USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 821 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 80 GLN : amide:sc= -2.16 X(o=-1.6,f=-1.8) USER MOD Set 1.2: A 84 THR OG1 : rot 88:sc= 0.584 USER MOD Set 2.1: A 50 HIS : no HD1:sc= -0.248 X(o=-0.31,f=-0.025) USER MOD Set 2.2: A 105 CYS SG : rot 180:sc= -0.0664 USER MOD Set 3.1: A 44 SER OG : rot 25:sc= 1.36 USER MOD Set 3.2: A 51 SER OG : rot 179:sc= 0.219 USER MOD Set 3.3: A 52 THR OG1 : rot -20:sc= 1.21 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl -174:sc= -7.47! (180deg=-7.63) USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= 0.0742 (180deg=0.00972) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -2:sc= -0.806 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -39:sc= 0.184 USER MOD Single : A 65 TYR OH : rot 134:sc= 0.0282 USER MOD Single : A 66 ASN : amide:sc= -1.63 K(o=-1.6,f=-0.047) USER MOD Single : A 72 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.7!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.164 USER MOD Single : A 87 SER OG : rot -163:sc= 0.71 USER MOD Single : A 88 ASN : amide:sc=-0.00308 X(o=-0.0031,f=0) USER MOD Single : A 89 GLN : amide:sc= -2.87 K(o=-2.9,f=-1.7) USER MOD Single : A 90 LYS NZ :NH3+ 161:sc= -0.085 (180deg=-0.416) USER MOD Single : A 91 THR OG1 : rot 160:sc= 0.0775 USER MOD Single : A 94 ASN : amide:sc= -6.92! C(o=-6.9!,f=-7.4!) USER MOD Single : A 98 ASN : amide:sc= -11! C(o=-11!,f=-8.1!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.114 K(o=-0.11,f=-0.69) USER MOD Single : A 108 THR OG1 : rot -110:sc= -2.14 USER MOD Single : A 110 GLN : amide:sc= -0.375 K(o=-0.37,f=-3.1!) USER MOD Single : A 112 HIS : no HD1:sc= -3.04! C(o=-3!,f=-3.1!) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 ASN : amide:sc= -1.85 X(o=-1.8,f=-2) USER MOD Single : A 118 GLN : amide:sc= -2.19 K(o=-2.2,f=-5.7!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 23 0.537 0.139 -0.366 1.00 52.43 N ATOM 2 CA ALA A 23 1.533 0.144 -1.431 1.00 55.50 C ATOM 3 C ALA A 23 1.814 -1.270 -1.926 1.00 55.33 C ATOM 4 O ALA A 23 2.329 -1.460 -3.029 1.00 33.14 O ATOM 5 CB ALA A 23 2.817 0.802 -0.949 1.00 21.25 C ATOM 0 HA ALA A 23 1.134 0.720 -2.266 1.00 55.50 H new ATOM 0 HB1 ALA A 23 3.552 0.799 -1.754 1.00 21.25 H new ATOM 0 HB2 ALA A 23 2.610 1.830 -0.651 1.00 21.25 H new ATOM 0 HB3 ALA A 23 3.211 0.249 -0.096 1.00 21.25 H new ATOM 11 N ARG A 24 1.472 -2.258 -1.107 1.00 31.13 N ATOM 12 CA ARG A 24 1.689 -3.655 -1.461 1.00 62.35 C ATOM 13 C ARG A 24 1.116 -3.961 -2.842 1.00 54.41 C ATOM 14 O ARG A 24 1.629 -4.816 -3.562 1.00 51.10 O ATOM 15 CB ARG A 24 1.052 -4.574 -0.418 1.00 63.04 C ATOM 16 CG ARG A 24 -0.378 -4.198 -0.066 1.00 41.34 C ATOM 17 CD ARG A 24 -1.204 -5.422 0.293 1.00 72.14 C ATOM 18 NE ARG A 24 -1.774 -5.324 1.634 1.00 13.23 N ATOM 19 CZ ARG A 24 -1.068 -5.491 2.747 1.00 72.30 C ATOM 20 NH1 ARG A 24 0.227 -5.764 2.678 1.00 23.25 N ATOM 21 NH2 ARG A 24 -1.658 -5.385 3.930 1.00 22.34 N ATOM 0 H ARG A 24 1.043 -2.117 -0.192 1.00 31.13 H new ATOM 0 HA ARG A 24 2.764 -3.834 -1.484 1.00 62.35 H new ATOM 0 HB2 ARG A 24 1.068 -5.598 -0.791 1.00 63.04 H new ATOM 0 HB3 ARG A 24 1.657 -4.555 0.488 1.00 63.04 H new ATOM 0 HG2 ARG A 24 -0.376 -3.501 0.772 1.00 41.34 H new ATOM 0 HG3 ARG A 24 -0.838 -3.682 -0.909 1.00 41.34 H new ATOM 0 HD2 ARG A 24 -2.007 -5.543 -0.434 1.00 72.14 H new ATOM 0 HD3 ARG A 24 -0.579 -6.313 0.229 1.00 72.14 H new ATOM 0 HE ARG A 24 -2.769 -5.116 1.721 1.00 13.23 H new ATOM 0 HH11 ARG A 24 0.683 -5.846 1.769 1.00 23.25 H new ATOM 0 HH12 ARG A 24 0.768 -5.892 3.533 1.00 23.25 H new ATOM 0 HH21 ARG A 24 -2.655 -5.175 3.986 1.00 22.34 H new ATOM 0 HH22 ARG A 24 -1.115 -5.513 4.784 1.00 22.34 H new ATOM 35 N GLU A 25 0.048 -3.256 -3.203 1.00 1.43 N ATOM 36 CA GLU A 25 -0.596 -3.453 -4.497 1.00 31.31 C ATOM 37 C GLU A 25 0.212 -2.797 -5.613 1.00 24.44 C ATOM 38 O GLU A 25 0.290 -3.318 -6.725 1.00 41.40 O ATOM 39 CB GLU A 25 -2.016 -2.884 -4.477 1.00 1.41 C ATOM 40 CG GLU A 25 -2.069 -1.392 -4.191 1.00 31.32 C ATOM 41 CD GLU A 25 -3.488 -0.868 -4.088 1.00 62.35 C ATOM 42 OE1 GLU A 25 -4.148 -1.141 -3.063 1.00 44.23 O ATOM 43 OE2 GLU A 25 -3.939 -0.186 -5.032 1.00 22.45 O ATOM 0 H GLU A 25 -0.389 -2.544 -2.618 1.00 1.43 H new ATOM 0 HA GLU A 25 -0.645 -4.525 -4.690 1.00 31.31 H new ATOM 0 HB2 GLU A 25 -2.490 -3.078 -5.439 1.00 1.41 H new ATOM 0 HB3 GLU A 25 -2.599 -3.411 -3.722 1.00 1.41 H new ATOM 0 HG2 GLU A 25 -1.541 -1.185 -3.260 1.00 31.32 H new ATOM 0 HG3 GLU A 25 -1.544 -0.855 -4.981 1.00 31.32 H new ATOM 50 N GLU A 26 0.811 -1.650 -5.306 1.00 25.32 N ATOM 51 CA GLU A 26 1.612 -0.922 -6.283 1.00 75.32 C ATOM 52 C GLU A 26 2.711 -1.812 -6.856 1.00 44.03 C ATOM 53 O GLU A 26 2.978 -1.792 -8.059 1.00 4.42 O ATOM 54 CB GLU A 26 2.230 0.323 -5.644 1.00 14.43 C ATOM 55 CG GLU A 26 2.084 1.577 -6.489 1.00 64.00 C ATOM 56 CD GLU A 26 2.716 2.794 -5.841 1.00 23.00 C ATOM 57 OE1 GLU A 26 3.954 2.802 -5.675 1.00 73.51 O ATOM 58 OE2 GLU A 26 1.973 3.738 -5.499 1.00 64.43 O ATOM 0 H GLU A 26 0.757 -1.206 -4.389 1.00 25.32 H new ATOM 0 HA GLU A 26 0.955 -0.615 -7.097 1.00 75.32 H new ATOM 0 HB2 GLU A 26 1.763 0.493 -4.674 1.00 14.43 H new ATOM 0 HB3 GLU A 26 3.289 0.140 -5.461 1.00 14.43 H new ATOM 0 HG2 GLU A 26 2.543 1.409 -7.463 1.00 64.00 H new ATOM 0 HG3 GLU A 26 1.026 1.772 -6.664 1.00 64.00 H new ATOM 65 N LEU A 27 3.347 -2.591 -5.988 1.00 25.05 N ATOM 66 CA LEU A 27 4.419 -3.488 -6.407 1.00 12.13 C ATOM 67 C LEU A 27 3.909 -4.513 -7.415 1.00 13.15 C ATOM 68 O LEU A 27 4.399 -4.588 -8.541 1.00 42.20 O ATOM 69 CB LEU A 27 5.015 -4.202 -5.193 1.00 25.31 C ATOM 70 CG LEU A 27 5.853 -5.446 -5.491 1.00 34.12 C ATOM 71 CD1 LEU A 27 7.289 -5.246 -5.034 1.00 74.04 C ATOM 72 CD2 LEU A 27 5.244 -6.670 -4.822 1.00 64.31 C ATOM 0 H LEU A 27 3.139 -2.620 -4.990 1.00 25.05 H new ATOM 0 HA LEU A 27 5.194 -2.890 -6.886 1.00 12.13 H new ATOM 0 HB2 LEU A 27 5.637 -3.492 -4.648 1.00 25.31 H new ATOM 0 HB3 LEU A 27 4.200 -4.488 -4.528 1.00 25.31 H new ATOM 0 HG LEU A 27 5.857 -5.608 -6.569 1.00 34.12 H new ATOM 0 HD11 LEU A 27 7.869 -6.142 -5.255 1.00 74.04 H new ATOM 0 HD12 LEU A 27 7.723 -4.395 -5.559 1.00 74.04 H new ATOM 0 HD13 LEU A 27 7.306 -5.058 -3.961 1.00 74.04 H new ATOM 0 HD21 LEU A 27 5.853 -7.547 -5.044 1.00 64.31 H new ATOM 0 HD22 LEU A 27 5.210 -6.516 -3.743 1.00 64.31 H new ATOM 0 HD23 LEU A 27 4.233 -6.825 -5.199 1.00 64.31 H new ATOM 84 N ARG A 28 2.920 -5.298 -7.002 1.00 32.45 N ATOM 85 CA ARG A 28 2.342 -6.319 -7.869 1.00 12.52 C ATOM 86 C ARG A 28 1.879 -5.711 -9.190 1.00 14.22 C ATOM 87 O ARG A 28 1.990 -6.336 -10.245 1.00 33.03 O ATOM 88 CB ARG A 28 1.166 -7.005 -7.170 1.00 61.05 C ATOM 89 CG ARG A 28 0.858 -8.389 -7.718 1.00 21.14 C ATOM 90 CD ARG A 28 0.224 -8.315 -9.098 1.00 43.31 C ATOM 91 NE ARG A 28 -0.967 -9.153 -9.199 1.00 54.01 N ATOM 92 CZ ARG A 28 -1.935 -8.951 -10.086 1.00 61.02 C ATOM 93 NH1 ARG A 28 -1.853 -7.945 -10.944 1.00 44.12 N ATOM 94 NH2 ARG A 28 -2.988 -9.758 -10.116 1.00 14.13 N ATOM 0 H ARG A 28 2.502 -5.247 -6.073 1.00 32.45 H new ATOM 0 HA ARG A 28 3.113 -7.060 -8.081 1.00 12.52 H new ATOM 0 HB2 ARG A 28 1.383 -7.085 -6.105 1.00 61.05 H new ATOM 0 HB3 ARG A 28 0.280 -6.378 -7.268 1.00 61.05 H new ATOM 0 HG2 ARG A 28 1.777 -8.973 -7.770 1.00 21.14 H new ATOM 0 HG3 ARG A 28 0.187 -8.910 -7.036 1.00 21.14 H new ATOM 0 HD2 ARG A 28 -0.040 -7.281 -9.320 1.00 43.31 H new ATOM 0 HD3 ARG A 28 0.951 -8.627 -9.848 1.00 43.31 H new ATOM 0 HE ARG A 28 -1.061 -9.937 -8.553 1.00 54.01 H new ATOM 0 HH11 ARG A 28 -1.045 -7.323 -10.925 1.00 44.12 H new ATOM 0 HH12 ARG A 28 -2.598 -7.793 -11.624 1.00 44.12 H new ATOM 0 HH21 ARG A 28 -3.055 -10.534 -9.458 1.00 14.13 H new ATOM 0 HH22 ARG A 28 -3.731 -9.602 -10.797 1.00 14.13 H new ATOM 108 N ARG A 29 1.360 -4.489 -9.122 1.00 74.33 N ATOM 109 CA ARG A 29 0.878 -3.798 -10.313 1.00 10.54 C ATOM 110 C ARG A 29 2.029 -3.492 -11.266 1.00 52.13 C ATOM 111 O ARG A 29 1.820 -3.301 -12.465 1.00 62.10 O ATOM 112 CB ARG A 29 0.166 -2.501 -9.922 1.00 71.11 C ATOM 113 CG ARG A 29 -1.331 -2.526 -10.184 1.00 53.04 C ATOM 114 CD ARG A 29 -2.021 -3.613 -9.374 1.00 1.40 C ATOM 115 NE ARG A 29 -3.473 -3.571 -9.528 1.00 2.12 N ATOM 116 CZ ARG A 29 -4.241 -2.624 -9.001 1.00 63.41 C ATOM 117 NH1 ARG A 29 -3.698 -1.645 -8.290 1.00 75.32 N ATOM 118 NH2 ARG A 29 -5.555 -2.655 -9.185 1.00 1.34 N ATOM 0 H ARG A 29 1.263 -3.958 -8.257 1.00 74.33 H new ATOM 0 HA ARG A 29 0.171 -4.453 -10.823 1.00 10.54 H new ATOM 0 HB2 ARG A 29 0.338 -2.307 -8.863 1.00 71.11 H new ATOM 0 HB3 ARG A 29 0.609 -1.672 -10.474 1.00 71.11 H new ATOM 0 HG2 ARG A 29 -1.761 -1.556 -9.934 1.00 53.04 H new ATOM 0 HG3 ARG A 29 -1.513 -2.691 -11.246 1.00 53.04 H new ATOM 0 HD2 ARG A 29 -1.651 -4.589 -9.688 1.00 1.40 H new ATOM 0 HD3 ARG A 29 -1.765 -3.498 -8.321 1.00 1.40 H new ATOM 0 HE ARG A 29 -3.922 -4.309 -10.070 1.00 2.12 H new ATOM 0 HH11 ARG A 29 -2.688 -1.618 -8.147 1.00 75.32 H new ATOM 0 HH12 ARG A 29 -4.290 -0.919 -7.886 1.00 75.32 H new ATOM 0 HH21 ARG A 29 -5.976 -3.406 -9.731 1.00 1.34 H new ATOM 0 HH22 ARG A 29 -6.144 -1.927 -8.780 1.00 1.34 H new ATOM 132 N ARG A 30 3.241 -3.444 -10.726 1.00 24.04 N ATOM 133 CA ARG A 30 4.425 -3.160 -11.529 1.00 1.54 C ATOM 134 C ARG A 30 4.941 -4.425 -12.206 1.00 70.50 C ATOM 135 O ARG A 30 5.380 -4.393 -13.357 1.00 11.43 O ATOM 136 CB ARG A 30 5.525 -2.551 -10.656 1.00 31.12 C ATOM 137 CG ARG A 30 6.440 -1.597 -11.406 1.00 71.23 C ATOM 138 CD ARG A 30 7.900 -1.826 -11.046 1.00 12.23 C ATOM 139 NE ARG A 30 8.682 -0.595 -11.123 1.00 30.44 N ATOM 140 CZ ARG A 30 9.114 -0.069 -12.263 1.00 61.32 C ATOM 141 NH1 ARG A 30 8.841 -0.665 -13.417 1.00 0.33 N ATOM 142 NH2 ARG A 30 9.821 1.053 -12.253 1.00 33.04 N ATOM 0 H ARG A 30 3.430 -3.598 -9.736 1.00 24.04 H new ATOM 0 HA ARG A 30 4.145 -2.444 -12.302 1.00 1.54 H new ATOM 0 HB2 ARG A 30 5.064 -2.020 -9.824 1.00 31.12 H new ATOM 0 HB3 ARG A 30 6.124 -3.355 -10.228 1.00 31.12 H new ATOM 0 HG2 ARG A 30 6.304 -1.729 -12.479 1.00 71.23 H new ATOM 0 HG3 ARG A 30 6.164 -0.568 -11.174 1.00 71.23 H new ATOM 0 HD2 ARG A 30 7.965 -2.234 -10.037 1.00 12.23 H new ATOM 0 HD3 ARG A 30 8.327 -2.570 -11.719 1.00 12.23 H new ATOM 0 HE ARG A 30 8.909 -0.113 -10.253 1.00 30.44 H new ATOM 0 HH11 ARG A 30 8.298 -1.529 -13.429 1.00 0.33 H new ATOM 0 HH12 ARG A 30 9.174 -0.259 -14.292 1.00 0.33 H new ATOM 0 HH21 ARG A 30 10.034 1.514 -11.368 1.00 33.04 H new ATOM 0 HH22 ARG A 30 10.152 1.455 -13.130 1.00 33.04 H new ATOM 156 N LEU A 31 4.884 -5.541 -11.486 1.00 72.01 N ATOM 157 CA LEU A 31 5.345 -6.819 -12.017 1.00 41.01 C ATOM 158 C LEU A 31 4.463 -7.278 -13.173 1.00 63.10 C ATOM 159 O LEU A 31 4.946 -7.869 -14.139 1.00 11.22 O ATOM 160 CB LEU A 31 5.354 -7.879 -10.914 1.00 52.22 C ATOM 161 CG LEU A 31 5.830 -7.412 -9.538 1.00 4.10 C ATOM 162 CD1 LEU A 31 5.868 -8.577 -8.562 1.00 33.13 C ATOM 163 CD2 LEU A 31 7.200 -6.757 -9.642 1.00 62.11 C ATOM 0 H LEU A 31 4.523 -5.586 -10.533 1.00 72.01 H new ATOM 0 HA LEU A 31 6.360 -6.684 -12.390 1.00 41.01 H new ATOM 0 HB2 LEU A 31 4.344 -8.276 -10.811 1.00 52.22 H new ATOM 0 HB3 LEU A 31 5.990 -8.704 -11.236 1.00 52.22 H new ATOM 0 HG LEU A 31 5.123 -6.673 -9.162 1.00 4.10 H new ATOM 0 HD11 LEU A 31 6.209 -8.225 -7.588 1.00 33.13 H new ATOM 0 HD12 LEU A 31 4.869 -9.003 -8.464 1.00 33.13 H new ATOM 0 HD13 LEU A 31 6.553 -9.340 -8.932 1.00 33.13 H new ATOM 0 HD21 LEU A 31 7.523 -6.431 -8.654 1.00 62.11 H new ATOM 0 HD22 LEU A 31 7.917 -7.475 -10.040 1.00 62.11 H new ATOM 0 HD23 LEU A 31 7.142 -5.896 -10.307 1.00 62.11 H new ATOM 175 N ARG A 32 3.167 -7.002 -13.068 1.00 72.24 N ATOM 176 CA ARG A 32 2.218 -7.386 -14.105 1.00 34.21 C ATOM 177 C ARG A 32 2.203 -6.362 -15.237 1.00 25.22 C ATOM 178 O ARG A 32 1.879 -6.688 -16.378 1.00 35.31 O ATOM 179 CB ARG A 32 0.814 -7.527 -13.514 1.00 70.52 C ATOM 180 CG ARG A 32 0.405 -8.968 -13.252 1.00 30.00 C ATOM 181 CD ARG A 32 0.392 -9.786 -14.534 1.00 51.52 C ATOM 182 NE ARG A 32 -0.789 -10.639 -14.627 1.00 42.22 N ATOM 183 CZ ARG A 32 -1.039 -11.439 -15.658 1.00 30.13 C ATOM 184 NH1 ARG A 32 -0.193 -11.494 -16.678 1.00 74.15 N ATOM 185 NH2 ARG A 32 -2.136 -12.186 -15.670 1.00 42.23 N ATOM 0 H ARG A 32 2.751 -6.514 -12.275 1.00 72.24 H new ATOM 0 HA ARG A 32 2.533 -8.347 -14.512 1.00 34.21 H new ATOM 0 HB2 ARG A 32 0.765 -6.969 -12.579 1.00 70.52 H new ATOM 0 HB3 ARG A 32 0.095 -7.072 -14.195 1.00 70.52 H new ATOM 0 HG2 ARG A 32 1.095 -9.419 -12.538 1.00 30.00 H new ATOM 0 HG3 ARG A 32 -0.585 -8.989 -12.796 1.00 30.00 H new ATOM 0 HD2 ARG A 32 0.423 -9.115 -15.392 1.00 51.52 H new ATOM 0 HD3 ARG A 32 1.289 -10.403 -14.579 1.00 51.52 H new ATOM 0 HE ARG A 32 -1.459 -10.620 -13.858 1.00 42.22 H new ATOM 0 HH11 ARG A 32 0.651 -10.922 -16.672 1.00 74.15 H new ATOM 0 HH12 ARG A 32 -0.387 -12.109 -17.469 1.00 74.15 H new ATOM 0 HH21 ARG A 32 -2.789 -12.146 -14.887 1.00 42.23 H new ATOM 0 HH22 ARG A 32 -2.327 -12.800 -16.462 1.00 42.23 H new ATOM 199 N ASP A 33 2.559 -5.124 -14.910 1.00 75.12 N ATOM 200 CA ASP A 33 2.587 -4.052 -15.899 1.00 50.02 C ATOM 201 C ASP A 33 3.841 -4.144 -16.763 1.00 73.35 C ATOM 202 O ASP A 33 3.800 -3.874 -17.965 1.00 42.43 O ATOM 203 CB ASP A 33 2.529 -2.689 -15.207 1.00 21.22 C ATOM 204 CG ASP A 33 2.568 -1.537 -16.192 1.00 20.24 C ATOM 205 OD1 ASP A 33 1.491 -1.142 -16.684 1.00 15.53 O ATOM 206 OD2 ASP A 33 3.675 -1.032 -16.470 1.00 31.10 O ATOM 0 H ASP A 33 2.832 -4.838 -13.970 1.00 75.12 H new ATOM 0 HA ASP A 33 1.714 -4.161 -16.543 1.00 50.02 H new ATOM 0 HB2 ASP A 33 1.617 -2.625 -14.613 1.00 21.22 H new ATOM 0 HB3 ASP A 33 3.367 -2.600 -14.515 1.00 21.22 H new ATOM 211 N LEU A 34 4.952 -4.527 -16.146 1.00 24.33 N ATOM 212 CA LEU A 34 6.219 -4.654 -16.859 1.00 34.21 C ATOM 213 C LEU A 34 6.083 -5.604 -18.044 1.00 23.52 C ATOM 214 O LEU A 34 6.875 -5.554 -18.987 1.00 34.23 O ATOM 215 CB LEU A 34 7.312 -5.153 -15.912 1.00 14.50 C ATOM 216 CG LEU A 34 8.393 -4.138 -15.542 1.00 23.10 C ATOM 217 CD1 LEU A 34 9.510 -4.810 -14.757 1.00 1.23 C ATOM 218 CD2 LEU A 34 8.946 -3.467 -16.791 1.00 11.51 C ATOM 0 H LEU A 34 5.002 -4.755 -15.153 1.00 24.33 H new ATOM 0 HA LEU A 34 6.496 -3.670 -17.236 1.00 34.21 H new ATOM 0 HB2 LEU A 34 6.839 -5.501 -14.994 1.00 14.50 H new ATOM 0 HB3 LEU A 34 7.794 -6.017 -16.369 1.00 14.50 H new ATOM 0 HG LEU A 34 7.943 -3.371 -14.911 1.00 23.10 H new ATOM 0 HD11 LEU A 34 10.271 -4.072 -14.502 1.00 1.23 H new ATOM 0 HD12 LEU A 34 9.103 -5.242 -13.843 1.00 1.23 H new ATOM 0 HD13 LEU A 34 9.957 -5.598 -15.363 1.00 1.23 H new ATOM 0 HD21 LEU A 34 9.714 -2.748 -16.508 1.00 11.51 H new ATOM 0 HD22 LEU A 34 9.380 -4.221 -17.448 1.00 11.51 H new ATOM 0 HD23 LEU A 34 8.141 -2.951 -17.314 1.00 11.51 H new ATOM 230 N ILE A 35 5.076 -6.469 -17.990 1.00 60.51 N ATOM 231 CA ILE A 35 4.836 -7.430 -19.061 1.00 1.33 C ATOM 232 C ILE A 35 4.320 -6.734 -20.316 1.00 61.52 C ATOM 233 O ILE A 35 4.465 -7.248 -21.425 1.00 2.00 O ATOM 234 CB ILE A 35 3.823 -8.508 -18.632 1.00 44.13 C ATOM 235 CG1 ILE A 35 4.252 -9.143 -17.308 1.00 34.12 C ATOM 236 CG2 ILE A 35 3.689 -9.568 -19.715 1.00 50.22 C ATOM 237 CD1 ILE A 35 5.550 -9.915 -17.400 1.00 55.01 C ATOM 0 H ILE A 35 4.413 -6.525 -17.217 1.00 60.51 H new ATOM 0 HA ILE A 35 5.791 -7.907 -19.279 1.00 1.33 H new ATOM 0 HB ILE A 35 2.851 -8.037 -18.489 1.00 44.13 H new ATOM 0 HG12 ILE A 35 4.357 -8.361 -16.556 1.00 34.12 H new ATOM 0 HG13 ILE A 35 3.464 -9.813 -16.964 1.00 34.12 H new ATOM 0 HG21 ILE A 35 2.970 -10.323 -19.398 1.00 50.22 H new ATOM 0 HG22 ILE A 35 3.344 -9.103 -20.638 1.00 50.22 H new ATOM 0 HG23 ILE A 35 4.657 -10.038 -19.886 1.00 50.22 H new ATOM 0 HD11 ILE A 35 5.792 -10.337 -16.425 1.00 55.01 H new ATOM 0 HD12 ILE A 35 5.444 -10.720 -18.128 1.00 55.01 H new ATOM 0 HD13 ILE A 35 6.350 -9.245 -17.714 1.00 55.01 H new ATOM 249 N GLU A 36 3.720 -5.563 -20.134 1.00 4.22 N ATOM 250 CA GLU A 36 3.184 -4.797 -21.253 1.00 71.21 C ATOM 251 C GLU A 36 4.196 -3.763 -21.739 1.00 61.31 C ATOM 252 O GLU A 36 4.289 -3.483 -22.933 1.00 30.11 O ATOM 253 CB GLU A 36 1.883 -4.102 -20.847 1.00 51.33 C ATOM 254 CG GLU A 36 0.920 -5.004 -20.095 1.00 12.21 C ATOM 255 CD GLU A 36 -0.532 -4.708 -20.421 1.00 25.33 C ATOM 256 OE1 GLU A 36 -0.826 -3.567 -20.836 1.00 65.33 O ATOM 257 OE2 GLU A 36 -1.374 -5.617 -20.261 1.00 4.43 O ATOM 0 H GLU A 36 3.593 -5.124 -19.222 1.00 4.22 H new ATOM 0 HA GLU A 36 2.978 -5.490 -22.069 1.00 71.21 H new ATOM 0 HB2 GLU A 36 2.121 -3.239 -20.224 1.00 51.33 H new ATOM 0 HB3 GLU A 36 1.389 -3.723 -21.742 1.00 51.33 H new ATOM 0 HG2 GLU A 36 1.138 -6.044 -20.337 1.00 12.21 H new ATOM 0 HG3 GLU A 36 1.079 -4.886 -19.023 1.00 12.21 H new ATOM 264 N GLY A 37 4.952 -3.198 -20.803 1.00 23.14 N ATOM 265 CA GLY A 37 5.947 -2.202 -21.154 1.00 5.40 C ATOM 266 C GLY A 37 6.989 -2.737 -22.116 1.00 50.51 C ATOM 267 O GLY A 37 7.636 -1.970 -22.829 1.00 60.23 O ATOM 0 H GLY A 37 4.893 -3.412 -19.808 1.00 23.14 H new ATOM 0 HA2 GLY A 37 5.452 -1.340 -21.602 1.00 5.40 H new ATOM 0 HA3 GLY A 37 6.440 -1.851 -20.248 1.00 5.40 H new ATOM 271 N ASN A 38 7.154 -4.055 -22.135 1.00 34.24 N ATOM 272 CA ASN A 38 8.127 -4.691 -23.015 1.00 23.11 C ATOM 273 C ASN A 38 7.570 -5.988 -23.595 1.00 61.05 C ATOM 274 O ASN A 38 6.817 -6.702 -22.934 1.00 14.33 O ATOM 275 CB ASN A 38 9.424 -4.975 -22.256 1.00 22.44 C ATOM 276 CG ASN A 38 10.532 -4.006 -22.619 1.00 54.15 C ATOM 277 OD1 ASN A 38 11.001 -3.980 -23.758 1.00 34.51 O ATOM 278 ND2 ASN A 38 10.957 -3.201 -21.651 1.00 75.42 N ATOM 0 H ASN A 38 6.626 -4.704 -21.551 1.00 34.24 H new ATOM 0 HA ASN A 38 8.337 -4.007 -23.837 1.00 23.11 H new ATOM 0 HB2 ASN A 38 9.234 -4.920 -21.184 1.00 22.44 H new ATOM 0 HB3 ASN A 38 9.751 -5.993 -22.470 1.00 22.44 H new ATOM 0 HD21 ASN A 38 11.700 -2.528 -21.837 1.00 75.42 H new ATOM 0 HD22 ASN A 38 10.540 -3.257 -20.722 1.00 75.42 H new ATOM 285 N ARG A 39 7.946 -6.284 -24.835 1.00 20.41 N ATOM 286 CA ARG A 39 7.483 -7.494 -25.504 1.00 25.52 C ATOM 287 C ARG A 39 7.675 -8.717 -24.611 1.00 14.52 C ATOM 288 O ARG A 39 6.723 -9.441 -24.321 1.00 34.03 O ATOM 289 CB ARG A 39 8.234 -7.691 -26.824 1.00 13.34 C ATOM 290 CG ARG A 39 7.876 -8.983 -27.540 1.00 3.30 C ATOM 291 CD ARG A 39 6.474 -8.926 -28.124 1.00 71.45 C ATOM 292 NE ARG A 39 6.428 -8.156 -29.363 1.00 55.14 N ATOM 293 CZ ARG A 39 5.368 -8.115 -30.165 1.00 5.20 C ATOM 294 NH1 ARG A 39 4.274 -8.796 -29.856 1.00 73.22 N ATOM 295 NH2 ARG A 39 5.403 -7.391 -31.276 1.00 1.41 N ATOM 0 H ARG A 39 8.569 -5.703 -25.396 1.00 20.41 H new ATOM 0 HA ARG A 39 6.419 -7.380 -25.711 1.00 25.52 H new ATOM 0 HB2 ARG A 39 8.021 -6.849 -27.483 1.00 13.34 H new ATOM 0 HB3 ARG A 39 9.306 -7.679 -26.628 1.00 13.34 H new ATOM 0 HG2 ARG A 39 8.596 -9.170 -28.337 1.00 3.30 H new ATOM 0 HG3 ARG A 39 7.947 -9.818 -26.843 1.00 3.30 H new ATOM 0 HD2 ARG A 39 6.119 -9.939 -28.313 1.00 71.45 H new ATOM 0 HD3 ARG A 39 5.796 -8.481 -27.396 1.00 71.45 H new ATOM 0 HE ARG A 39 7.254 -7.620 -29.628 1.00 55.14 H new ATOM 0 HH11 ARG A 39 4.244 -9.353 -29.002 1.00 73.22 H new ATOM 0 HH12 ARG A 39 3.462 -8.763 -30.472 1.00 73.22 H new ATOM 0 HH21 ARG A 39 6.243 -6.865 -31.516 1.00 1.41 H new ATOM 0 HH22 ARG A 39 4.589 -7.360 -31.891 1.00 1.41 H new ATOM 309 N VAL A 40 8.912 -8.941 -24.179 1.00 11.42 N ATOM 310 CA VAL A 40 9.228 -10.074 -23.318 1.00 52.14 C ATOM 311 C VAL A 40 9.777 -9.608 -21.975 1.00 61.51 C ATOM 312 O VAL A 40 10.742 -8.848 -21.919 1.00 4.42 O ATOM 313 CB VAL A 40 10.253 -11.014 -23.983 1.00 13.53 C ATOM 314 CG1 VAL A 40 10.491 -12.241 -23.116 1.00 51.32 C ATOM 315 CG2 VAL A 40 9.784 -11.416 -25.373 1.00 0.43 C ATOM 0 H VAL A 40 9.712 -8.352 -24.411 1.00 11.42 H new ATOM 0 HA VAL A 40 8.298 -10.619 -23.156 1.00 52.14 H new ATOM 0 HB VAL A 40 11.198 -10.480 -24.084 1.00 13.53 H new ATOM 0 HG11 VAL A 40 11.217 -12.894 -23.601 1.00 51.32 H new ATOM 0 HG12 VAL A 40 10.874 -11.931 -22.144 1.00 51.32 H new ATOM 0 HG13 VAL A 40 9.553 -12.779 -22.981 1.00 51.32 H new ATOM 0 HG21 VAL A 40 10.520 -12.079 -25.828 1.00 0.43 H new ATOM 0 HG22 VAL A 40 8.827 -11.932 -25.299 1.00 0.43 H new ATOM 0 HG23 VAL A 40 9.669 -10.525 -25.990 1.00 0.43 H new ATOM 325 N MET A 41 9.156 -10.071 -20.895 1.00 42.23 N ATOM 326 CA MET A 41 9.584 -9.703 -19.551 1.00 72.34 C ATOM 327 C MET A 41 9.700 -10.936 -18.660 1.00 44.43 C ATOM 328 O MET A 41 8.766 -11.732 -18.561 1.00 41.23 O ATOM 329 CB MET A 41 8.601 -8.705 -18.935 1.00 43.12 C ATOM 330 CG MET A 41 9.192 -7.899 -17.788 1.00 72.43 C ATOM 331 SD MET A 41 9.788 -6.281 -18.313 1.00 31.25 S ATOM 332 CE MET A 41 10.558 -6.693 -19.876 1.00 61.33 C ATOM 0 H MET A 41 8.355 -10.702 -20.925 1.00 42.23 H new ATOM 0 HA MET A 41 10.566 -9.236 -19.625 1.00 72.34 H new ATOM 0 HB2 MET A 41 8.257 -8.020 -19.710 1.00 43.12 H new ATOM 0 HB3 MET A 41 7.725 -9.245 -18.575 1.00 43.12 H new ATOM 0 HG2 MET A 41 8.437 -7.770 -17.013 1.00 72.43 H new ATOM 0 HG3 MET A 41 10.015 -8.458 -17.342 1.00 72.43 H new ATOM 0 HE1 MET A 41 11.067 -5.815 -20.274 1.00 61.33 H new ATOM 0 HE2 MET A 41 11.281 -7.494 -19.725 1.00 61.33 H new ATOM 0 HE3 MET A 41 9.795 -7.021 -20.582 1.00 61.33 H new ATOM 342 N ILE A 42 10.852 -11.088 -18.016 1.00 62.32 N ATOM 343 CA ILE A 42 11.090 -12.224 -17.134 1.00 73.12 C ATOM 344 C ILE A 42 11.730 -11.779 -15.824 1.00 43.51 C ATOM 345 O ILE A 42 12.415 -10.757 -15.772 1.00 3.20 O ATOM 346 CB ILE A 42 11.993 -13.277 -17.803 1.00 11.24 C ATOM 347 CG1 ILE A 42 13.411 -12.730 -17.971 1.00 42.34 C ATOM 348 CG2 ILE A 42 11.415 -13.694 -19.147 1.00 44.42 C ATOM 349 CD1 ILE A 42 13.612 -11.956 -19.256 1.00 33.12 C ATOM 0 H ILE A 42 11.635 -10.439 -18.088 1.00 62.32 H new ATOM 0 HA ILE A 42 10.118 -12.671 -16.926 1.00 73.12 H new ATOM 0 HB ILE A 42 12.038 -14.157 -17.162 1.00 11.24 H new ATOM 0 HG12 ILE A 42 13.644 -12.082 -17.126 1.00 42.34 H new ATOM 0 HG13 ILE A 42 14.118 -13.559 -17.942 1.00 42.34 H new ATOM 0 HG21 ILE A 42 12.065 -14.439 -19.607 1.00 44.42 H new ATOM 0 HG22 ILE A 42 10.422 -14.120 -19.000 1.00 44.42 H new ATOM 0 HG23 ILE A 42 11.343 -12.823 -19.798 1.00 44.42 H new ATOM 0 HD11 ILE A 42 14.640 -11.598 -19.308 1.00 33.12 H new ATOM 0 HD12 ILE A 42 13.411 -12.606 -20.108 1.00 33.12 H new ATOM 0 HD13 ILE A 42 12.930 -11.106 -19.279 1.00 33.12 H new ATOM 361 N PHE A 43 11.504 -12.552 -14.768 1.00 20.44 N ATOM 362 CA PHE A 43 12.060 -12.238 -13.456 1.00 41.24 C ATOM 363 C PHE A 43 12.980 -13.356 -12.974 1.00 25.02 C ATOM 364 O PHE A 43 12.755 -14.530 -13.268 1.00 11.35 O ATOM 365 CB PHE A 43 10.936 -12.014 -12.443 1.00 72.22 C ATOM 366 CG PHE A 43 10.076 -10.823 -12.754 1.00 13.31 C ATOM 367 CD1 PHE A 43 9.259 -10.815 -13.873 1.00 32.32 C ATOM 368 CD2 PHE A 43 10.085 -9.710 -11.928 1.00 22.22 C ATOM 369 CE1 PHE A 43 8.466 -9.720 -14.163 1.00 1.01 C ATOM 370 CE2 PHE A 43 9.295 -8.613 -12.213 1.00 35.35 C ATOM 371 CZ PHE A 43 8.485 -8.617 -13.332 1.00 30.14 C ATOM 0 H PHE A 43 10.939 -13.401 -14.794 1.00 20.44 H new ATOM 0 HA PHE A 43 12.646 -11.323 -13.546 1.00 41.24 H new ATOM 0 HB2 PHE A 43 10.309 -12.905 -12.406 1.00 72.22 H new ATOM 0 HB3 PHE A 43 11.371 -11.889 -11.452 1.00 72.22 H new ATOM 0 HD1 PHE A 43 9.241 -11.675 -14.527 1.00 32.32 H new ATOM 0 HD2 PHE A 43 10.717 -9.700 -11.052 1.00 22.22 H new ATOM 0 HE1 PHE A 43 7.833 -9.727 -15.038 1.00 1.01 H new ATOM 0 HE2 PHE A 43 9.311 -7.752 -11.561 1.00 35.35 H new ATOM 0 HZ PHE A 43 7.868 -7.760 -13.557 1.00 30.14 H new ATOM 381 N SER A 44 14.018 -12.981 -12.233 1.00 33.00 N ATOM 382 CA SER A 44 14.975 -13.950 -11.713 1.00 41.11 C ATOM 383 C SER A 44 15.570 -13.471 -10.393 1.00 25.31 C ATOM 384 O SER A 44 15.057 -12.544 -9.767 1.00 4.04 O ATOM 385 CB SER A 44 16.092 -14.193 -12.731 1.00 53.13 C ATOM 386 OG SER A 44 16.278 -15.578 -12.964 1.00 53.11 O ATOM 0 H SER A 44 14.217 -12.013 -11.980 1.00 33.00 H new ATOM 0 HA SER A 44 14.446 -14.886 -11.535 1.00 41.11 H new ATOM 0 HB2 SER A 44 15.849 -13.693 -13.668 1.00 53.13 H new ATOM 0 HB3 SER A 44 17.021 -13.754 -12.367 1.00 53.13 H new ATOM 0 HG SER A 44 15.450 -16.059 -12.756 1.00 53.11 H new ATOM 392 N LYS A 45 16.658 -14.110 -9.975 1.00 4.42 N ATOM 393 CA LYS A 45 17.327 -13.750 -8.731 1.00 24.24 C ATOM 394 C LYS A 45 18.843 -13.780 -8.898 1.00 54.42 C ATOM 395 O LYS A 45 19.350 -13.947 -10.008 1.00 4.33 O ATOM 396 CB LYS A 45 16.909 -14.704 -7.609 1.00 41.40 C ATOM 397 CG LYS A 45 15.693 -14.232 -6.831 1.00 12.24 C ATOM 398 CD LYS A 45 15.835 -14.519 -5.346 1.00 43.41 C ATOM 399 CE LYS A 45 14.865 -15.599 -4.891 1.00 44.54 C ATOM 400 NZ LYS A 45 15.353 -16.305 -3.675 1.00 25.14 N ATOM 0 H LYS A 45 17.095 -14.881 -10.481 1.00 4.42 H new ATOM 0 HA LYS A 45 17.028 -12.735 -8.469 1.00 24.24 H new ATOM 0 HB2 LYS A 45 16.698 -15.684 -8.037 1.00 41.40 H new ATOM 0 HB3 LYS A 45 17.744 -14.830 -6.920 1.00 41.40 H new ATOM 0 HG2 LYS A 45 15.555 -13.162 -6.984 1.00 12.24 H new ATOM 0 HG3 LYS A 45 14.800 -14.726 -7.214 1.00 12.24 H new ATOM 0 HD2 LYS A 45 16.857 -14.832 -5.131 1.00 43.41 H new ATOM 0 HD3 LYS A 45 15.656 -13.605 -4.779 1.00 43.41 H new ATOM 0 HE2 LYS A 45 13.893 -15.151 -4.685 1.00 44.54 H new ATOM 0 HE3 LYS A 45 14.720 -16.320 -5.696 1.00 44.54 H new ATOM 0 HZ1 LYS A 45 14.552 -16.761 -3.194 1.00 25.14 H new ATOM 0 HZ2 LYS A 45 16.049 -17.027 -3.949 1.00 25.14 H new ATOM 0 HZ3 LYS A 45 15.799 -15.620 -3.032 1.00 25.14 H new ATOM 414 N SER A 46 19.560 -13.617 -7.791 1.00 35.53 N ATOM 415 CA SER A 46 21.018 -13.624 -7.817 1.00 55.51 C ATOM 416 C SER A 46 21.553 -15.046 -7.950 1.00 24.33 C ATOM 417 O SER A 46 22.371 -15.334 -8.824 1.00 30.31 O ATOM 418 CB SER A 46 21.574 -12.974 -6.548 1.00 53.33 C ATOM 419 OG SER A 46 22.974 -12.779 -6.646 1.00 62.55 O ATOM 0 H SER A 46 19.155 -13.478 -6.865 1.00 35.53 H new ATOM 0 HA SER A 46 21.344 -13.050 -8.684 1.00 55.51 H new ATOM 0 HB2 SER A 46 21.081 -12.016 -6.380 1.00 53.33 H new ATOM 0 HB3 SER A 46 21.351 -13.603 -5.686 1.00 53.33 H new ATOM 0 HG SER A 46 23.304 -12.361 -5.824 1.00 62.55 H new ATOM 425 N TYR A 47 21.086 -15.932 -7.077 1.00 54.42 N ATOM 426 CA TYR A 47 21.517 -17.323 -7.094 1.00 64.42 C ATOM 427 C TYR A 47 20.318 -18.267 -7.106 1.00 50.32 C ATOM 428 O TYR A 47 20.064 -18.978 -6.133 1.00 53.40 O ATOM 429 CB TYR A 47 22.402 -17.620 -5.882 1.00 60.31 C ATOM 430 CG TYR A 47 22.086 -16.763 -4.678 1.00 41.10 C ATOM 431 CD1 TYR A 47 20.951 -16.998 -3.912 1.00 15.21 C ATOM 432 CD2 TYR A 47 22.921 -15.717 -4.306 1.00 1.22 C ATOM 433 CE1 TYR A 47 20.656 -16.216 -2.811 1.00 63.11 C ATOM 434 CE2 TYR A 47 22.637 -14.932 -3.206 1.00 14.02 C ATOM 435 CZ TYR A 47 21.503 -15.185 -2.462 1.00 61.43 C ATOM 436 OH TYR A 47 21.215 -14.404 -1.366 1.00 4.14 O ATOM 0 H TYR A 47 20.408 -15.710 -6.348 1.00 54.42 H new ATOM 0 HA TYR A 47 22.093 -17.486 -8.005 1.00 64.42 H new ATOM 0 HB2 TYR A 47 22.291 -18.670 -5.610 1.00 60.31 H new ATOM 0 HB3 TYR A 47 23.446 -17.472 -6.159 1.00 60.31 H new ATOM 0 HD1 TYR A 47 20.287 -17.806 -4.182 1.00 15.21 H new ATOM 0 HD2 TYR A 47 23.808 -15.514 -4.888 1.00 1.22 H new ATOM 0 HE1 TYR A 47 19.768 -16.411 -2.228 1.00 63.11 H new ATOM 0 HE2 TYR A 47 23.299 -14.125 -2.930 1.00 14.02 H new ATOM 0 HH TYR A 47 21.912 -13.724 -1.257 1.00 4.14 H new ATOM 446 N CYS A 48 19.585 -18.267 -8.213 1.00 74.03 N ATOM 447 CA CYS A 48 18.411 -19.122 -8.353 1.00 11.11 C ATOM 448 C CYS A 48 18.313 -19.684 -9.767 1.00 53.24 C ATOM 449 O CYS A 48 17.815 -19.034 -10.687 1.00 50.31 O ATOM 450 CB CYS A 48 17.141 -18.340 -8.012 1.00 24.52 C ATOM 451 SG CYS A 48 17.051 -17.794 -6.292 1.00 15.44 S ATOM 0 H CYS A 48 19.782 -17.685 -9.027 1.00 74.03 H new ATOM 0 HA CYS A 48 18.514 -19.955 -7.657 1.00 11.11 H new ATOM 0 HB2 CYS A 48 17.078 -17.468 -8.663 1.00 24.52 H new ATOM 0 HB3 CYS A 48 16.274 -18.963 -8.230 1.00 24.52 H new ATOM 0 HG CYS A 48 18.094 -18.222 -5.646 1.00 15.44 H new ATOM 457 N PRO A 49 18.801 -20.919 -9.949 1.00 34.14 N ATOM 458 CA PRO A 49 18.781 -21.596 -11.249 1.00 43.34 C ATOM 459 C PRO A 49 17.370 -21.984 -11.679 1.00 61.11 C ATOM 460 O PRO A 49 16.430 -21.920 -10.887 1.00 13.53 O ATOM 461 CB PRO A 49 19.630 -22.847 -11.012 1.00 4.54 C ATOM 462 CG PRO A 49 19.526 -23.104 -9.549 1.00 2.24 C ATOM 463 CD PRO A 49 19.410 -21.753 -8.898 1.00 51.45 C ATOM 0 HA PRO A 49 19.156 -20.955 -12.047 1.00 43.34 H new ATOM 0 HB2 PRO A 49 19.258 -23.693 -11.590 1.00 4.54 H new ATOM 0 HB3 PRO A 49 20.665 -22.686 -11.313 1.00 4.54 H new ATOM 0 HG2 PRO A 49 18.657 -23.722 -9.322 1.00 2.24 H new ATOM 0 HG3 PRO A 49 20.402 -23.639 -9.184 1.00 2.24 H new ATOM 0 HD2 PRO A 49 18.788 -21.790 -8.004 1.00 51.45 H new ATOM 0 HD3 PRO A 49 20.384 -21.369 -8.594 1.00 51.45 H new ATOM 471 N HIS A 50 17.230 -22.387 -12.938 1.00 70.13 N ATOM 472 CA HIS A 50 15.933 -22.787 -13.472 1.00 72.25 C ATOM 473 C HIS A 50 15.126 -21.568 -13.909 1.00 42.12 C ATOM 474 O HIS A 50 14.604 -21.524 -15.023 1.00 2.41 O ATOM 475 CB HIS A 50 15.150 -23.584 -12.428 1.00 4.45 C ATOM 476 CG HIS A 50 14.267 -24.639 -13.018 1.00 0.12 C ATOM 477 ND1 HIS A 50 13.601 -25.576 -12.256 1.00 24.45 N ATOM 478 CD2 HIS A 50 13.939 -24.901 -14.305 1.00 41.20 C ATOM 479 CE1 HIS A 50 12.904 -26.370 -13.048 1.00 44.04 C ATOM 480 NE2 HIS A 50 13.091 -25.982 -14.296 1.00 52.32 N ATOM 0 H HIS A 50 17.998 -22.445 -13.607 1.00 70.13 H new ATOM 0 HA HIS A 50 16.106 -23.418 -14.344 1.00 72.25 H new ATOM 0 HB2 HIS A 50 15.853 -24.053 -11.739 1.00 4.45 H new ATOM 0 HB3 HIS A 50 14.540 -22.897 -11.842 1.00 4.45 H new ATOM 0 HD2 HIS A 50 14.280 -24.361 -15.176 1.00 41.20 H new ATOM 0 HE1 HIS A 50 12.286 -27.196 -12.729 1.00 44.04 H new ATOM 0 HE2 HIS A 50 12.674 -26.415 -15.120 1.00 52.32 H new ATOM 488 N SER A 51 15.028 -20.581 -13.024 1.00 24.30 N ATOM 489 CA SER A 51 14.281 -19.363 -13.316 1.00 71.42 C ATOM 490 C SER A 51 15.060 -18.464 -14.270 1.00 45.34 C ATOM 491 O SER A 51 14.479 -17.658 -14.998 1.00 50.32 O ATOM 492 CB SER A 51 13.971 -18.607 -12.023 1.00 50.30 C ATOM 493 OG SER A 51 13.804 -17.221 -12.270 1.00 70.24 O ATOM 0 H SER A 51 15.457 -20.601 -12.099 1.00 24.30 H new ATOM 0 HA SER A 51 13.344 -19.647 -13.796 1.00 71.42 H new ATOM 0 HB2 SER A 51 13.065 -19.011 -11.570 1.00 50.30 H new ATOM 0 HB3 SER A 51 14.779 -18.757 -11.307 1.00 50.30 H new ATOM 0 HG SER A 51 13.590 -16.763 -11.431 1.00 70.24 H new ATOM 499 N THR A 52 16.382 -18.607 -14.262 1.00 64.14 N ATOM 500 CA THR A 52 17.242 -17.808 -15.125 1.00 64.14 C ATOM 501 C THR A 52 17.393 -18.452 -16.500 1.00 4.10 C ATOM 502 O THR A 52 17.273 -17.781 -17.526 1.00 62.21 O ATOM 503 CB THR A 52 18.639 -17.617 -14.505 1.00 71.21 C ATOM 504 OG1 THR A 52 18.563 -16.712 -13.397 1.00 63.33 O ATOM 505 CG2 THR A 52 19.622 -17.083 -15.537 1.00 33.15 C ATOM 0 H THR A 52 16.880 -19.269 -13.667 1.00 64.14 H new ATOM 0 HA THR A 52 16.764 -16.834 -15.233 1.00 64.14 H new ATOM 0 HB THR A 52 18.994 -18.587 -14.158 1.00 71.21 H new ATOM 0 HG1 THR A 52 17.749 -16.171 -13.471 1.00 63.33 H new ATOM 0 HG21 THR A 52 20.601 -16.956 -15.075 1.00 33.15 H new ATOM 0 HG22 THR A 52 19.699 -17.788 -16.365 1.00 33.15 H new ATOM 0 HG23 THR A 52 19.270 -16.122 -15.911 1.00 33.15 H new ATOM 513 N ARG A 53 17.657 -19.754 -16.512 1.00 53.12 N ATOM 514 CA ARG A 53 17.824 -20.488 -17.761 1.00 54.45 C ATOM 515 C ARG A 53 16.654 -20.229 -18.705 1.00 52.43 C ATOM 516 O ARG A 53 16.844 -19.997 -19.899 1.00 43.12 O ATOM 517 CB ARG A 53 17.948 -21.987 -17.484 1.00 13.10 C ATOM 518 CG ARG A 53 17.151 -22.852 -18.448 1.00 21.01 C ATOM 519 CD ARG A 53 17.355 -24.332 -18.166 1.00 12.24 C ATOM 520 NE ARG A 53 18.413 -24.905 -18.993 1.00 21.52 N ATOM 521 CZ ARG A 53 18.946 -26.103 -18.778 1.00 33.45 C ATOM 522 NH1 ARG A 53 18.521 -26.850 -17.767 1.00 51.02 N ATOM 523 NH2 ARG A 53 19.906 -26.557 -19.573 1.00 71.01 N ATOM 0 H ARG A 53 17.760 -20.323 -15.671 1.00 53.12 H new ATOM 0 HA ARG A 53 18.738 -20.137 -18.239 1.00 54.45 H new ATOM 0 HB2 ARG A 53 18.999 -22.272 -17.537 1.00 13.10 H new ATOM 0 HB3 ARG A 53 17.614 -22.189 -16.466 1.00 13.10 H new ATOM 0 HG2 ARG A 53 16.092 -22.608 -18.367 1.00 21.01 H new ATOM 0 HG3 ARG A 53 17.452 -22.630 -19.472 1.00 21.01 H new ATOM 0 HD2 ARG A 53 17.603 -24.470 -17.113 1.00 12.24 H new ATOM 0 HD3 ARG A 53 16.423 -24.868 -18.347 1.00 12.24 H new ATOM 0 HE ARG A 53 18.762 -24.356 -19.779 1.00 21.52 H new ATOM 0 HH11 ARG A 53 17.783 -26.505 -17.153 1.00 51.02 H new ATOM 0 HH12 ARG A 53 18.932 -27.769 -17.604 1.00 51.02 H new ATOM 0 HH21 ARG A 53 20.236 -25.986 -20.351 1.00 71.01 H new ATOM 0 HH22 ARG A 53 20.314 -27.477 -19.406 1.00 71.01 H new ATOM 537 N VAL A 54 15.441 -20.269 -18.162 1.00 24.13 N ATOM 538 CA VAL A 54 14.240 -20.038 -18.954 1.00 51.24 C ATOM 539 C VAL A 54 14.373 -18.775 -19.798 1.00 75.35 C ATOM 540 O VAL A 54 13.791 -18.673 -20.880 1.00 24.52 O ATOM 541 CB VAL A 54 12.992 -19.915 -18.059 1.00 53.25 C ATOM 542 CG1 VAL A 54 13.011 -18.600 -17.295 1.00 32.43 C ATOM 543 CG2 VAL A 54 11.725 -20.039 -18.893 1.00 2.42 C ATOM 0 H VAL A 54 15.265 -20.460 -17.176 1.00 24.13 H new ATOM 0 HA VAL A 54 14.123 -20.900 -19.611 1.00 51.24 H new ATOM 0 HB VAL A 54 13.004 -20.729 -17.334 1.00 53.25 H new ATOM 0 HG11 VAL A 54 12.122 -18.531 -16.668 1.00 32.43 H new ATOM 0 HG12 VAL A 54 13.901 -18.556 -16.668 1.00 32.43 H new ATOM 0 HG13 VAL A 54 13.023 -17.769 -18.001 1.00 32.43 H new ATOM 0 HG21 VAL A 54 10.853 -19.950 -18.245 1.00 2.42 H new ATOM 0 HG22 VAL A 54 11.703 -19.247 -19.642 1.00 2.42 H new ATOM 0 HG23 VAL A 54 11.710 -21.009 -19.390 1.00 2.42 H new ATOM 553 N LYS A 55 15.141 -17.814 -19.298 1.00 53.21 N ATOM 554 CA LYS A 55 15.353 -16.557 -20.006 1.00 0.14 C ATOM 555 C LYS A 55 16.430 -16.709 -21.076 1.00 33.41 C ATOM 556 O LYS A 55 16.352 -16.096 -22.139 1.00 50.31 O ATOM 557 CB LYS A 55 15.750 -15.455 -19.022 1.00 1.30 C ATOM 558 CG LYS A 55 17.235 -15.135 -19.033 1.00 14.42 C ATOM 559 CD LYS A 55 17.603 -14.162 -17.925 1.00 3.11 C ATOM 560 CE LYS A 55 19.102 -14.159 -17.663 1.00 13.31 C ATOM 561 NZ LYS A 55 19.805 -13.127 -18.476 1.00 34.23 N ATOM 0 H LYS A 55 15.628 -17.881 -18.404 1.00 53.21 H new ATOM 0 HA LYS A 55 14.418 -16.282 -20.494 1.00 0.14 H new ATOM 0 HB2 LYS A 55 15.190 -14.550 -19.258 1.00 1.30 H new ATOM 0 HB3 LYS A 55 15.459 -15.756 -18.016 1.00 1.30 H new ATOM 0 HG2 LYS A 55 17.807 -16.055 -18.916 1.00 14.42 H new ATOM 0 HG3 LYS A 55 17.510 -14.710 -19.998 1.00 14.42 H new ATOM 0 HD2 LYS A 55 17.278 -13.158 -18.198 1.00 3.11 H new ATOM 0 HD3 LYS A 55 17.073 -14.431 -17.011 1.00 3.11 H new ATOM 0 HE2 LYS A 55 19.285 -13.974 -16.604 1.00 13.31 H new ATOM 0 HE3 LYS A 55 19.513 -15.143 -17.891 1.00 13.31 H new ATOM 0 HZ1 LYS A 55 20.824 -13.157 -18.269 1.00 34.23 H new ATOM 0 HZ2 LYS A 55 19.651 -13.317 -19.487 1.00 34.23 H new ATOM 0 HZ3 LYS A 55 19.431 -12.186 -18.240 1.00 34.23 H new ATOM 575 N GLU A 56 17.433 -17.534 -20.786 1.00 12.33 N ATOM 576 CA GLU A 56 18.524 -17.766 -21.725 1.00 23.13 C ATOM 577 C GLU A 56 18.003 -18.374 -23.024 1.00 64.44 C ATOM 578 O GLU A 56 18.680 -18.342 -24.053 1.00 2.43 O ATOM 579 CB GLU A 56 19.574 -18.689 -21.102 1.00 13.24 C ATOM 580 CG GLU A 56 20.992 -18.151 -21.200 1.00 32.32 C ATOM 581 CD GLU A 56 21.989 -18.992 -20.426 1.00 54.11 C ATOM 582 OE1 GLU A 56 21.552 -19.832 -19.611 1.00 74.54 O ATOM 583 OE2 GLU A 56 23.206 -18.809 -20.635 1.00 30.25 O ATOM 0 H GLU A 56 17.512 -18.051 -19.910 1.00 12.33 H new ATOM 0 HA GLU A 56 18.985 -16.805 -21.953 1.00 23.13 H new ATOM 0 HB2 GLU A 56 19.327 -18.850 -20.053 1.00 13.24 H new ATOM 0 HB3 GLU A 56 19.528 -19.661 -21.593 1.00 13.24 H new ATOM 0 HG2 GLU A 56 21.291 -18.112 -22.248 1.00 32.32 H new ATOM 0 HG3 GLU A 56 21.016 -17.128 -20.824 1.00 32.32 H new ATOM 590 N LEU A 57 16.797 -18.928 -22.970 1.00 1.21 N ATOM 591 CA LEU A 57 16.185 -19.545 -24.141 1.00 45.24 C ATOM 592 C LEU A 57 15.661 -18.483 -25.104 1.00 75.20 C ATOM 593 O LEU A 57 15.914 -18.541 -26.307 1.00 42.03 O ATOM 594 CB LEU A 57 15.045 -20.472 -23.718 1.00 21.32 C ATOM 595 CG LEU A 57 14.035 -20.837 -24.806 1.00 44.25 C ATOM 596 CD1 LEU A 57 14.745 -21.416 -26.020 1.00 22.53 C ATOM 597 CD2 LEU A 57 13.003 -21.818 -24.270 1.00 53.32 C ATOM 0 H LEU A 57 16.223 -18.963 -22.127 1.00 1.21 H new ATOM 0 HA LEU A 57 16.949 -20.130 -24.653 1.00 45.24 H new ATOM 0 HB2 LEU A 57 15.479 -21.394 -23.330 1.00 21.32 H new ATOM 0 HB3 LEU A 57 14.507 -20.001 -22.895 1.00 21.32 H new ATOM 0 HG LEU A 57 13.516 -19.929 -25.113 1.00 44.25 H new ATOM 0 HD11 LEU A 57 14.010 -21.670 -26.784 1.00 22.53 H new ATOM 0 HD12 LEU A 57 15.443 -20.680 -26.418 1.00 22.53 H new ATOM 0 HD13 LEU A 57 15.291 -22.313 -25.729 1.00 22.53 H new ATOM 0 HD21 LEU A 57 12.293 -22.066 -25.059 1.00 53.32 H new ATOM 0 HD22 LEU A 57 13.504 -22.726 -23.934 1.00 53.32 H new ATOM 0 HD23 LEU A 57 12.472 -21.366 -23.432 1.00 53.32 H new ATOM 609 N PHE A 58 14.930 -17.513 -24.565 1.00 41.54 N ATOM 610 CA PHE A 58 14.371 -16.437 -25.376 1.00 12.25 C ATOM 611 C PHE A 58 15.438 -15.825 -26.278 1.00 64.54 C ATOM 612 O PHE A 58 15.174 -15.495 -27.434 1.00 53.12 O ATOM 613 CB PHE A 58 13.766 -15.356 -24.478 1.00 40.11 C ATOM 614 CG PHE A 58 12.391 -15.694 -23.976 1.00 20.54 C ATOM 615 CD1 PHE A 58 12.217 -16.643 -22.982 1.00 21.42 C ATOM 616 CD2 PHE A 58 11.274 -15.062 -24.496 1.00 72.03 C ATOM 617 CE1 PHE A 58 10.953 -16.957 -22.518 1.00 61.00 C ATOM 618 CE2 PHE A 58 10.007 -15.371 -24.036 1.00 62.21 C ATOM 619 CZ PHE A 58 9.847 -16.320 -23.045 1.00 4.21 C ATOM 0 H PHE A 58 14.711 -17.450 -23.571 1.00 41.54 H new ATOM 0 HA PHE A 58 13.587 -16.859 -26.005 1.00 12.25 H new ATOM 0 HB2 PHE A 58 14.425 -15.192 -23.626 1.00 40.11 H new ATOM 0 HB3 PHE A 58 13.722 -14.418 -25.031 1.00 40.11 H new ATOM 0 HD1 PHE A 58 13.078 -17.143 -22.565 1.00 21.42 H new ATOM 0 HD2 PHE A 58 11.394 -14.319 -25.270 1.00 72.03 H new ATOM 0 HE1 PHE A 58 10.831 -17.700 -21.744 1.00 61.00 H new ATOM 0 HE2 PHE A 58 9.144 -14.871 -24.451 1.00 62.21 H new ATOM 0 HZ PHE A 58 8.859 -16.563 -22.683 1.00 4.21 H new ATOM 629 N SER A 59 16.645 -15.677 -25.742 1.00 22.42 N ATOM 630 CA SER A 59 17.752 -15.102 -26.496 1.00 52.42 C ATOM 631 C SER A 59 17.949 -15.838 -27.818 1.00 40.41 C ATOM 632 O SER A 59 18.095 -15.218 -28.871 1.00 44.13 O ATOM 633 CB SER A 59 19.040 -15.154 -25.673 1.00 50.41 C ATOM 634 OG SER A 59 20.038 -14.317 -26.232 1.00 53.45 O ATOM 0 H SER A 59 16.881 -15.948 -24.787 1.00 22.42 H new ATOM 0 HA SER A 59 17.510 -14.061 -26.712 1.00 52.42 H new ATOM 0 HB2 SER A 59 18.833 -14.844 -24.649 1.00 50.41 H new ATOM 0 HB3 SER A 59 19.405 -16.180 -25.628 1.00 50.41 H new ATOM 0 HG SER A 59 20.850 -14.367 -25.686 1.00 53.45 H new ATOM 640 N SER A 60 17.953 -17.165 -27.753 1.00 73.02 N ATOM 641 CA SER A 60 18.136 -17.988 -28.943 1.00 53.34 C ATOM 642 C SER A 60 16.866 -18.010 -29.790 1.00 21.22 C ATOM 643 O SER A 60 16.846 -18.571 -30.886 1.00 30.23 O ATOM 644 CB SER A 60 18.524 -19.414 -28.549 1.00 12.15 C ATOM 645 OG SER A 60 18.991 -20.145 -29.670 1.00 1.41 O ATOM 0 H SER A 60 17.832 -17.694 -26.889 1.00 73.02 H new ATOM 0 HA SER A 60 18.940 -17.551 -29.536 1.00 53.34 H new ATOM 0 HB2 SER A 60 19.298 -19.385 -27.782 1.00 12.15 H new ATOM 0 HB3 SER A 60 17.663 -19.921 -28.114 1.00 12.15 H new ATOM 0 HG SER A 60 18.456 -19.913 -30.458 1.00 1.41 H new ATOM 651 N LEU A 61 15.808 -17.396 -29.272 1.00 43.33 N ATOM 652 CA LEU A 61 14.533 -17.344 -29.980 1.00 11.44 C ATOM 653 C LEU A 61 14.447 -16.099 -30.857 1.00 11.02 C ATOM 654 O LEU A 61 13.373 -15.740 -31.339 1.00 23.23 O ATOM 655 CB LEU A 61 13.374 -17.359 -28.982 1.00 30.01 C ATOM 656 CG LEU A 61 12.182 -18.243 -29.351 1.00 10.12 C ATOM 657 CD1 LEU A 61 11.838 -18.087 -30.823 1.00 73.35 C ATOM 658 CD2 LEU A 61 12.476 -19.700 -29.021 1.00 41.20 C ATOM 0 H LEU A 61 15.807 -16.928 -28.366 1.00 43.33 H new ATOM 0 HA LEU A 61 14.465 -18.223 -30.621 1.00 11.44 H new ATOM 0 HB2 LEU A 61 13.757 -17.686 -28.015 1.00 30.01 H new ATOM 0 HB3 LEU A 61 13.017 -16.337 -28.855 1.00 30.01 H new ATOM 0 HG LEU A 61 11.322 -17.925 -28.762 1.00 10.12 H new ATOM 0 HD11 LEU A 61 10.988 -18.723 -31.067 1.00 73.35 H new ATOM 0 HD12 LEU A 61 11.584 -17.047 -31.029 1.00 73.35 H new ATOM 0 HD13 LEU A 61 12.695 -18.378 -31.430 1.00 73.35 H new ATOM 0 HD21 LEU A 61 11.617 -20.315 -29.290 1.00 41.20 H new ATOM 0 HD22 LEU A 61 13.349 -20.031 -29.583 1.00 41.20 H new ATOM 0 HD23 LEU A 61 12.673 -19.799 -27.953 1.00 41.20 H new ATOM 670 N GLY A 62 15.587 -15.445 -31.061 1.00 70.34 N ATOM 671 CA GLY A 62 15.618 -14.250 -31.883 1.00 5.43 C ATOM 672 C GLY A 62 14.824 -13.109 -31.278 1.00 62.33 C ATOM 673 O GLY A 62 14.584 -12.094 -31.932 1.00 64.23 O ATOM 0 H GLY A 62 16.488 -15.722 -30.672 1.00 70.34 H new ATOM 0 HA2 GLY A 62 16.652 -13.935 -32.022 1.00 5.43 H new ATOM 0 HA3 GLY A 62 15.220 -14.482 -32.871 1.00 5.43 H new ATOM 677 N VAL A 63 14.415 -13.275 -30.024 1.00 33.11 N ATOM 678 CA VAL A 63 13.642 -12.252 -29.331 1.00 2.53 C ATOM 679 C VAL A 63 14.465 -11.595 -28.228 1.00 50.24 C ATOM 680 O VAL A 63 15.459 -12.154 -27.763 1.00 53.13 O ATOM 681 CB VAL A 63 12.357 -12.839 -28.716 1.00 41.32 C ATOM 682 CG1 VAL A 63 12.647 -13.450 -27.355 1.00 24.44 C ATOM 683 CG2 VAL A 63 11.280 -11.769 -28.610 1.00 42.24 C ATOM 0 H VAL A 63 14.606 -14.108 -29.468 1.00 33.11 H new ATOM 0 HA VAL A 63 13.371 -11.503 -30.075 1.00 2.53 H new ATOM 0 HB VAL A 63 11.990 -13.629 -29.371 1.00 41.32 H new ATOM 0 HG11 VAL A 63 11.728 -13.859 -26.937 1.00 24.44 H new ATOM 0 HG12 VAL A 63 13.383 -14.247 -27.463 1.00 24.44 H new ATOM 0 HG13 VAL A 63 13.039 -12.683 -26.688 1.00 24.44 H new ATOM 0 HG21 VAL A 63 10.379 -12.201 -28.174 1.00 42.24 H new ATOM 0 HG22 VAL A 63 11.636 -10.956 -27.977 1.00 42.24 H new ATOM 0 HG23 VAL A 63 11.052 -11.382 -29.603 1.00 42.24 H new ATOM 693 N VAL A 64 14.045 -10.403 -27.814 1.00 72.54 N ATOM 694 CA VAL A 64 14.742 -9.670 -26.764 1.00 42.45 C ATOM 695 C VAL A 64 13.884 -9.558 -25.509 1.00 73.14 C ATOM 696 O VAL A 64 12.655 -9.587 -25.579 1.00 51.43 O ATOM 697 CB VAL A 64 15.132 -8.256 -27.234 1.00 3.24 C ATOM 698 CG1 VAL A 64 16.068 -7.599 -26.229 1.00 70.21 C ATOM 699 CG2 VAL A 64 15.771 -8.310 -28.613 1.00 41.10 C ATOM 0 H VAL A 64 13.226 -9.925 -28.190 1.00 72.54 H new ATOM 0 HA VAL A 64 15.647 -10.231 -26.532 1.00 42.45 H new ATOM 0 HB VAL A 64 14.227 -7.652 -27.302 1.00 3.24 H new ATOM 0 HG11 VAL A 64 16.333 -6.601 -26.577 1.00 70.21 H new ATOM 0 HG12 VAL A 64 15.570 -7.526 -25.262 1.00 70.21 H new ATOM 0 HG13 VAL A 64 16.972 -8.200 -26.127 1.00 70.21 H new ATOM 0 HG21 VAL A 64 16.040 -7.302 -28.929 1.00 41.10 H new ATOM 0 HG22 VAL A 64 16.667 -8.930 -28.575 1.00 41.10 H new ATOM 0 HG23 VAL A 64 15.065 -8.737 -29.325 1.00 41.10 H new ATOM 709 N TYR A 65 14.540 -9.432 -24.361 1.00 50.53 N ATOM 710 CA TYR A 65 13.838 -9.317 -23.088 1.00 72.34 C ATOM 711 C TYR A 65 14.631 -8.464 -22.103 1.00 11.25 C ATOM 712 O TYR A 65 15.794 -8.143 -22.340 1.00 1.52 O ATOM 713 CB TYR A 65 13.588 -10.704 -22.494 1.00 33.32 C ATOM 714 CG TYR A 65 14.836 -11.550 -22.385 1.00 41.13 C ATOM 715 CD1 TYR A 65 15.815 -11.264 -21.442 1.00 12.41 C ATOM 716 CD2 TYR A 65 15.037 -12.638 -23.227 1.00 53.42 C ATOM 717 CE1 TYR A 65 16.958 -12.033 -21.340 1.00 74.45 C ATOM 718 CE2 TYR A 65 16.176 -13.414 -23.132 1.00 12.01 C ATOM 719 CZ TYR A 65 17.134 -13.108 -22.188 1.00 35.01 C ATOM 720 OH TYR A 65 18.269 -13.878 -22.089 1.00 70.21 O ATOM 0 H TYR A 65 15.557 -9.407 -24.286 1.00 50.53 H new ATOM 0 HA TYR A 65 12.881 -8.830 -23.272 1.00 72.34 H new ATOM 0 HB2 TYR A 65 13.148 -10.592 -21.503 1.00 33.32 H new ATOM 0 HB3 TYR A 65 12.857 -11.228 -23.110 1.00 33.32 H new ATOM 0 HD1 TYR A 65 15.680 -10.425 -20.776 1.00 12.41 H new ATOM 0 HD2 TYR A 65 14.290 -12.881 -23.968 1.00 53.42 H new ATOM 0 HE1 TYR A 65 17.709 -11.795 -20.602 1.00 74.45 H new ATOM 0 HE2 TYR A 65 16.316 -14.256 -23.794 1.00 12.01 H new ATOM 0 HH TYR A 65 18.023 -14.827 -22.104 1.00 70.21 H new ATOM 730 N ASN A 66 13.991 -8.102 -20.996 1.00 11.41 N ATOM 731 CA ASN A 66 14.635 -7.285 -19.973 1.00 20.41 C ATOM 732 C ASN A 66 15.152 -8.154 -18.830 1.00 13.43 C ATOM 733 O ASN A 66 14.699 -9.284 -18.643 1.00 13.42 O ATOM 734 CB ASN A 66 13.656 -6.241 -19.433 1.00 70.20 C ATOM 735 CG ASN A 66 14.358 -4.985 -18.953 1.00 15.15 C ATOM 736 OD1 ASN A 66 14.420 -3.984 -19.667 1.00 14.04 O ATOM 737 ND2 ASN A 66 14.890 -5.034 -17.737 1.00 54.30 N ATOM 0 H ASN A 66 13.027 -8.361 -20.784 1.00 11.41 H new ATOM 0 HA ASN A 66 15.483 -6.775 -20.431 1.00 20.41 H new ATOM 0 HB2 ASN A 66 12.941 -5.979 -20.213 1.00 70.20 H new ATOM 0 HB3 ASN A 66 13.086 -6.673 -18.610 1.00 70.20 H new ATOM 0 HD21 ASN A 66 15.375 -4.220 -17.359 1.00 54.30 H new ATOM 0 HD22 ASN A 66 14.814 -5.886 -17.181 1.00 54.30 H new ATOM 744 N ILE A 67 16.099 -7.618 -18.069 1.00 3.01 N ATOM 745 CA ILE A 67 16.676 -8.343 -16.944 1.00 33.35 C ATOM 746 C ILE A 67 16.158 -7.800 -15.616 1.00 40.45 C ATOM 747 O ILE A 67 16.411 -6.647 -15.264 1.00 21.32 O ATOM 748 CB ILE A 67 18.214 -8.266 -16.953 1.00 22.03 C ATOM 749 CG1 ILE A 67 18.767 -8.818 -18.267 1.00 71.25 C ATOM 750 CG2 ILE A 67 18.789 -9.028 -15.768 1.00 42.31 C ATOM 751 CD1 ILE A 67 19.473 -7.779 -19.111 1.00 24.35 C ATOM 0 H ILE A 67 16.483 -6.684 -18.211 1.00 3.01 H new ATOM 0 HA ILE A 67 16.373 -9.384 -17.051 1.00 33.35 H new ATOM 0 HB ILE A 67 18.511 -7.221 -16.867 1.00 22.03 H new ATOM 0 HG12 ILE A 67 19.462 -9.629 -18.047 1.00 71.25 H new ATOM 0 HG13 ILE A 67 17.948 -9.248 -18.844 1.00 71.25 H new ATOM 0 HG21 ILE A 67 19.877 -8.965 -15.788 1.00 42.31 H new ATOM 0 HG22 ILE A 67 18.417 -8.593 -14.840 1.00 42.31 H new ATOM 0 HG23 ILE A 67 18.485 -10.073 -15.826 1.00 42.31 H new ATOM 0 HD11 ILE A 67 19.839 -8.242 -20.027 1.00 24.35 H new ATOM 0 HD12 ILE A 67 18.776 -6.979 -19.362 1.00 24.35 H new ATOM 0 HD13 ILE A 67 20.313 -7.366 -18.553 1.00 24.35 H new ATOM 763 N LEU A 68 15.433 -8.637 -14.884 1.00 31.34 N ATOM 764 CA LEU A 68 14.881 -8.243 -13.593 1.00 13.23 C ATOM 765 C LEU A 68 15.216 -9.272 -12.519 1.00 21.34 C ATOM 766 O LEU A 68 14.864 -10.445 -12.638 1.00 11.53 O ATOM 767 CB LEU A 68 13.363 -8.073 -13.696 1.00 4.54 C ATOM 768 CG LEU A 68 12.833 -7.583 -15.044 1.00 4.12 C ATOM 769 CD1 LEU A 68 11.325 -7.765 -15.122 1.00 11.10 C ATOM 770 CD2 LEU A 68 13.209 -6.125 -15.267 1.00 15.12 C ATOM 0 H LEU A 68 15.213 -9.593 -15.162 1.00 31.34 H new ATOM 0 HA LEU A 68 15.330 -7.291 -13.310 1.00 13.23 H new ATOM 0 HB2 LEU A 68 12.894 -9.031 -13.470 1.00 4.54 H new ATOM 0 HB3 LEU A 68 13.043 -7.372 -12.926 1.00 4.54 H new ATOM 0 HG LEU A 68 13.292 -8.180 -15.832 1.00 4.12 H new ATOM 0 HD11 LEU A 68 10.965 -7.411 -16.088 1.00 11.10 H new ATOM 0 HD12 LEU A 68 11.080 -8.821 -15.008 1.00 11.10 H new ATOM 0 HD13 LEU A 68 10.848 -7.194 -14.326 1.00 11.10 H new ATOM 0 HD21 LEU A 68 12.824 -5.793 -16.231 1.00 15.12 H new ATOM 0 HD22 LEU A 68 12.779 -5.513 -14.474 1.00 15.12 H new ATOM 0 HD23 LEU A 68 14.294 -6.023 -15.256 1.00 15.12 H new ATOM 782 N GLU A 69 15.897 -8.824 -11.469 1.00 0.05 N ATOM 783 CA GLU A 69 16.279 -9.707 -10.372 1.00 31.20 C ATOM 784 C GLU A 69 15.605 -9.282 -9.071 1.00 55.32 C ATOM 785 O GLU A 69 15.894 -8.215 -8.528 1.00 52.55 O ATOM 786 CB GLU A 69 17.799 -9.709 -10.195 1.00 60.25 C ATOM 787 CG GLU A 69 18.563 -9.896 -11.495 1.00 74.32 C ATOM 788 CD GLU A 69 18.339 -11.264 -12.111 1.00 64.41 C ATOM 789 OE1 GLU A 69 17.314 -11.446 -12.799 1.00 73.12 O ATOM 790 OE2 GLU A 69 19.193 -12.153 -11.904 1.00 75.33 O ATOM 0 H GLU A 69 16.196 -7.855 -11.354 1.00 0.05 H new ATOM 0 HA GLU A 69 15.948 -10.716 -10.620 1.00 31.20 H new ATOM 0 HB2 GLU A 69 18.104 -8.769 -9.736 1.00 60.25 H new ATOM 0 HB3 GLU A 69 18.075 -10.505 -9.504 1.00 60.25 H new ATOM 0 HG2 GLU A 69 18.258 -9.127 -12.205 1.00 74.32 H new ATOM 0 HG3 GLU A 69 19.628 -9.755 -11.310 1.00 74.32 H new ATOM 797 N LEU A 70 14.705 -10.123 -8.576 1.00 33.22 N ATOM 798 CA LEU A 70 13.987 -9.835 -7.339 1.00 22.45 C ATOM 799 C LEU A 70 14.934 -9.862 -6.142 1.00 41.31 C ATOM 800 O LEU A 70 14.600 -9.374 -5.063 1.00 14.30 O ATOM 801 CB LEU A 70 12.859 -10.848 -7.132 1.00 44.51 C ATOM 802 CG LEU A 70 11.877 -11.004 -8.294 1.00 41.52 C ATOM 803 CD1 LEU A 70 12.279 -12.175 -9.179 1.00 3.43 C ATOM 804 CD2 LEU A 70 10.459 -11.188 -7.774 1.00 43.30 C ATOM 0 H LEU A 70 14.454 -11.010 -9.012 1.00 33.22 H new ATOM 0 HA LEU A 70 13.559 -8.836 -7.421 1.00 22.45 H new ATOM 0 HB2 LEU A 70 13.305 -11.821 -6.926 1.00 44.51 H new ATOM 0 HB3 LEU A 70 12.297 -10.560 -6.244 1.00 44.51 H new ATOM 0 HG LEU A 70 11.907 -10.094 -8.894 1.00 41.52 H new ATOM 0 HD11 LEU A 70 11.569 -12.271 -10.000 1.00 3.43 H new ATOM 0 HD12 LEU A 70 13.277 -12.002 -9.581 1.00 3.43 H new ATOM 0 HD13 LEU A 70 12.279 -13.093 -8.591 1.00 3.43 H new ATOM 0 HD21 LEU A 70 9.774 -11.297 -8.615 1.00 43.30 H new ATOM 0 HD22 LEU A 70 10.413 -12.081 -7.150 1.00 43.30 H new ATOM 0 HD23 LEU A 70 10.172 -10.318 -7.183 1.00 43.30 H new ATOM 816 N ASP A 71 16.116 -10.433 -6.343 1.00 2.41 N ATOM 817 CA ASP A 71 17.113 -10.520 -5.282 1.00 73.21 C ATOM 818 C ASP A 71 18.046 -9.314 -5.312 1.00 41.34 C ATOM 819 O ASP A 71 19.048 -9.274 -4.599 1.00 12.04 O ATOM 820 CB ASP A 71 17.923 -11.810 -5.419 1.00 24.04 C ATOM 821 CG ASP A 71 18.024 -12.572 -4.111 1.00 71.04 C ATOM 822 OD1 ASP A 71 17.049 -12.543 -3.331 1.00 72.12 O ATOM 823 OD2 ASP A 71 19.076 -13.199 -3.870 1.00 42.34 O ATOM 0 H ASP A 71 16.408 -10.843 -7.230 1.00 2.41 H new ATOM 0 HA ASP A 71 16.590 -10.528 -4.326 1.00 73.21 H new ATOM 0 HB2 ASP A 71 17.461 -12.447 -6.173 1.00 24.04 H new ATOM 0 HB3 ASP A 71 18.925 -11.570 -5.775 1.00 24.04 H new ATOM 828 N GLN A 72 17.710 -8.332 -6.143 1.00 73.13 N ATOM 829 CA GLN A 72 18.519 -7.126 -6.268 1.00 34.02 C ATOM 830 C GLN A 72 17.712 -5.888 -5.886 1.00 73.34 C ATOM 831 O GLN A 72 18.235 -4.958 -5.273 1.00 71.34 O ATOM 832 CB GLN A 72 19.047 -6.985 -7.696 1.00 33.21 C ATOM 833 CG GLN A 72 20.021 -8.082 -8.094 1.00 53.14 C ATOM 834 CD GLN A 72 21.450 -7.764 -7.702 1.00 1.33 C ATOM 835 OE1 GLN A 72 21.831 -6.598 -7.592 1.00 2.31 O ATOM 836 NE2 GLN A 72 22.250 -8.801 -7.486 1.00 73.20 N ATOM 0 H GLN A 72 16.883 -8.349 -6.740 1.00 73.13 H new ATOM 0 HA GLN A 72 19.363 -7.213 -5.584 1.00 34.02 H new ATOM 0 HB2 GLN A 72 18.205 -6.989 -8.388 1.00 33.21 H new ATOM 0 HB3 GLN A 72 19.539 -6.018 -7.799 1.00 33.21 H new ATOM 0 HG2 GLN A 72 19.719 -9.018 -7.625 1.00 53.14 H new ATOM 0 HG3 GLN A 72 19.969 -8.235 -9.172 1.00 53.14 H new ATOM 0 HE21 GLN A 72 21.893 -9.751 -7.589 1.00 73.20 H new ATOM 0 HE22 GLN A 72 23.222 -8.648 -7.217 1.00 73.20 H new ATOM 845 N VAL A 73 16.435 -5.884 -6.255 1.00 51.24 N ATOM 846 CA VAL A 73 15.556 -4.760 -5.952 1.00 73.42 C ATOM 847 C VAL A 73 15.453 -4.534 -4.448 1.00 72.11 C ATOM 848 O VAL A 73 15.925 -5.348 -3.654 1.00 2.32 O ATOM 849 CB VAL A 73 14.143 -4.984 -6.524 1.00 10.01 C ATOM 850 CG1 VAL A 73 14.164 -4.908 -8.043 1.00 70.31 C ATOM 851 CG2 VAL A 73 13.583 -6.318 -6.056 1.00 22.32 C ATOM 0 H VAL A 73 15.986 -6.646 -6.764 1.00 51.24 H new ATOM 0 HA VAL A 73 15.995 -3.879 -6.420 1.00 73.42 H new ATOM 0 HB VAL A 73 13.491 -4.193 -6.153 1.00 10.01 H new ATOM 0 HG11 VAL A 73 13.157 -5.069 -8.429 1.00 70.31 H new ATOM 0 HG12 VAL A 73 14.519 -3.925 -8.353 1.00 70.31 H new ATOM 0 HG13 VAL A 73 14.830 -5.676 -8.437 1.00 70.31 H new ATOM 0 HG21 VAL A 73 12.585 -6.459 -6.470 1.00 22.32 H new ATOM 0 HG22 VAL A 73 14.233 -7.125 -6.395 1.00 22.32 H new ATOM 0 HG23 VAL A 73 13.529 -6.328 -4.967 1.00 22.32 H new ATOM 861 N ASP A 74 14.832 -3.424 -4.064 1.00 74.01 N ATOM 862 CA ASP A 74 14.665 -3.091 -2.654 1.00 15.52 C ATOM 863 C ASP A 74 13.503 -3.869 -2.045 1.00 21.10 C ATOM 864 O ASP A 74 13.524 -4.212 -0.863 1.00 3.43 O ATOM 865 CB ASP A 74 14.431 -1.588 -2.488 1.00 24.55 C ATOM 866 CG ASP A 74 14.899 -1.075 -1.139 1.00 73.43 C ATOM 867 OD1 ASP A 74 14.998 -1.889 -0.198 1.00 11.23 O ATOM 868 OD2 ASP A 74 15.165 0.140 -1.027 1.00 31.44 O ATOM 0 H ASP A 74 14.436 -2.740 -4.709 1.00 74.01 H new ATOM 0 HA ASP A 74 15.579 -3.370 -2.130 1.00 15.52 H new ATOM 0 HB2 ASP A 74 14.955 -1.052 -3.279 1.00 24.55 H new ATOM 0 HB3 ASP A 74 13.369 -1.373 -2.607 1.00 24.55 H new ATOM 873 N ASP A 75 12.490 -4.144 -2.860 1.00 10.45 N ATOM 874 CA ASP A 75 11.319 -4.882 -2.402 1.00 20.14 C ATOM 875 C ASP A 75 11.462 -6.370 -2.704 1.00 12.00 C ATOM 876 O ASP A 75 10.472 -7.067 -2.922 1.00 71.52 O ATOM 877 CB ASP A 75 10.054 -4.333 -3.062 1.00 72.55 C ATOM 878 CG ASP A 75 10.108 -2.831 -3.259 1.00 33.04 C ATOM 879 OD1 ASP A 75 10.579 -2.130 -2.340 1.00 11.31 O ATOM 880 OD2 ASP A 75 9.677 -2.357 -4.331 1.00 32.22 O ATOM 0 H ASP A 75 12.457 -3.867 -3.841 1.00 10.45 H new ATOM 0 HA ASP A 75 11.239 -4.756 -1.322 1.00 20.14 H new ATOM 0 HB2 ASP A 75 9.912 -4.818 -4.028 1.00 72.55 H new ATOM 0 HB3 ASP A 75 9.189 -4.585 -2.448 1.00 72.55 H new ATOM 885 N GLY A 76 12.702 -6.851 -2.717 1.00 42.35 N ATOM 886 CA GLY A 76 12.951 -8.253 -2.996 1.00 42.04 C ATOM 887 C GLY A 76 12.096 -9.173 -2.148 1.00 50.24 C ATOM 888 O GLY A 76 11.884 -10.333 -2.500 1.00 70.50 O ATOM 0 H GLY A 76 13.538 -6.294 -2.539 1.00 42.35 H new ATOM 0 HA2 GLY A 76 12.757 -8.451 -4.050 1.00 42.04 H new ATOM 0 HA3 GLY A 76 14.003 -8.474 -2.819 1.00 42.04 H new ATOM 892 N ALA A 77 11.604 -8.656 -1.027 1.00 44.02 N ATOM 893 CA ALA A 77 10.768 -9.440 -0.127 1.00 40.41 C ATOM 894 C ALA A 77 9.340 -9.542 -0.654 1.00 63.24 C ATOM 895 O ALA A 77 8.826 -10.640 -0.869 1.00 63.14 O ATOM 896 CB ALA A 77 10.774 -8.829 1.267 1.00 43.23 C ATOM 0 H ALA A 77 11.770 -7.697 -0.721 1.00 44.02 H new ATOM 0 HA ALA A 77 11.182 -10.447 -0.073 1.00 40.41 H new ATOM 0 HB1 ALA A 77 10.145 -9.425 1.928 1.00 43.23 H new ATOM 0 HB2 ALA A 77 11.793 -8.813 1.653 1.00 43.23 H new ATOM 0 HB3 ALA A 77 10.388 -7.811 1.220 1.00 43.23 H new ATOM 902 N SER A 78 8.706 -8.392 -0.861 1.00 21.44 N ATOM 903 CA SER A 78 7.336 -8.354 -1.359 1.00 2.52 C ATOM 904 C SER A 78 7.288 -8.702 -2.844 1.00 24.03 C ATOM 905 O SER A 78 6.472 -9.515 -3.276 1.00 64.52 O ATOM 906 CB SER A 78 6.727 -6.970 -1.127 1.00 53.13 C ATOM 907 OG SER A 78 7.726 -5.966 -1.121 1.00 23.51 O ATOM 0 H SER A 78 9.119 -7.475 -0.692 1.00 21.44 H new ATOM 0 HA SER A 78 6.754 -9.096 -0.812 1.00 2.52 H new ATOM 0 HB2 SER A 78 5.997 -6.756 -1.907 1.00 53.13 H new ATOM 0 HB3 SER A 78 6.191 -6.960 -0.178 1.00 53.13 H new ATOM 0 HG SER A 78 7.310 -5.091 -0.973 1.00 23.51 H new ATOM 913 N VAL A 79 8.170 -8.079 -3.619 1.00 54.25 N ATOM 914 CA VAL A 79 8.229 -8.322 -5.056 1.00 25.21 C ATOM 915 C VAL A 79 8.251 -9.816 -5.360 1.00 12.11 C ATOM 916 O VAL A 79 7.635 -10.272 -6.323 1.00 15.33 O ATOM 917 CB VAL A 79 9.471 -7.663 -5.686 1.00 23.05 C ATOM 918 CG1 VAL A 79 10.717 -8.490 -5.401 1.00 15.44 C ATOM 919 CG2 VAL A 79 9.275 -7.478 -7.183 1.00 10.22 C ATOM 0 H VAL A 79 8.853 -7.403 -3.277 1.00 54.25 H new ATOM 0 HA VAL A 79 7.332 -7.879 -5.489 1.00 25.21 H new ATOM 0 HB VAL A 79 9.606 -6.679 -5.237 1.00 23.05 H new ATOM 0 HG11 VAL A 79 11.584 -8.009 -5.854 1.00 15.44 H new ATOM 0 HG12 VAL A 79 10.865 -8.565 -4.324 1.00 15.44 H new ATOM 0 HG13 VAL A 79 10.595 -9.488 -5.821 1.00 15.44 H new ATOM 0 HG21 VAL A 79 10.162 -7.011 -7.611 1.00 10.22 H new ATOM 0 HG22 VAL A 79 9.114 -8.449 -7.652 1.00 10.22 H new ATOM 0 HG23 VAL A 79 8.408 -6.841 -7.361 1.00 10.22 H new ATOM 929 N GLN A 80 8.964 -10.572 -4.532 1.00 74.23 N ATOM 930 CA GLN A 80 9.065 -12.015 -4.713 1.00 71.50 C ATOM 931 C GLN A 80 7.908 -12.733 -4.027 1.00 53.32 C ATOM 932 O GLN A 80 7.570 -13.862 -4.378 1.00 61.44 O ATOM 933 CB GLN A 80 10.397 -12.527 -4.161 1.00 33.30 C ATOM 934 CG GLN A 80 10.995 -13.664 -4.974 1.00 22.23 C ATOM 935 CD GLN A 80 11.499 -14.801 -4.106 1.00 5.23 C ATOM 936 OE1 GLN A 80 11.243 -15.971 -4.386 1.00 64.51 O ATOM 937 NE2 GLN A 80 12.220 -14.460 -3.044 1.00 64.21 N ATOM 0 H GLN A 80 9.480 -10.210 -3.730 1.00 74.23 H new ATOM 0 HA GLN A 80 9.016 -12.226 -5.781 1.00 71.50 H new ATOM 0 HB2 GLN A 80 11.108 -11.702 -4.128 1.00 33.30 H new ATOM 0 HB3 GLN A 80 10.250 -12.863 -3.135 1.00 33.30 H new ATOM 0 HG2 GLN A 80 10.244 -14.045 -5.665 1.00 22.23 H new ATOM 0 HG3 GLN A 80 11.818 -13.280 -5.577 1.00 22.23 H new ATOM 0 HE21 GLN A 80 12.408 -13.477 -2.850 1.00 64.21 H new ATOM 0 HE22 GLN A 80 12.586 -15.182 -2.423 1.00 64.21 H new ATOM 946 N GLU A 81 7.304 -12.069 -3.046 1.00 44.32 N ATOM 947 CA GLU A 81 6.184 -12.645 -2.310 1.00 3.30 C ATOM 948 C GLU A 81 4.959 -12.786 -3.208 1.00 31.04 C ATOM 949 O GLU A 81 4.269 -13.806 -3.180 1.00 54.43 O ATOM 950 CB GLU A 81 5.844 -11.778 -1.096 1.00 71.32 C ATOM 951 CG GLU A 81 5.731 -12.564 0.200 1.00 5.23 C ATOM 952 CD GLU A 81 5.342 -11.693 1.378 1.00 20.31 C ATOM 953 OE1 GLU A 81 5.926 -10.599 1.526 1.00 55.10 O ATOM 954 OE2 GLU A 81 4.454 -12.105 2.153 1.00 74.44 O ATOM 0 H GLU A 81 7.571 -11.133 -2.743 1.00 44.32 H new ATOM 0 HA GLU A 81 6.478 -13.637 -1.968 1.00 3.30 H new ATOM 0 HB2 GLU A 81 6.611 -11.012 -0.981 1.00 71.32 H new ATOM 0 HB3 GLU A 81 4.902 -11.261 -1.281 1.00 71.32 H new ATOM 0 HG2 GLU A 81 4.991 -13.355 0.078 1.00 5.23 H new ATOM 0 HG3 GLU A 81 6.684 -13.049 0.411 1.00 5.23 H new ATOM 961 N VAL A 82 4.693 -11.756 -4.004 1.00 53.32 N ATOM 962 CA VAL A 82 3.551 -11.763 -4.911 1.00 21.40 C ATOM 963 C VAL A 82 3.907 -12.426 -6.237 1.00 24.40 C ATOM 964 O VAL A 82 3.031 -12.893 -6.966 1.00 11.21 O ATOM 965 CB VAL A 82 3.041 -10.336 -5.183 1.00 61.12 C ATOM 966 CG1 VAL A 82 1.533 -10.338 -5.383 1.00 51.22 C ATOM 967 CG2 VAL A 82 3.435 -9.404 -4.048 1.00 42.43 C ATOM 0 H VAL A 82 5.254 -10.905 -4.039 1.00 53.32 H new ATOM 0 HA VAL A 82 2.762 -12.335 -4.422 1.00 21.40 H new ATOM 0 HB VAL A 82 3.505 -9.971 -6.099 1.00 61.12 H new ATOM 0 HG11 VAL A 82 1.190 -9.321 -5.574 1.00 51.22 H new ATOM 0 HG12 VAL A 82 1.279 -10.972 -6.233 1.00 51.22 H new ATOM 0 HG13 VAL A 82 1.047 -10.722 -4.486 1.00 51.22 H new ATOM 0 HG21 VAL A 82 3.066 -8.400 -4.257 1.00 42.43 H new ATOM 0 HG22 VAL A 82 3.001 -9.763 -3.115 1.00 42.43 H new ATOM 0 HG23 VAL A 82 4.521 -9.380 -3.957 1.00 42.43 H new ATOM 977 N LEU A 83 5.199 -12.465 -6.543 1.00 61.34 N ATOM 978 CA LEU A 83 5.673 -13.072 -7.783 1.00 51.34 C ATOM 979 C LEU A 83 5.796 -14.585 -7.636 1.00 73.33 C ATOM 980 O LEU A 83 5.318 -15.343 -8.481 1.00 53.31 O ATOM 981 CB LEU A 83 7.025 -12.476 -8.182 1.00 14.11 C ATOM 982 CG LEU A 83 7.471 -12.730 -9.622 1.00 0.41 C ATOM 983 CD1 LEU A 83 7.686 -14.216 -9.861 1.00 2.15 C ATOM 984 CD2 LEU A 83 6.449 -12.173 -10.603 1.00 1.11 C ATOM 0 H LEU A 83 5.937 -12.084 -5.951 1.00 61.34 H new ATOM 0 HA LEU A 83 4.944 -12.859 -8.565 1.00 51.34 H new ATOM 0 HB2 LEU A 83 6.987 -11.399 -8.019 1.00 14.11 H new ATOM 0 HB3 LEU A 83 7.787 -12.873 -7.511 1.00 14.11 H new ATOM 0 HG LEU A 83 8.419 -12.216 -9.784 1.00 0.41 H new ATOM 0 HD11 LEU A 83 8.003 -14.377 -10.891 1.00 2.15 H new ATOM 0 HD12 LEU A 83 8.455 -14.586 -9.183 1.00 2.15 H new ATOM 0 HD13 LEU A 83 6.754 -14.752 -9.680 1.00 2.15 H new ATOM 0 HD21 LEU A 83 6.783 -12.363 -11.623 1.00 1.11 H new ATOM 0 HD22 LEU A 83 5.486 -12.658 -10.440 1.00 1.11 H new ATOM 0 HD23 LEU A 83 6.345 -11.099 -10.449 1.00 1.11 H new ATOM 996 N THR A 84 6.437 -15.020 -6.556 1.00 5.20 N ATOM 997 CA THR A 84 6.622 -16.442 -6.298 1.00 63.51 C ATOM 998 C THR A 84 5.288 -17.179 -6.301 1.00 31.22 C ATOM 999 O THR A 84 5.235 -18.385 -6.540 1.00 71.30 O ATOM 1000 CB THR A 84 7.325 -16.682 -4.948 1.00 52.12 C ATOM 1001 OG1 THR A 84 8.688 -16.250 -5.023 1.00 14.55 O ATOM 1002 CG2 THR A 84 7.273 -18.153 -4.565 1.00 44.22 C ATOM 0 H THR A 84 6.837 -14.407 -5.845 1.00 5.20 H new ATOM 0 HA THR A 84 7.250 -16.829 -7.100 1.00 63.51 H new ATOM 0 HB THR A 84 6.804 -16.106 -4.183 1.00 52.12 H new ATOM 0 HG1 THR A 84 8.743 -15.298 -4.795 1.00 14.55 H new ATOM 0 HG21 THR A 84 7.776 -18.298 -3.609 1.00 44.22 H new ATOM 0 HG22 THR A 84 6.234 -18.470 -4.481 1.00 44.22 H new ATOM 0 HG23 THR A 84 7.773 -18.746 -5.331 1.00 44.22 H new ATOM 1010 N GLU A 85 4.212 -16.446 -6.034 1.00 75.40 N ATOM 1011 CA GLU A 85 2.876 -17.032 -6.006 1.00 64.15 C ATOM 1012 C GLU A 85 2.325 -17.197 -7.420 1.00 53.33 C ATOM 1013 O GLU A 85 1.512 -18.083 -7.681 1.00 33.11 O ATOM 1014 CB GLU A 85 1.930 -16.163 -5.175 1.00 64.22 C ATOM 1015 CG GLU A 85 1.486 -16.816 -3.878 1.00 74.11 C ATOM 1016 CD GLU A 85 2.639 -17.428 -3.108 1.00 21.44 C ATOM 1017 OE1 GLU A 85 3.535 -16.673 -2.677 1.00 53.34 O ATOM 1018 OE2 GLU A 85 2.647 -18.666 -2.937 1.00 71.10 O ATOM 0 H GLU A 85 4.239 -15.446 -5.834 1.00 75.40 H new ATOM 0 HA GLU A 85 2.949 -18.017 -5.546 1.00 64.15 H new ATOM 0 HB2 GLU A 85 2.424 -15.219 -4.946 1.00 64.22 H new ATOM 0 HB3 GLU A 85 1.050 -15.925 -5.772 1.00 64.22 H new ATOM 0 HG2 GLU A 85 0.990 -16.073 -3.253 1.00 74.11 H new ATOM 0 HG3 GLU A 85 0.750 -17.589 -4.098 1.00 74.11 H new ATOM 1025 N ILE A 86 2.772 -16.335 -8.327 1.00 2.10 N ATOM 1026 CA ILE A 86 2.324 -16.383 -9.714 1.00 32.44 C ATOM 1027 C ILE A 86 2.589 -17.754 -10.328 1.00 14.32 C ATOM 1028 O ILE A 86 1.760 -18.284 -11.068 1.00 74.13 O ATOM 1029 CB ILE A 86 3.019 -15.307 -10.568 1.00 34.23 C ATOM 1030 CG1 ILE A 86 2.793 -13.920 -9.963 1.00 62.32 C ATOM 1031 CG2 ILE A 86 2.508 -15.356 -11.999 1.00 73.23 C ATOM 1032 CD1 ILE A 86 3.315 -12.793 -10.826 1.00 51.31 C ATOM 0 H ILE A 86 3.444 -15.595 -8.127 1.00 2.10 H new ATOM 0 HA ILE A 86 1.251 -16.191 -9.707 1.00 32.44 H new ATOM 0 HB ILE A 86 4.090 -15.508 -10.578 1.00 34.23 H new ATOM 0 HG12 ILE A 86 1.726 -13.775 -9.796 1.00 62.32 H new ATOM 0 HG13 ILE A 86 3.277 -13.874 -8.988 1.00 62.32 H new ATOM 0 HG21 ILE A 86 3.009 -14.589 -12.591 1.00 73.23 H new ATOM 0 HG22 ILE A 86 2.716 -16.337 -12.426 1.00 73.23 H new ATOM 0 HG23 ILE A 86 1.433 -15.177 -12.008 1.00 73.23 H new ATOM 0 HD11 ILE A 86 3.121 -11.839 -10.336 1.00 51.31 H new ATOM 0 HD12 ILE A 86 4.388 -12.914 -10.972 1.00 51.31 H new ATOM 0 HD13 ILE A 86 2.813 -12.813 -11.793 1.00 51.31 H new ATOM 1044 N SER A 87 3.748 -18.324 -10.015 1.00 51.41 N ATOM 1045 CA SER A 87 4.122 -19.632 -10.538 1.00 45.55 C ATOM 1046 C SER A 87 4.116 -20.681 -9.431 1.00 22.42 C ATOM 1047 O SER A 87 4.107 -21.883 -9.699 1.00 3.40 O ATOM 1048 CB SER A 87 5.506 -19.568 -11.187 1.00 11.40 C ATOM 1049 OG SER A 87 5.975 -18.232 -11.257 1.00 43.02 O ATOM 0 H SER A 87 4.444 -17.900 -9.402 1.00 51.41 H new ATOM 0 HA SER A 87 3.388 -19.919 -11.291 1.00 45.55 H new ATOM 0 HB2 SER A 87 6.208 -20.174 -10.614 1.00 11.40 H new ATOM 0 HB3 SER A 87 5.461 -19.994 -12.189 1.00 11.40 H new ATOM 0 HG SER A 87 6.709 -18.176 -11.904 1.00 43.02 H new ATOM 1055 N ASN A 88 4.120 -20.219 -8.185 1.00 61.21 N ATOM 1056 CA ASN A 88 4.115 -21.117 -7.036 1.00 21.23 C ATOM 1057 C ASN A 88 5.234 -22.149 -7.147 1.00 35.10 C ATOM 1058 O ASN A 88 5.017 -23.339 -6.921 1.00 42.53 O ATOM 1059 CB ASN A 88 2.763 -21.825 -6.922 1.00 21.02 C ATOM 1060 CG ASN A 88 2.328 -22.010 -5.480 1.00 30.10 C ATOM 1061 OD1 ASN A 88 2.311 -23.127 -4.964 1.00 74.31 O ATOM 1062 ND2 ASN A 88 1.973 -20.911 -4.823 1.00 64.04 N ATOM 0 H ASN A 88 4.127 -19.228 -7.945 1.00 61.21 H new ATOM 0 HA ASN A 88 4.282 -20.520 -6.139 1.00 21.23 H new ATOM 0 HB2 ASN A 88 2.008 -21.248 -7.456 1.00 21.02 H new ATOM 0 HB3 ASN A 88 2.823 -22.799 -7.408 1.00 21.02 H new ATOM 0 HD21 ASN A 88 1.671 -20.973 -3.851 1.00 64.04 H new ATOM 0 HD22 ASN A 88 2.003 -20.005 -5.291 1.00 64.04 H new ATOM 1069 N GLN A 89 6.428 -21.682 -7.496 1.00 60.50 N ATOM 1070 CA GLN A 89 7.580 -22.565 -7.638 1.00 30.55 C ATOM 1071 C GLN A 89 8.727 -22.110 -6.740 1.00 61.32 C ATOM 1072 O GLN A 89 8.859 -20.924 -6.437 1.00 23.53 O ATOM 1073 CB GLN A 89 8.042 -22.606 -9.094 1.00 72.54 C ATOM 1074 CG GLN A 89 7.414 -23.732 -9.900 1.00 51.31 C ATOM 1075 CD GLN A 89 6.439 -23.228 -10.946 1.00 41.31 C ATOM 1076 OE1 GLN A 89 5.319 -23.726 -11.060 1.00 74.42 O ATOM 1077 NE2 GLN A 89 6.861 -22.232 -11.718 1.00 25.31 N ATOM 0 H GLN A 89 6.623 -20.699 -7.685 1.00 60.50 H new ATOM 0 HA GLN A 89 7.278 -23.567 -7.333 1.00 30.55 H new ATOM 0 HB2 GLN A 89 7.804 -21.654 -9.569 1.00 72.54 H new ATOM 0 HB3 GLN A 89 9.126 -22.713 -9.120 1.00 72.54 H new ATOM 0 HG2 GLN A 89 8.201 -24.306 -10.389 1.00 51.31 H new ATOM 0 HG3 GLN A 89 6.896 -24.412 -9.224 1.00 51.31 H new ATOM 0 HE21 GLN A 89 7.797 -21.849 -11.589 1.00 25.31 H new ATOM 0 HE22 GLN A 89 6.248 -21.851 -12.439 1.00 25.31 H new ATOM 1086 N LYS A 90 9.556 -23.060 -6.320 1.00 14.40 N ATOM 1087 CA LYS A 90 10.692 -22.758 -5.459 1.00 3.45 C ATOM 1088 C LYS A 90 11.437 -21.522 -5.954 1.00 11.20 C ATOM 1089 O LYS A 90 11.787 -20.639 -5.169 1.00 11.12 O ATOM 1090 CB LYS A 90 11.647 -23.952 -5.403 1.00 24.23 C ATOM 1091 CG LYS A 90 12.288 -24.156 -4.041 1.00 33.34 C ATOM 1092 CD LYS A 90 13.072 -25.456 -3.981 1.00 70.33 C ATOM 1093 CE LYS A 90 13.581 -25.737 -2.575 1.00 61.01 C ATOM 1094 NZ LYS A 90 12.465 -25.865 -1.598 1.00 5.34 N ATOM 0 H LYS A 90 9.462 -24.046 -6.563 1.00 14.40 H new ATOM 0 HA LYS A 90 10.313 -22.556 -4.457 1.00 3.45 H new ATOM 0 HB2 LYS A 90 11.102 -24.855 -5.678 1.00 24.23 H new ATOM 0 HB3 LYS A 90 12.431 -23.814 -6.147 1.00 24.23 H new ATOM 0 HG2 LYS A 90 12.952 -23.320 -3.822 1.00 33.34 H new ATOM 0 HG3 LYS A 90 11.516 -24.160 -3.272 1.00 33.34 H new ATOM 0 HD2 LYS A 90 12.439 -26.279 -4.311 1.00 70.33 H new ATOM 0 HD3 LYS A 90 13.915 -25.406 -4.671 1.00 70.33 H new ATOM 0 HE2 LYS A 90 14.169 -26.655 -2.578 1.00 61.01 H new ATOM 0 HE3 LYS A 90 14.247 -24.933 -2.262 1.00 61.01 H new ATOM 0 HZ1 LYS A 90 12.803 -26.361 -0.748 1.00 5.34 H new ATOM 0 HZ2 LYS A 90 12.124 -24.918 -1.334 1.00 5.34 H new ATOM 0 HZ3 LYS A 90 11.687 -26.405 -2.028 1.00 5.34 H new ATOM 1108 N THR A 91 11.675 -21.463 -7.260 1.00 21.20 N ATOM 1109 CA THR A 91 12.377 -20.336 -7.860 1.00 2.33 C ATOM 1110 C THR A 91 11.407 -19.221 -8.234 1.00 51.22 C ATOM 1111 O THR A 91 10.221 -19.281 -7.911 1.00 60.22 O ATOM 1112 CB THR A 91 13.159 -20.764 -9.116 1.00 11.45 C ATOM 1113 OG1 THR A 91 12.676 -22.026 -9.587 1.00 75.40 O ATOM 1114 CG2 THR A 91 14.648 -20.865 -8.817 1.00 35.32 C ATOM 0 H THR A 91 11.391 -22.184 -7.923 1.00 21.20 H new ATOM 0 HA THR A 91 13.080 -19.968 -7.113 1.00 2.33 H new ATOM 0 HB THR A 91 13.009 -20.008 -9.886 1.00 11.45 H new ATOM 0 HG1 THR A 91 12.929 -22.143 -10.527 1.00 75.40 H new ATOM 0 HG21 THR A 91 15.180 -21.169 -9.718 1.00 35.32 H new ATOM 0 HG22 THR A 91 15.019 -19.895 -8.486 1.00 35.32 H new ATOM 0 HG23 THR A 91 14.812 -21.604 -8.032 1.00 35.32 H new ATOM 1122 N VAL A 92 11.919 -18.202 -8.919 1.00 33.43 N ATOM 1123 CA VAL A 92 11.098 -17.075 -9.341 1.00 15.34 C ATOM 1124 C VAL A 92 11.004 -17.000 -10.860 1.00 14.51 C ATOM 1125 O VAL A 92 11.294 -15.973 -11.475 1.00 34.54 O ATOM 1126 CB VAL A 92 11.656 -15.742 -8.805 1.00 73.52 C ATOM 1127 CG1 VAL A 92 10.533 -14.739 -8.592 1.00 63.32 C ATOM 1128 CG2 VAL A 92 12.430 -15.969 -7.515 1.00 61.52 C ATOM 0 H VAL A 92 12.899 -18.135 -9.193 1.00 33.43 H new ATOM 0 HA VAL A 92 10.103 -17.237 -8.927 1.00 15.34 H new ATOM 0 HB VAL A 92 12.341 -15.331 -9.546 1.00 73.52 H new ATOM 0 HG11 VAL A 92 10.947 -13.804 -8.213 1.00 63.32 H new ATOM 0 HG12 VAL A 92 10.026 -14.554 -9.539 1.00 63.32 H new ATOM 0 HG13 VAL A 92 9.820 -15.139 -7.871 1.00 63.32 H new ATOM 0 HG21 VAL A 92 12.817 -15.017 -7.151 1.00 61.52 H new ATOM 0 HG22 VAL A 92 11.768 -16.403 -6.765 1.00 61.52 H new ATOM 0 HG23 VAL A 92 13.260 -16.650 -7.704 1.00 61.52 H new ATOM 1138 N PRO A 93 10.588 -18.113 -11.483 1.00 51.20 N ATOM 1139 CA PRO A 93 10.445 -18.199 -12.939 1.00 14.13 C ATOM 1140 C PRO A 93 9.283 -17.357 -13.458 1.00 63.32 C ATOM 1141 O PRO A 93 8.143 -17.526 -13.031 1.00 32.13 O ATOM 1142 CB PRO A 93 10.177 -19.687 -13.182 1.00 11.53 C ATOM 1143 CG PRO A 93 9.580 -20.177 -11.908 1.00 2.54 C ATOM 1144 CD PRO A 93 10.225 -19.373 -10.813 1.00 34.10 C ATOM 0 HA PRO A 93 11.325 -17.820 -13.458 1.00 14.13 H new ATOM 0 HB2 PRO A 93 9.497 -19.835 -14.021 1.00 11.53 H new ATOM 0 HB3 PRO A 93 11.097 -20.221 -13.420 1.00 11.53 H new ATOM 0 HG2 PRO A 93 8.498 -20.042 -11.906 1.00 2.54 H new ATOM 0 HG3 PRO A 93 9.768 -21.242 -11.773 1.00 2.54 H new ATOM 0 HD2 PRO A 93 9.540 -19.203 -9.982 1.00 34.10 H new ATOM 0 HD3 PRO A 93 11.101 -19.878 -10.406 1.00 34.10 H new ATOM 1152 N ASN A 94 9.583 -16.449 -14.383 1.00 22.43 N ATOM 1153 CA ASN A 94 8.564 -15.581 -14.960 1.00 75.01 C ATOM 1154 C ASN A 94 8.733 -15.476 -16.472 1.00 52.35 C ATOM 1155 O ASN A 94 9.723 -14.931 -16.960 1.00 52.02 O ATOM 1156 CB ASN A 94 8.634 -14.189 -14.329 1.00 73.32 C ATOM 1157 CG ASN A 94 7.429 -13.888 -13.459 1.00 44.54 C ATOM 1158 OD1 ASN A 94 6.898 -12.776 -13.478 1.00 4.33 O ATOM 1159 ND2 ASN A 94 6.991 -14.878 -12.691 1.00 41.23 N ATOM 0 H ASN A 94 10.523 -16.296 -14.748 1.00 22.43 H new ATOM 0 HA ASN A 94 7.588 -16.018 -14.751 1.00 75.01 H new ATOM 0 HB2 ASN A 94 9.541 -14.110 -13.729 1.00 73.32 H new ATOM 0 HB3 ASN A 94 8.707 -13.439 -15.117 1.00 73.32 H new ATOM 0 HD21 ASN A 94 6.184 -14.734 -12.084 1.00 41.23 H new ATOM 0 HD22 ASN A 94 7.462 -15.783 -12.707 1.00 41.23 H new ATOM 1166 N ILE A 95 7.759 -16.001 -17.209 1.00 32.34 N ATOM 1167 CA ILE A 95 7.798 -15.965 -18.665 1.00 52.21 C ATOM 1168 C ILE A 95 6.473 -15.475 -19.239 1.00 2.10 C ATOM 1169 O ILE A 95 5.494 -16.220 -19.289 1.00 51.02 O ATOM 1170 CB ILE A 95 8.120 -17.350 -19.255 1.00 33.23 C ATOM 1171 CG1 ILE A 95 7.548 -18.454 -18.362 1.00 3.35 C ATOM 1172 CG2 ILE A 95 9.622 -17.521 -19.420 1.00 41.42 C ATOM 1173 CD1 ILE A 95 8.480 -18.871 -17.245 1.00 63.24 C ATOM 0 H ILE A 95 6.933 -16.456 -16.821 1.00 32.34 H new ATOM 0 HA ILE A 95 8.590 -15.269 -18.942 1.00 52.21 H new ATOM 0 HB ILE A 95 7.656 -17.426 -20.238 1.00 33.23 H new ATOM 0 HG12 ILE A 95 6.608 -18.111 -17.931 1.00 3.35 H new ATOM 0 HG13 ILE A 95 7.318 -19.324 -18.976 1.00 3.35 H new ATOM 0 HG21 ILE A 95 9.832 -18.505 -19.838 1.00 41.42 H new ATOM 0 HG22 ILE A 95 10.004 -16.752 -20.092 1.00 41.42 H new ATOM 0 HG23 ILE A 95 10.108 -17.428 -18.449 1.00 41.42 H new ATOM 0 HD11 ILE A 95 8.010 -19.656 -16.653 1.00 63.24 H new ATOM 0 HD12 ILE A 95 9.412 -19.245 -17.669 1.00 63.24 H new ATOM 0 HD13 ILE A 95 8.691 -18.012 -16.607 1.00 63.24 H new ATOM 1185 N PHE A 96 6.449 -14.219 -19.673 1.00 3.24 N ATOM 1186 CA PHE A 96 5.244 -13.629 -20.244 1.00 65.52 C ATOM 1187 C PHE A 96 5.594 -12.674 -21.381 1.00 15.00 C ATOM 1188 O PHE A 96 6.310 -11.693 -21.185 1.00 12.23 O ATOM 1189 CB PHE A 96 4.453 -12.888 -19.165 1.00 54.00 C ATOM 1190 CG PHE A 96 4.209 -13.709 -17.930 1.00 54.54 C ATOM 1191 CD1 PHE A 96 5.194 -13.843 -16.966 1.00 41.10 C ATOM 1192 CD2 PHE A 96 2.993 -14.344 -17.735 1.00 23.31 C ATOM 1193 CE1 PHE A 96 4.972 -14.598 -15.830 1.00 21.44 C ATOM 1194 CE2 PHE A 96 2.765 -15.101 -16.600 1.00 43.11 C ATOM 1195 CZ PHE A 96 3.756 -15.227 -15.646 1.00 51.42 C ATOM 0 H PHE A 96 7.251 -13.590 -19.640 1.00 3.24 H new ATOM 0 HA PHE A 96 4.629 -14.435 -20.646 1.00 65.52 H new ATOM 0 HB2 PHE A 96 4.992 -11.982 -18.889 1.00 54.00 H new ATOM 0 HB3 PHE A 96 3.494 -12.575 -19.579 1.00 54.00 H new ATOM 0 HD1 PHE A 96 6.146 -13.352 -17.103 1.00 41.10 H new ATOM 0 HD2 PHE A 96 2.215 -14.247 -18.477 1.00 23.31 H new ATOM 0 HE1 PHE A 96 5.749 -14.696 -15.086 1.00 21.44 H new ATOM 0 HE2 PHE A 96 1.814 -15.593 -16.460 1.00 43.11 H new ATOM 0 HZ PHE A 96 3.580 -15.816 -14.758 1.00 51.42 H new ATOM 1205 N VAL A 97 5.081 -12.970 -22.572 1.00 4.42 N ATOM 1206 CA VAL A 97 5.338 -12.137 -23.742 1.00 22.32 C ATOM 1207 C VAL A 97 4.039 -11.590 -24.322 1.00 60.40 C ATOM 1208 O VAL A 97 3.002 -12.252 -24.282 1.00 72.13 O ATOM 1209 CB VAL A 97 6.085 -12.922 -24.836 1.00 62.33 C ATOM 1210 CG1 VAL A 97 5.239 -14.085 -25.332 1.00 62.43 C ATOM 1211 CG2 VAL A 97 6.467 -12.002 -25.985 1.00 41.35 C ATOM 0 H VAL A 97 4.486 -13.779 -22.752 1.00 4.42 H new ATOM 0 HA VAL A 97 5.962 -11.308 -23.410 1.00 22.32 H new ATOM 0 HB VAL A 97 7.001 -13.328 -24.406 1.00 62.33 H new ATOM 0 HG11 VAL A 97 5.784 -14.628 -26.105 1.00 62.43 H new ATOM 0 HG12 VAL A 97 5.021 -14.757 -24.502 1.00 62.43 H new ATOM 0 HG13 VAL A 97 4.305 -13.705 -25.746 1.00 62.43 H new ATOM 0 HG21 VAL A 97 6.994 -12.574 -26.749 1.00 41.35 H new ATOM 0 HG22 VAL A 97 5.566 -11.565 -26.416 1.00 41.35 H new ATOM 0 HG23 VAL A 97 7.115 -11.207 -25.615 1.00 41.35 H new ATOM 1221 N ASN A 98 4.103 -10.377 -24.861 1.00 74.13 N ATOM 1222 CA ASN A 98 2.930 -9.740 -25.450 1.00 41.03 C ATOM 1223 C ASN A 98 1.719 -9.875 -24.533 1.00 12.34 C ATOM 1224 O ASN A 98 0.605 -10.130 -24.990 1.00 53.12 O ATOM 1225 CB ASN A 98 2.621 -10.357 -26.816 1.00 40.23 C ATOM 1226 CG ASN A 98 2.219 -11.815 -26.714 1.00 15.14 C ATOM 1227 OD1 ASN A 98 1.072 -12.133 -26.400 1.00 32.44 O ATOM 1228 ND2 ASN A 98 3.164 -12.710 -26.979 1.00 52.13 N ATOM 0 H ASN A 98 4.954 -9.816 -24.902 1.00 74.13 H new ATOM 0 HA ASN A 98 3.149 -8.680 -25.578 1.00 41.03 H new ATOM 0 HB2 ASN A 98 1.818 -9.794 -27.293 1.00 40.23 H new ATOM 0 HB3 ASN A 98 3.497 -10.269 -27.458 1.00 40.23 H new ATOM 0 HD21 ASN A 98 2.952 -13.706 -26.926 1.00 52.13 H new ATOM 0 HD22 ASN A 98 4.102 -12.401 -27.235 1.00 52.13 H new ATOM 1235 N LYS A 99 1.945 -9.701 -23.235 1.00 52.34 N ATOM 1236 CA LYS A 99 0.873 -9.801 -22.251 1.00 70.04 C ATOM 1237 C LYS A 99 0.244 -11.190 -22.272 1.00 13.33 C ATOM 1238 O LYS A 99 -0.977 -11.330 -22.196 1.00 71.13 O ATOM 1239 CB LYS A 99 -0.197 -8.740 -22.522 1.00 64.33 C ATOM 1240 CG LYS A 99 0.361 -7.332 -22.650 1.00 32.55 C ATOM 1241 CD LYS A 99 0.222 -6.803 -24.067 1.00 13.02 C ATOM 1242 CE LYS A 99 0.754 -5.383 -24.186 1.00 34.21 C ATOM 1243 NZ LYS A 99 1.194 -5.070 -25.574 1.00 74.21 N ATOM 0 H LYS A 99 2.861 -9.490 -22.840 1.00 52.34 H new ATOM 0 HA LYS A 99 1.302 -9.631 -21.264 1.00 70.04 H new ATOM 0 HB2 LYS A 99 -0.727 -8.997 -23.439 1.00 64.33 H new ATOM 0 HB3 LYS A 99 -0.929 -8.760 -21.715 1.00 64.33 H new ATOM 0 HG2 LYS A 99 -0.161 -6.669 -21.960 1.00 32.55 H new ATOM 0 HG3 LYS A 99 1.412 -7.329 -22.361 1.00 32.55 H new ATOM 0 HD2 LYS A 99 0.762 -7.454 -24.754 1.00 13.02 H new ATOM 0 HD3 LYS A 99 -0.827 -6.826 -24.364 1.00 13.02 H new ATOM 0 HE2 LYS A 99 -0.021 -4.678 -23.883 1.00 34.21 H new ATOM 0 HE3 LYS A 99 1.591 -5.250 -23.501 1.00 34.21 H new ATOM 0 HZ1 LYS A 99 1.550 -4.094 -25.614 1.00 74.21 H new ATOM 0 HZ2 LYS A 99 1.951 -5.726 -25.854 1.00 74.21 H new ATOM 0 HZ3 LYS A 99 0.389 -5.172 -26.225 1.00 74.21 H new ATOM 1257 N VAL A 100 1.084 -12.214 -22.373 1.00 61.22 N ATOM 1258 CA VAL A 100 0.609 -13.593 -22.401 1.00 22.00 C ATOM 1259 C VAL A 100 1.397 -14.465 -21.430 1.00 13.34 C ATOM 1260 O VAL A 100 2.523 -14.135 -21.055 1.00 63.55 O ATOM 1261 CB VAL A 100 0.714 -14.194 -23.815 1.00 43.20 C ATOM 1262 CG1 VAL A 100 2.031 -14.939 -23.982 1.00 75.24 C ATOM 1263 CG2 VAL A 100 -0.466 -15.112 -24.092 1.00 75.31 C ATOM 0 H VAL A 100 2.097 -12.116 -22.437 1.00 61.22 H new ATOM 0 HA VAL A 100 -0.438 -13.574 -22.100 1.00 22.00 H new ATOM 0 HB VAL A 100 0.690 -13.380 -24.540 1.00 43.20 H new ATOM 0 HG11 VAL A 100 2.088 -15.357 -24.987 1.00 75.24 H new ATOM 0 HG12 VAL A 100 2.861 -14.249 -23.828 1.00 75.24 H new ATOM 0 HG13 VAL A 100 2.089 -15.745 -23.250 1.00 75.24 H new ATOM 0 HG21 VAL A 100 -0.376 -15.528 -25.095 1.00 75.31 H new ATOM 0 HG22 VAL A 100 -0.476 -15.922 -23.363 1.00 75.31 H new ATOM 0 HG23 VAL A 100 -1.394 -14.545 -24.017 1.00 75.31 H new ATOM 1273 N HIS A 101 0.798 -15.579 -21.024 1.00 73.44 N ATOM 1274 CA HIS A 101 1.444 -16.501 -20.097 1.00 15.12 C ATOM 1275 C HIS A 101 2.086 -17.665 -20.845 1.00 73.44 C ATOM 1276 O HIS A 101 1.473 -18.259 -21.734 1.00 44.42 O ATOM 1277 CB HIS A 101 0.431 -17.030 -19.081 1.00 73.14 C ATOM 1278 CG HIS A 101 -0.815 -17.579 -19.708 1.00 22.45 C ATOM 1279 ND1 HIS A 101 -1.928 -16.809 -19.969 1.00 35.43 N ATOM 1280 CD2 HIS A 101 -1.116 -18.830 -20.126 1.00 54.13 C ATOM 1281 CE1 HIS A 101 -2.863 -17.564 -20.519 1.00 41.10 C ATOM 1282 NE2 HIS A 101 -2.395 -18.794 -20.626 1.00 63.44 N ATOM 0 H HIS A 101 -0.134 -15.866 -21.322 1.00 73.44 H new ATOM 0 HA HIS A 101 2.227 -15.956 -19.569 1.00 15.12 H new ATOM 0 HB2 HIS A 101 0.902 -17.811 -18.483 1.00 73.14 H new ATOM 0 HB3 HIS A 101 0.160 -16.225 -18.398 1.00 73.14 H new ATOM 0 HD2 HIS A 101 -0.471 -19.695 -20.076 1.00 54.13 H new ATOM 0 HE1 HIS A 101 -3.843 -17.232 -20.828 1.00 41.10 H new ATOM 0 HE2 HIS A 101 -2.901 -19.589 -21.017 1.00 63.44 H new ATOM 1290 N VAL A 102 3.323 -17.986 -20.481 1.00 60.51 N ATOM 1291 CA VAL A 102 4.048 -19.080 -21.119 1.00 21.13 C ATOM 1292 C VAL A 102 4.118 -20.298 -20.204 1.00 65.45 C ATOM 1293 O VAL A 102 3.960 -21.433 -20.653 1.00 12.55 O ATOM 1294 CB VAL A 102 5.478 -18.656 -21.503 1.00 73.25 C ATOM 1295 CG1 VAL A 102 6.233 -19.823 -22.120 1.00 30.50 C ATOM 1296 CG2 VAL A 102 5.443 -17.470 -22.456 1.00 43.20 C ATOM 0 H VAL A 102 3.845 -17.505 -19.748 1.00 60.51 H new ATOM 0 HA VAL A 102 3.499 -19.340 -22.024 1.00 21.13 H new ATOM 0 HB VAL A 102 6.004 -18.352 -20.598 1.00 73.25 H new ATOM 0 HG11 VAL A 102 7.241 -19.505 -22.385 1.00 30.50 H new ATOM 0 HG12 VAL A 102 6.288 -20.641 -21.402 1.00 30.50 H new ATOM 0 HG13 VAL A 102 5.712 -20.161 -23.016 1.00 30.50 H new ATOM 0 HG21 VAL A 102 6.462 -17.183 -22.717 1.00 43.20 H new ATOM 0 HG22 VAL A 102 4.900 -17.746 -23.360 1.00 43.20 H new ATOM 0 HG23 VAL A 102 4.942 -16.631 -21.974 1.00 43.20 H new ATOM 1306 N GLY A 103 4.359 -20.054 -18.920 1.00 63.53 N ATOM 1307 CA GLY A 103 4.447 -21.141 -17.963 1.00 31.43 C ATOM 1308 C GLY A 103 5.851 -21.327 -17.423 1.00 23.02 C ATOM 1309 O GLY A 103 6.144 -20.948 -16.289 1.00 54.24 O ATOM 0 H GLY A 103 4.495 -19.123 -18.525 1.00 63.53 H new ATOM 0 HA2 GLY A 103 3.765 -20.948 -17.135 1.00 31.43 H new ATOM 0 HA3 GLY A 103 4.118 -22.066 -18.437 1.00 31.43 H new ATOM 1313 N GLY A 104 6.723 -21.914 -18.237 1.00 45.31 N ATOM 1314 CA GLY A 104 8.094 -22.140 -17.816 1.00 41.42 C ATOM 1315 C GLY A 104 8.309 -23.537 -17.268 1.00 2.23 C ATOM 1316 O GLY A 104 7.358 -24.306 -17.121 1.00 40.43 O ATOM 0 H GLY A 104 6.505 -22.237 -19.180 1.00 45.31 H new ATOM 0 HA2 GLY A 104 8.762 -21.978 -18.662 1.00 41.42 H new ATOM 0 HA3 GLY A 104 8.362 -21.409 -17.054 1.00 41.42 H new ATOM 1320 N CYS A 105 9.559 -23.866 -16.965 1.00 41.20 N ATOM 1321 CA CYS A 105 9.896 -25.180 -16.432 1.00 20.33 C ATOM 1322 C CYS A 105 9.779 -26.252 -17.511 1.00 15.34 C ATOM 1323 O CYS A 105 10.781 -26.815 -17.953 1.00 11.41 O ATOM 1324 CB CYS A 105 8.984 -25.525 -15.254 1.00 20.25 C ATOM 1325 SG CYS A 105 9.671 -26.760 -14.124 1.00 54.33 S ATOM 0 H CYS A 105 10.356 -23.240 -17.079 1.00 41.20 H new ATOM 0 HA CYS A 105 10.929 -25.149 -16.086 1.00 20.33 H new ATOM 0 HB2 CYS A 105 8.772 -24.614 -14.694 1.00 20.25 H new ATOM 0 HB3 CYS A 105 8.033 -25.891 -15.640 1.00 20.25 H new ATOM 0 HG CYS A 105 8.828 -26.983 -13.160 1.00 54.33 H new ATOM 1331 N ASP A 106 8.549 -26.530 -17.930 1.00 32.55 N ATOM 1332 CA ASP A 106 8.300 -27.534 -18.957 1.00 72.41 C ATOM 1333 C ASP A 106 7.546 -26.930 -20.136 1.00 54.31 C ATOM 1334 O ASP A 106 7.500 -27.512 -21.221 1.00 42.50 O ATOM 1335 CB ASP A 106 7.507 -28.705 -18.374 1.00 21.11 C ATOM 1336 CG ASP A 106 7.394 -29.867 -19.341 1.00 12.51 C ATOM 1337 OD1 ASP A 106 8.178 -29.909 -20.312 1.00 30.23 O ATOM 1338 OD2 ASP A 106 6.520 -30.734 -19.128 1.00 43.20 O ATOM 0 H ASP A 106 7.709 -26.074 -17.574 1.00 32.55 H new ATOM 0 HA ASP A 106 9.263 -27.899 -19.314 1.00 72.41 H new ATOM 0 HB2 ASP A 106 7.988 -29.045 -17.457 1.00 21.11 H new ATOM 0 HB3 ASP A 106 6.508 -28.364 -18.102 1.00 21.11 H new ATOM 1343 N ARG A 107 6.953 -25.761 -19.917 1.00 2.54 N ATOM 1344 CA ARG A 107 6.199 -25.078 -20.961 1.00 52.03 C ATOM 1345 C ARG A 107 7.126 -24.269 -21.862 1.00 43.30 C ATOM 1346 O ARG A 107 7.169 -24.475 -23.075 1.00 31.34 O ATOM 1347 CB ARG A 107 5.144 -24.161 -20.340 1.00 11.51 C ATOM 1348 CG ARG A 107 3.765 -24.309 -20.962 1.00 65.54 C ATOM 1349 CD ARG A 107 3.763 -23.880 -22.421 1.00 74.24 C ATOM 1350 NE ARG A 107 2.930 -24.750 -23.246 1.00 74.32 N ATOM 1351 CZ ARG A 107 1.602 -24.747 -23.209 1.00 33.32 C ATOM 1352 NH1 ARG A 107 0.959 -23.924 -22.392 1.00 64.20 N ATOM 1353 NH2 ARG A 107 0.913 -25.569 -23.991 1.00 25.41 N ATOM 0 H ARG A 107 6.980 -25.267 -19.025 1.00 2.54 H new ATOM 0 HA ARG A 107 5.701 -25.834 -21.568 1.00 52.03 H new ATOM 0 HB2 ARG A 107 5.076 -24.371 -19.272 1.00 11.51 H new ATOM 0 HB3 ARG A 107 5.470 -23.126 -20.442 1.00 11.51 H new ATOM 0 HG2 ARG A 107 3.440 -25.347 -20.886 1.00 65.54 H new ATOM 0 HG3 ARG A 107 3.047 -23.708 -20.404 1.00 65.54 H new ATOM 0 HD2 ARG A 107 3.402 -22.854 -22.497 1.00 74.24 H new ATOM 0 HD3 ARG A 107 4.784 -23.888 -22.802 1.00 74.24 H new ATOM 0 HE ARG A 107 3.393 -25.395 -23.886 1.00 74.32 H new ATOM 0 HH11 ARG A 107 1.484 -23.290 -21.789 1.00 64.20 H new ATOM 0 HH12 ARG A 107 -0.061 -23.924 -22.366 1.00 64.20 H new ATOM 0 HH21 ARG A 107 1.403 -26.204 -24.621 1.00 25.41 H new ATOM 0 HH22 ARG A 107 -0.107 -25.566 -23.962 1.00 25.41 H new ATOM 1367 N THR A 108 7.869 -23.344 -21.260 1.00 72.02 N ATOM 1368 CA THR A 108 8.795 -22.502 -22.007 1.00 72.01 C ATOM 1369 C THR A 108 9.868 -23.340 -22.693 1.00 52.14 C ATOM 1370 O THR A 108 10.434 -22.931 -23.707 1.00 42.22 O ATOM 1371 CB THR A 108 9.475 -21.466 -21.093 1.00 23.22 C ATOM 1372 OG1 THR A 108 8.498 -20.562 -20.566 1.00 3.11 O ATOM 1373 CG2 THR A 108 10.537 -20.687 -21.853 1.00 41.32 C ATOM 0 H THR A 108 7.847 -23.160 -20.257 1.00 72.02 H new ATOM 0 HA THR A 108 8.208 -21.979 -22.762 1.00 72.01 H new ATOM 0 HB THR A 108 9.956 -21.999 -20.273 1.00 23.22 H new ATOM 0 HG1 THR A 108 8.620 -19.677 -20.969 1.00 3.11 H new ATOM 0 HG21 THR A 108 11.003 -19.962 -21.186 1.00 41.32 H new ATOM 0 HG22 THR A 108 11.295 -21.375 -22.227 1.00 41.32 H new ATOM 0 HG23 THR A 108 10.075 -20.165 -22.691 1.00 41.32 H new ATOM 1381 N PHE A 109 10.143 -24.514 -22.135 1.00 61.23 N ATOM 1382 CA PHE A 109 11.149 -25.409 -22.694 1.00 65.52 C ATOM 1383 C PHE A 109 10.557 -26.263 -23.811 1.00 73.24 C ATOM 1384 O PHE A 109 11.168 -26.434 -24.866 1.00 30.31 O ATOM 1385 CB PHE A 109 11.725 -26.310 -21.599 1.00 60.22 C ATOM 1386 CG PHE A 109 13.201 -26.125 -21.386 1.00 75.04 C ATOM 1387 CD1 PHE A 109 13.716 -24.883 -21.053 1.00 41.44 C ATOM 1388 CD2 PHE A 109 14.072 -27.194 -21.519 1.00 52.22 C ATOM 1389 CE1 PHE A 109 15.073 -24.711 -20.857 1.00 54.22 C ATOM 1390 CE2 PHE A 109 15.430 -27.027 -21.325 1.00 23.21 C ATOM 1391 CZ PHE A 109 15.932 -25.785 -20.992 1.00 15.41 C ATOM 0 H PHE A 109 9.683 -24.868 -21.296 1.00 61.23 H new ATOM 0 HA PHE A 109 11.950 -24.799 -23.112 1.00 65.52 H new ATOM 0 HB2 PHE A 109 11.203 -26.110 -20.663 1.00 60.22 H new ATOM 0 HB3 PHE A 109 11.531 -27.351 -21.857 1.00 60.22 H new ATOM 0 HD1 PHE A 109 13.050 -24.040 -20.945 1.00 41.44 H new ATOM 0 HD2 PHE A 109 13.685 -28.169 -21.777 1.00 52.22 H new ATOM 0 HE1 PHE A 109 15.462 -23.737 -20.598 1.00 54.22 H new ATOM 0 HE2 PHE A 109 16.099 -27.868 -21.434 1.00 23.21 H new ATOM 0 HZ PHE A 109 16.993 -25.653 -20.837 1.00 15.41 H new ATOM 1401 N GLN A 110 9.364 -26.796 -23.571 1.00 75.51 N ATOM 1402 CA GLN A 110 8.689 -27.634 -24.556 1.00 42.44 C ATOM 1403 C GLN A 110 8.228 -26.806 -25.751 1.00 3.42 C ATOM 1404 O GLN A 110 8.560 -27.112 -26.896 1.00 14.13 O ATOM 1405 CB GLN A 110 7.492 -28.344 -23.921 1.00 2.51 C ATOM 1406 CG GLN A 110 6.783 -29.303 -24.863 1.00 22.14 C ATOM 1407 CD GLN A 110 7.736 -30.274 -25.532 1.00 53.12 C ATOM 1408 OE1 GLN A 110 7.700 -30.456 -26.749 1.00 61.01 O ATOM 1409 NE2 GLN A 110 8.594 -30.903 -24.739 1.00 31.40 N ATOM 0 H GLN A 110 8.844 -26.663 -22.703 1.00 75.51 H new ATOM 0 HA GLN A 110 9.401 -28.381 -24.907 1.00 42.44 H new ATOM 0 HB2 GLN A 110 7.831 -28.894 -23.043 1.00 2.51 H new ATOM 0 HB3 GLN A 110 6.779 -27.596 -23.573 1.00 2.51 H new ATOM 0 HG2 GLN A 110 6.031 -29.863 -24.307 1.00 22.14 H new ATOM 0 HG3 GLN A 110 6.256 -28.732 -25.627 1.00 22.14 H new ATOM 0 HE21 GLN A 110 8.588 -30.721 -23.735 1.00 31.40 H new ATOM 0 HE22 GLN A 110 9.259 -31.568 -25.133 1.00 31.40 H new ATOM 1418 N ALA A 111 7.462 -25.754 -25.476 1.00 62.02 N ATOM 1419 CA ALA A 111 6.958 -24.880 -26.528 1.00 71.42 C ATOM 1420 C ALA A 111 8.081 -24.438 -27.460 1.00 13.53 C ATOM 1421 O ALA A 111 7.856 -24.183 -28.643 1.00 21.41 O ATOM 1422 CB ALA A 111 6.264 -23.671 -25.921 1.00 5.41 C ATOM 0 H ALA A 111 7.177 -25.487 -24.534 1.00 62.02 H new ATOM 0 HA ALA A 111 6.234 -25.442 -27.118 1.00 71.42 H new ATOM 0 HB1 ALA A 111 5.892 -23.027 -26.718 1.00 5.41 H new ATOM 0 HB2 ALA A 111 5.429 -24.003 -25.303 1.00 5.41 H new ATOM 0 HB3 ALA A 111 6.972 -23.116 -25.306 1.00 5.41 H new ATOM 1428 N HIS A 112 9.292 -24.346 -26.918 1.00 14.33 N ATOM 1429 CA HIS A 112 10.451 -23.932 -27.701 1.00 14.30 C ATOM 1430 C HIS A 112 10.736 -24.932 -28.817 1.00 54.21 C ATOM 1431 O HIS A 112 10.735 -24.576 -29.995 1.00 75.32 O ATOM 1432 CB HIS A 112 11.677 -23.792 -26.800 1.00 4.10 C ATOM 1433 CG HIS A 112 12.967 -23.697 -27.555 1.00 4.40 C ATOM 1434 ND1 HIS A 112 14.137 -24.289 -27.126 1.00 12.51 N ATOM 1435 CD2 HIS A 112 13.268 -23.074 -28.719 1.00 22.53 C ATOM 1436 CE1 HIS A 112 15.100 -24.033 -27.992 1.00 2.14 C ATOM 1437 NE2 HIS A 112 14.599 -23.298 -28.969 1.00 64.40 N ATOM 0 H HIS A 112 9.496 -24.553 -25.940 1.00 14.33 H new ATOM 0 HA HIS A 112 10.229 -22.965 -28.152 1.00 14.30 H new ATOM 0 HB2 HIS A 112 11.562 -22.903 -26.180 1.00 4.10 H new ATOM 0 HB3 HIS A 112 11.722 -24.647 -26.126 1.00 4.10 H new ATOM 0 HD2 HIS A 112 12.587 -22.506 -29.336 1.00 22.53 H new ATOM 0 HE1 HIS A 112 16.124 -24.368 -27.915 1.00 2.14 H new ATOM 0 HE2 HIS A 112 15.117 -22.953 -29.777 1.00 64.40 H new ATOM 1445 N GLN A 113 10.980 -26.181 -28.438 1.00 61.14 N ATOM 1446 CA GLN A 113 11.269 -27.231 -29.408 1.00 4.13 C ATOM 1447 C GLN A 113 9.989 -27.719 -30.079 1.00 44.50 C ATOM 1448 O GLN A 113 10.035 -28.399 -31.103 1.00 34.23 O ATOM 1449 CB GLN A 113 11.980 -28.402 -28.728 1.00 10.23 C ATOM 1450 CG GLN A 113 13.405 -28.085 -28.304 1.00 21.15 C ATOM 1451 CD GLN A 113 14.043 -29.210 -27.513 1.00 43.10 C ATOM 1452 OE1 GLN A 113 14.902 -29.931 -28.021 1.00 71.41 O ATOM 1453 NE2 GLN A 113 13.626 -29.366 -26.262 1.00 72.21 N ATOM 0 H GLN A 113 10.984 -26.492 -27.466 1.00 61.14 H new ATOM 0 HA GLN A 113 11.923 -26.813 -30.173 1.00 4.13 H new ATOM 0 HB2 GLN A 113 11.407 -28.704 -27.851 1.00 10.23 H new ATOM 0 HB3 GLN A 113 11.993 -29.253 -29.409 1.00 10.23 H new ATOM 0 HG2 GLN A 113 14.007 -27.882 -29.190 1.00 21.15 H new ATOM 0 HG3 GLN A 113 13.407 -27.176 -27.702 1.00 21.15 H new ATOM 0 HE21 GLN A 113 12.912 -28.745 -25.881 1.00 72.21 H new ATOM 0 HE22 GLN A 113 14.020 -30.106 -25.682 1.00 72.21 H new ATOM 1462 N ASN A 114 8.849 -27.366 -29.495 1.00 11.04 N ATOM 1463 CA ASN A 114 7.556 -27.769 -30.036 1.00 72.44 C ATOM 1464 C ASN A 114 7.046 -26.746 -31.046 1.00 43.11 C ATOM 1465 O ASN A 114 6.162 -27.038 -31.850 1.00 14.55 O ATOM 1466 CB ASN A 114 6.537 -27.938 -28.907 1.00 24.45 C ATOM 1467 CG ASN A 114 5.116 -28.052 -29.423 1.00 40.11 C ATOM 1468 OD1 ASN A 114 4.858 -28.723 -30.422 1.00 34.42 O ATOM 1469 ND2 ASN A 114 4.186 -27.392 -28.743 1.00 20.21 N ATOM 0 H ASN A 114 8.794 -26.802 -28.647 1.00 11.04 H new ATOM 0 HA ASN A 114 7.686 -28.724 -30.546 1.00 72.44 H new ATOM 0 HB2 ASN A 114 6.783 -28.829 -28.329 1.00 24.45 H new ATOM 0 HB3 ASN A 114 6.607 -27.088 -28.228 1.00 24.45 H new ATOM 0 HD21 ASN A 114 3.212 -27.429 -29.043 1.00 20.21 H new ATOM 0 HD22 ASN A 114 4.446 -26.848 -27.920 1.00 20.21 H new ATOM 1476 N GLY A 115 7.613 -25.544 -31.000 1.00 10.41 N ATOM 1477 CA GLY A 115 7.204 -24.495 -31.916 1.00 72.42 C ATOM 1478 C GLY A 115 6.080 -23.644 -31.358 1.00 54.12 C ATOM 1479 O GLY A 115 5.708 -22.629 -31.948 1.00 5.42 O ATOM 0 H GLY A 115 8.348 -25.278 -30.345 1.00 10.41 H new ATOM 0 HA2 GLY A 115 8.060 -23.859 -32.141 1.00 72.42 H new ATOM 0 HA3 GLY A 115 6.884 -24.943 -32.857 1.00 72.42 H new ATOM 1483 N LEU A 116 5.534 -24.059 -30.221 1.00 51.20 N ATOM 1484 CA LEU A 116 4.444 -23.329 -29.584 1.00 3.30 C ATOM 1485 C LEU A 116 4.945 -22.021 -28.980 1.00 10.42 C ATOM 1486 O LEU A 116 4.163 -21.106 -28.719 1.00 10.35 O ATOM 1487 CB LEU A 116 3.793 -24.188 -28.499 1.00 0.10 C ATOM 1488 CG LEU A 116 2.528 -23.616 -27.858 1.00 73.34 C ATOM 1489 CD1 LEU A 116 2.885 -22.680 -26.714 1.00 1.21 C ATOM 1490 CD2 LEU A 116 1.684 -22.894 -28.898 1.00 1.11 C ATOM 0 H LEU A 116 5.828 -24.898 -29.721 1.00 51.20 H new ATOM 0 HA LEU A 116 3.702 -23.095 -30.347 1.00 3.30 H new ATOM 0 HB2 LEU A 116 3.550 -25.159 -28.930 1.00 0.10 H new ATOM 0 HB3 LEU A 116 4.527 -24.363 -27.713 1.00 0.10 H new ATOM 0 HG LEU A 116 1.943 -24.442 -27.454 1.00 73.34 H new ATOM 0 HD11 LEU A 116 1.972 -22.283 -26.270 1.00 1.21 H new ATOM 0 HD12 LEU A 116 3.447 -23.228 -25.958 1.00 1.21 H new ATOM 0 HD13 LEU A 116 3.492 -21.858 -27.093 1.00 1.21 H new ATOM 0 HD21 LEU A 116 0.788 -22.493 -28.425 1.00 1.11 H new ATOM 0 HD22 LEU A 116 2.261 -22.078 -29.332 1.00 1.11 H new ATOM 0 HD23 LEU A 116 1.398 -23.593 -29.683 1.00 1.11 H new ATOM 1502 N LEU A 117 6.253 -21.937 -28.762 1.00 75.41 N ATOM 1503 CA LEU A 117 6.859 -20.739 -28.191 1.00 64.52 C ATOM 1504 C LEU A 117 7.226 -19.741 -29.285 1.00 24.14 C ATOM 1505 O LEU A 117 6.856 -18.570 -29.218 1.00 70.41 O ATOM 1506 CB LEU A 117 8.104 -21.111 -27.384 1.00 15.52 C ATOM 1507 CG LEU A 117 8.407 -20.226 -26.174 1.00 54.50 C ATOM 1508 CD1 LEU A 117 7.355 -20.422 -25.092 1.00 61.23 C ATOM 1509 CD2 LEU A 117 9.796 -20.524 -25.629 1.00 4.12 C ATOM 0 H LEU A 117 6.914 -22.685 -28.972 1.00 75.41 H new ATOM 0 HA LEU A 117 6.130 -20.271 -27.529 1.00 64.52 H new ATOM 0 HB2 LEU A 117 7.995 -22.139 -27.039 1.00 15.52 H new ATOM 0 HB3 LEU A 117 8.966 -21.088 -28.051 1.00 15.52 H new ATOM 0 HG LEU A 117 8.380 -19.185 -26.495 1.00 54.50 H new ATOM 0 HD11 LEU A 117 7.587 -19.784 -24.239 1.00 61.23 H new ATOM 0 HD12 LEU A 117 6.374 -20.158 -25.486 1.00 61.23 H new ATOM 0 HD13 LEU A 117 7.349 -21.465 -24.775 1.00 61.23 H new ATOM 0 HD21 LEU A 117 9.994 -19.885 -24.769 1.00 4.12 H new ATOM 0 HD22 LEU A 117 9.851 -21.569 -25.325 1.00 4.12 H new ATOM 0 HD23 LEU A 117 10.539 -20.332 -26.403 1.00 4.12 H new ATOM 1521 N GLN A 118 7.955 -20.215 -30.290 1.00 60.15 N ATOM 1522 CA GLN A 118 8.372 -19.364 -31.398 1.00 55.15 C ATOM 1523 C GLN A 118 7.167 -18.693 -32.052 1.00 3.12 C ATOM 1524 O GLN A 118 7.241 -17.542 -32.481 1.00 12.23 O ATOM 1525 CB GLN A 118 9.141 -20.182 -32.437 1.00 72.03 C ATOM 1526 CG GLN A 118 8.247 -21.036 -33.322 1.00 54.50 C ATOM 1527 CD GLN A 118 7.732 -20.282 -34.532 1.00 63.12 C ATOM 1528 OE1 GLN A 118 6.526 -20.230 -34.780 1.00 23.14 O ATOM 1529 NE2 GLN A 118 8.645 -19.692 -35.295 1.00 62.32 N ATOM 0 H GLN A 118 8.269 -21.183 -30.360 1.00 60.15 H new ATOM 0 HA GLN A 118 9.027 -18.588 -31.001 1.00 55.15 H new ATOM 0 HB2 GLN A 118 9.719 -19.504 -33.065 1.00 72.03 H new ATOM 0 HB3 GLN A 118 9.854 -20.828 -31.924 1.00 72.03 H new ATOM 0 HG2 GLN A 118 8.802 -21.913 -33.654 1.00 54.50 H new ATOM 0 HG3 GLN A 118 7.401 -21.397 -32.737 1.00 54.50 H new ATOM 0 HE21 GLN A 118 9.633 -19.760 -35.053 1.00 62.32 H new ATOM 0 HE22 GLN A 118 8.358 -19.170 -36.123 1.00 62.32 H new ATOM 1538 N LYS A 119 6.058 -19.421 -32.125 1.00 33.44 N ATOM 1539 CA LYS A 119 4.836 -18.898 -32.724 1.00 62.34 C ATOM 1540 C LYS A 119 4.182 -17.865 -31.813 1.00 60.03 C ATOM 1541 O LYS A 119 3.419 -17.013 -32.271 1.00 64.20 O ATOM 1542 CB LYS A 119 3.856 -20.038 -33.009 1.00 74.03 C ATOM 1543 CG LYS A 119 3.465 -20.828 -31.772 1.00 43.23 C ATOM 1544 CD LYS A 119 2.253 -20.224 -31.084 1.00 33.32 C ATOM 1545 CE LYS A 119 0.990 -21.017 -31.382 1.00 24.34 C ATOM 1546 NZ LYS A 119 0.325 -20.552 -32.631 1.00 2.23 N ATOM 0 H LYS A 119 5.980 -20.376 -31.776 1.00 33.44 H new ATOM 0 HA LYS A 119 5.100 -18.411 -33.663 1.00 62.34 H new ATOM 0 HB2 LYS A 119 2.956 -19.627 -33.466 1.00 74.03 H new ATOM 0 HB3 LYS A 119 4.302 -20.716 -33.737 1.00 74.03 H new ATOM 0 HG2 LYS A 119 3.249 -21.859 -32.051 1.00 43.23 H new ATOM 0 HG3 LYS A 119 4.304 -20.855 -31.076 1.00 43.23 H new ATOM 0 HD2 LYS A 119 2.421 -20.196 -30.007 1.00 33.32 H new ATOM 0 HD3 LYS A 119 2.123 -19.193 -31.413 1.00 33.32 H new ATOM 0 HE2 LYS A 119 1.238 -22.074 -31.475 1.00 24.34 H new ATOM 0 HE3 LYS A 119 0.297 -20.925 -30.546 1.00 24.34 H new ATOM 0 HZ1 LYS A 119 -0.532 -21.117 -32.799 1.00 2.23 H new ATOM 0 HZ2 LYS A 119 0.065 -19.550 -32.533 1.00 2.23 H new ATOM 0 HZ3 LYS A 119 0.977 -20.664 -33.434 1.00 2.23 H new ATOM 1560 N LEU A 120 4.486 -17.945 -30.523 1.00 55.22 N ATOM 1561 CA LEU A 120 3.927 -17.015 -29.547 1.00 23.43 C ATOM 1562 C LEU A 120 4.711 -15.706 -29.531 1.00 23.32 C ATOM 1563 O LEU A 120 4.130 -14.621 -29.525 1.00 14.21 O ATOM 1564 CB LEU A 120 3.935 -17.643 -28.152 1.00 71.35 C ATOM 1565 CG LEU A 120 3.457 -16.747 -27.010 1.00 34.11 C ATOM 1566 CD1 LEU A 120 1.959 -16.902 -26.801 1.00 33.42 C ATOM 1567 CD2 LEU A 120 4.211 -17.068 -25.728 1.00 5.12 C ATOM 0 H LEU A 120 5.116 -18.643 -30.128 1.00 55.22 H new ATOM 0 HA LEU A 120 2.899 -16.799 -29.836 1.00 23.43 H new ATOM 0 HB2 LEU A 120 3.309 -18.535 -28.173 1.00 71.35 H new ATOM 0 HB3 LEU A 120 4.950 -17.971 -27.929 1.00 71.35 H new ATOM 0 HG LEU A 120 3.661 -15.710 -27.278 1.00 34.11 H new ATOM 0 HD11 LEU A 120 1.637 -16.256 -25.984 1.00 33.42 H new ATOM 0 HD12 LEU A 120 1.433 -16.622 -27.714 1.00 33.42 H new ATOM 0 HD13 LEU A 120 1.731 -17.939 -26.555 1.00 33.42 H new ATOM 0 HD21 LEU A 120 3.857 -16.420 -24.926 1.00 5.12 H new ATOM 0 HD22 LEU A 120 4.039 -18.109 -25.456 1.00 5.12 H new ATOM 0 HD23 LEU A 120 5.278 -16.905 -25.883 1.00 5.12 H new ATOM 1579 N LEU A 121 6.035 -15.816 -29.526 1.00 65.24 N ATOM 1580 CA LEU A 121 6.901 -14.641 -29.514 1.00 71.31 C ATOM 1581 C LEU A 121 6.854 -13.917 -30.856 1.00 30.04 C ATOM 1582 O LEU A 121 7.140 -12.723 -30.936 1.00 54.44 O ATOM 1583 CB LEU A 121 8.339 -15.048 -29.191 1.00 45.41 C ATOM 1584 CG LEU A 121 8.519 -15.993 -28.003 1.00 12.13 C ATOM 1585 CD1 LEU A 121 9.982 -16.066 -27.595 1.00 43.00 C ATOM 1586 CD2 LEU A 121 7.659 -15.545 -26.829 1.00 70.32 C ATOM 0 H LEU A 121 6.533 -16.706 -29.530 1.00 65.24 H new ATOM 0 HA LEU A 121 6.540 -13.961 -28.742 1.00 71.31 H new ATOM 0 HB2 LEU A 121 8.768 -15.521 -30.074 1.00 45.41 H new ATOM 0 HB3 LEU A 121 8.917 -14.144 -29.001 1.00 45.41 H new ATOM 0 HG LEU A 121 8.197 -16.989 -28.305 1.00 12.13 H new ATOM 0 HD11 LEU A 121 10.090 -16.743 -26.748 1.00 43.00 H new ATOM 0 HD12 LEU A 121 10.575 -16.434 -28.432 1.00 43.00 H new ATOM 0 HD13 LEU A 121 10.331 -15.073 -27.312 1.00 43.00 H new ATOM 0 HD21 LEU A 121 7.800 -16.229 -25.993 1.00 70.32 H new ATOM 0 HD22 LEU A 121 7.950 -14.539 -26.528 1.00 70.32 H new ATOM 0 HD23 LEU A 121 6.610 -15.546 -27.125 1.00 70.32 H new ATOM 1598 N GLN A 122 6.490 -14.647 -31.905 1.00 32.30 N ATOM 1599 CA GLN A 122 6.404 -14.073 -33.242 1.00 62.23 C ATOM 1600 C GLN A 122 5.357 -12.966 -33.293 1.00 30.20 C ATOM 1601 O GLN A 122 5.495 -12.002 -34.046 1.00 2.54 O ATOM 1602 CB GLN A 122 6.067 -15.159 -34.266 1.00 51.50 C ATOM 1603 CG GLN A 122 7.286 -15.735 -34.967 1.00 31.41 C ATOM 1604 CD GLN A 122 7.794 -14.843 -36.082 1.00 63.44 C ATOM 1605 OE1 GLN A 122 8.876 -14.263 -35.985 1.00 70.04 O ATOM 1606 NE2 GLN A 122 7.013 -14.729 -37.151 1.00 4.12 N ATOM 0 H GLN A 122 6.250 -15.637 -31.855 1.00 32.30 H new ATOM 0 HA GLN A 122 7.374 -13.641 -33.488 1.00 62.23 H new ATOM 0 HB2 GLN A 122 5.532 -15.966 -33.765 1.00 51.50 H new ATOM 0 HB3 GLN A 122 5.391 -14.744 -35.014 1.00 51.50 H new ATOM 0 HG2 GLN A 122 8.082 -15.887 -34.238 1.00 31.41 H new ATOM 0 HG3 GLN A 122 7.036 -16.714 -35.375 1.00 31.41 H new ATOM 0 HE21 GLN A 122 6.124 -15.228 -37.189 1.00 4.12 H new ATOM 0 HE22 GLN A 122 7.302 -14.143 -37.934 1.00 4.12 H new ATOM 1615 N ASP A 123 4.310 -13.112 -32.489 1.00 4.22 N ATOM 1616 CA ASP A 123 3.239 -12.122 -32.442 1.00 64.40 C ATOM 1617 C ASP A 123 2.161 -12.537 -31.444 1.00 41.54 C ATOM 1618 O ASP A 123 1.826 -11.783 -30.531 1.00 21.05 O ATOM 1619 CB ASP A 123 2.624 -11.940 -33.830 1.00 12.22 C ATOM 1620 CG ASP A 123 2.447 -10.480 -34.198 1.00 1.43 C ATOM 1621 OD1 ASP A 123 2.231 -9.659 -33.281 1.00 63.13 O ATOM 1622 OD2 ASP A 123 2.526 -10.157 -35.401 1.00 23.10 O ATOM 0 H ASP A 123 4.179 -13.905 -31.861 1.00 4.22 H new ATOM 0 HA ASP A 123 3.666 -11.174 -32.116 1.00 64.40 H new ATOM 0 HB2 ASP A 123 3.259 -12.424 -34.572 1.00 12.22 H new ATOM 0 HB3 ASP A 123 1.656 -12.440 -33.864 1.00 12.22 H new ATOM 1627 N ASP A 124 1.623 -13.737 -31.627 1.00 13.41 N ATOM 1628 CA ASP A 124 0.583 -14.251 -30.744 1.00 11.34 C ATOM 1629 C ASP A 124 -0.633 -13.330 -30.741 1.00 2.40 C ATOM 1630 O ASP A 124 -1.512 -13.445 -31.595 1.00 53.12 O ATOM 1631 CB ASP A 124 1.123 -14.406 -29.321 1.00 25.21 C ATOM 1632 CG ASP A 124 0.050 -14.825 -28.336 1.00 12.24 C ATOM 1633 OD1 ASP A 124 -0.362 -16.003 -28.372 1.00 41.01 O ATOM 1634 OD2 ASP A 124 -0.380 -13.973 -27.530 1.00 13.10 O ATOM 0 H ASP A 124 1.890 -14.372 -32.379 1.00 13.41 H new ATOM 0 HA ASP A 124 0.275 -15.228 -31.117 1.00 11.34 H new ATOM 0 HB2 ASP A 124 1.923 -15.146 -29.318 1.00 25.21 H new ATOM 0 HB3 ASP A 124 1.561 -13.462 -28.997 1.00 25.21 H new TER 1639 ASP A 124