USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 883 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 58 CYS SG : rot 89:sc= -0.475 USER MOD Set 1.2: A 74 SER OG : rot 115:sc= -0.471 USER MOD Set 2.1: A 42 SER OG : rot -90:sc= 0.91 USER MOD Set 2.2: A 43 HIS : no HD1:sc= -0.77 K(o=0.14,f=-1.3) USER MOD Set 3.1: A 15 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.0257 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.101 USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 10 SER OG : rot 90:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.289) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -133:sc= -0.0033 (180deg=-1.69!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 32 CYS SG : rot 16:sc= -1.39 USER MOD Single : A 33 SER OG : rot -30:sc= 0.0902 USER MOD Single : A 35 LYS NZ :NH3+ -118:sc=-0.00288 (180deg=-1.01) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -25:sc= 0.796 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.59) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -3.91! C(o=-3.9!,f=-19!) USER MOD Single : A 57 THR OG1 : rot -36:sc= 0.187 USER MOD Single : A 59 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.4) USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= -0.0027 (180deg=-0.138) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 155:sc= -0.458 (180deg=-1.77!) USER MOD Single : A 68 LYS NZ :NH3+ 143:sc= -0.722 (180deg=-2.5!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc=-0.00767 X(o=-0.0077,f=-0.11) USER MOD Single : A 76 ASN : amide:sc= -0.282 K(o=-0.28,f=-4.3!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 82 GLN : amide:sc= 0.901 K(o=0.9,f=-0.15) USER MOD Single : A 87 GLN : amide:sc= -0.0142 K(o=-0.014,f=-1.3) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.0482 USER MOD Single : A 94 SER OG : rot 92:sc= 0.0262 USER MOD Single : A 97 THR OG1 : rot 103:sc= 1.26 USER MOD Single : A 98 ASN : amide:sc= -4.05! C(o=-4.1!,f=-5!) USER MOD Single : A 99 SER OG : rot 99:sc= -0.272 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot -32:sc= 0.195 USER MOD Single : A 106 MET CE :methyl -136:sc= -0.276 (180deg=-1.14) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.492 -9.824 -11.527 1.00 0.00 N ATOM 2 CA GLY A 1 -21.017 -8.705 -10.735 1.00 0.00 C ATOM 3 C GLY A 1 -22.120 -7.720 -10.401 1.00 0.00 C ATOM 4 O GLY A 1 -23.064 -7.550 -11.173 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.740 -10.136 -12.174 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.754 -10.609 -10.897 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.323 -9.531 -12.079 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.577 -9.079 -9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.226 -8.189 -11.279 1.00 0.00 H new ATOM 8 N SER A 2 -22.003 -7.071 -9.247 1.00 0.00 N ATOM 9 CA SER A 2 -23.001 -6.102 -8.811 1.00 0.00 C ATOM 10 C SER A 2 -22.371 -5.039 -7.916 1.00 0.00 C ATOM 11 O SER A 2 -21.403 -5.305 -7.204 1.00 0.00 O ATOM 12 CB SER A 2 -24.135 -6.807 -8.063 1.00 0.00 C ATOM 13 OG SER A 2 -23.744 -7.144 -6.744 1.00 0.00 O ATOM 0 H SER A 2 -21.227 -7.199 -8.597 1.00 0.00 H new ATOM 0 HA SER A 2 -23.408 -5.613 -9.696 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.012 -6.160 -8.032 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.424 -7.709 -8.602 1.00 0.00 H new ATOM 0 HG SER A 2 -24.486 -7.592 -6.287 1.00 0.00 H new ATOM 19 N SER A 3 -22.929 -3.833 -7.958 1.00 0.00 N ATOM 20 CA SER A 3 -22.420 -2.727 -7.154 1.00 0.00 C ATOM 21 C SER A 3 -22.544 -3.036 -5.665 1.00 0.00 C ATOM 22 O SER A 3 -23.562 -3.557 -5.211 1.00 0.00 O ATOM 23 CB SER A 3 -23.177 -1.439 -7.485 1.00 0.00 C ATOM 24 OG SER A 3 -22.691 -0.351 -6.718 1.00 0.00 O ATOM 0 H SER A 3 -23.733 -3.597 -8.540 1.00 0.00 H new ATOM 0 HA SER A 3 -21.365 -2.591 -7.392 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.073 -1.215 -8.547 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.241 -1.578 -7.291 1.00 0.00 H new ATOM 0 HG SER A 3 -23.189 0.461 -6.949 1.00 0.00 H new ATOM 30 N GLY A 4 -21.499 -2.709 -4.911 1.00 0.00 N ATOM 31 CA GLY A 4 -21.510 -2.958 -3.481 1.00 0.00 C ATOM 32 C GLY A 4 -20.196 -2.593 -2.819 1.00 0.00 C ATOM 33 O GLY A 4 -19.171 -3.229 -3.065 1.00 0.00 O ATOM 0 H GLY A 4 -20.646 -2.276 -5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.316 -2.386 -3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.724 -4.011 -3.300 1.00 0.00 H new ATOM 37 N SER A 5 -20.226 -1.565 -1.978 1.00 0.00 N ATOM 38 CA SER A 5 -19.027 -1.112 -1.282 1.00 0.00 C ATOM 39 C SER A 5 -18.337 -2.274 -0.575 1.00 0.00 C ATOM 40 O SER A 5 -18.937 -2.951 0.261 1.00 0.00 O ATOM 41 CB SER A 5 -19.380 -0.021 -0.269 1.00 0.00 C ATOM 42 OG SER A 5 -19.458 1.249 -0.893 1.00 0.00 O ATOM 0 H SER A 5 -21.067 -1.030 -1.762 1.00 0.00 H new ATOM 0 HA SER A 5 -18.341 -0.701 -2.023 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.333 -0.256 0.205 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.629 0.004 0.520 1.00 0.00 H new ATOM 0 HG SER A 5 -19.687 1.928 -0.225 1.00 0.00 H new ATOM 48 N SER A 6 -17.073 -2.500 -0.916 1.00 0.00 N ATOM 49 CA SER A 6 -16.301 -3.583 -0.317 1.00 0.00 C ATOM 50 C SER A 6 -16.398 -3.542 1.205 1.00 0.00 C ATOM 51 O SER A 6 -16.881 -4.484 1.833 1.00 0.00 O ATOM 52 CB SER A 6 -14.836 -3.493 -0.749 1.00 0.00 C ATOM 53 OG SER A 6 -14.294 -2.217 -0.452 1.00 0.00 O ATOM 0 H SER A 6 -16.561 -1.948 -1.604 1.00 0.00 H new ATOM 0 HA SER A 6 -16.717 -4.528 -0.665 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.256 -4.265 -0.243 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.757 -3.685 -1.819 1.00 0.00 H new ATOM 0 HG SER A 6 -13.357 -2.186 -0.736 1.00 0.00 H new ATOM 59 N GLY A 7 -15.935 -2.443 1.792 1.00 0.00 N ATOM 60 CA GLY A 7 -15.978 -2.299 3.235 1.00 0.00 C ATOM 61 C GLY A 7 -15.133 -3.337 3.947 1.00 0.00 C ATOM 62 O GLY A 7 -15.657 -4.174 4.683 1.00 0.00 O ATOM 0 H GLY A 7 -15.531 -1.650 1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.630 -1.303 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.011 -2.381 3.575 1.00 0.00 H new ATOM 66 N TYR A 8 -13.825 -3.285 3.727 1.00 0.00 N ATOM 67 CA TYR A 8 -12.907 -4.231 4.350 1.00 0.00 C ATOM 68 C TYR A 8 -12.019 -3.534 5.376 1.00 0.00 C ATOM 69 O TYR A 8 -11.844 -4.018 6.494 1.00 0.00 O ATOM 70 CB TYR A 8 -12.041 -4.909 3.287 1.00 0.00 C ATOM 71 CG TYR A 8 -12.764 -5.989 2.514 1.00 0.00 C ATOM 72 CD1 TYR A 8 -13.903 -5.696 1.774 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.309 -7.301 2.525 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.567 -6.680 1.067 1.00 0.00 C ATOM 75 CE2 TYR A 8 -12.966 -8.291 1.820 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.095 -7.976 1.093 1.00 0.00 C ATOM 77 OH TYR A 8 -14.754 -8.958 0.390 1.00 0.00 O ATOM 0 H TYR A 8 -13.376 -2.598 3.122 1.00 0.00 H new ATOM 0 HA TYR A 8 -13.500 -4.988 4.864 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.680 -4.154 2.589 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.164 -5.343 3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.275 -4.682 1.751 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.426 -7.552 3.095 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.451 -6.436 0.497 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.598 -9.306 1.838 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.184 -8.564 -0.398 1.00 0.00 H new ATOM 87 N GLY A 9 -11.460 -2.391 4.987 1.00 0.00 N ATOM 88 CA GLY A 9 -10.598 -1.644 5.884 1.00 0.00 C ATOM 89 C GLY A 9 -9.189 -1.496 5.343 1.00 0.00 C ATOM 90 O GLY A 9 -8.714 -2.345 4.590 1.00 0.00 O ATOM 0 H GLY A 9 -11.589 -1.970 4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.025 -0.655 6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.562 -2.146 6.851 1.00 0.00 H new ATOM 94 N SER A 10 -8.521 -0.413 5.727 1.00 0.00 N ATOM 95 CA SER A 10 -7.160 -0.154 5.272 1.00 0.00 C ATOM 96 C SER A 10 -6.141 -0.786 6.215 1.00 0.00 C ATOM 97 O SER A 10 -4.986 -0.365 6.271 1.00 0.00 O ATOM 98 CB SER A 10 -6.912 1.353 5.171 1.00 0.00 C ATOM 99 OG SER A 10 -7.587 1.907 4.055 1.00 0.00 O ATOM 0 H SER A 10 -8.900 0.299 6.352 1.00 0.00 H new ATOM 0 HA SER A 10 -7.042 -0.602 4.285 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.250 1.842 6.084 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.842 1.544 5.085 1.00 0.00 H new ATOM 0 HG SER A 10 -8.486 2.191 4.324 1.00 0.00 H new ATOM 105 N GLU A 11 -6.580 -1.800 6.956 1.00 0.00 N ATOM 106 CA GLU A 11 -5.706 -2.490 7.897 1.00 0.00 C ATOM 107 C GLU A 11 -6.091 -3.962 8.018 1.00 0.00 C ATOM 108 O GLU A 11 -7.266 -4.299 8.166 1.00 0.00 O ATOM 109 CB GLU A 11 -5.771 -1.821 9.272 1.00 0.00 C ATOM 110 CG GLU A 11 -5.169 -0.426 9.298 1.00 0.00 C ATOM 111 CD GLU A 11 -6.178 0.651 8.951 1.00 0.00 C ATOM 112 OE1 GLU A 11 -7.387 0.422 9.164 1.00 0.00 O ATOM 113 OE2 GLU A 11 -5.759 1.723 8.466 1.00 0.00 O ATOM 0 H GLU A 11 -7.534 -2.161 6.922 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.686 -2.428 7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.812 -1.765 9.591 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.249 -2.447 9.996 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.760 -0.229 10.289 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.338 -0.380 8.595 1.00 0.00 H new ATOM 120 N LYS A 12 -5.093 -4.836 7.952 1.00 0.00 N ATOM 121 CA LYS A 12 -5.324 -6.272 8.054 1.00 0.00 C ATOM 122 C LYS A 12 -4.041 -7.004 8.434 1.00 0.00 C ATOM 123 O LYS A 12 -3.007 -6.844 7.785 1.00 0.00 O ATOM 124 CB LYS A 12 -5.862 -6.818 6.730 1.00 0.00 C ATOM 125 CG LYS A 12 -6.168 -8.305 6.765 1.00 0.00 C ATOM 126 CD LYS A 12 -6.462 -8.847 5.376 1.00 0.00 C ATOM 127 CE LYS A 12 -6.561 -10.365 5.379 1.00 0.00 C ATOM 128 NZ LYS A 12 -7.924 -10.831 5.758 1.00 0.00 N ATOM 0 H LYS A 12 -4.115 -4.575 7.828 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.063 -6.441 8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.769 -6.275 6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.133 -6.624 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.322 -8.841 7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.023 -8.486 7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.396 -8.421 5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.676 -8.534 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.308 -10.747 4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.830 -10.775 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.853 -11.512 6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.498 -10.017 6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.374 -11.289 4.940 1.00 0.00 H new ATOM 142 N LYS A 13 -4.114 -7.809 9.488 1.00 0.00 N ATOM 143 CA LYS A 13 -2.960 -8.569 9.953 1.00 0.00 C ATOM 144 C LYS A 13 -3.228 -10.069 9.876 1.00 0.00 C ATOM 145 O LYS A 13 -4.191 -10.567 10.458 1.00 0.00 O ATOM 146 CB LYS A 13 -2.610 -8.176 11.391 1.00 0.00 C ATOM 147 CG LYS A 13 -1.700 -9.171 12.089 1.00 0.00 C ATOM 148 CD LYS A 13 -1.145 -8.606 13.386 1.00 0.00 C ATOM 149 CE LYS A 13 -2.109 -8.818 14.543 1.00 0.00 C ATOM 150 NZ LYS A 13 -1.930 -10.154 15.176 1.00 0.00 N ATOM 0 H LYS A 13 -4.962 -7.952 10.037 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.117 -8.335 9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.128 -7.198 11.384 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.531 -8.074 11.965 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.253 -10.087 12.297 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.877 -9.439 11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.191 -9.083 13.613 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.948 -7.541 13.265 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.957 -8.039 15.290 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.134 -8.720 14.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.605 -10.260 15.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.100 -10.898 14.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.960 -10.238 15.541 1.00 0.00 H new ATOM 164 N GLY A 14 -2.370 -10.783 9.155 1.00 0.00 N ATOM 165 CA GLY A 14 -2.531 -12.218 9.016 1.00 0.00 C ATOM 166 C GLY A 14 -1.289 -12.892 8.469 1.00 0.00 C ATOM 167 O GLY A 14 -0.174 -12.597 8.900 1.00 0.00 O ATOM 0 H GLY A 14 -1.565 -10.393 8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.776 -12.648 9.987 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.373 -12.423 8.355 1.00 0.00 H new ATOM 171 N TYR A 15 -1.480 -13.799 7.518 1.00 0.00 N ATOM 172 CA TYR A 15 -0.365 -14.520 6.914 1.00 0.00 C ATOM 173 C TYR A 15 -0.512 -14.578 5.397 1.00 0.00 C ATOM 174 O TYR A 15 -1.625 -14.625 4.870 1.00 0.00 O ATOM 175 CB TYR A 15 -0.278 -15.937 7.484 1.00 0.00 C ATOM 176 CG TYR A 15 0.368 -16.001 8.850 1.00 0.00 C ATOM 177 CD1 TYR A 15 -0.247 -15.430 9.957 1.00 0.00 C ATOM 178 CD2 TYR A 15 1.592 -16.633 9.032 1.00 0.00 C ATOM 179 CE1 TYR A 15 0.340 -15.486 11.207 1.00 0.00 C ATOM 180 CE2 TYR A 15 2.184 -16.695 10.279 1.00 0.00 C ATOM 181 CZ TYR A 15 1.555 -16.120 11.363 1.00 0.00 C ATOM 182 OH TYR A 15 2.142 -16.178 12.606 1.00 0.00 O ATOM 0 H TYR A 15 -2.396 -14.053 7.148 1.00 0.00 H new ATOM 0 HA TYR A 15 0.553 -13.983 7.152 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.282 -16.357 7.546 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.288 -16.563 6.794 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.199 -14.934 9.839 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.089 -17.083 8.185 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.150 -15.036 12.057 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.135 -17.192 10.404 1.00 0.00 H new ATOM 0 HH TYR A 15 2.993 -16.660 12.544 1.00 0.00 H new ATOM 192 N LEU A 16 0.618 -14.575 4.699 1.00 0.00 N ATOM 193 CA LEU A 16 0.617 -14.628 3.241 1.00 0.00 C ATOM 194 C LEU A 16 1.798 -15.445 2.725 1.00 0.00 C ATOM 195 O LEU A 16 2.812 -15.591 3.410 1.00 0.00 O ATOM 196 CB LEU A 16 0.669 -13.214 2.660 1.00 0.00 C ATOM 197 CG LEU A 16 -0.682 -12.541 2.411 1.00 0.00 C ATOM 198 CD1 LEU A 16 -0.489 -11.079 2.039 1.00 0.00 C ATOM 199 CD2 LEU A 16 -1.451 -13.274 1.322 1.00 0.00 C ATOM 0 H LEU A 16 1.547 -14.536 5.119 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.305 -15.113 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.246 -12.585 3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.214 -13.250 1.717 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.264 -12.587 3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.461 -10.616 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.020 -10.561 2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.112 -11.011 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.409 -12.781 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.874 -13.261 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.621 -14.306 1.629 1.00 0.00 H new ATOM 211 N LEU A 17 1.660 -15.974 1.515 1.00 0.00 N ATOM 212 CA LEU A 17 2.716 -16.775 0.905 1.00 0.00 C ATOM 213 C LEU A 17 3.667 -15.898 0.097 1.00 0.00 C ATOM 214 O LEU A 17 3.235 -15.077 -0.713 1.00 0.00 O ATOM 215 CB LEU A 17 2.111 -17.854 0.006 1.00 0.00 C ATOM 216 CG LEU A 17 1.292 -18.935 0.713 1.00 0.00 C ATOM 217 CD1 LEU A 17 0.538 -19.782 -0.300 1.00 0.00 C ATOM 218 CD2 LEU A 17 2.193 -19.808 1.575 1.00 0.00 C ATOM 0 H LEU A 17 0.827 -15.863 0.936 1.00 0.00 H new ATOM 0 HA LEU A 17 3.283 -17.253 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.473 -17.368 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.920 -18.339 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 17 0.564 -18.447 1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.039 -20.546 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.136 -19.147 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.248 -20.261 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.594 -20.572 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.944 -20.287 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.687 -19.191 2.325 1.00 0.00 H new ATOM 230 N LYS A 18 4.964 -16.078 0.320 1.00 0.00 N ATOM 231 CA LYS A 18 5.978 -15.307 -0.390 1.00 0.00 C ATOM 232 C LYS A 18 6.905 -16.224 -1.181 1.00 0.00 C ATOM 233 O LYS A 18 7.322 -17.274 -0.692 1.00 0.00 O ATOM 234 CB LYS A 18 6.794 -14.468 0.597 1.00 0.00 C ATOM 235 CG LYS A 18 7.581 -13.349 -0.062 1.00 0.00 C ATOM 236 CD LYS A 18 8.275 -12.474 0.969 1.00 0.00 C ATOM 237 CE LYS A 18 9.056 -11.348 0.309 1.00 0.00 C ATOM 238 NZ LYS A 18 9.813 -10.540 1.304 1.00 0.00 N ATOM 0 H LYS A 18 5.339 -16.752 0.988 1.00 0.00 H new ATOM 0 HA LYS A 18 5.470 -14.643 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.121 -14.039 1.340 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.484 -15.120 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.323 -13.774 -0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.911 -12.738 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.534 -12.054 1.649 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.950 -13.083 1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.749 -11.766 -0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.369 -10.701 -0.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.658 -9.528 1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.483 -10.771 2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.828 -10.755 1.226 1.00 0.00 H new ATOM 252 N LYS A 19 7.224 -15.821 -2.406 1.00 0.00 N ATOM 253 CA LYS A 19 8.104 -16.604 -3.265 1.00 0.00 C ATOM 254 C LYS A 19 9.546 -16.119 -3.154 1.00 0.00 C ATOM 255 O LYS A 19 9.855 -14.978 -3.498 1.00 0.00 O ATOM 256 CB LYS A 19 7.637 -16.520 -4.720 1.00 0.00 C ATOM 257 CG LYS A 19 8.186 -17.630 -5.600 1.00 0.00 C ATOM 258 CD LYS A 19 8.074 -17.280 -7.074 1.00 0.00 C ATOM 259 CE LYS A 19 6.631 -17.019 -7.477 1.00 0.00 C ATOM 260 NZ LYS A 19 6.507 -16.708 -8.928 1.00 0.00 N ATOM 0 H LYS A 19 6.886 -14.956 -2.827 1.00 0.00 H new ATOM 0 HA LYS A 19 8.062 -17.642 -2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.548 -16.553 -4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.937 -15.557 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.230 -17.813 -5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.643 -18.554 -5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.677 -16.397 -7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.479 -18.095 -7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.024 -17.893 -7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.235 -16.188 -6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.508 -16.536 -9.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.065 -15.859 -9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.861 -17.511 -9.487 1.00 0.00 H new ATOM 274 N SER A 20 10.424 -16.993 -2.673 1.00 0.00 N ATOM 275 CA SER A 20 11.833 -16.653 -2.515 1.00 0.00 C ATOM 276 C SER A 20 12.477 -16.363 -3.867 1.00 0.00 C ATOM 277 O SER A 20 12.283 -17.104 -4.831 1.00 0.00 O ATOM 278 CB SER A 20 12.579 -17.791 -1.816 1.00 0.00 C ATOM 279 OG SER A 20 12.247 -17.849 -0.440 1.00 0.00 O ATOM 0 H SER A 20 10.184 -17.942 -2.386 1.00 0.00 H new ATOM 0 HA SER A 20 11.898 -15.755 -1.901 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.332 -18.739 -2.293 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.654 -17.648 -1.928 1.00 0.00 H new ATOM 0 HG SER A 20 12.735 -18.585 -0.016 1.00 0.00 H new ATOM 285 N ASP A 21 13.244 -15.280 -3.930 1.00 0.00 N ATOM 286 CA ASP A 21 13.918 -14.890 -5.163 1.00 0.00 C ATOM 287 C ASP A 21 15.428 -15.065 -5.035 1.00 0.00 C ATOM 288 O ASP A 21 16.067 -14.431 -4.196 1.00 0.00 O ATOM 289 CB ASP A 21 13.587 -13.439 -5.514 1.00 0.00 C ATOM 290 CG ASP A 21 14.159 -13.023 -6.855 1.00 0.00 C ATOM 291 OD1 ASP A 21 15.266 -13.488 -7.198 1.00 0.00 O ATOM 292 OD2 ASP A 21 13.498 -12.233 -7.562 1.00 0.00 O ATOM 0 H ASP A 21 13.415 -14.656 -3.141 1.00 0.00 H new ATOM 0 HA ASP A 21 13.562 -15.538 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.505 -13.309 -5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.977 -12.782 -4.736 1.00 0.00 H new ATOM 297 N GLY A 22 15.992 -15.929 -5.873 1.00 0.00 N ATOM 298 CA GLY A 22 17.422 -16.173 -5.836 1.00 0.00 C ATOM 299 C GLY A 22 17.830 -17.363 -6.681 1.00 0.00 C ATOM 300 O GLY A 22 18.055 -17.230 -7.885 1.00 0.00 O ATOM 0 H GLY A 22 15.484 -16.464 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.948 -15.285 -6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.732 -16.341 -4.805 1.00 0.00 H new ATOM 304 N ILE A 23 17.927 -18.529 -6.051 1.00 0.00 N ATOM 305 CA ILE A 23 18.311 -19.747 -6.753 1.00 0.00 C ATOM 306 C ILE A 23 17.087 -20.573 -7.132 1.00 0.00 C ATOM 307 O ILE A 23 16.851 -20.850 -8.308 1.00 0.00 O ATOM 308 CB ILE A 23 19.258 -20.613 -5.901 1.00 0.00 C ATOM 309 CG1 ILE A 23 20.516 -19.823 -5.534 1.00 0.00 C ATOM 310 CG2 ILE A 23 19.624 -21.887 -6.647 1.00 0.00 C ATOM 311 CD1 ILE A 23 20.372 -19.013 -4.265 1.00 0.00 C ATOM 0 H ILE A 23 17.745 -18.656 -5.055 1.00 0.00 H new ATOM 0 HA ILE A 23 18.832 -19.438 -7.659 1.00 0.00 H new ATOM 0 HB ILE A 23 18.745 -20.889 -4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 23 21.350 -20.516 -5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 23 20.767 -19.153 -6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 23 20.294 -22.489 -6.033 1.00 0.00 H new ATOM 0 HG22 ILE A 23 18.719 -22.456 -6.862 1.00 0.00 H new ATOM 0 HG23 ILE A 23 20.122 -21.631 -7.582 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.301 -18.479 -4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 23 19.559 -18.296 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 23 20.151 -19.679 -3.431 1.00 0.00 H new ATOM 323 N ARG A 24 16.309 -20.962 -6.127 1.00 0.00 N ATOM 324 CA ARG A 24 15.107 -21.755 -6.354 1.00 0.00 C ATOM 325 C ARG A 24 13.853 -20.952 -6.019 1.00 0.00 C ATOM 326 O ARG A 24 13.757 -20.347 -4.952 1.00 0.00 O ATOM 327 CB ARG A 24 15.147 -23.032 -5.513 1.00 0.00 C ATOM 328 CG ARG A 24 15.846 -22.858 -4.174 1.00 0.00 C ATOM 329 CD ARG A 24 15.907 -24.168 -3.404 1.00 0.00 C ATOM 330 NE ARG A 24 16.902 -24.128 -2.335 1.00 0.00 N ATOM 331 CZ ARG A 24 18.211 -24.204 -2.547 1.00 0.00 C ATOM 332 NH1 ARG A 24 18.681 -24.323 -3.781 1.00 0.00 N ATOM 333 NH2 ARG A 24 19.054 -24.160 -1.523 1.00 0.00 N ATOM 0 H ARG A 24 16.490 -20.741 -5.148 1.00 0.00 H new ATOM 0 HA ARG A 24 15.074 -22.023 -7.410 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.127 -23.374 -5.339 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.654 -23.814 -6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.856 -22.482 -4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.319 -22.110 -3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.927 -24.385 -2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 24 16.144 -24.981 -4.090 1.00 0.00 H new ATOM 0 HE ARG A 24 16.574 -24.037 -1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.037 -24.356 -4.571 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.687 -24.381 -3.940 1.00 0.00 H new ATOM 0 HH21 ARG A 24 18.697 -24.068 -0.572 1.00 0.00 H new ATOM 0 HH22 ARG A 24 20.059 -24.218 -1.687 1.00 0.00 H new ATOM 347 N LYS A 25 12.895 -20.951 -6.939 1.00 0.00 N ATOM 348 CA LYS A 25 11.647 -20.223 -6.743 1.00 0.00 C ATOM 349 C LYS A 25 10.568 -21.138 -6.171 1.00 0.00 C ATOM 350 O LYS A 25 10.018 -21.983 -6.876 1.00 0.00 O ATOM 351 CB LYS A 25 11.170 -19.621 -8.067 1.00 0.00 C ATOM 352 CG LYS A 25 11.951 -18.390 -8.492 1.00 0.00 C ATOM 353 CD LYS A 25 11.395 -17.792 -9.773 1.00 0.00 C ATOM 354 CE LYS A 25 11.767 -18.630 -10.987 1.00 0.00 C ATOM 355 NZ LYS A 25 13.125 -18.295 -11.497 1.00 0.00 N ATOM 0 H LYS A 25 12.959 -21.446 -7.828 1.00 0.00 H new ATOM 0 HA LYS A 25 11.833 -19.419 -6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.246 -20.377 -8.849 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.116 -19.359 -7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.918 -17.645 -7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.998 -18.655 -8.638 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.310 -17.717 -9.700 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.777 -16.779 -9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.728 -19.687 -10.724 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.033 -18.471 -11.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.341 -18.887 -12.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.155 -17.292 -11.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.829 -18.471 -10.752 1.00 0.00 H new ATOM 369 N VAL A 26 10.270 -20.962 -4.887 1.00 0.00 N ATOM 370 CA VAL A 26 9.255 -21.769 -4.221 1.00 0.00 C ATOM 371 C VAL A 26 8.451 -20.934 -3.231 1.00 0.00 C ATOM 372 O VAL A 26 8.992 -20.051 -2.565 1.00 0.00 O ATOM 373 CB VAL A 26 9.886 -22.961 -3.476 1.00 0.00 C ATOM 374 CG1 VAL A 26 10.427 -23.982 -4.465 1.00 0.00 C ATOM 375 CG2 VAL A 26 10.983 -22.482 -2.538 1.00 0.00 C ATOM 0 H VAL A 26 10.717 -20.268 -4.288 1.00 0.00 H new ATOM 0 HA VAL A 26 8.590 -22.146 -4.998 1.00 0.00 H new ATOM 0 HB VAL A 26 9.113 -23.444 -2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.869 -24.817 -3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.614 -24.347 -5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.187 -23.515 -5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.418 -23.337 -2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.757 -21.974 -3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.561 -21.791 -1.808 1.00 0.00 H new ATOM 385 N TRP A 27 7.157 -21.218 -3.140 1.00 0.00 N ATOM 386 CA TRP A 27 6.277 -20.493 -2.230 1.00 0.00 C ATOM 387 C TRP A 27 6.458 -20.978 -0.796 1.00 0.00 C ATOM 388 O TRP A 27 6.530 -22.180 -0.543 1.00 0.00 O ATOM 389 CB TRP A 27 4.818 -20.659 -2.658 1.00 0.00 C ATOM 390 CG TRP A 27 4.529 -20.091 -4.014 1.00 0.00 C ATOM 391 CD1 TRP A 27 4.462 -20.777 -5.193 1.00 0.00 C ATOM 392 CD2 TRP A 27 4.268 -18.719 -4.331 1.00 0.00 C ATOM 393 NE1 TRP A 27 4.177 -19.915 -6.224 1.00 0.00 N ATOM 394 CE2 TRP A 27 4.052 -18.647 -5.721 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.195 -17.546 -3.576 1.00 0.00 C ATOM 396 CZ2 TRP A 27 3.769 -17.447 -6.369 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.914 -16.356 -4.220 1.00 0.00 C ATOM 398 CH2 TRP A 27 3.703 -16.313 -5.605 1.00 0.00 C ATOM 0 H TRP A 27 6.694 -21.945 -3.685 1.00 0.00 H new ATOM 0 HA TRP A 27 6.542 -19.437 -2.272 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.564 -21.719 -2.654 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.174 -20.174 -1.924 1.00 0.00 H new ATOM 0 HD1 TRP A 27 4.611 -21.841 -5.299 1.00 0.00 H new ATOM 0 HE1 TRP A 27 4.075 -20.177 -7.205 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.355 -17.569 -2.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.607 -17.412 -7.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.856 -15.443 -3.646 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.484 -15.367 -6.078 1.00 0.00 H new ATOM 409 N GLN A 28 6.529 -20.036 0.139 1.00 0.00 N ATOM 410 CA GLN A 28 6.702 -20.369 1.548 1.00 0.00 C ATOM 411 C GLN A 28 5.799 -19.509 2.425 1.00 0.00 C ATOM 412 O GLN A 28 5.629 -18.315 2.176 1.00 0.00 O ATOM 413 CB GLN A 28 8.163 -20.184 1.962 1.00 0.00 C ATOM 414 CG GLN A 28 9.015 -21.427 1.759 1.00 0.00 C ATOM 415 CD GLN A 28 8.939 -22.384 2.933 1.00 0.00 C ATOM 416 OE1 GLN A 28 7.870 -22.601 3.504 1.00 0.00 O ATOM 417 NE2 GLN A 28 10.077 -22.963 3.299 1.00 0.00 N ATOM 0 H GLN A 28 6.469 -19.036 -0.054 1.00 0.00 H new ATOM 0 HA GLN A 28 6.423 -21.414 1.686 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.593 -19.362 1.390 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.201 -19.895 3.012 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.691 -21.941 0.854 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.052 -21.131 1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.940 -22.754 2.797 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.088 -23.617 4.082 1.00 0.00 H new ATOM 426 N ARG A 29 5.222 -20.123 3.453 1.00 0.00 N ATOM 427 CA ARG A 29 4.335 -19.413 4.367 1.00 0.00 C ATOM 428 C ARG A 29 5.111 -18.394 5.196 1.00 0.00 C ATOM 429 O ARG A 29 6.147 -18.714 5.781 1.00 0.00 O ATOM 430 CB ARG A 29 3.622 -20.402 5.291 1.00 0.00 C ATOM 431 CG ARG A 29 2.631 -19.745 6.237 1.00 0.00 C ATOM 432 CD ARG A 29 2.207 -20.695 7.347 1.00 0.00 C ATOM 433 NE ARG A 29 0.882 -20.370 7.869 1.00 0.00 N ATOM 434 CZ ARG A 29 -0.250 -20.713 7.264 1.00 0.00 C ATOM 435 NH1 ARG A 29 -0.218 -21.388 6.124 1.00 0.00 N ATOM 436 NH2 ARG A 29 -1.417 -20.382 7.802 1.00 0.00 N ATOM 0 H ARG A 29 5.353 -21.110 3.674 1.00 0.00 H new ATOM 0 HA ARG A 29 3.592 -18.881 3.773 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.098 -21.140 4.684 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.367 -20.942 5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.079 -18.852 6.672 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.753 -19.421 5.678 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.207 -21.717 6.969 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.936 -20.655 8.157 1.00 0.00 H new ATOM 0 HE ARG A 29 0.823 -19.852 8.745 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.677 -21.646 5.709 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.089 -21.650 5.662 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.445 -19.864 8.680 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.286 -20.645 7.337 1.00 0.00 H new ATOM 450 N ARG A 30 4.604 -17.167 5.243 1.00 0.00 N ATOM 451 CA ARG A 30 5.251 -16.101 5.999 1.00 0.00 C ATOM 452 C ARG A 30 4.220 -15.106 6.526 1.00 0.00 C ATOM 453 O ARG A 30 3.338 -14.661 5.791 1.00 0.00 O ATOM 454 CB ARG A 30 6.275 -15.375 5.124 1.00 0.00 C ATOM 455 CG ARG A 30 7.368 -16.283 4.585 1.00 0.00 C ATOM 456 CD ARG A 30 8.424 -16.571 5.641 1.00 0.00 C ATOM 457 NE ARG A 30 9.500 -17.413 5.123 1.00 0.00 N ATOM 458 CZ ARG A 30 10.311 -18.126 5.896 1.00 0.00 C ATOM 459 NH1 ARG A 30 10.169 -18.101 7.214 1.00 0.00 N ATOM 460 NH2 ARG A 30 11.267 -18.868 5.351 1.00 0.00 N ATOM 0 H ARG A 30 3.747 -16.886 4.767 1.00 0.00 H new ATOM 0 HA ARG A 30 5.764 -16.552 6.849 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.758 -14.907 4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.733 -14.574 5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.928 -17.220 4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.836 -15.816 3.719 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.841 -15.631 6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.958 -17.062 6.495 1.00 0.00 H new ATOM 0 HE ARG A 30 9.636 -17.455 4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.435 -17.533 7.637 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.794 -18.650 7.805 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.379 -18.891 4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.889 -19.415 5.946 1.00 0.00 H new ATOM 474 N LYS A 31 4.338 -14.762 7.804 1.00 0.00 N ATOM 475 CA LYS A 31 3.419 -13.820 8.431 1.00 0.00 C ATOM 476 C LYS A 31 3.486 -12.458 7.748 1.00 0.00 C ATOM 477 O LYS A 31 4.562 -12.000 7.360 1.00 0.00 O ATOM 478 CB LYS A 31 3.743 -13.673 9.919 1.00 0.00 C ATOM 479 CG LYS A 31 2.735 -12.830 10.681 1.00 0.00 C ATOM 480 CD LYS A 31 3.383 -12.109 11.851 1.00 0.00 C ATOM 481 CE LYS A 31 3.338 -12.950 13.118 1.00 0.00 C ATOM 482 NZ LYS A 31 2.024 -12.842 13.809 1.00 0.00 N ATOM 0 H LYS A 31 5.062 -15.122 8.426 1.00 0.00 H new ATOM 0 HA LYS A 31 2.407 -14.211 8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.791 -14.664 10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.731 -13.226 10.025 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.285 -12.101 10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.929 -13.466 11.046 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.419 -11.873 11.606 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.873 -11.161 12.024 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.532 -13.993 12.869 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.131 -12.631 13.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.034 -13.429 14.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.849 -11.851 14.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.269 -13.171 13.173 1.00 0.00 H new ATOM 496 N CYS A 32 2.333 -11.815 7.606 1.00 0.00 N ATOM 497 CA CYS A 32 2.261 -10.504 6.970 1.00 0.00 C ATOM 498 C CYS A 32 1.292 -9.591 7.714 1.00 0.00 C ATOM 499 O CYS A 32 0.444 -10.057 8.475 1.00 0.00 O ATOM 500 CB CYS A 32 1.829 -10.645 5.510 1.00 0.00 C ATOM 501 SG CYS A 32 3.147 -11.194 4.400 1.00 0.00 S ATOM 0 H CYS A 32 1.435 -12.180 7.923 1.00 0.00 H new ATOM 0 HA CYS A 32 3.254 -10.056 7.005 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.003 -11.353 5.454 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.450 -9.685 5.160 1.00 0.00 H new ATOM 0 HG CYS A 32 4.129 -11.680 5.099 1.00 0.00 H new ATOM 507 N SER A 33 1.426 -8.287 7.491 1.00 0.00 N ATOM 508 CA SER A 33 0.565 -7.308 8.145 1.00 0.00 C ATOM 509 C SER A 33 0.528 -6.004 7.353 1.00 0.00 C ATOM 510 O SER A 33 1.427 -5.718 6.562 1.00 0.00 O ATOM 511 CB SER A 33 1.054 -7.039 9.569 1.00 0.00 C ATOM 512 OG SER A 33 1.409 -8.245 10.223 1.00 0.00 O ATOM 0 H SER A 33 2.122 -7.884 6.863 1.00 0.00 H new ATOM 0 HA SER A 33 -0.444 -7.717 8.186 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.914 -6.370 9.541 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.273 -6.531 10.135 1.00 0.00 H new ATOM 0 HG SER A 33 0.857 -8.978 9.880 1.00 0.00 H new ATOM 518 N VAL A 34 -0.521 -5.216 7.572 1.00 0.00 N ATOM 519 CA VAL A 34 -0.677 -3.942 6.881 1.00 0.00 C ATOM 520 C VAL A 34 -1.389 -2.923 7.763 1.00 0.00 C ATOM 521 O VAL A 34 -2.495 -3.167 8.246 1.00 0.00 O ATOM 522 CB VAL A 34 -1.465 -4.108 5.568 1.00 0.00 C ATOM 523 CG1 VAL A 34 -2.103 -2.790 5.158 1.00 0.00 C ATOM 524 CG2 VAL A 34 -0.558 -4.637 4.467 1.00 0.00 C ATOM 0 H VAL A 34 -1.275 -5.438 8.222 1.00 0.00 H new ATOM 0 HA VAL A 34 0.326 -3.582 6.651 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.262 -4.834 5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.655 -2.927 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.786 -2.457 5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.326 -2.040 5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.130 -4.749 3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.261 -3.937 4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.154 -5.605 4.762 1.00 0.00 H new ATOM 534 N LYS A 35 -0.748 -1.777 7.969 1.00 0.00 N ATOM 535 CA LYS A 35 -1.320 -0.717 8.792 1.00 0.00 C ATOM 536 C LYS A 35 -0.694 0.632 8.454 1.00 0.00 C ATOM 537 O LYS A 35 0.518 0.734 8.265 1.00 0.00 O ATOM 538 CB LYS A 35 -1.116 -1.029 10.276 1.00 0.00 C ATOM 539 CG LYS A 35 -2.099 -0.316 11.188 1.00 0.00 C ATOM 540 CD LYS A 35 -1.625 -0.321 12.632 1.00 0.00 C ATOM 541 CE LYS A 35 -1.985 -1.623 13.332 1.00 0.00 C ATOM 542 NZ LYS A 35 -0.984 -2.692 13.063 1.00 0.00 N ATOM 0 H LYS A 35 0.168 -1.558 7.577 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.388 -0.664 8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.206 -2.105 10.428 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.101 -0.751 10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.230 0.712 10.851 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.074 -0.799 11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.545 -0.177 12.662 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.073 0.517 13.166 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.053 -1.451 14.406 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.969 -1.954 12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.444 -3.482 12.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.219 -2.310 12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.589 -3.032 13.963 1.00 0.00 H new ATOM 556 N ASN A 36 -1.527 1.664 8.380 1.00 0.00 N ATOM 557 CA ASN A 36 -1.054 3.008 8.066 1.00 0.00 C ATOM 558 C ASN A 36 -0.420 3.051 6.679 1.00 0.00 C ATOM 559 O ASN A 36 0.424 3.900 6.397 1.00 0.00 O ATOM 560 CB ASN A 36 -0.042 3.473 9.116 1.00 0.00 C ATOM 561 CG ASN A 36 -0.695 3.787 10.449 1.00 0.00 C ATOM 562 OD1 ASN A 36 -1.667 4.539 10.514 1.00 0.00 O ATOM 563 ND2 ASN A 36 -0.162 3.209 11.519 1.00 0.00 N ATOM 0 H ASN A 36 -2.533 1.596 8.533 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.912 3.680 8.075 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.712 2.699 9.257 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.476 4.360 8.750 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.559 3.382 12.443 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.644 2.592 11.417 1.00 0.00 H new ATOM 570 N GLY A 37 -0.834 2.127 5.816 1.00 0.00 N ATOM 571 CA GLY A 37 -0.296 2.077 4.469 1.00 0.00 C ATOM 572 C GLY A 37 1.087 1.461 4.419 1.00 0.00 C ATOM 573 O GLY A 37 1.846 1.697 3.478 1.00 0.00 O ATOM 0 H GLY A 37 -1.532 1.413 6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.969 1.502 3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.256 3.086 4.060 1.00 0.00 H new ATOM 577 N ILE A 38 1.418 0.670 5.434 1.00 0.00 N ATOM 578 CA ILE A 38 2.720 0.018 5.502 1.00 0.00 C ATOM 579 C ILE A 38 2.572 -1.492 5.655 1.00 0.00 C ATOM 580 O ILE A 38 1.811 -1.970 6.497 1.00 0.00 O ATOM 581 CB ILE A 38 3.561 0.561 6.672 1.00 0.00 C ATOM 582 CG1 ILE A 38 3.803 2.062 6.501 1.00 0.00 C ATOM 583 CG2 ILE A 38 4.883 -0.187 6.767 1.00 0.00 C ATOM 584 CD1 ILE A 38 4.417 2.428 5.168 1.00 0.00 C ATOM 0 H ILE A 38 0.802 0.465 6.221 1.00 0.00 H new ATOM 0 HA ILE A 38 3.232 0.237 4.565 1.00 0.00 H new ATOM 0 HB ILE A 38 3.010 0.404 7.599 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.856 2.589 6.612 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.457 2.410 7.301 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.466 0.209 7.599 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.690 -1.247 6.931 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.441 -0.059 5.840 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.560 3.507 5.117 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.380 1.929 5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.754 2.112 4.363 1.00 0.00 H new ATOM 596 N LEU A 39 3.305 -2.238 4.836 1.00 0.00 N ATOM 597 CA LEU A 39 3.258 -3.696 4.881 1.00 0.00 C ATOM 598 C LEU A 39 4.513 -4.261 5.537 1.00 0.00 C ATOM 599 O LEU A 39 5.613 -4.158 4.992 1.00 0.00 O ATOM 600 CB LEU A 39 3.106 -4.264 3.469 1.00 0.00 C ATOM 601 CG LEU A 39 3.526 -5.723 3.284 1.00 0.00 C ATOM 602 CD1 LEU A 39 2.570 -6.651 4.016 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.588 -6.076 1.805 1.00 0.00 C ATOM 0 H LEU A 39 3.939 -1.858 4.133 1.00 0.00 H new ATOM 0 HA LEU A 39 2.395 -3.989 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.062 -4.166 3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.692 -3.649 2.786 1.00 0.00 H new ATOM 0 HG LEU A 39 4.521 -5.852 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.885 -7.685 3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.576 -6.414 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.563 -6.521 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.888 -7.118 1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.606 -5.931 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.314 -5.433 1.308 1.00 0.00 H new ATOM 615 N THR A 40 4.342 -4.863 6.711 1.00 0.00 N ATOM 616 CA THR A 40 5.460 -5.446 7.441 1.00 0.00 C ATOM 617 C THR A 40 5.553 -6.948 7.196 1.00 0.00 C ATOM 618 O THR A 40 4.535 -7.637 7.115 1.00 0.00 O ATOM 619 CB THR A 40 5.338 -5.190 8.955 1.00 0.00 C ATOM 620 OG1 THR A 40 5.057 -3.807 9.197 1.00 0.00 O ATOM 621 CG2 THR A 40 6.617 -5.588 9.676 1.00 0.00 C ATOM 0 H THR A 40 3.439 -4.959 7.176 1.00 0.00 H new ATOM 0 HA THR A 40 6.365 -4.964 7.071 1.00 0.00 H new ATOM 0 HB THR A 40 4.519 -5.799 9.339 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.979 -3.653 10.162 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.507 -5.398 10.744 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.811 -6.648 9.514 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.451 -5.003 9.288 1.00 0.00 H new ATOM 629 N ILE A 41 6.778 -7.450 7.080 1.00 0.00 N ATOM 630 CA ILE A 41 7.002 -8.871 6.847 1.00 0.00 C ATOM 631 C ILE A 41 7.879 -9.476 7.939 1.00 0.00 C ATOM 632 O ILE A 41 9.100 -9.322 7.924 1.00 0.00 O ATOM 633 CB ILE A 41 7.662 -9.120 5.478 1.00 0.00 C ATOM 634 CG1 ILE A 41 6.773 -8.582 4.354 1.00 0.00 C ATOM 635 CG2 ILE A 41 7.933 -10.604 5.282 1.00 0.00 C ATOM 636 CD1 ILE A 41 7.442 -8.592 2.998 1.00 0.00 C ATOM 0 H ILE A 41 7.630 -6.893 7.144 1.00 0.00 H new ATOM 0 HA ILE A 41 6.024 -9.351 6.862 1.00 0.00 H new ATOM 0 HB ILE A 41 8.614 -8.590 5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.862 -9.178 4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.474 -7.562 4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.400 -10.763 4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.600 -10.959 6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.993 -11.155 5.328 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.754 -8.198 2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.338 -7.972 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.717 -9.614 2.735 1.00 0.00 H new ATOM 648 N SER A 42 7.247 -10.165 8.883 1.00 0.00 N ATOM 649 CA SER A 42 7.969 -10.792 9.984 1.00 0.00 C ATOM 650 C SER A 42 9.116 -11.652 9.462 1.00 0.00 C ATOM 651 O SER A 42 9.049 -12.192 8.357 1.00 0.00 O ATOM 652 CB SER A 42 7.018 -11.645 10.825 1.00 0.00 C ATOM 653 OG SER A 42 7.667 -12.142 11.983 1.00 0.00 O ATOM 0 H SER A 42 6.237 -10.303 8.908 1.00 0.00 H new ATOM 0 HA SER A 42 8.386 -10.002 10.609 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.152 -11.050 11.117 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.646 -12.477 10.227 1.00 0.00 H new ATOM 0 HG SER A 42 8.074 -13.011 11.783 1.00 0.00 H new ATOM 659 N HIS A 43 10.168 -11.776 10.265 1.00 0.00 N ATOM 660 CA HIS A 43 11.330 -12.571 9.885 1.00 0.00 C ATOM 661 C HIS A 43 11.583 -12.480 8.383 1.00 0.00 C ATOM 662 O HIS A 43 11.742 -13.497 7.708 1.00 0.00 O ATOM 663 CB HIS A 43 11.131 -14.031 10.293 1.00 0.00 C ATOM 664 CG HIS A 43 9.777 -14.569 9.950 1.00 0.00 C ATOM 665 ND1 HIS A 43 8.763 -14.702 10.876 1.00 0.00 N ATOM 666 CD2 HIS A 43 9.270 -15.009 8.775 1.00 0.00 C ATOM 667 CE1 HIS A 43 7.692 -15.201 10.285 1.00 0.00 C ATOM 668 NE2 HIS A 43 7.974 -15.396 9.009 1.00 0.00 N ATOM 0 H HIS A 43 10.240 -11.336 11.183 1.00 0.00 H new ATOM 0 HA HIS A 43 12.199 -12.171 10.407 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.890 -14.643 9.805 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.288 -14.124 11.368 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.789 -15.048 7.829 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.747 -15.413 10.763 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.333 -15.773 8.311 1.00 0.00 H new ATOM 677 N ALA A 44 11.617 -11.257 7.866 1.00 0.00 N ATOM 678 CA ALA A 44 11.851 -11.034 6.444 1.00 0.00 C ATOM 679 C ALA A 44 13.190 -11.622 6.010 1.00 0.00 C ATOM 680 O ALA A 44 13.290 -12.257 4.960 1.00 0.00 O ATOM 681 CB ALA A 44 11.798 -9.547 6.127 1.00 0.00 C ATOM 0 H ALA A 44 11.485 -10.405 8.410 1.00 0.00 H new ATOM 0 HA ALA A 44 11.063 -11.541 5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.974 -9.395 5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.817 -9.153 6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.565 -9.025 6.700 1.00 0.00 H new ATOM 687 N THR A 45 14.218 -11.405 6.824 1.00 0.00 N ATOM 688 CA THR A 45 15.551 -11.911 6.523 1.00 0.00 C ATOM 689 C THR A 45 16.177 -12.574 7.745 1.00 0.00 C ATOM 690 O THR A 45 16.840 -13.605 7.632 1.00 0.00 O ATOM 691 CB THR A 45 16.482 -10.787 6.031 1.00 0.00 C ATOM 692 OG1 THR A 45 15.901 -10.131 4.897 1.00 0.00 O ATOM 693 CG2 THR A 45 17.849 -11.340 5.658 1.00 0.00 C ATOM 0 H THR A 45 14.153 -10.882 7.697 1.00 0.00 H new ATOM 0 HA THR A 45 15.436 -12.650 5.730 1.00 0.00 H new ATOM 0 HB THR A 45 16.608 -10.069 6.841 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.498 -9.417 4.591 1.00 0.00 H new ATOM 0 HG21 THR A 45 18.489 -10.527 5.314 1.00 0.00 H new ATOM 0 HG22 THR A 45 18.301 -11.813 6.530 1.00 0.00 H new ATOM 0 HG23 THR A 45 17.739 -12.077 4.863 1.00 0.00 H new ATOM 701 N SER A 46 15.960 -11.977 8.912 1.00 0.00 N ATOM 702 CA SER A 46 16.506 -12.509 10.156 1.00 0.00 C ATOM 703 C SER A 46 15.833 -11.864 11.364 1.00 0.00 C ATOM 704 O SER A 46 14.995 -10.975 11.220 1.00 0.00 O ATOM 705 CB SER A 46 18.017 -12.276 10.215 1.00 0.00 C ATOM 706 OG SER A 46 18.662 -12.822 9.077 1.00 0.00 O ATOM 0 H SER A 46 15.410 -11.125 9.023 1.00 0.00 H new ATOM 0 HA SER A 46 16.309 -13.581 10.182 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.221 -11.207 10.275 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.423 -12.729 11.119 1.00 0.00 H new ATOM 0 HG SER A 46 18.114 -13.544 8.705 1.00 0.00 H new ATOM 712 N ASN A 47 16.207 -12.320 12.555 1.00 0.00 N ATOM 713 CA ASN A 47 15.640 -11.789 13.789 1.00 0.00 C ATOM 714 C ASN A 47 15.461 -10.276 13.698 1.00 0.00 C ATOM 715 O ASN A 47 14.477 -9.727 14.195 1.00 0.00 O ATOM 716 CB ASN A 47 16.537 -12.137 14.978 1.00 0.00 C ATOM 717 CG ASN A 47 15.767 -12.205 16.283 1.00 0.00 C ATOM 718 OD1 ASN A 47 15.414 -13.286 16.753 1.00 0.00 O ATOM 719 ND2 ASN A 47 15.503 -11.045 16.874 1.00 0.00 N ATOM 0 H ASN A 47 16.900 -13.056 12.692 1.00 0.00 H new ATOM 0 HA ASN A 47 14.661 -12.245 13.936 1.00 0.00 H new ATOM 0 HB2 ASN A 47 17.022 -13.096 14.795 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.327 -11.391 15.064 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.988 -11.027 17.754 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.816 -10.173 16.448 1.00 0.00 H new ATOM 726 N ARG A 48 16.417 -9.610 13.061 1.00 0.00 N ATOM 727 CA ARG A 48 16.366 -8.161 12.906 1.00 0.00 C ATOM 728 C ARG A 48 14.989 -7.715 12.422 1.00 0.00 C ATOM 729 O ARG A 48 14.267 -8.480 11.784 1.00 0.00 O ATOM 730 CB ARG A 48 17.440 -7.694 11.921 1.00 0.00 C ATOM 731 CG ARG A 48 17.875 -6.253 12.134 1.00 0.00 C ATOM 732 CD ARG A 48 18.882 -6.136 13.267 1.00 0.00 C ATOM 733 NE ARG A 48 18.229 -5.985 14.565 1.00 0.00 N ATOM 734 CZ ARG A 48 18.888 -5.935 15.717 1.00 0.00 C ATOM 735 NH1 ARG A 48 20.211 -6.022 15.733 1.00 0.00 N ATOM 736 NH2 ARG A 48 18.224 -5.796 16.858 1.00 0.00 N ATOM 0 H ARG A 48 17.237 -10.050 12.643 1.00 0.00 H new ATOM 0 HA ARG A 48 16.555 -7.709 13.880 1.00 0.00 H new ATOM 0 HB2 ARG A 48 18.310 -8.344 12.010 1.00 0.00 H new ATOM 0 HB3 ARG A 48 17.062 -7.804 10.905 1.00 0.00 H new ATOM 0 HG2 ARG A 48 18.313 -5.865 11.215 1.00 0.00 H new ATOM 0 HG3 ARG A 48 17.003 -5.638 12.356 1.00 0.00 H new ATOM 0 HD2 ARG A 48 19.517 -7.022 13.281 1.00 0.00 H new ATOM 0 HD3 ARG A 48 19.533 -5.281 13.087 1.00 0.00 H new ATOM 0 HE ARG A 48 17.212 -5.914 14.588 1.00 0.00 H new ATOM 0 HH11 ARG A 48 20.726 -6.128 14.859 1.00 0.00 H new ATOM 0 HH12 ARG A 48 20.714 -5.983 16.620 1.00 0.00 H new ATOM 0 HH21 ARG A 48 17.206 -5.727 16.851 1.00 0.00 H new ATOM 0 HH22 ARG A 48 18.731 -5.758 17.742 1.00 0.00 H new ATOM 750 N GLN A 49 14.633 -6.472 12.732 1.00 0.00 N ATOM 751 CA GLN A 49 13.343 -5.925 12.330 1.00 0.00 C ATOM 752 C GLN A 49 12.954 -6.414 10.939 1.00 0.00 C ATOM 753 O GLN A 49 13.801 -6.646 10.076 1.00 0.00 O ATOM 754 CB GLN A 49 13.383 -4.396 12.354 1.00 0.00 C ATOM 755 CG GLN A 49 13.389 -3.809 13.756 1.00 0.00 C ATOM 756 CD GLN A 49 12.246 -4.324 14.609 1.00 0.00 C ATOM 757 OE1 GLN A 49 11.078 -4.041 14.339 1.00 0.00 O ATOM 758 NE2 GLN A 49 12.577 -5.087 15.645 1.00 0.00 N ATOM 0 H GLN A 49 15.220 -5.826 13.260 1.00 0.00 H new ATOM 0 HA GLN A 49 12.593 -6.272 13.040 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.272 -4.056 11.823 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.520 -4.010 11.811 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.335 -4.047 14.241 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.328 -2.723 13.691 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.558 -5.296 15.832 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.850 -5.464 16.254 1.00 0.00 H new ATOM 767 N PRO A 50 11.641 -6.575 10.713 1.00 0.00 N ATOM 768 CA PRO A 50 11.110 -7.037 9.427 1.00 0.00 C ATOM 769 C PRO A 50 11.272 -5.996 8.325 1.00 0.00 C ATOM 770 O PRO A 50 11.706 -4.872 8.578 1.00 0.00 O ATOM 771 CB PRO A 50 9.628 -7.278 9.722 1.00 0.00 C ATOM 772 CG PRO A 50 9.319 -6.381 10.871 1.00 0.00 C ATOM 773 CD PRO A 50 10.575 -6.317 11.695 1.00 0.00 C ATOM 0 HA PRO A 50 11.635 -7.920 9.062 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.009 -7.041 8.857 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.439 -8.322 9.973 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.028 -5.389 10.525 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.487 -6.770 11.457 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.694 -5.344 12.171 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.572 -7.062 12.490 1.00 0.00 H new ATOM 781 N ALA A 51 10.920 -6.377 7.101 1.00 0.00 N ATOM 782 CA ALA A 51 11.024 -5.475 5.961 1.00 0.00 C ATOM 783 C ALA A 51 9.704 -4.753 5.710 1.00 0.00 C ATOM 784 O ALA A 51 8.702 -5.375 5.355 1.00 0.00 O ATOM 785 CB ALA A 51 11.453 -6.241 4.719 1.00 0.00 C ATOM 0 H ALA A 51 10.560 -7.304 6.874 1.00 0.00 H new ATOM 0 HA ALA A 51 11.781 -4.725 6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.526 -5.555 3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.423 -6.705 4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.717 -7.013 4.495 1.00 0.00 H new ATOM 791 N LYS A 52 9.709 -3.438 5.897 1.00 0.00 N ATOM 792 CA LYS A 52 8.513 -2.631 5.690 1.00 0.00 C ATOM 793 C LYS A 52 8.433 -2.134 4.250 1.00 0.00 C ATOM 794 O LYS A 52 9.306 -1.398 3.787 1.00 0.00 O ATOM 795 CB LYS A 52 8.503 -1.441 6.652 1.00 0.00 C ATOM 796 CG LYS A 52 7.892 -1.758 8.006 1.00 0.00 C ATOM 797 CD LYS A 52 7.686 -0.501 8.834 1.00 0.00 C ATOM 798 CE LYS A 52 8.910 -0.184 9.679 1.00 0.00 C ATOM 799 NZ LYS A 52 8.876 1.210 10.204 1.00 0.00 N ATOM 0 H LYS A 52 10.529 -2.908 6.192 1.00 0.00 H new ATOM 0 HA LYS A 52 7.644 -3.258 5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.526 -1.093 6.797 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.949 -0.621 6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.936 -2.263 7.865 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.540 -2.448 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.470 0.339 8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.819 -0.629 9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.967 -0.885 10.512 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.810 -0.325 9.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.727 1.387 10.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.847 1.880 9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.030 1.338 10.795 1.00 0.00 H new ATOM 813 N LEU A 53 7.383 -2.540 3.546 1.00 0.00 N ATOM 814 CA LEU A 53 7.189 -2.135 2.158 1.00 0.00 C ATOM 815 C LEU A 53 6.099 -1.074 2.048 1.00 0.00 C ATOM 816 O LEU A 53 4.923 -1.351 2.281 1.00 0.00 O ATOM 817 CB LEU A 53 6.825 -3.347 1.298 1.00 0.00 C ATOM 818 CG LEU A 53 7.987 -4.252 0.888 1.00 0.00 C ATOM 819 CD1 LEU A 53 7.514 -5.688 0.724 1.00 0.00 C ATOM 820 CD2 LEU A 53 8.626 -3.749 -0.399 1.00 0.00 C ATOM 0 H LEU A 53 6.652 -3.150 3.913 1.00 0.00 H new ATOM 0 HA LEU A 53 8.124 -1.708 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.097 -3.948 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.332 -2.991 0.394 1.00 0.00 H new ATOM 0 HG LEU A 53 8.738 -4.227 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.355 -6.317 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.104 -6.046 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.744 -5.732 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.451 -4.405 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.883 -3.744 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.002 -2.737 -0.247 1.00 0.00 H new ATOM 832 N ASN A 54 6.498 0.142 1.689 1.00 0.00 N ATOM 833 CA ASN A 54 5.555 1.245 1.546 1.00 0.00 C ATOM 834 C ASN A 54 4.568 0.974 0.414 1.00 0.00 C ATOM 835 O ASN A 54 4.965 0.751 -0.730 1.00 0.00 O ATOM 836 CB ASN A 54 6.304 2.553 1.282 1.00 0.00 C ATOM 837 CG ASN A 54 5.370 3.742 1.171 1.00 0.00 C ATOM 838 OD1 ASN A 54 4.683 3.914 0.163 1.00 0.00 O ATOM 839 ND2 ASN A 54 5.340 4.570 2.208 1.00 0.00 N ATOM 0 H ASN A 54 7.468 0.388 1.492 1.00 0.00 H new ATOM 0 HA ASN A 54 4.996 1.335 2.478 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.017 2.729 2.087 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.880 2.459 0.361 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.731 5.388 2.190 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.926 4.389 3.023 1.00 0.00 H new ATOM 846 N LEU A 55 3.281 0.996 0.741 1.00 0.00 N ATOM 847 CA LEU A 55 2.236 0.753 -0.247 1.00 0.00 C ATOM 848 C LEU A 55 2.084 1.948 -1.183 1.00 0.00 C ATOM 849 O LEU A 55 1.791 1.788 -2.369 1.00 0.00 O ATOM 850 CB LEU A 55 0.905 0.463 0.449 1.00 0.00 C ATOM 851 CG LEU A 55 0.723 -0.958 0.983 1.00 0.00 C ATOM 852 CD1 LEU A 55 1.945 -1.390 1.778 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.532 -1.049 1.840 1.00 0.00 C ATOM 0 H LEU A 55 2.936 1.180 1.683 1.00 0.00 H new ATOM 0 HA LEU A 55 2.525 -0.115 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.793 1.159 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.098 0.672 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 55 0.610 -1.633 0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.797 -2.404 2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.825 -1.364 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.090 -0.712 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.646 -2.067 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.448 -0.363 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.402 -0.782 1.240 1.00 0.00 H new ATOM 865 N LEU A 56 2.287 3.144 -0.644 1.00 0.00 N ATOM 866 CA LEU A 56 2.175 4.367 -1.431 1.00 0.00 C ATOM 867 C LEU A 56 3.134 4.342 -2.617 1.00 0.00 C ATOM 868 O LEU A 56 2.928 5.038 -3.612 1.00 0.00 O ATOM 869 CB LEU A 56 2.461 5.589 -0.556 1.00 0.00 C ATOM 870 CG LEU A 56 1.926 5.529 0.876 1.00 0.00 C ATOM 871 CD1 LEU A 56 2.153 6.854 1.586 1.00 0.00 C ATOM 872 CD2 LEU A 56 0.449 5.165 0.878 1.00 0.00 C ATOM 0 H LEU A 56 2.530 3.294 0.335 1.00 0.00 H new ATOM 0 HA LEU A 56 1.156 4.431 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.540 5.736 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.039 6.467 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 56 2.471 4.754 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.766 6.793 2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.220 7.072 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.635 7.648 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.085 5.127 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.112 5.916 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.314 4.191 0.409 1.00 0.00 H new ATOM 884 N THR A 57 4.182 3.531 -2.506 1.00 0.00 N ATOM 885 CA THR A 57 5.172 3.414 -3.569 1.00 0.00 C ATOM 886 C THR A 57 5.095 2.049 -4.244 1.00 0.00 C ATOM 887 O THR A 57 5.386 1.916 -5.433 1.00 0.00 O ATOM 888 CB THR A 57 6.600 3.628 -3.033 1.00 0.00 C ATOM 889 OG1 THR A 57 7.019 2.483 -2.282 1.00 0.00 O ATOM 890 CG2 THR A 57 6.668 4.869 -2.155 1.00 0.00 C ATOM 0 H THR A 57 4.367 2.946 -1.691 1.00 0.00 H new ATOM 0 HA THR A 57 4.945 4.191 -4.299 1.00 0.00 H new ATOM 0 HB THR A 57 7.266 3.767 -3.884 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.253 2.111 -1.797 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.686 5.000 -1.788 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.377 5.743 -2.738 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.990 4.754 -1.310 1.00 0.00 H new ATOM 898 N CYS A 58 4.700 1.037 -3.478 1.00 0.00 N ATOM 899 CA CYS A 58 4.585 -0.319 -4.002 1.00 0.00 C ATOM 900 C CYS A 58 3.360 -0.452 -4.901 1.00 0.00 C ATOM 901 O CYS A 58 2.463 0.391 -4.872 1.00 0.00 O ATOM 902 CB CYS A 58 4.502 -1.326 -2.855 1.00 0.00 C ATOM 903 SG CYS A 58 6.110 -1.842 -2.208 1.00 0.00 S ATOM 0 H CYS A 58 4.454 1.130 -2.492 1.00 0.00 H new ATOM 0 HA CYS A 58 5.474 -0.529 -4.596 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.919 -0.889 -2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.961 -2.208 -3.198 1.00 0.00 H new ATOM 0 HG CYS A 58 6.475 -1.033 -1.258 1.00 0.00 H new ATOM 909 N GLN A 59 3.330 -1.514 -5.699 1.00 0.00 N ATOM 910 CA GLN A 59 2.215 -1.756 -6.608 1.00 0.00 C ATOM 911 C GLN A 59 1.563 -3.105 -6.324 1.00 0.00 C ATOM 912 O GLN A 59 2.234 -4.060 -5.932 1.00 0.00 O ATOM 913 CB GLN A 59 2.693 -1.702 -8.060 1.00 0.00 C ATOM 914 CG GLN A 59 1.602 -1.319 -9.046 1.00 0.00 C ATOM 915 CD GLN A 59 2.147 -1.000 -10.424 1.00 0.00 C ATOM 916 OE1 GLN A 59 3.266 -1.382 -10.766 1.00 0.00 O ATOM 917 NE2 GLN A 59 1.355 -0.297 -11.226 1.00 0.00 N ATOM 0 H GLN A 59 4.065 -2.221 -5.735 1.00 0.00 H new ATOM 0 HA GLN A 59 1.472 -0.974 -6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.510 -0.985 -8.138 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.096 -2.676 -8.337 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.884 -2.136 -9.123 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.060 -0.454 -8.664 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.434 -0.001 -10.902 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.667 -0.054 -12.166 1.00 0.00 H new ATOM 926 N VAL A 60 0.251 -3.176 -6.523 1.00 0.00 N ATOM 927 CA VAL A 60 -0.492 -4.408 -6.289 1.00 0.00 C ATOM 928 C VAL A 60 -1.214 -4.863 -7.553 1.00 0.00 C ATOM 929 O VAL A 60 -2.307 -4.389 -7.862 1.00 0.00 O ATOM 930 CB VAL A 60 -1.522 -4.236 -5.157 1.00 0.00 C ATOM 931 CG1 VAL A 60 -2.366 -5.493 -5.007 1.00 0.00 C ATOM 932 CG2 VAL A 60 -0.824 -3.894 -3.849 1.00 0.00 C ATOM 0 H VAL A 60 -0.319 -2.394 -6.846 1.00 0.00 H new ATOM 0 HA VAL A 60 0.235 -5.165 -5.997 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.185 -3.410 -5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.088 -5.353 -4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.895 -5.689 -5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.720 -6.339 -4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.567 -3.776 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.136 -4.697 -3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.268 -2.964 -3.966 1.00 0.00 H new ATOM 942 N LYS A 61 -0.595 -5.787 -8.280 1.00 0.00 N ATOM 943 CA LYS A 61 -1.177 -6.310 -9.510 1.00 0.00 C ATOM 944 C LYS A 61 -1.640 -7.751 -9.324 1.00 0.00 C ATOM 945 O LYS A 61 -0.861 -8.698 -9.435 1.00 0.00 O ATOM 946 CB LYS A 61 -0.162 -6.232 -10.653 1.00 0.00 C ATOM 947 CG LYS A 61 -0.273 -4.963 -11.480 1.00 0.00 C ATOM 948 CD LYS A 61 -0.067 -3.722 -10.627 1.00 0.00 C ATOM 949 CE LYS A 61 -0.852 -2.537 -11.170 1.00 0.00 C ATOM 950 NZ LYS A 61 -2.314 -2.684 -10.930 1.00 0.00 N ATOM 0 H LYS A 61 0.311 -6.189 -8.038 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.044 -5.698 -9.760 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.844 -6.299 -10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.296 -7.094 -11.306 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.467 -4.983 -12.280 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.254 -4.921 -11.954 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.378 -3.927 -9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.994 -3.473 -10.594 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.497 -1.620 -10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.668 -2.439 -12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.781 -1.764 -11.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.709 -3.371 -11.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.474 -3.020 -9.959 1.00 0.00 H new ATOM 964 N PRO A 62 -2.938 -7.924 -9.036 1.00 0.00 N ATOM 965 CA PRO A 62 -3.534 -9.248 -8.830 1.00 0.00 C ATOM 966 C PRO A 62 -3.613 -10.055 -10.121 1.00 0.00 C ATOM 967 O PRO A 62 -4.006 -9.537 -11.165 1.00 0.00 O ATOM 968 CB PRO A 62 -4.939 -8.928 -8.313 1.00 0.00 C ATOM 969 CG PRO A 62 -5.240 -7.571 -8.848 1.00 0.00 C ATOM 970 CD PRO A 62 -3.925 -6.841 -8.888 1.00 0.00 C ATOM 0 HA PRO A 62 -2.943 -9.859 -8.148 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.666 -9.661 -8.662 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.972 -8.940 -7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.683 -7.633 -9.842 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.956 -7.051 -8.212 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.880 -6.140 -9.721 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.757 -6.266 -7.978 1.00 0.00 H new ATOM 978 N ASN A 63 -3.236 -11.327 -10.042 1.00 0.00 N ATOM 979 CA ASN A 63 -3.263 -12.206 -11.206 1.00 0.00 C ATOM 980 C ASN A 63 -4.656 -12.797 -11.408 1.00 0.00 C ATOM 981 O ASN A 63 -4.992 -13.830 -10.832 1.00 0.00 O ATOM 982 CB ASN A 63 -2.239 -13.331 -11.046 1.00 0.00 C ATOM 983 CG ASN A 63 -0.885 -12.966 -11.625 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.526 -13.406 -12.718 1.00 0.00 O ATOM 985 ND2 ASN A 63 -0.127 -12.158 -10.893 1.00 0.00 N ATOM 0 H ASN A 63 -2.908 -11.772 -9.185 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.007 -11.613 -12.084 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.127 -13.569 -9.988 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.611 -14.230 -11.537 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.794 -11.878 -11.231 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.465 -11.818 -9.993 1.00 0.00 H new ATOM 992 N ALA A 64 -5.460 -12.132 -12.231 1.00 0.00 N ATOM 993 CA ALA A 64 -6.814 -12.592 -12.512 1.00 0.00 C ATOM 994 C ALA A 64 -6.806 -14.004 -13.089 1.00 0.00 C ATOM 995 O ALA A 64 -7.525 -14.882 -12.614 1.00 0.00 O ATOM 996 CB ALA A 64 -7.510 -11.633 -13.467 1.00 0.00 C ATOM 0 H ALA A 64 -5.197 -11.273 -12.715 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.365 -12.615 -11.572 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.520 -11.989 -13.668 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.558 -10.642 -13.017 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.951 -11.581 -14.401 1.00 0.00 H new ATOM 1002 N GLU A 65 -5.989 -14.213 -14.117 1.00 0.00 N ATOM 1003 CA GLU A 65 -5.890 -15.518 -14.759 1.00 0.00 C ATOM 1004 C GLU A 65 -6.066 -16.641 -13.741 1.00 0.00 C ATOM 1005 O GLU A 65 -6.807 -17.596 -13.975 1.00 0.00 O ATOM 1006 CB GLU A 65 -4.540 -15.663 -15.465 1.00 0.00 C ATOM 1007 CG GLU A 65 -4.497 -15.009 -16.836 1.00 0.00 C ATOM 1008 CD GLU A 65 -3.154 -15.176 -17.520 1.00 0.00 C ATOM 1009 OE1 GLU A 65 -2.192 -14.491 -17.115 1.00 0.00 O ATOM 1010 OE2 GLU A 65 -3.066 -15.993 -18.461 1.00 0.00 O ATOM 0 H GLU A 65 -5.387 -13.496 -14.522 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.688 -15.592 -15.497 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.763 -15.225 -14.838 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.306 -16.722 -15.570 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.277 -15.440 -17.464 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.719 -13.947 -16.735 1.00 0.00 H new ATOM 1017 N ASP A 66 -5.380 -16.519 -12.610 1.00 0.00 N ATOM 1018 CA ASP A 66 -5.460 -17.522 -11.554 1.00 0.00 C ATOM 1019 C ASP A 66 -6.225 -16.983 -10.350 1.00 0.00 C ATOM 1020 O ASP A 66 -6.602 -15.811 -10.313 1.00 0.00 O ATOM 1021 CB ASP A 66 -4.057 -17.959 -11.129 1.00 0.00 C ATOM 1022 CG ASP A 66 -3.424 -18.915 -12.120 1.00 0.00 C ATOM 1023 OD1 ASP A 66 -4.174 -19.601 -12.845 1.00 0.00 O ATOM 1024 OD2 ASP A 66 -2.177 -18.978 -12.171 1.00 0.00 O ATOM 0 H ASP A 66 -4.762 -15.735 -12.401 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.997 -18.385 -11.946 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.423 -17.079 -11.021 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.109 -18.436 -10.150 1.00 0.00 H new ATOM 1029 N LYS A 67 -6.453 -17.846 -9.366 1.00 0.00 N ATOM 1030 CA LYS A 67 -7.173 -17.458 -8.158 1.00 0.00 C ATOM 1031 C LYS A 67 -6.224 -17.351 -6.969 1.00 0.00 C ATOM 1032 O LYS A 67 -5.221 -18.061 -6.896 1.00 0.00 O ATOM 1033 CB LYS A 67 -8.279 -18.471 -7.852 1.00 0.00 C ATOM 1034 CG LYS A 67 -9.393 -18.485 -8.884 1.00 0.00 C ATOM 1035 CD LYS A 67 -10.384 -17.356 -8.651 1.00 0.00 C ATOM 1036 CE LYS A 67 -11.426 -17.736 -7.609 1.00 0.00 C ATOM 1037 NZ LYS A 67 -10.878 -17.668 -6.226 1.00 0.00 N ATOM 0 H LYS A 67 -6.149 -18.820 -9.381 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.622 -16.480 -8.331 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.841 -19.467 -7.789 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.704 -18.248 -6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.966 -18.395 -9.883 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.914 -19.442 -8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.850 -16.463 -8.325 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.880 -17.106 -9.589 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.284 -17.069 -7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.787 -18.745 -7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.655 -17.511 -5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.398 -18.562 -5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.199 -16.883 -6.160 1.00 0.00 H new ATOM 1051 N LYS A 68 -6.548 -16.460 -6.038 1.00 0.00 N ATOM 1052 CA LYS A 68 -5.726 -16.262 -4.850 1.00 0.00 C ATOM 1053 C LYS A 68 -4.266 -16.033 -5.230 1.00 0.00 C ATOM 1054 O LYS A 68 -3.369 -16.698 -4.713 1.00 0.00 O ATOM 1055 CB LYS A 68 -5.838 -17.471 -3.919 1.00 0.00 C ATOM 1056 CG LYS A 68 -7.143 -17.522 -3.143 1.00 0.00 C ATOM 1057 CD LYS A 68 -7.262 -18.804 -2.336 1.00 0.00 C ATOM 1058 CE LYS A 68 -7.812 -19.944 -3.181 1.00 0.00 C ATOM 1059 NZ LYS A 68 -6.763 -20.546 -4.050 1.00 0.00 N ATOM 0 H LYS A 68 -7.374 -15.863 -6.083 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.091 -15.376 -4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.739 -18.383 -4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.006 -17.455 -3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.204 -16.663 -2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.982 -17.447 -3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.284 -19.080 -1.943 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.915 -18.637 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.228 -20.712 -2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.629 -19.575 -3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.909 -21.574 -4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.822 -20.132 -5.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.824 -20.353 -3.646 1.00 0.00 H new ATOM 1073 N SER A 69 -4.036 -15.087 -6.135 1.00 0.00 N ATOM 1074 CA SER A 69 -2.686 -14.772 -6.585 1.00 0.00 C ATOM 1075 C SER A 69 -2.537 -13.278 -6.854 1.00 0.00 C ATOM 1076 O SER A 69 -3.432 -12.644 -7.414 1.00 0.00 O ATOM 1077 CB SER A 69 -2.349 -15.565 -7.850 1.00 0.00 C ATOM 1078 OG SER A 69 -0.962 -15.847 -7.921 1.00 0.00 O ATOM 0 H SER A 69 -4.768 -14.525 -6.571 1.00 0.00 H new ATOM 0 HA SER A 69 -1.992 -15.052 -5.793 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.914 -16.497 -7.860 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.654 -14.999 -8.730 1.00 0.00 H new ATOM 0 HG SER A 69 -0.773 -16.356 -8.737 1.00 0.00 H new ATOM 1084 N PHE A 70 -1.400 -12.721 -6.451 1.00 0.00 N ATOM 1085 CA PHE A 70 -1.132 -11.301 -6.647 1.00 0.00 C ATOM 1086 C PHE A 70 0.363 -11.011 -6.552 1.00 0.00 C ATOM 1087 O PHE A 70 1.061 -11.569 -5.705 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.892 -10.470 -5.611 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.199 -10.392 -4.280 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.381 -11.384 -3.331 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -0.367 -9.326 -3.979 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -0.745 -11.316 -2.106 1.00 0.00 C ATOM 1093 CE2 PHE A 70 0.272 -9.252 -2.756 1.00 0.00 C ATOM 1094 CZ PHE A 70 0.082 -10.248 -1.818 1.00 0.00 C ATOM 0 H PHE A 70 -0.649 -13.231 -5.986 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.474 -11.026 -7.645 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.032 -9.461 -5.998 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.884 -10.898 -5.470 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.028 -12.221 -3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.216 -8.544 -4.708 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.894 -12.097 -1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.919 -8.416 -2.534 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.579 -10.192 -0.861 1.00 0.00 H new ATOM 1104 N ASP A 71 0.846 -10.135 -7.425 1.00 0.00 N ATOM 1105 CA ASP A 71 2.257 -9.769 -7.440 1.00 0.00 C ATOM 1106 C ASP A 71 2.456 -8.347 -6.926 1.00 0.00 C ATOM 1107 O ASP A 71 1.755 -7.422 -7.340 1.00 0.00 O ATOM 1108 CB ASP A 71 2.824 -9.896 -8.855 1.00 0.00 C ATOM 1109 CG ASP A 71 3.354 -11.287 -9.144 1.00 0.00 C ATOM 1110 OD1 ASP A 71 3.612 -12.035 -8.178 1.00 0.00 O ATOM 1111 OD2 ASP A 71 3.510 -11.627 -10.336 1.00 0.00 O ATOM 0 H ASP A 71 0.281 -9.665 -8.132 1.00 0.00 H new ATOM 0 HA ASP A 71 2.790 -10.453 -6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.047 -9.649 -9.578 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.626 -9.170 -8.988 1.00 0.00 H new ATOM 1116 N LEU A 72 3.413 -8.179 -6.020 1.00 0.00 N ATOM 1117 CA LEU A 72 3.704 -6.869 -5.447 1.00 0.00 C ATOM 1118 C LEU A 72 4.989 -6.292 -6.031 1.00 0.00 C ATOM 1119 O LEU A 72 6.090 -6.670 -5.627 1.00 0.00 O ATOM 1120 CB LEU A 72 3.821 -6.971 -3.926 1.00 0.00 C ATOM 1121 CG LEU A 72 3.954 -5.647 -3.172 1.00 0.00 C ATOM 1122 CD1 LEU A 72 2.646 -4.873 -3.218 1.00 0.00 C ATOM 1123 CD2 LEU A 72 4.381 -5.893 -1.733 1.00 0.00 C ATOM 0 H LEU A 72 4.001 -8.934 -5.666 1.00 0.00 H new ATOM 0 HA LEU A 72 2.881 -6.199 -5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.942 -7.494 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.687 -7.589 -3.689 1.00 0.00 H new ATOM 0 HG LEU A 72 4.723 -5.049 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.760 -3.934 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.383 -4.664 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.856 -5.465 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.471 -4.940 -1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.636 -6.511 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.343 -6.405 -1.721 1.00 0.00 H new ATOM 1135 N ILE A 73 4.842 -5.375 -6.980 1.00 0.00 N ATOM 1136 CA ILE A 73 5.992 -4.743 -7.616 1.00 0.00 C ATOM 1137 C ILE A 73 6.544 -3.612 -6.756 1.00 0.00 C ATOM 1138 O ILE A 73 5.961 -2.531 -6.684 1.00 0.00 O ATOM 1139 CB ILE A 73 5.631 -4.187 -9.006 1.00 0.00 C ATOM 1140 CG1 ILE A 73 5.203 -5.321 -9.939 1.00 0.00 C ATOM 1141 CG2 ILE A 73 6.810 -3.426 -9.595 1.00 0.00 C ATOM 1142 CD1 ILE A 73 4.197 -4.896 -10.986 1.00 0.00 C ATOM 0 H ILE A 73 3.938 -5.053 -7.326 1.00 0.00 H new ATOM 0 HA ILE A 73 6.754 -5.515 -7.729 1.00 0.00 H new ATOM 0 HB ILE A 73 4.795 -3.496 -8.898 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.085 -5.723 -10.437 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.777 -6.129 -9.344 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.539 -3.039 -10.577 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.072 -2.597 -8.938 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.664 -4.096 -9.692 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.940 -5.751 -11.611 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.298 -4.521 -10.496 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.627 -4.109 -11.606 1.00 0.00 H new ATOM 1154 N SER A 74 7.675 -3.869 -6.105 1.00 0.00 N ATOM 1155 CA SER A 74 8.306 -2.873 -5.247 1.00 0.00 C ATOM 1156 C SER A 74 9.156 -1.909 -6.068 1.00 0.00 C ATOM 1157 O SER A 74 9.848 -2.315 -7.002 1.00 0.00 O ATOM 1158 CB SER A 74 9.171 -3.557 -4.186 1.00 0.00 C ATOM 1159 OG SER A 74 8.391 -4.405 -3.361 1.00 0.00 O ATOM 0 H SER A 74 8.172 -4.758 -6.156 1.00 0.00 H new ATOM 0 HA SER A 74 7.518 -2.305 -4.752 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.956 -4.138 -4.671 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.665 -2.803 -3.574 1.00 0.00 H new ATOM 0 HG SER A 74 8.664 -5.336 -3.498 1.00 0.00 H new ATOM 1165 N HIS A 75 9.098 -0.629 -5.713 1.00 0.00 N ATOM 1166 CA HIS A 75 9.863 0.395 -6.416 1.00 0.00 C ATOM 1167 C HIS A 75 11.271 -0.101 -6.733 1.00 0.00 C ATOM 1168 O HIS A 75 11.904 0.364 -7.680 1.00 0.00 O ATOM 1169 CB HIS A 75 9.936 1.672 -5.579 1.00 0.00 C ATOM 1170 CG HIS A 75 10.704 2.777 -6.237 1.00 0.00 C ATOM 1171 ND1 HIS A 75 10.597 3.071 -7.580 1.00 0.00 N ATOM 1172 CD2 HIS A 75 11.594 3.661 -5.729 1.00 0.00 C ATOM 1173 CE1 HIS A 75 11.389 4.088 -7.870 1.00 0.00 C ATOM 1174 NE2 HIS A 75 12.005 4.465 -6.764 1.00 0.00 N ATOM 0 H HIS A 75 8.529 -0.276 -4.943 1.00 0.00 H new ATOM 0 HA HIS A 75 9.354 0.614 -7.355 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.924 2.018 -5.371 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.398 1.441 -4.619 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.920 3.723 -4.701 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.512 4.535 -8.845 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.677 5.229 -6.691 1.00 0.00 H new ATOM 1183 N ASN A 76 11.755 -1.046 -5.933 1.00 0.00 N ATOM 1184 CA ASN A 76 13.088 -1.603 -6.128 1.00 0.00 C ATOM 1185 C ASN A 76 13.048 -2.788 -7.088 1.00 0.00 C ATOM 1186 O ASN A 76 13.682 -2.768 -8.143 1.00 0.00 O ATOM 1187 CB ASN A 76 13.682 -2.038 -4.787 1.00 0.00 C ATOM 1188 CG ASN A 76 15.198 -2.077 -4.811 1.00 0.00 C ATOM 1189 OD1 ASN A 76 15.799 -2.779 -5.624 1.00 0.00 O ATOM 1190 ND2 ASN A 76 15.824 -1.320 -3.917 1.00 0.00 N ATOM 0 H ASN A 76 11.244 -1.442 -5.144 1.00 0.00 H new ATOM 0 HA ASN A 76 13.719 -0.828 -6.563 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.351 -1.352 -4.007 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.300 -3.025 -4.527 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.843 -1.305 -3.886 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.285 -0.754 -3.262 1.00 0.00 H new ATOM 1197 N ARG A 77 12.297 -3.819 -6.715 1.00 0.00 N ATOM 1198 CA ARG A 77 12.174 -5.014 -7.542 1.00 0.00 C ATOM 1199 C ARG A 77 10.742 -5.541 -7.525 1.00 0.00 C ATOM 1200 O ARG A 77 9.853 -4.938 -6.924 1.00 0.00 O ATOM 1201 CB ARG A 77 13.135 -6.099 -7.053 1.00 0.00 C ATOM 1202 CG ARG A 77 14.572 -5.625 -6.918 1.00 0.00 C ATOM 1203 CD ARG A 77 15.326 -6.423 -5.865 1.00 0.00 C ATOM 1204 NE ARG A 77 15.963 -7.609 -6.430 1.00 0.00 N ATOM 1205 CZ ARG A 77 16.478 -8.588 -5.694 1.00 0.00 C ATOM 1206 NH1 ARG A 77 16.430 -8.522 -4.371 1.00 0.00 N ATOM 1207 NH2 ARG A 77 17.041 -9.636 -6.282 1.00 0.00 N ATOM 0 H ARG A 77 11.765 -3.851 -5.846 1.00 0.00 H new ATOM 0 HA ARG A 77 12.432 -4.746 -8.567 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.791 -6.468 -6.087 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.102 -6.940 -7.746 1.00 0.00 H new ATOM 0 HG2 ARG A 77 15.079 -5.718 -7.879 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.584 -4.568 -6.653 1.00 0.00 H new ATOM 0 HD2 ARG A 77 16.084 -5.790 -5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.637 -6.723 -5.075 1.00 0.00 H new ATOM 0 HE ARG A 77 16.016 -7.690 -7.445 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.997 -7.718 -3.916 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.826 -9.275 -3.808 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.079 -9.690 -7.300 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.436 -10.387 -5.716 1.00 0.00 H new ATOM 1221 N THR A 78 10.526 -6.672 -8.191 1.00 0.00 N ATOM 1222 CA THR A 78 9.203 -7.280 -8.254 1.00 0.00 C ATOM 1223 C THR A 78 9.077 -8.428 -7.260 1.00 0.00 C ATOM 1224 O THR A 78 9.906 -9.339 -7.240 1.00 0.00 O ATOM 1225 CB THR A 78 8.893 -7.805 -9.669 1.00 0.00 C ATOM 1226 OG1 THR A 78 8.957 -6.731 -10.615 1.00 0.00 O ATOM 1227 CG2 THR A 78 7.516 -8.449 -9.718 1.00 0.00 C ATOM 0 H THR A 78 11.250 -7.185 -8.694 1.00 0.00 H new ATOM 0 HA THR A 78 8.485 -6.501 -7.998 1.00 0.00 H new ATOM 0 HB THR A 78 9.638 -8.559 -9.924 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.761 -7.073 -11.512 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.320 -8.812 -10.727 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.480 -9.284 -9.018 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.760 -7.713 -9.444 1.00 0.00 H new ATOM 1235 N TYR A 79 8.036 -8.380 -6.437 1.00 0.00 N ATOM 1236 CA TYR A 79 7.803 -9.417 -5.438 1.00 0.00 C ATOM 1237 C TYR A 79 6.539 -10.208 -5.758 1.00 0.00 C ATOM 1238 O TYR A 79 5.588 -9.676 -6.333 1.00 0.00 O ATOM 1239 CB TYR A 79 7.690 -8.796 -4.045 1.00 0.00 C ATOM 1240 CG TYR A 79 9.011 -8.318 -3.485 1.00 0.00 C ATOM 1241 CD1 TYR A 79 9.858 -7.516 -4.240 1.00 0.00 C ATOM 1242 CD2 TYR A 79 9.414 -8.670 -2.203 1.00 0.00 C ATOM 1243 CE1 TYR A 79 11.067 -7.078 -3.734 1.00 0.00 C ATOM 1244 CE2 TYR A 79 10.619 -8.236 -1.688 1.00 0.00 C ATOM 1245 CZ TYR A 79 11.442 -7.440 -2.457 1.00 0.00 C ATOM 1246 OH TYR A 79 12.645 -7.006 -1.948 1.00 0.00 O ATOM 0 H TYR A 79 7.340 -7.634 -6.441 1.00 0.00 H new ATOM 0 HA TYR A 79 8.652 -10.101 -5.456 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.997 -7.955 -4.086 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.260 -9.530 -3.363 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.566 -7.230 -5.240 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.773 -9.294 -1.598 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.714 -6.456 -4.335 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.916 -8.518 -0.689 1.00 0.00 H new ATOM 0 HH TYR A 79 12.757 -7.348 -1.037 1.00 0.00 H new ATOM 1256 N HIS A 80 6.535 -11.483 -5.382 1.00 0.00 N ATOM 1257 CA HIS A 80 5.387 -12.349 -5.627 1.00 0.00 C ATOM 1258 C HIS A 80 4.726 -12.759 -4.315 1.00 0.00 C ATOM 1259 O HIS A 80 5.402 -12.990 -3.313 1.00 0.00 O ATOM 1260 CB HIS A 80 5.818 -13.593 -6.406 1.00 0.00 C ATOM 1261 CG HIS A 80 6.804 -13.306 -7.495 1.00 0.00 C ATOM 1262 ND1 HIS A 80 6.442 -12.794 -8.724 1.00 0.00 N ATOM 1263 CD2 HIS A 80 8.148 -13.460 -7.536 1.00 0.00 C ATOM 1264 CE1 HIS A 80 7.520 -12.648 -9.473 1.00 0.00 C ATOM 1265 NE2 HIS A 80 8.569 -13.045 -8.775 1.00 0.00 N ATOM 0 H HIS A 80 7.314 -11.939 -4.907 1.00 0.00 H new ATOM 0 HA HIS A 80 4.662 -11.791 -6.219 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.254 -14.313 -5.713 1.00 0.00 H new ATOM 0 HB3 HIS A 80 4.936 -14.063 -6.841 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.773 -13.839 -6.741 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.540 -12.269 -10.484 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.535 -13.043 -9.103 1.00 0.00 H new ATOM 1274 N PHE A 81 3.400 -12.847 -4.329 1.00 0.00 N ATOM 1275 CA PHE A 81 2.647 -13.227 -3.140 1.00 0.00 C ATOM 1276 C PHE A 81 1.474 -14.133 -3.505 1.00 0.00 C ATOM 1277 O PHE A 81 1.129 -14.275 -4.678 1.00 0.00 O ATOM 1278 CB PHE A 81 2.137 -11.981 -2.413 1.00 0.00 C ATOM 1279 CG PHE A 81 3.205 -11.253 -1.649 1.00 0.00 C ATOM 1280 CD1 PHE A 81 3.685 -11.758 -0.451 1.00 0.00 C ATOM 1281 CD2 PHE A 81 3.731 -10.065 -2.129 1.00 0.00 C ATOM 1282 CE1 PHE A 81 4.667 -11.089 0.255 1.00 0.00 C ATOM 1283 CE2 PHE A 81 4.715 -9.392 -1.429 1.00 0.00 C ATOM 1284 CZ PHE A 81 5.184 -9.906 -0.236 1.00 0.00 C ATOM 0 H PHE A 81 2.825 -12.660 -5.151 1.00 0.00 H new ATOM 0 HA PHE A 81 3.316 -13.777 -2.478 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.695 -11.301 -3.141 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.343 -12.271 -1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.287 -12.685 -0.065 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.368 -9.659 -3.062 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.030 -11.491 1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.116 -8.466 -1.814 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.954 -9.384 0.312 1.00 0.00 H new ATOM 1294 N GLN A 82 0.866 -14.742 -2.492 1.00 0.00 N ATOM 1295 CA GLN A 82 -0.267 -15.634 -2.707 1.00 0.00 C ATOM 1296 C GLN A 82 -1.097 -15.775 -1.435 1.00 0.00 C ATOM 1297 O GLN A 82 -0.559 -15.783 -0.329 1.00 0.00 O ATOM 1298 CB GLN A 82 0.220 -17.009 -3.167 1.00 0.00 C ATOM 1299 CG GLN A 82 0.357 -17.133 -4.676 1.00 0.00 C ATOM 1300 CD GLN A 82 0.156 -18.554 -5.165 1.00 0.00 C ATOM 1301 OE1 GLN A 82 -0.914 -18.905 -5.663 1.00 0.00 O ATOM 1302 NE2 GLN A 82 1.187 -19.379 -5.027 1.00 0.00 N ATOM 0 H GLN A 82 1.139 -14.634 -1.515 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.897 -15.201 -3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.185 -17.217 -2.705 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.475 -17.769 -2.810 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.371 -16.480 -5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.345 -16.785 -4.977 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.055 -19.045 -4.608 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.111 -20.347 -5.340 1.00 0.00 H new ATOM 1311 N ALA A 83 -2.411 -15.885 -1.602 1.00 0.00 N ATOM 1312 CA ALA A 83 -3.316 -16.027 -0.468 1.00 0.00 C ATOM 1313 C ALA A 83 -3.605 -17.496 -0.177 1.00 0.00 C ATOM 1314 O ALA A 83 -3.506 -18.344 -1.063 1.00 0.00 O ATOM 1315 CB ALA A 83 -4.612 -15.273 -0.729 1.00 0.00 C ATOM 0 H ALA A 83 -2.872 -15.878 -2.512 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.830 -15.599 0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.278 -15.388 0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.394 -14.216 -0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.093 -15.675 -1.621 1.00 0.00 H new ATOM 1321 N GLU A 84 -3.963 -17.788 1.069 1.00 0.00 N ATOM 1322 CA GLU A 84 -4.265 -19.156 1.476 1.00 0.00 C ATOM 1323 C GLU A 84 -5.721 -19.502 1.179 1.00 0.00 C ATOM 1324 O GLU A 84 -6.012 -20.510 0.535 1.00 0.00 O ATOM 1325 CB GLU A 84 -3.978 -19.343 2.967 1.00 0.00 C ATOM 1326 CG GLU A 84 -2.498 -19.340 3.307 1.00 0.00 C ATOM 1327 CD GLU A 84 -1.960 -17.945 3.561 1.00 0.00 C ATOM 1328 OE1 GLU A 84 -2.107 -17.452 4.699 1.00 0.00 O ATOM 1329 OE2 GLU A 84 -1.393 -17.347 2.623 1.00 0.00 O ATOM 0 H GLU A 84 -4.051 -17.097 1.814 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.626 -19.828 0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.472 -18.548 3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.416 -20.285 3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.331 -19.956 4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.940 -19.797 2.490 1.00 0.00 H new ATOM 1336 N ASP A 85 -6.632 -18.660 1.654 1.00 0.00 N ATOM 1337 CA ASP A 85 -8.059 -18.876 1.440 1.00 0.00 C ATOM 1338 C ASP A 85 -8.654 -17.762 0.585 1.00 0.00 C ATOM 1339 O ASP A 85 -8.096 -16.669 0.496 1.00 0.00 O ATOM 1340 CB ASP A 85 -8.791 -18.954 2.781 1.00 0.00 C ATOM 1341 CG ASP A 85 -10.286 -19.141 2.613 1.00 0.00 C ATOM 1342 OD1 ASP A 85 -10.691 -20.127 1.962 1.00 0.00 O ATOM 1343 OD2 ASP A 85 -11.052 -18.302 3.133 1.00 0.00 O ATOM 0 H ASP A 85 -6.408 -17.821 2.190 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.184 -19.821 0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.387 -19.781 3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.603 -18.042 3.348 1.00 0.00 H new ATOM 1348 N GLU A 86 -9.790 -18.049 -0.044 1.00 0.00 N ATOM 1349 CA GLU A 86 -10.460 -17.071 -0.893 1.00 0.00 C ATOM 1350 C GLU A 86 -10.683 -15.761 -0.144 1.00 0.00 C ATOM 1351 O GLU A 86 -10.455 -14.679 -0.684 1.00 0.00 O ATOM 1352 CB GLU A 86 -11.799 -17.624 -1.387 1.00 0.00 C ATOM 1353 CG GLU A 86 -12.220 -17.080 -2.742 1.00 0.00 C ATOM 1354 CD GLU A 86 -13.240 -17.963 -3.434 1.00 0.00 C ATOM 1355 OE1 GLU A 86 -14.319 -18.192 -2.849 1.00 0.00 O ATOM 1356 OE2 GLU A 86 -12.959 -18.425 -4.559 1.00 0.00 O ATOM 0 H GLU A 86 -10.265 -18.950 0.018 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.818 -16.873 -1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.734 -18.711 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.572 -17.389 -0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.637 -16.081 -2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.341 -16.980 -3.378 1.00 0.00 H new ATOM 1363 N GLN A 87 -11.131 -15.868 1.103 1.00 0.00 N ATOM 1364 CA GLN A 87 -11.386 -14.692 1.926 1.00 0.00 C ATOM 1365 C GLN A 87 -10.107 -13.889 2.140 1.00 0.00 C ATOM 1366 O GLN A 87 -10.140 -12.662 2.225 1.00 0.00 O ATOM 1367 CB GLN A 87 -11.975 -15.106 3.276 1.00 0.00 C ATOM 1368 CG GLN A 87 -13.470 -15.376 3.230 1.00 0.00 C ATOM 1369 CD GLN A 87 -14.135 -15.208 4.582 1.00 0.00 C ATOM 1370 OE1 GLN A 87 -13.463 -15.053 5.602 1.00 0.00 O ATOM 1371 NE2 GLN A 87 -15.463 -15.238 4.597 1.00 0.00 N ATOM 0 H GLN A 87 -11.325 -16.757 1.565 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.105 -14.062 1.402 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -11.463 -16.002 3.627 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -11.778 -14.320 4.005 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.936 -14.699 2.514 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.641 -16.390 2.869 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.980 -15.369 3.728 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.966 -15.130 5.478 1.00 0.00 H new ATOM 1380 N ASP A 88 -8.982 -14.591 2.227 1.00 0.00 N ATOM 1381 CA ASP A 88 -7.691 -13.943 2.431 1.00 0.00 C ATOM 1382 C ASP A 88 -7.318 -13.086 1.227 1.00 0.00 C ATOM 1383 O ASP A 88 -6.863 -11.951 1.377 1.00 0.00 O ATOM 1384 CB ASP A 88 -6.606 -14.991 2.684 1.00 0.00 C ATOM 1385 CG ASP A 88 -5.448 -14.441 3.493 1.00 0.00 C ATOM 1386 OD1 ASP A 88 -5.704 -13.764 4.510 1.00 0.00 O ATOM 1387 OD2 ASP A 88 -4.285 -14.687 3.109 1.00 0.00 O ATOM 0 H ASP A 88 -8.938 -15.608 2.160 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.770 -13.295 3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.041 -15.841 3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.234 -15.363 1.729 1.00 0.00 H new ATOM 1392 N TYR A 89 -7.511 -13.635 0.033 1.00 0.00 N ATOM 1393 CA TYR A 89 -7.191 -12.921 -1.198 1.00 0.00 C ATOM 1394 C TYR A 89 -8.115 -11.723 -1.389 1.00 0.00 C ATOM 1395 O TYR A 89 -7.664 -10.578 -1.434 1.00 0.00 O ATOM 1396 CB TYR A 89 -7.300 -13.861 -2.400 1.00 0.00 C ATOM 1397 CG TYR A 89 -7.273 -13.145 -3.732 1.00 0.00 C ATOM 1398 CD1 TYR A 89 -6.072 -12.904 -4.388 1.00 0.00 C ATOM 1399 CD2 TYR A 89 -8.448 -12.710 -4.333 1.00 0.00 C ATOM 1400 CE1 TYR A 89 -6.043 -12.250 -5.605 1.00 0.00 C ATOM 1401 CE2 TYR A 89 -8.427 -12.057 -5.550 1.00 0.00 C ATOM 1402 CZ TYR A 89 -7.222 -11.829 -6.182 1.00 0.00 C ATOM 1403 OH TYR A 89 -7.198 -11.178 -7.394 1.00 0.00 O ATOM 0 H TYR A 89 -7.888 -14.572 -0.109 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.166 -12.557 -1.121 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.480 -14.578 -2.366 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.226 -14.431 -2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.146 -13.233 -3.940 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.393 -12.885 -3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.101 -12.070 -6.102 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.349 -11.727 -6.005 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.113 -10.950 -7.661 1.00 0.00 H new ATOM 1413 N VAL A 90 -9.411 -11.995 -1.500 1.00 0.00 N ATOM 1414 CA VAL A 90 -10.401 -10.940 -1.684 1.00 0.00 C ATOM 1415 C VAL A 90 -10.144 -9.774 -0.736 1.00 0.00 C ATOM 1416 O VAL A 90 -10.150 -8.614 -1.147 1.00 0.00 O ATOM 1417 CB VAL A 90 -11.830 -11.466 -1.457 1.00 0.00 C ATOM 1418 CG1 VAL A 90 -12.847 -10.354 -1.664 1.00 0.00 C ATOM 1419 CG2 VAL A 90 -12.118 -12.641 -2.380 1.00 0.00 C ATOM 0 H VAL A 90 -9.800 -12.937 -1.466 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.308 -10.595 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.911 -11.814 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.851 -10.744 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.651 -9.546 -0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.768 -9.974 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.132 -13.000 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.019 -12.322 -3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.409 -13.444 -2.179 1.00 0.00 H new ATOM 1429 N ALA A 91 -9.917 -10.090 0.535 1.00 0.00 N ATOM 1430 CA ALA A 91 -9.655 -9.069 1.541 1.00 0.00 C ATOM 1431 C ALA A 91 -8.300 -8.407 1.312 1.00 0.00 C ATOM 1432 O ALA A 91 -8.223 -7.209 1.039 1.00 0.00 O ATOM 1433 CB ALA A 91 -9.720 -9.673 2.936 1.00 0.00 C ATOM 0 H ALA A 91 -9.909 -11.045 0.892 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.424 -8.302 1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.522 -8.899 3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.712 -10.092 3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.973 -10.461 3.026 1.00 0.00 H new ATOM 1439 N TRP A 92 -7.237 -9.193 1.425 1.00 0.00 N ATOM 1440 CA TRP A 92 -5.884 -8.683 1.231 1.00 0.00 C ATOM 1441 C TRP A 92 -5.853 -7.633 0.126 1.00 0.00 C ATOM 1442 O TRP A 92 -5.487 -6.481 0.362 1.00 0.00 O ATOM 1443 CB TRP A 92 -4.928 -9.827 0.892 1.00 0.00 C ATOM 1444 CG TRP A 92 -4.310 -10.463 2.101 1.00 0.00 C ATOM 1445 CD1 TRP A 92 -4.323 -11.789 2.427 1.00 0.00 C ATOM 1446 CD2 TRP A 92 -3.589 -9.798 3.144 1.00 0.00 C ATOM 1447 NE1 TRP A 92 -3.654 -11.988 3.610 1.00 0.00 N ATOM 1448 CE2 TRP A 92 -3.194 -10.783 4.070 1.00 0.00 C ATOM 1449 CE3 TRP A 92 -3.239 -8.467 3.385 1.00 0.00 C ATOM 1450 CZ2 TRP A 92 -2.466 -10.476 5.217 1.00 0.00 C ATOM 1451 CZ3 TRP A 92 -2.517 -8.164 4.525 1.00 0.00 C ATOM 1452 CH2 TRP A 92 -2.136 -9.165 5.428 1.00 0.00 C ATOM 0 H TRP A 92 -7.285 -10.187 1.650 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.562 -8.215 2.161 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.468 -10.587 0.327 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.137 -9.450 0.244 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -4.790 -12.567 1.841 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.521 -12.888 4.071 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -3.527 -7.689 2.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.172 -11.246 5.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.242 -7.138 4.722 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.571 -8.897 6.308 1.00 0.00 H new ATOM 1463 N ILE A 93 -6.238 -8.038 -1.080 1.00 0.00 N ATOM 1464 CA ILE A 93 -6.254 -7.130 -2.220 1.00 0.00 C ATOM 1465 C ILE A 93 -7.001 -5.843 -1.888 1.00 0.00 C ATOM 1466 O ILE A 93 -6.524 -4.745 -2.175 1.00 0.00 O ATOM 1467 CB ILE A 93 -6.906 -7.786 -3.452 1.00 0.00 C ATOM 1468 CG1 ILE A 93 -6.101 -9.011 -3.891 1.00 0.00 C ATOM 1469 CG2 ILE A 93 -7.017 -6.782 -4.590 1.00 0.00 C ATOM 1470 CD1 ILE A 93 -4.682 -8.686 -4.300 1.00 0.00 C ATOM 0 H ILE A 93 -6.543 -8.988 -1.292 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.215 -6.894 -2.451 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.910 -8.113 -3.183 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.079 -9.733 -3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.611 -9.490 -4.727 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.480 -7.260 -5.453 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.629 -5.938 -4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.022 -6.428 -4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.171 -9.601 -4.599 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.695 -7.988 -5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.155 -8.234 -3.459 1.00 0.00 H new ATOM 1482 N SER A 94 -8.174 -5.986 -1.280 1.00 0.00 N ATOM 1483 CA SER A 94 -8.989 -4.835 -0.910 1.00 0.00 C ATOM 1484 C SER A 94 -8.226 -3.911 0.034 1.00 0.00 C ATOM 1485 O SER A 94 -8.326 -2.687 -0.062 1.00 0.00 O ATOM 1486 CB SER A 94 -10.291 -5.295 -0.251 1.00 0.00 C ATOM 1487 OG SER A 94 -11.268 -5.622 -1.224 1.00 0.00 O ATOM 0 H SER A 94 -8.581 -6.888 -1.033 1.00 0.00 H new ATOM 0 HA SER A 94 -9.227 -4.282 -1.819 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.096 -6.163 0.379 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.671 -4.507 0.400 1.00 0.00 H new ATOM 0 HG SER A 94 -11.206 -6.575 -1.442 1.00 0.00 H new ATOM 1493 N VAL A 95 -7.464 -4.505 0.946 1.00 0.00 N ATOM 1494 CA VAL A 95 -6.683 -3.737 1.908 1.00 0.00 C ATOM 1495 C VAL A 95 -5.475 -3.089 1.242 1.00 0.00 C ATOM 1496 O VAL A 95 -5.423 -1.869 1.076 1.00 0.00 O ATOM 1497 CB VAL A 95 -6.200 -4.621 3.073 1.00 0.00 C ATOM 1498 CG1 VAL A 95 -6.115 -3.812 4.358 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -7.120 -5.820 3.248 1.00 0.00 C ATOM 0 H VAL A 95 -7.371 -5.516 1.039 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.339 -2.960 2.300 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.201 -4.989 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.772 -4.453 5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.413 -2.989 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.099 -3.413 4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.764 -6.434 4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.131 -5.474 3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.124 -6.412 2.333 1.00 0.00 H new ATOM 1509 N LEU A 96 -4.504 -3.912 0.862 1.00 0.00 N ATOM 1510 CA LEU A 96 -3.294 -3.419 0.212 1.00 0.00 C ATOM 1511 C LEU A 96 -3.600 -2.205 -0.660 1.00 0.00 C ATOM 1512 O LEU A 96 -2.952 -1.164 -0.544 1.00 0.00 O ATOM 1513 CB LEU A 96 -2.661 -4.524 -0.636 1.00 0.00 C ATOM 1514 CG LEU A 96 -2.220 -5.779 0.118 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -2.304 -7.000 -0.785 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -0.808 -5.609 0.658 1.00 0.00 C ATOM 0 H LEU A 96 -4.531 -4.923 0.993 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.591 -3.117 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.375 -4.819 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.793 -4.109 -1.149 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.894 -5.929 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.986 -7.884 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.332 -7.133 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.654 -6.859 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.511 -6.512 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.121 -5.434 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.779 -4.759 1.340 1.00 0.00 H new ATOM 1528 N THR A 97 -4.593 -2.345 -1.532 1.00 0.00 N ATOM 1529 CA THR A 97 -4.986 -1.260 -2.423 1.00 0.00 C ATOM 1530 C THR A 97 -5.596 -0.101 -1.642 1.00 0.00 C ATOM 1531 O THR A 97 -5.158 1.042 -1.766 1.00 0.00 O ATOM 1532 CB THR A 97 -5.998 -1.740 -3.481 1.00 0.00 C ATOM 1533 OG1 THR A 97 -5.707 -3.090 -3.859 1.00 0.00 O ATOM 1534 CG2 THR A 97 -5.961 -0.845 -4.710 1.00 0.00 C ATOM 0 H THR A 97 -5.140 -3.199 -1.640 1.00 0.00 H new ATOM 0 HA THR A 97 -4.080 -0.920 -2.925 1.00 0.00 H new ATOM 0 HB THR A 97 -6.996 -1.692 -3.046 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.338 -3.697 -3.417 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.684 -1.203 -5.443 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.211 0.177 -4.424 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.962 -0.866 -5.145 1.00 0.00 H new ATOM 1542 N ASN A 98 -6.610 -0.405 -0.837 1.00 0.00 N ATOM 1543 CA ASN A 98 -7.280 0.613 -0.036 1.00 0.00 C ATOM 1544 C ASN A 98 -6.265 1.470 0.715 1.00 0.00 C ATOM 1545 O ASN A 98 -6.087 2.649 0.410 1.00 0.00 O ATOM 1546 CB ASN A 98 -8.243 -0.042 0.956 1.00 0.00 C ATOM 1547 CG ASN A 98 -9.543 -0.471 0.303 1.00 0.00 C ATOM 1548 OD1 ASN A 98 -9.925 0.051 -0.745 1.00 0.00 O ATOM 1549 ND2 ASN A 98 -10.229 -1.425 0.921 1.00 0.00 N ATOM 0 H ASN A 98 -6.985 -1.347 -0.723 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.845 1.257 -0.710 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.762 -0.910 1.406 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.459 0.657 1.764 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.111 -1.754 0.529 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.874 -1.829 1.788 1.00 0.00 H new ATOM 1556 N SER A 99 -5.602 0.869 1.697 1.00 0.00 N ATOM 1557 CA SER A 99 -4.607 1.577 2.493 1.00 0.00 C ATOM 1558 C SER A 99 -3.824 2.564 1.632 1.00 0.00 C ATOM 1559 O SER A 99 -3.468 3.653 2.082 1.00 0.00 O ATOM 1560 CB SER A 99 -3.647 0.584 3.151 1.00 0.00 C ATOM 1561 OG SER A 99 -3.157 1.086 4.382 1.00 0.00 O ATOM 0 H SER A 99 -5.736 -0.107 1.961 1.00 0.00 H new ATOM 0 HA SER A 99 -5.130 2.134 3.270 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.158 -0.364 3.319 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.813 0.381 2.480 1.00 0.00 H new ATOM 0 HG SER A 99 -3.669 0.696 5.121 1.00 0.00 H new ATOM 1567 N LYS A 100 -3.558 2.174 0.390 1.00 0.00 N ATOM 1568 CA LYS A 100 -2.819 3.022 -0.537 1.00 0.00 C ATOM 1569 C LYS A 100 -3.634 4.254 -0.917 1.00 0.00 C ATOM 1570 O LYS A 100 -3.196 5.385 -0.714 1.00 0.00 O ATOM 1571 CB LYS A 100 -2.449 2.235 -1.796 1.00 0.00 C ATOM 1572 CG LYS A 100 -1.383 2.908 -2.643 1.00 0.00 C ATOM 1573 CD LYS A 100 -1.483 2.491 -4.101 1.00 0.00 C ATOM 1574 CE LYS A 100 -0.601 3.356 -4.990 1.00 0.00 C ATOM 1575 NZ LYS A 100 -0.690 2.951 -6.420 1.00 0.00 N ATOM 0 H LYS A 100 -3.844 1.275 0.002 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.907 3.351 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.098 1.245 -1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.344 2.091 -2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.485 3.990 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.396 2.653 -2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.190 1.446 -4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.519 2.565 -4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.896 4.400 -4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.434 3.284 -4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.075 3.564 -6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.384 1.962 -6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.673 3.044 -6.747 1.00 0.00 H new ATOM 1589 N GLU A 101 -4.823 4.025 -1.466 1.00 0.00 N ATOM 1590 CA GLU A 101 -5.699 5.117 -1.873 1.00 0.00 C ATOM 1591 C GLU A 101 -6.113 5.960 -0.669 1.00 0.00 C ATOM 1592 O GLU A 101 -5.889 7.169 -0.640 1.00 0.00 O ATOM 1593 CB GLU A 101 -6.942 4.569 -2.577 1.00 0.00 C ATOM 1594 CG GLU A 101 -6.632 3.809 -3.855 1.00 0.00 C ATOM 1595 CD GLU A 101 -7.797 2.961 -4.327 1.00 0.00 C ATOM 1596 OE1 GLU A 101 -8.712 3.518 -4.970 1.00 0.00 O ATOM 1597 OE2 GLU A 101 -7.795 1.743 -4.055 1.00 0.00 O ATOM 0 H GLU A 101 -5.201 3.094 -1.639 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.148 5.751 -2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.476 3.910 -1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.612 5.397 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -6.362 4.518 -4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -5.765 3.169 -3.692 1.00 0.00 H new ATOM 1604 N GLU A 102 -6.717 5.310 0.320 1.00 0.00 N ATOM 1605 CA GLU A 102 -7.164 5.999 1.525 1.00 0.00 C ATOM 1606 C GLU A 102 -6.036 6.838 2.121 1.00 0.00 C ATOM 1607 O GLU A 102 -6.277 7.737 2.926 1.00 0.00 O ATOM 1608 CB GLU A 102 -7.666 4.991 2.561 1.00 0.00 C ATOM 1609 CG GLU A 102 -8.919 4.248 2.129 1.00 0.00 C ATOM 1610 CD GLU A 102 -10.005 5.180 1.627 1.00 0.00 C ATOM 1611 OE1 GLU A 102 -10.217 6.236 2.257 1.00 0.00 O ATOM 1612 OE2 GLU A 102 -10.643 4.852 0.604 1.00 0.00 O ATOM 0 H GLU A 102 -6.908 4.308 0.311 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.983 6.663 1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.876 4.267 2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.868 5.514 3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.663 3.538 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.302 3.669 2.970 1.00 0.00 H new ATOM 1619 N ALA A 103 -4.806 6.535 1.721 1.00 0.00 N ATOM 1620 CA ALA A 103 -3.642 7.260 2.213 1.00 0.00 C ATOM 1621 C ALA A 103 -3.258 8.391 1.265 1.00 0.00 C ATOM 1622 O ALA A 103 -2.701 9.406 1.685 1.00 0.00 O ATOM 1623 CB ALA A 103 -2.470 6.310 2.405 1.00 0.00 C ATOM 0 H ALA A 103 -4.590 5.792 1.057 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.900 7.700 3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.608 6.866 2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.740 5.540 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.221 5.842 1.452 1.00 0.00 H new ATOM 1629 N LEU A 104 -3.559 8.210 -0.016 1.00 0.00 N ATOM 1630 CA LEU A 104 -3.244 9.215 -1.026 1.00 0.00 C ATOM 1631 C LEU A 104 -4.297 10.319 -1.041 1.00 0.00 C ATOM 1632 O LEU A 104 -3.969 11.506 -1.013 1.00 0.00 O ATOM 1633 CB LEU A 104 -3.149 8.567 -2.408 1.00 0.00 C ATOM 1634 CG LEU A 104 -1.844 7.831 -2.715 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -2.049 6.827 -3.838 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -0.746 8.821 -3.077 1.00 0.00 C ATOM 0 H LEU A 104 -4.021 7.377 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.281 9.659 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.974 7.863 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.292 9.342 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.537 7.288 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.110 6.313 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.804 6.099 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.380 7.348 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.175 8.280 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.046 9.391 -3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.580 9.502 -2.242 1.00 0.00 H new ATOM 1648 N THR A 105 -5.565 9.920 -1.085 1.00 0.00 N ATOM 1649 CA THR A 105 -6.666 10.875 -1.103 1.00 0.00 C ATOM 1650 C THR A 105 -6.557 11.862 0.054 1.00 0.00 C ATOM 1651 O THR A 105 -7.191 12.917 0.043 1.00 0.00 O ATOM 1652 CB THR A 105 -8.029 10.161 -1.026 1.00 0.00 C ATOM 1653 OG1 THR A 105 -9.089 11.111 -1.186 1.00 0.00 O ATOM 1654 CG2 THR A 105 -8.187 9.436 0.302 1.00 0.00 C ATOM 0 H THR A 105 -5.854 8.942 -1.109 1.00 0.00 H new ATOM 0 HA THR A 105 -6.600 11.417 -2.047 1.00 0.00 H new ATOM 0 HB THR A 105 -8.075 9.426 -1.830 1.00 0.00 H new ATOM 0 HG1 THR A 105 -8.815 11.973 -0.810 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.157 8.940 0.332 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.396 8.693 0.408 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.121 10.155 1.119 1.00 0.00 H new ATOM 1662 N MET A 106 -5.748 11.513 1.049 1.00 0.00 N ATOM 1663 CA MET A 106 -5.555 12.371 2.212 1.00 0.00 C ATOM 1664 C MET A 106 -4.224 13.111 2.127 1.00 0.00 C ATOM 1665 O MET A 106 -4.042 14.155 2.752 1.00 0.00 O ATOM 1666 CB MET A 106 -5.610 11.544 3.498 1.00 0.00 C ATOM 1667 CG MET A 106 -4.571 10.437 3.553 1.00 0.00 C ATOM 1668 SD MET A 106 -4.331 9.792 5.220 1.00 0.00 S ATOM 1669 CE MET A 106 -3.717 11.249 6.061 1.00 0.00 C ATOM 0 H MET A 106 -5.216 10.643 1.073 1.00 0.00 H new ATOM 0 HA MET A 106 -6.359 13.106 2.227 1.00 0.00 H new ATOM 0 HB2 MET A 106 -5.469 12.206 4.352 1.00 0.00 H new ATOM 0 HB3 MET A 106 -6.603 11.105 3.596 1.00 0.00 H new ATOM 0 HG2 MET A 106 -4.876 9.624 2.894 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.622 10.816 3.174 1.00 0.00 H new ATOM 0 HE1 MET A 106 -2.872 10.975 6.693 1.00 0.00 H new ATOM 0 HE2 MET A 106 -3.396 11.986 5.325 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.509 11.674 6.678 1.00 0.00 H new ATOM 1679 N ALA A 107 -3.296 12.563 1.349 1.00 0.00 N ATOM 1680 CA ALA A 107 -1.982 13.172 1.182 1.00 0.00 C ATOM 1681 C ALA A 107 -2.058 14.401 0.283 1.00 0.00 C ATOM 1682 O ALA A 107 -2.908 14.483 -0.604 1.00 0.00 O ATOM 1683 CB ALA A 107 -0.999 12.159 0.613 1.00 0.00 C ATOM 0 H ALA A 107 -3.430 11.698 0.825 1.00 0.00 H new ATOM 0 HA ALA A 107 -1.629 13.492 2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.022 12.627 0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -0.914 11.312 1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -1.355 11.811 -0.357 1.00 0.00 H new ATOM 1689 N PHE A 108 -1.164 15.356 0.517 1.00 0.00 N ATOM 1690 CA PHE A 108 -1.131 16.583 -0.271 1.00 0.00 C ATOM 1691 C PHE A 108 -0.784 16.285 -1.727 1.00 0.00 C ATOM 1692 O PHE A 108 0.251 15.687 -2.019 1.00 0.00 O ATOM 1693 CB PHE A 108 -0.115 17.564 0.317 1.00 0.00 C ATOM 1694 CG PHE A 108 -0.164 17.653 1.815 1.00 0.00 C ATOM 1695 CD1 PHE A 108 0.549 16.760 2.599 1.00 0.00 C ATOM 1696 CD2 PHE A 108 -0.923 18.629 2.440 1.00 0.00 C ATOM 1697 CE1 PHE A 108 0.504 16.839 3.978 1.00 0.00 C ATOM 1698 CE2 PHE A 108 -0.971 18.714 3.819 1.00 0.00 C ATOM 1699 CZ PHE A 108 -0.255 17.818 4.589 1.00 0.00 C ATOM 0 H PHE A 108 -0.453 15.304 1.246 1.00 0.00 H new ATOM 0 HA PHE A 108 -2.123 17.034 -0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 108 0.887 17.263 0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -0.292 18.554 -0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 108 1.146 15.994 2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.484 19.332 1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.062 16.135 4.578 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.567 19.479 4.293 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.289 17.883 5.667 1.00 0.00 H new ATOM 1709 N SER A 109 -1.659 16.705 -2.635 1.00 0.00 N ATOM 1710 CA SER A 109 -1.448 16.480 -4.060 1.00 0.00 C ATOM 1711 C SER A 109 -0.329 17.370 -4.591 1.00 0.00 C ATOM 1712 O SER A 109 0.523 16.924 -5.359 1.00 0.00 O ATOM 1713 CB SER A 109 -2.739 16.747 -4.836 1.00 0.00 C ATOM 1714 OG SER A 109 -2.761 16.024 -6.055 1.00 0.00 O ATOM 0 H SER A 109 -2.520 17.203 -2.409 1.00 0.00 H new ATOM 0 HA SER A 109 -1.157 15.439 -4.199 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.598 16.465 -4.227 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.830 17.814 -5.041 1.00 0.00 H new ATOM 0 HG SER A 109 -3.597 16.211 -6.531 1.00 0.00 H new ATOM 1720 N GLY A 110 -0.339 18.634 -4.177 1.00 0.00 N ATOM 1721 CA GLY A 110 0.680 19.568 -4.620 1.00 0.00 C ATOM 1722 C GLY A 110 1.276 20.362 -3.475 1.00 0.00 C ATOM 1723 O GLY A 110 0.891 21.503 -3.216 1.00 0.00 O ATOM 0 H GLY A 110 -1.034 19.027 -3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 110 1.473 19.021 -5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.247 20.255 -5.348 1.00 0.00 H new ATOM 1727 N PRO A 111 2.238 19.754 -2.765 1.00 0.00 N ATOM 1728 CA PRO A 111 2.908 20.394 -1.629 1.00 0.00 C ATOM 1729 C PRO A 111 3.815 21.540 -2.062 1.00 0.00 C ATOM 1730 O PRO A 111 4.322 21.554 -3.184 1.00 0.00 O ATOM 1731 CB PRO A 111 3.734 19.258 -1.020 1.00 0.00 C ATOM 1732 CG PRO A 111 3.969 18.314 -2.147 1.00 0.00 C ATOM 1733 CD PRO A 111 2.746 18.395 -3.018 1.00 0.00 C ATOM 0 HA PRO A 111 2.197 20.842 -0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 111 4.674 19.628 -0.611 1.00 0.00 H new ATOM 0 HB3 PRO A 111 3.199 18.774 -0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 111 4.864 18.588 -2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 111 4.120 17.299 -1.780 1.00 0.00 H new ATOM 0 HD2 PRO A 111 2.991 18.247 -4.070 1.00 0.00 H new ATOM 0 HD3 PRO A 111 2.011 17.635 -2.751 1.00 0.00 H new ATOM 1741 N SER A 112 4.017 22.500 -1.164 1.00 0.00 N ATOM 1742 CA SER A 112 4.862 23.653 -1.455 1.00 0.00 C ATOM 1743 C SER A 112 6.071 23.244 -2.291 1.00 0.00 C ATOM 1744 O SER A 112 6.664 22.188 -2.069 1.00 0.00 O ATOM 1745 CB SER A 112 5.326 24.312 -0.155 1.00 0.00 C ATOM 1746 OG SER A 112 4.233 24.880 0.547 1.00 0.00 O ATOM 0 H SER A 112 3.607 22.502 -0.230 1.00 0.00 H new ATOM 0 HA SER A 112 4.272 24.369 -2.027 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.822 23.573 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 112 6.061 25.086 -0.378 1.00 0.00 H new ATOM 0 HG SER A 112 4.555 25.293 1.375 1.00 0.00 H new ATOM 1752 N SER A 113 6.431 24.088 -3.252 1.00 0.00 N ATOM 1753 CA SER A 113 7.566 23.814 -4.125 1.00 0.00 C ATOM 1754 C SER A 113 8.881 23.947 -3.362 1.00 0.00 C ATOM 1755 O SER A 113 9.371 25.053 -3.136 1.00 0.00 O ATOM 1756 CB SER A 113 7.559 24.766 -5.322 1.00 0.00 C ATOM 1757 OG SER A 113 6.527 24.431 -6.233 1.00 0.00 O ATOM 0 H SER A 113 5.953 24.968 -3.446 1.00 0.00 H new ATOM 0 HA SER A 113 7.476 22.789 -4.486 1.00 0.00 H new ATOM 0 HB2 SER A 113 7.424 25.791 -4.975 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.523 24.725 -5.829 1.00 0.00 H new ATOM 0 HG SER A 113 6.542 25.055 -6.988 1.00 0.00 H new ATOM 1763 N GLY A 114 9.449 22.811 -2.969 1.00 0.00 N ATOM 1764 CA GLY A 114 10.701 22.822 -2.237 1.00 0.00 C ATOM 1765 C GLY A 114 11.511 21.558 -2.453 1.00 0.00 C ATOM 1766 O GLY A 114 12.593 21.402 -1.888 1.00 0.00 O ATOM 0 H GLY A 114 9.064 21.883 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.291 23.685 -2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.495 22.941 -1.173 1.00 0.00 H new TER 1770 GLY A 114