA A 143 -9.609 -3.936 2.738 1.00 0.00 N ATOM 922 CA ALA A 143 -8.214 -3.743 3.116 1.00 0.00 C ATOM 923 C ALA A 143 -7.419 -3.092 1.966 1.00 0.00 C ATOM 924 O ALA A 143 -6.814 -2.037 2.161 1.00 0.00 O ATOM 925 CB ALA A 143 -7.572 -5.091 3.466 1.00 0.00 C ATOM 0 H ALA A 143 -9.697 -4.235 1.767 1.00 0.00 H new ATOM 0 HA ALA A 143 -8.189 -3.084 3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.530 -4.936 3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -8.109 -5.544 4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -7.620 -5.752 2.601 1.00 0.00 H new ATOM 926 N ILE A 144 -7.623 -3.628 0.771 1.00 0.00 N ATOM 927 CA ILE A 144 -6.841 -3.296 -0.433 1.00 0.00 C ATOM 928 C ILE A 144 -7.277 -2.018 -1.175 1.00 0.00 C ATOM 929 O ILE A 144 -6.608 -1.594 -2.105 1.00 0.00 O ATOM 930 CB ILE A 144 -6.785 -4.530 -1.378 1.00 0.00 C ATOM 931 CG1 ILE A 144 -8.138 -4.872 -1.991 1.00 0.00 C ATOM 932 CG2 ILE A 144 -6.122 -5.699 -0.646 1.00 0.00 C ATOM 933 CD1 ILE A 144 -7.949 -5.705 -3.258 1.00 0.00 C ATOM 0 H ILE A 144 -8.350 -4.322 0.598 1.00 0.00 H new ATOM 0 HA ILE A 144 -5.838 -3.052 -0.082 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.166 -4.284 -2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -8.742 -5.424 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -8.680 -3.956 -2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -6.081 -6.566 -1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -5.110 -5.418 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -6.701 -5.947 0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -8.923 -5.943 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -7.363 -5.139 -3.982 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -7.426 -6.629 -3.011 1.00 0.00 H new ATOM 934 N LEU A 145 -8.233 -1.292 -0.592 1.00 0.00 N ATOM 935 CA LEU A 145 -8.943 -0.199 -1.281 1.00 0.00 C ATOM 936 C LEU A 145 -8.606 1.199 -0.763 1.00 0.00 C ATOM 937 O LEU A 145 -9.276 1.733 0.121 1.00 0.00 O ATOM 938 CB LEU A 145 -10.467 -0.398 -1.191 1.00 0.00 C ATOM 939 CG LEU A 145 -11.010 -1.678 -1.844 1.00 0.00 C ATOM 940 CD1 LEU A 145 -11.055 -2.800 -0.825 1.00 0.00 C ATOM 941 CD2 LEU A 145 -12.444 -1.433 -2.317 1.00 0.00 C ATOM 0 H LEU A 145 -8.540 -1.440 0.369 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.599 -0.252 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -10.754 -0.399 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -10.955 0.460 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 145 -10.361 -1.946 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -11.441 -3.704 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -10.050 -2.989 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -11.706 -2.515 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -12.834 -2.339 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -13.068 -1.165 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -12.454 -0.620 -3.043 1.00 0.00 H new ATOM 942 N PHE A 146 -7.487 1.741 -1.248 1.00 0.00 N ATOM 943 CA PHE A 146 -7.094 3.138 -0.933 1.00 0.00 C ATOM 944 C PHE A 146 -7.008 4.102 -2.107 1.00 0.00 C ATOM 945 O PHE A 146 -6.658 3.740 -3.219 1.00 0.00 O ATOM 946 CB PHE A 146 -5.806 3.214 -0.085 1.00 0.00 C ATOM 947 CG PHE A 146 -4.919 1.973 -0.141 1.00 0.00 C ATOM 948 CD1 PHE A 146 -4.228 1.674 -1.342 1.00 0.00 C ATOM 949 CD2 PHE A 146 -5.095 1.001 0.871 1.00 0.00 C ATOM 950 CE1 PHE A 146 -3.743 0.362 -1.539 1.00 0.00 C ATOM 951 CE2 PHE A 146 -4.610 -0.297 0.668 1.00 0.00 C ATOM 952 CZ PHE A 146 -3.953 -0.608 -0.541 1.00 0.00 C ATOM 0 H PHE A 146 -6.834 1.248 -1.857 1.00 0.00 H new ATOM 0 HA PHE A 146 -7.942 3.487 -0.344 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -5.223 4.074 -0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -6.083 3.397 0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.075 2.435 -2.093 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -5.599 1.257 1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -3.216 0.106 -2.446 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -4.738 -1.052 1.429 1.00 0.00 H new ATOM 0 HZ PHE A 146 -3.602 -1.616 -0.705 1.00 0.00 H new ATOM 953 N LEU A 147 -7.349 5.348 -1.791 1.00 0.00 N ATOM 954 CA LEU A 147 -7.429 6.419 -2.794 1.00 0.00 C ATOM 955 C LEU A 147 -6.367 7.528 -2.699 1.00 0.00 C ATOM 956 O LEU A 147 -6.460 8.397 -1.833 1.00 0.00 O ATOM 957 CB LEU A 147 -8.844 7.027 -2.914 1.00 0.00 C ATOM 958 CG LEU A 147 -9.807 6.847 -1.727 1.00 0.00 C ATOM 959 CD1 LEU A 147 -9.285 7.509 -0.460 1.00 0.00 C ATOM 960 CD2 LEU A 147 -11.161 7.461 -2.095 1.00 0.00 C ATOM 0 H LEU A 147 -7.577 5.648 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 147 -7.192 5.886 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -8.734 8.096 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -9.318 6.599 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 147 -9.902 5.780 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -9.997 7.356 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.326 7.069 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.157 8.577 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -11.854 7.340 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -11.033 8.522 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -11.561 6.958 -2.975 1.00 0.00 H new ATOM 961 N PRO A 148 -5.345 7.471 -3.562 1.00 0.00 N ATOM 962 CA PRO A 148 -4.383 8.577 -3.748 1.00 0.00 C ATOM 963 C PRO A 148 -5.086 9.672 -4.558 1.00 0.00 C ATOM 964 O PRO A 148 -5.441 9.488 -5.715 1.00 0.00 O ATOM 965 CB PRO A 148 -3.189 7.945 -4.467 1.00 0.00 C ATOM 966 CG PRO A 148 -3.773 6.749 -5.220 1.00 0.00 C ATOM 967 CD PRO A 148 -4.939 6.286 -4.355 1.00 0.00 C ATOM 0 HA PRO A 148 -4.036 9.048 -2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -2.720 8.652 -5.151 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -2.422 7.630 -3.759 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.107 7.033 -6.218 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.033 5.959 -5.345 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -5.764 5.925 -4.970 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -4.642 5.463 -3.705 1.00 0.00 H new ATOM 968 N LEU A 149 -5.495 10.701 -3.825 1.00 0.00 N ATOM 969 CA LEU A 149 -6.349 11.761 -4.399 1.00 0.00 C ATOM 970 C LEU A 149 -5.586 12.901 -5.090 1.00 0.00 C ATOM 971 O LEU A 149 -4.836 13.624 -4.442 1.00 0.00 O ATOM 972 CB LEU A 149 -7.322 12.296 -3.334 1.00 0.00 C ATOM 973 CG LEU A 149 -8.253 11.187 -2.836 1.00 0.00 C ATOM 974 CD1 LEU A 149 -8.984 11.653 -1.583 1.00 0.00 C ATOM 975 CD2 LEU A 149 -9.253 10.728 -3.908 1.00 0.00 C ATOM 0 H LEU A 149 -5.258 10.833 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 149 -6.912 11.287 -5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -6.759 12.707 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -7.912 13.111 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.634 10.322 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -9.645 10.861 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -8.258 11.891 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -9.572 12.541 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -9.888 9.941 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -9.872 11.572 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -8.710 10.345 -4.772 1.00 0.00 H new ATOM 976 N PRO A 150 -5.790 13.057 -6.408 1.00 0.00 N ATOM 977 CA PRO A 150 -5.286 14.218 -7.165 1.00 0.00 C ATOM 978 C PRO A 150 -6.044 15.467 -6.733 1.00 0.00 C ATOM 979 O PRO A 150 -7.270 15.475 -6.661 1.00 0.00 O ATOM 980 CB PRO A 150 -5.504 13.868 -8.640 1.00 0.00 C ATOM 981 CG PRO A 150 -6.673 12.893 -8.618 1.00 0.00 C ATOM 982 CD PRO A 150 -6.487 12.109 -7.318 1.00 0.00 C ATOM 0 HA PRO A 150 -4.232 14.429 -6.986 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -5.735 14.755 -9.231 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -4.615 13.415 -9.079 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -7.629 13.417 -8.633 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -6.657 12.234 -9.486 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -7.445 11.793 -6.904 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -5.897 11.207 -7.479 1.00 0.00 H new ATOM 983 N VAL A 151 -5.242 16.342 -6.128 1.00 0.00 N ATOM 984 CA VAL A 151 -5.621 17.679 -5.611 1.00 0.00 C ATOM 985 C VAL A 151 -6.883 17.626 -4.719 1.00 0.00 C ATOM 986 O VAL A 151 -6.823 17.153 -3.590 1.00 0.00 O ATOM 987 CB VAL A 151 -5.699 18.705 -6.765 1.00 0.00 C ATOM 988 CG1 VAL A 151 -5.947 20.127 -6.253 1.00 0.00 C ATOM 989 CG2 VAL A 151 -4.391 18.734 -7.578 1.00 0.00 C ATOM 0 H VAL A 151 -4.255 16.137 -5.971 1.00 0.00 H new ATOM 0 HA VAL A 151 -4.834 18.030 -4.943 1.00 0.00 H new ATOM 0 HB VAL A 151 -6.533 18.384 -7.390 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -5.995 20.815 -7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -6.890 20.158 -5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -5.134 20.422 -5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -4.478 19.465 -8.382 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -3.563 19.009 -6.925 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -4.205 17.748 -8.003 1.00 0.00 H new ATOM 990 N SER A 152 -8.036 17.983 -5.285 1.00 0.00 N ATOM 991 CA SER A 152 -9.300 18.006 -4.541 1.00 0.00 C ATOM 992 C SER A 152 -10.191 16.868 -5.055 1.00 0.00 C ATOM 993 O SER A 152 -11.078 17.056 -5.892 1.00 0.00 O ATOM 994 CB SER A 152 -9.959 19.387 -4.685 1.00 0.00 C ATOM 995 OG SER A 152 -10.194 19.659 -6.075 1.00 0.00 O ATOM 0 H SER A 152 -8.123 18.262 -6.262 1.00 0.00 H new ATOM 0 HA SER A 152 -9.132 17.846 -3.476 1.00 0.00 H new ATOM 0 HB2 SER A 152 -10.899 19.413 -4.134 1.00 0.00 H new ATOM 0 HB3 SER A 152 -9.316 20.156 -4.256 1.00 0.00 H new ATOM 0 HG SER A 152 -10.692 18.916 -6.474 1.00 0.00 H new ATOM 996 N SER A 153 -9.729 15.660 -4.694 1.00 0.00 N ATOM 997 CA SER A 153 -10.375 14.350 -4.951 1.00 0.00 C ATOM 998 C SER A 153 -10.423 13.883 -6.415 1.00 0.00 C ATOM 999 O SER A 153 -10.071 12.747 -6.697 1.00 0.00 O ATOM 1000 CB SER A 153 -11.763 14.292 -4.280 1.00 0.00 C ATOM 1001 OG SER A 153 -12.499 13.119 -4.671 1.00 0.00 O ATOM 0 H SER A 153 -8.849 15.559 -4.188 1.00 0.00 H new ATOM 0 HA SER A 153 -9.709 13.621 -4.489 1.00 0.00 H new ATOM 0 HB2 SER A 153 -11.643 14.301 -3.197 1.00 0.00 H new ATOM 0 HB3 SER A 153 -12.332 15.183 -4.545 1.00 0.00 H new ATOM 0 HG SER A 153 -13.372 13.117 -4.225 1.00 0.00 H new ATOM 1002 N ASP A 154 -10.981 14.721 -7.287 1.00 0.00 N ATOM 1003 CA ASP A 154 -11.129 14.536 -8.749 1.00 0.00 C ATOM 1004 C ASP A 154 -10.660 13.197 -9.388 1.00 0.00 C ATOM 1005 O ASP A 154 -9.544 13.162 -9.936 1.00 0.00 O ATOM 1006 CB ASP A 154 -10.584 15.780 -9.486 1.00 0.00 C ATOM 1007 CG ASP A 154 -9.198 16.245 -9.036 1.00 0.00 C ATOM 1008 OD1 ASP A 154 -9.155 17.030 -8.060 1.00 0.00 O ATOM 1009 OD2 ASP A 154 -8.217 15.901 -9.728 1.00 0.00 O ATOM 1010 OXT ASP A 154 -11.525 12.290 -9.436 1.00 0.00 O ATOM 0 H ASP A 154 -11.372 15.612 -6.980 1.00 0.00 H new ATOM 0 HA ASP A 154 -12.205 14.437 -8.891 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -10.549 15.564 -10.554 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -11.288 16.601 -9.350 1.00 0.00 H new TER 1011 ASP A 154