USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1085 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 97 ASN : amide:sc= 0.444 K(o=1.8,f=-7.2!) USER MOD Set 1.2: A 127 LYS NZ :NH3+ 155:sc= 1.36 (180deg=0) USER MOD Set 2.1: A 67 CYS SG : rot -119:sc= 1.2 USER MOD Set 2.2: A 98 SER OG : rot 69:sc= 2.3 USER MOD Set 3.1: A 52 THR OG1 : rot -25:sc= 1.04 USER MOD Set 3.2: A 53 ASN : amide:sc= -1.62! K(o=-0.58!,f=2.1) USER MOD Set 4.1: A 22 ASN : amide:sc= -1.92 X(o=-11,f=-11!) USER MOD Set 4.2: A 37 TYR OH : rot -80:sc= -8.68! USER MOD Single : A 10 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.5!) USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= 1.17 (180deg=1.1) USER MOD Single : A 12 LYS NZ :NH3+ 173:sc=-0.000721 (180deg=-0.068) USER MOD Single : A 13 GLN : amide:sc= -3.91! K(o=-3.9!,f=-0.58) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -136:sc= 1.2 (180deg=0.452) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= -0.0748 (180deg=-0.397) USER MOD Single : A 32 THR OG1 : rot 78:sc= 1.35 USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= -0.0152 (180deg=-0.223) USER MOD Single : A 36 HIS : no HE2:sc= 0.587 K(o=0.59,f=-5.9!) USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.09) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 31:sc= 0.691 USER MOD Single : A 47 ASN : amide:sc= -16.5! C(o=-16!,f=-6.2!) USER MOD Single : A 48 MET CE :methyl 142:sc= -4.49! (180deg=-9.31!) USER MOD Single : A 49 THR OG1 : rot 110:sc= -0.227 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -3.77! C(o=-3.8!,f=-5.3!) USER MOD Single : A 58 TYR OH : rot 180:sc=-0.000137 USER MOD Single : A 61 LYS NZ :NH3+ 154:sc= -0.911 (180deg=-2.67!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0.925 K(o=0.93,f=-5.8!) USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= 1.26 (180deg=1.08) USER MOD Single : A 71 CYS SG : rot -4:sc= -11.9! USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= 1.27 (180deg=1.11) USER MOD Single : A 81 ASN : amide:sc= -0.73 K(o=-0.73,f=-1.5) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.42) USER MOD Single : A 90 LYS NZ :NH3+ 153:sc= -1.68 (180deg=-2.38!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.648 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 133:sc= 1.17 (180deg=0.938) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -165:sc= -0.0224 (180deg=-0.226) USER MOD Single : A 110 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-2.3!) USER MOD Single : A 112 TYR OH : rot -176:sc= -0.621 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 120:sc= -0.571 USER MOD Single : A 119 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-3.2) USER MOD Single : A 121 THR OG1 : rot -174:sc= -0.584 USER MOD Single : A 126 LYS NZ :NH3+ -150:sc= 1.1 (180deg=0.999) USER MOD Single : A 128 CYS SG : rot 180:sc= -4.09! USER MOD Single : A 129 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.3) USER MOD Single : A 130 GLN : amide:sc= -1.77 X(o=-1.8,f=-2.3) USER MOD Single : A 133 LYS NZ :NH3+ -161:sc= 0.623 (180deg=0.336) USER MOD Single : A 136 LYS NZ :NH3+ -163:sc= -0.0626 (180deg=-0.349) USER MOD Single : A 138 GLN : amide:sc= -0.0508 K(o=-0.051,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 25.126 -6.722 1.746 1.00 1.26 N ATOM 2 CA GLU A 9 24.266 -6.717 0.543 1.00 1.05 C ATOM 3 C GLU A 9 23.241 -5.596 0.638 1.00 0.90 C ATOM 4 O GLU A 9 22.835 -5.193 1.731 1.00 0.98 O ATOM 5 CB GLU A 9 23.550 -8.065 0.387 1.00 1.37 C ATOM 6 CG GLU A 9 22.679 -8.148 -0.856 1.00 2.20 C ATOM 7 CD GLU A 9 23.475 -8.056 -2.139 1.00 2.80 C ATOM 8 OE1 GLU A 9 23.876 -6.934 -2.511 1.00 3.20 O ATOM 9 OE2 GLU A 9 23.689 -9.098 -2.789 1.00 3.26 O ATOM 0 HA GLU A 9 24.896 -6.553 -0.331 1.00 1.05 H new ATOM 0 HB2 GLU A 9 24.294 -8.861 0.354 1.00 1.37 H new ATOM 0 HB3 GLU A 9 22.932 -8.243 1.267 1.00 1.37 H new ATOM 0 HG2 GLU A 9 22.126 -9.087 -0.844 1.00 2.20 H new ATOM 0 HG3 GLU A 9 21.943 -7.344 -0.832 1.00 2.20 H new ATOM 18 N ASN A 10 22.821 -5.105 -0.524 1.00 0.79 N ATOM 19 CA ASN A 10 21.858 -4.011 -0.614 1.00 0.66 C ATOM 20 C ASN A 10 20.523 -4.397 0.009 1.00 0.59 C ATOM 21 O ASN A 10 19.753 -3.533 0.392 1.00 0.53 O ATOM 22 CB ASN A 10 21.640 -3.582 -2.074 1.00 0.62 C ATOM 23 CG ASN A 10 22.884 -3.002 -2.727 1.00 1.14 C ATOM 24 OD1 ASN A 10 24.012 -3.365 -2.391 1.00 1.94 O ATOM 25 ND2 ASN A 10 22.687 -2.100 -3.675 1.00 1.45 N ATOM 0 H ASN A 10 23.138 -5.453 -1.429 1.00 0.79 H new ATOM 0 HA ASN A 10 22.275 -3.171 -0.058 1.00 0.66 H new ATOM 0 HB2 ASN A 10 21.304 -4.443 -2.651 1.00 0.62 H new ATOM 0 HB3 ASN A 10 20.841 -2.842 -2.112 1.00 0.62 H new ATOM 0 HD21 ASN A 10 23.484 -1.681 -4.154 1.00 1.45 H new ATOM 0 HD22 ASN A 10 21.738 -1.824 -3.927 1.00 1.45 H new ATOM 32 N LYS A 11 20.259 -5.696 0.105 1.00 0.63 N ATOM 33 CA LYS A 11 19.020 -6.191 0.701 1.00 0.62 C ATOM 34 C LYS A 11 18.887 -5.735 2.152 1.00 0.62 C ATOM 35 O LYS A 11 17.842 -5.227 2.559 1.00 0.58 O ATOM 36 CB LYS A 11 18.967 -7.717 0.629 1.00 0.71 C ATOM 37 CG LYS A 11 18.937 -8.262 -0.789 1.00 0.79 C ATOM 38 CD LYS A 11 18.902 -9.782 -0.801 1.00 1.12 C ATOM 39 CE LYS A 11 18.559 -10.327 -2.180 1.00 1.50 C ATOM 40 NZ LYS A 11 17.119 -10.149 -2.507 1.00 2.19 N ATOM 0 H LYS A 11 20.888 -6.429 -0.223 1.00 0.63 H new ATOM 0 HA LYS A 11 18.187 -5.777 0.133 1.00 0.62 H new ATOM 0 HB2 LYS A 11 19.834 -8.126 1.148 1.00 0.71 H new ATOM 0 HB3 LYS A 11 18.082 -8.066 1.162 1.00 0.71 H new ATOM 0 HG2 LYS A 11 18.063 -7.873 -1.311 1.00 0.79 H new ATOM 0 HG3 LYS A 11 19.815 -7.913 -1.333 1.00 0.79 H new ATOM 0 HD2 LYS A 11 19.871 -10.171 -0.487 1.00 1.12 H new ATOM 0 HD3 LYS A 11 18.167 -10.135 -0.077 1.00 1.12 H new ATOM 0 HE2 LYS A 11 19.166 -9.822 -2.931 1.00 1.50 H new ATOM 0 HE3 LYS A 11 18.813 -11.386 -2.225 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 16.884 -10.706 -3.353 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 16.539 -10.473 -1.707 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 16.926 -9.144 -2.690 1.00 2.19 H new ATOM 54 N LYS A 12 19.951 -5.909 2.926 1.00 0.70 N ATOM 55 CA LYS A 12 19.953 -5.496 4.323 1.00 0.74 C ATOM 56 C LYS A 12 19.888 -3.975 4.424 1.00 0.66 C ATOM 57 O LYS A 12 19.193 -3.424 5.277 1.00 0.63 O ATOM 58 CB LYS A 12 21.202 -6.028 5.032 1.00 0.90 C ATOM 59 CG LYS A 12 21.232 -5.759 6.532 1.00 1.54 C ATOM 60 CD LYS A 12 20.030 -6.367 7.249 1.00 2.02 C ATOM 61 CE LYS A 12 19.937 -7.875 7.044 1.00 2.38 C ATOM 62 NZ LYS A 12 21.140 -8.589 7.552 1.00 2.83 N ATOM 0 H LYS A 12 20.823 -6.333 2.610 1.00 0.70 H new ATOM 0 HA LYS A 12 19.073 -5.913 4.813 1.00 0.74 H new ATOM 0 HB2 LYS A 12 21.270 -7.103 4.866 1.00 0.90 H new ATOM 0 HB3 LYS A 12 22.084 -5.578 4.576 1.00 0.90 H new ATOM 0 HG2 LYS A 12 22.150 -6.167 6.955 1.00 1.54 H new ATOM 0 HG3 LYS A 12 21.251 -4.683 6.707 1.00 1.54 H new ATOM 0 HD2 LYS A 12 20.098 -6.151 8.315 1.00 2.02 H new ATOM 0 HD3 LYS A 12 19.117 -5.896 6.886 1.00 2.02 H new ATOM 0 HE2 LYS A 12 19.050 -8.255 7.552 1.00 2.38 H new ATOM 0 HE3 LYS A 12 19.812 -8.088 5.982 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 20.982 -9.616 7.500 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 21.965 -8.336 6.972 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 21.315 -8.315 8.540 1.00 2.83 H new ATOM 76 N GLN A 13 20.604 -3.304 3.531 1.00 0.64 N ATOM 77 CA GLN A 13 20.593 -1.849 3.479 1.00 0.59 C ATOM 78 C GLN A 13 19.215 -1.346 3.044 1.00 0.50 C ATOM 79 O GLN A 13 18.802 -0.252 3.409 1.00 0.49 O ATOM 80 CB GLN A 13 21.687 -1.348 2.527 1.00 0.62 C ATOM 81 CG GLN A 13 22.630 -0.318 3.141 1.00 0.90 C ATOM 82 CD GLN A 13 21.952 0.973 3.584 1.00 1.51 C ATOM 83 OE1 GLN A 13 22.337 1.574 4.589 1.00 2.07 O ATOM 84 NE2 GLN A 13 20.977 1.437 2.821 1.00 2.26 N ATOM 0 H GLN A 13 21.201 -3.746 2.832 1.00 0.64 H new ATOM 0 HA GLN A 13 20.799 -1.455 4.474 1.00 0.59 H new ATOM 0 HB2 GLN A 13 22.273 -2.201 2.185 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.215 -0.912 1.647 1.00 0.62 H new ATOM 0 HG2 GLN A 13 23.127 -0.766 4.001 1.00 0.90 H new ATOM 0 HG3 GLN A 13 23.406 -0.076 2.415 1.00 0.90 H new ATOM 0 HE21 GLN A 13 20.682 0.915 1.996 1.00 2.26 H new ATOM 0 HE22 GLN A 13 20.519 2.317 3.057 1.00 2.26 H new ATOM 93 N ALA A 14 18.503 -2.159 2.271 1.00 0.46 N ATOM 94 CA ALA A 14 17.157 -1.817 1.827 1.00 0.38 C ATOM 95 C ALA A 14 16.208 -1.728 3.012 1.00 0.39 C ATOM 96 O ALA A 14 15.296 -0.908 3.029 1.00 0.36 O ATOM 97 CB ALA A 14 16.649 -2.833 0.818 1.00 0.36 C ATOM 0 H ALA A 14 18.838 -3.063 1.938 1.00 0.46 H new ATOM 0 HA ALA A 14 17.198 -0.841 1.342 1.00 0.38 H new ATOM 0 HB1 ALA A 14 15.643 -2.559 0.500 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.311 -2.849 -0.047 1.00 0.36 H new ATOM 0 HB3 ALA A 14 16.627 -3.822 1.276 1.00 0.36 H new ATOM 103 N LEU A 15 16.430 -2.578 4.006 1.00 0.45 N ATOM 104 CA LEU A 15 15.664 -2.507 5.243 1.00 0.47 C ATOM 105 C LEU A 15 15.991 -1.217 5.980 1.00 0.49 C ATOM 106 O LEU A 15 15.115 -0.584 6.568 1.00 0.49 O ATOM 107 CB LEU A 15 15.961 -3.713 6.136 1.00 0.54 C ATOM 108 CG LEU A 15 15.328 -5.030 5.690 1.00 1.13 C ATOM 109 CD1 LEU A 15 15.868 -6.183 6.521 1.00 1.98 C ATOM 110 CD2 LEU A 15 13.813 -4.955 5.810 1.00 1.31 C ATOM 0 H LEU A 15 17.129 -3.320 3.981 1.00 0.45 H new ATOM 0 HA LEU A 15 14.603 -2.519 4.994 1.00 0.47 H new ATOM 0 HB2 LEU A 15 17.041 -3.848 6.188 1.00 0.54 H new ATOM 0 HB3 LEU A 15 15.619 -3.489 7.146 1.00 0.54 H new ATOM 0 HG LEU A 15 15.586 -5.204 4.645 1.00 1.13 H new ATOM 0 HD11 LEU A 15 15.408 -7.115 6.192 1.00 1.98 H new ATOM 0 HD12 LEU A 15 16.949 -6.247 6.395 1.00 1.98 H new ATOM 0 HD13 LEU A 15 15.635 -6.014 7.572 1.00 1.98 H new ATOM 0 HD21 LEU A 15 13.375 -5.900 5.489 1.00 1.31 H new ATOM 0 HD22 LEU A 15 13.539 -4.762 6.847 1.00 1.31 H new ATOM 0 HD23 LEU A 15 13.438 -4.149 5.180 1.00 1.31 H new ATOM 122 N LYS A 16 17.259 -0.830 5.931 1.00 0.51 N ATOM 123 CA LYS A 16 17.701 0.421 6.525 1.00 0.54 C ATOM 124 C LYS A 16 17.041 1.598 5.810 1.00 0.48 C ATOM 125 O LYS A 16 16.519 2.511 6.447 1.00 0.49 O ATOM 126 CB LYS A 16 19.228 0.531 6.443 1.00 0.62 C ATOM 127 CG LYS A 16 19.805 1.747 7.150 1.00 0.79 C ATOM 128 CD LYS A 16 19.568 1.686 8.650 1.00 1.64 C ATOM 129 CE LYS A 16 20.246 2.842 9.361 1.00 1.89 C ATOM 130 NZ LYS A 16 20.022 2.802 10.830 1.00 2.88 N ATOM 0 H LYS A 16 18.001 -1.368 5.484 1.00 0.51 H new ATOM 0 HA LYS A 16 17.408 0.441 7.575 1.00 0.54 H new ATOM 0 HB2 LYS A 16 19.669 -0.368 6.873 1.00 0.62 H new ATOM 0 HB3 LYS A 16 19.523 0.561 5.394 1.00 0.62 H new ATOM 0 HG2 LYS A 16 20.875 1.810 6.952 1.00 0.79 H new ATOM 0 HG3 LYS A 16 19.352 2.653 6.746 1.00 0.79 H new ATOM 0 HD2 LYS A 16 18.497 1.709 8.853 1.00 1.64 H new ATOM 0 HD3 LYS A 16 19.947 0.742 9.042 1.00 1.64 H new ATOM 0 HE2 LYS A 16 21.316 2.815 9.157 1.00 1.89 H new ATOM 0 HE3 LYS A 16 19.869 3.784 8.962 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 20.502 3.609 11.276 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 19.002 2.854 11.027 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 20.405 1.915 11.216 1.00 2.88 H new ATOM 144 N GLU A 17 17.051 1.549 4.482 1.00 0.42 N ATOM 145 CA GLU A 17 16.418 2.575 3.665 1.00 0.38 C ATOM 146 C GLU A 17 14.910 2.613 3.903 1.00 0.35 C ATOM 147 O GLU A 17 14.322 3.687 3.989 1.00 0.34 O ATOM 148 CB GLU A 17 16.726 2.353 2.178 1.00 0.35 C ATOM 149 CG GLU A 17 18.146 2.714 1.789 1.00 0.39 C ATOM 150 CD GLU A 17 18.592 4.043 2.368 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.034 5.093 1.976 1.00 0.39 O ATOM 152 OE2 GLU A 17 19.500 4.046 3.224 1.00 0.54 O ATOM 0 H GLU A 17 17.495 0.803 3.946 1.00 0.42 H new ATOM 0 HA GLU A 17 16.830 3.540 3.960 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.546 1.307 1.931 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.033 2.945 1.580 1.00 0.35 H new ATOM 0 HG2 GLU A 17 18.822 1.929 2.129 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.222 2.752 0.702 1.00 0.39 H new ATOM 159 N LYS A 18 14.286 1.446 4.030 1.00 0.34 N ATOM 160 CA LYS A 18 12.855 1.391 4.305 1.00 0.34 C ATOM 161 C LYS A 18 12.545 2.042 5.650 1.00 0.40 C ATOM 162 O LYS A 18 11.579 2.787 5.777 1.00 0.41 O ATOM 163 CB LYS A 18 12.331 -0.047 4.290 1.00 0.34 C ATOM 164 CG LYS A 18 10.835 -0.133 4.563 1.00 0.33 C ATOM 165 CD LYS A 18 10.407 -1.531 4.984 1.00 0.36 C ATOM 166 CE LYS A 18 10.940 -1.900 6.359 1.00 0.50 C ATOM 167 NZ LYS A 18 10.263 -1.129 7.436 1.00 0.80 N ATOM 0 H LYS A 18 14.742 0.537 3.948 1.00 0.34 H new ATOM 0 HA LYS A 18 12.349 1.942 3.512 1.00 0.34 H new ATOM 0 HB2 LYS A 18 12.545 -0.497 3.321 1.00 0.34 H new ATOM 0 HB3 LYS A 18 12.866 -0.632 5.038 1.00 0.34 H new ATOM 0 HG2 LYS A 18 10.569 0.578 5.345 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.287 0.159 3.667 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.319 -1.591 4.989 1.00 0.36 H new ATOM 0 HD3 LYS A 18 10.763 -2.255 4.251 1.00 0.36 H new ATOM 0 HE2 LYS A 18 10.797 -2.967 6.530 1.00 0.50 H new ATOM 0 HE3 LYS A 18 12.013 -1.712 6.396 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 10.971 -0.791 8.118 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 9.766 -0.315 7.021 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 9.578 -1.741 7.923 1.00 0.80 H new ATOM 181 N GLU A 19 13.372 1.764 6.649 1.00 0.46 N ATOM 182 CA GLU A 19 13.204 2.361 7.969 1.00 0.52 C ATOM 183 C GLU A 19 13.447 3.863 7.923 1.00 0.50 C ATOM 184 O GLU A 19 12.693 4.633 8.506 1.00 0.53 O ATOM 185 CB GLU A 19 14.146 1.707 8.979 1.00 0.58 C ATOM 186 CG GLU A 19 13.712 0.313 9.402 1.00 0.63 C ATOM 187 CD GLU A 19 12.393 0.318 10.147 1.00 1.32 C ATOM 188 OE1 GLU A 19 12.302 0.973 11.205 1.00 1.29 O ATOM 189 OE2 GLU A 19 11.433 -0.325 9.670 1.00 2.32 O ATOM 0 H GLU A 19 14.166 1.129 6.571 1.00 0.46 H new ATOM 0 HA GLU A 19 12.175 2.189 8.286 1.00 0.52 H new ATOM 0 HB2 GLU A 19 15.146 1.652 8.548 1.00 0.58 H new ATOM 0 HB3 GLU A 19 14.214 2.341 9.863 1.00 0.58 H new ATOM 0 HG2 GLU A 19 13.625 -0.321 8.519 1.00 0.63 H new ATOM 0 HG3 GLU A 19 14.482 -0.127 10.036 1.00 0.63 H new ATOM 196 N LEU A 20 14.493 4.272 7.219 1.00 0.47 N ATOM 197 CA LEU A 20 14.801 5.687 7.054 1.00 0.46 C ATOM 198 C LEU A 20 13.667 6.403 6.327 1.00 0.43 C ATOM 199 O LEU A 20 13.310 7.535 6.665 1.00 0.45 O ATOM 200 CB LEU A 20 16.113 5.849 6.281 1.00 0.45 C ATOM 201 CG LEU A 20 17.348 6.168 7.126 1.00 0.53 C ATOM 202 CD1 LEU A 20 17.203 7.529 7.781 1.00 0.58 C ATOM 203 CD2 LEU A 20 17.577 5.092 8.174 1.00 0.60 C ATOM 0 H LEU A 20 15.145 3.642 6.751 1.00 0.47 H new ATOM 0 HA LEU A 20 14.912 6.137 8.041 1.00 0.46 H new ATOM 0 HB2 LEU A 20 16.302 4.930 5.727 1.00 0.45 H new ATOM 0 HB3 LEU A 20 15.984 6.643 5.546 1.00 0.45 H new ATOM 0 HG LEU A 20 18.217 6.191 6.468 1.00 0.53 H new ATOM 0 HD11 LEU A 20 18.089 7.741 8.379 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.092 8.293 7.012 1.00 0.58 H new ATOM 0 HD13 LEU A 20 16.323 7.531 8.424 1.00 0.58 H new ATOM 0 HD21 LEU A 20 18.460 5.340 8.763 1.00 0.60 H new ATOM 0 HD22 LEU A 20 16.709 5.032 8.830 1.00 0.60 H new ATOM 0 HD23 LEU A 20 17.727 4.131 7.682 1.00 0.60 H new ATOM 215 N GLY A 21 13.116 5.734 5.323 1.00 0.39 N ATOM 216 CA GLY A 21 11.955 6.244 4.621 1.00 0.37 C ATOM 217 C GLY A 21 10.751 6.321 5.526 1.00 0.40 C ATOM 218 O GLY A 21 10.096 7.353 5.613 1.00 0.41 O ATOM 0 H GLY A 21 13.458 4.837 4.979 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.176 7.234 4.222 1.00 0.37 H new ATOM 0 HA3 GLY A 21 11.731 5.600 3.770 1.00 0.37 H new ATOM 222 N ASN A 22 10.488 5.231 6.225 1.00 0.43 N ATOM 223 CA ASN A 22 9.334 5.131 7.107 1.00 0.47 C ATOM 224 C ASN A 22 9.428 6.150 8.234 1.00 0.53 C ATOM 225 O ASN A 22 8.428 6.715 8.669 1.00 0.56 O ATOM 226 CB ASN A 22 9.251 3.717 7.688 1.00 0.52 C ATOM 227 CG ASN A 22 7.990 3.469 8.495 1.00 0.59 C ATOM 228 OD1 ASN A 22 8.021 2.757 9.499 1.00 1.27 O ATOM 229 ND2 ASN A 22 6.871 4.012 8.045 1.00 1.23 N ATOM 0 H ASN A 22 11.066 4.391 6.199 1.00 0.43 H new ATOM 0 HA ASN A 22 8.434 5.340 6.529 1.00 0.47 H new ATOM 0 HB2 ASN A 22 9.300 2.994 6.874 1.00 0.52 H new ATOM 0 HB3 ASN A 22 10.120 3.542 8.323 1.00 0.52 H new ATOM 0 HD21 ASN A 22 5.991 3.847 8.534 1.00 1.23 H new ATOM 0 HD22 ASN A 22 6.888 4.596 7.209 1.00 1.23 H new ATOM 236 N ASP A 23 10.646 6.378 8.692 1.00 0.54 N ATOM 237 CA ASP A 23 10.917 7.331 9.758 1.00 0.59 C ATOM 238 C ASP A 23 10.547 8.746 9.322 1.00 0.58 C ATOM 239 O ASP A 23 9.902 9.489 10.065 1.00 0.62 O ATOM 240 CB ASP A 23 12.399 7.267 10.123 1.00 0.61 C ATOM 241 CG ASP A 23 12.717 8.011 11.400 1.00 0.74 C ATOM 242 OD1 ASP A 23 12.537 7.429 12.490 1.00 0.93 O ATOM 243 OD2 ASP A 23 13.165 9.176 11.323 1.00 0.79 O ATOM 0 H ASP A 23 11.478 5.908 8.336 1.00 0.54 H new ATOM 0 HA ASP A 23 10.313 7.074 10.628 1.00 0.59 H new ATOM 0 HB2 ASP A 23 12.698 6.224 10.231 1.00 0.61 H new ATOM 0 HB3 ASP A 23 12.989 7.685 9.307 1.00 0.61 H new ATOM 248 N ALA A 24 10.951 9.103 8.108 1.00 0.53 N ATOM 249 CA ALA A 24 10.624 10.403 7.529 1.00 0.53 C ATOM 250 C ALA A 24 9.140 10.470 7.194 1.00 0.53 C ATOM 251 O ALA A 24 8.510 11.525 7.281 1.00 0.58 O ATOM 252 CB ALA A 24 11.466 10.637 6.286 1.00 0.49 C ATOM 0 H ALA A 24 11.511 8.505 7.500 1.00 0.53 H new ATOM 0 HA ALA A 24 10.846 11.186 8.254 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.219 11.608 5.857 1.00 0.49 H new ATOM 0 HB2 ALA A 24 12.523 10.616 6.553 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.261 9.855 5.555 1.00 0.49 H new ATOM 258 N TYR A 25 8.598 9.320 6.819 1.00 0.48 N ATOM 259 CA TYR A 25 7.175 9.162 6.553 1.00 0.49 C ATOM 260 C TYR A 25 6.362 9.531 7.791 1.00 0.59 C ATOM 261 O TYR A 25 5.306 10.159 7.700 1.00 0.63 O ATOM 262 CB TYR A 25 6.911 7.709 6.148 1.00 0.46 C ATOM 263 CG TYR A 25 5.489 7.404 5.757 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.023 7.673 4.478 1.00 0.40 C ATOM 265 CD2 TYR A 25 4.609 6.864 6.681 1.00 0.64 C ATOM 266 CE1 TYR A 25 3.714 7.405 4.131 1.00 0.45 C ATOM 267 CE2 TYR A 25 3.301 6.593 6.347 1.00 0.68 C ATOM 268 CZ TYR A 25 2.883 6.818 5.008 1.00 0.54 C ATOM 269 OH TYR A 25 1.552 6.598 4.722 1.00 0.63 O ATOM 0 H TYR A 25 9.137 8.464 6.690 1.00 0.48 H new ATOM 0 HA TYR A 25 6.873 9.826 5.743 1.00 0.49 H new ATOM 0 HB2 TYR A 25 7.564 7.457 5.312 1.00 0.46 H new ATOM 0 HB3 TYR A 25 7.191 7.060 6.978 1.00 0.46 H new ATOM 0 HD1 TYR A 25 5.693 8.097 3.745 1.00 0.40 H new ATOM 0 HD2 TYR A 25 4.955 6.652 7.682 1.00 0.64 H new ATOM 0 HE1 TYR A 25 3.355 7.669 3.147 1.00 0.45 H new ATOM 0 HE2 TYR A 25 2.609 6.218 7.086 1.00 0.68 H new ATOM 0 HH TYR A 25 1.121 6.161 5.486 1.00 0.63 H new ATOM 279 N LYS A 26 6.889 9.151 8.947 1.00 0.65 N ATOM 280 CA LYS A 26 6.252 9.428 10.227 1.00 0.77 C ATOM 281 C LYS A 26 6.401 10.895 10.613 1.00 0.81 C ATOM 282 O LYS A 26 5.729 11.380 11.523 1.00 0.94 O ATOM 283 CB LYS A 26 6.870 8.545 11.310 1.00 0.82 C ATOM 284 CG LYS A 26 6.612 7.068 11.103 1.00 0.86 C ATOM 285 CD LYS A 26 7.405 6.230 12.084 1.00 1.03 C ATOM 286 CE LYS A 26 7.248 4.751 11.793 1.00 0.90 C ATOM 287 NZ LYS A 26 8.065 3.912 12.708 1.00 1.62 N ATOM 0 H LYS A 26 7.770 8.642 9.024 1.00 0.65 H new ATOM 0 HA LYS A 26 5.189 9.208 10.133 1.00 0.77 H new ATOM 0 HB2 LYS A 26 7.946 8.718 11.339 1.00 0.82 H new ATOM 0 HB3 LYS A 26 6.474 8.843 12.281 1.00 0.82 H new ATOM 0 HG2 LYS A 26 5.548 6.862 11.222 1.00 0.86 H new ATOM 0 HG3 LYS A 26 6.879 6.789 10.084 1.00 0.86 H new ATOM 0 HD2 LYS A 26 8.459 6.504 12.032 1.00 1.03 H new ATOM 0 HD3 LYS A 26 7.071 6.441 13.100 1.00 1.03 H new ATOM 0 HE2 LYS A 26 6.198 4.473 11.887 1.00 0.90 H new ATOM 0 HE3 LYS A 26 7.539 4.552 10.762 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 7.928 2.908 12.474 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 9.070 4.158 12.601 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 7.770 4.082 13.691 1.00 1.62 H new ATOM 301 N LYS A 27 7.283 11.598 9.919 1.00 0.75 N ATOM 302 CA LYS A 27 7.533 13.004 10.199 1.00 0.80 C ATOM 303 C LYS A 27 6.900 13.887 9.132 1.00 0.79 C ATOM 304 O LYS A 27 7.180 15.083 9.063 1.00 0.84 O ATOM 305 CB LYS A 27 9.038 13.274 10.269 1.00 0.80 C ATOM 306 CG LYS A 27 9.747 12.495 11.362 1.00 1.16 C ATOM 307 CD LYS A 27 11.257 12.655 11.282 1.00 1.58 C ATOM 308 CE LYS A 27 11.694 14.088 11.545 1.00 1.93 C ATOM 309 NZ LYS A 27 13.169 14.243 11.441 1.00 2.31 N ATOM 0 H LYS A 27 7.840 11.216 9.155 1.00 0.75 H new ATOM 0 HA LYS A 27 7.083 13.243 11.163 1.00 0.80 H new ATOM 0 HB2 LYS A 27 9.488 13.026 9.308 1.00 0.80 H new ATOM 0 HB3 LYS A 27 9.200 14.340 10.431 1.00 0.80 H new ATOM 0 HG2 LYS A 27 9.397 12.835 12.336 1.00 1.16 H new ATOM 0 HG3 LYS A 27 9.489 11.439 11.282 1.00 1.16 H new ATOM 0 HD2 LYS A 27 11.730 11.993 12.007 1.00 1.58 H new ATOM 0 HD3 LYS A 27 11.602 12.346 10.295 1.00 1.58 H new ATOM 0 HE2 LYS A 27 11.207 14.753 10.832 1.00 1.93 H new ATOM 0 HE3 LYS A 27 11.366 14.392 12.539 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 13.428 15.233 11.627 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 13.633 13.627 12.139 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 13.479 13.978 10.485 1.00 2.31 H new ATOM 323 N LYS A 28 6.052 13.282 8.296 1.00 0.77 N ATOM 324 CA LYS A 28 5.375 13.994 7.207 1.00 0.80 C ATOM 325 C LYS A 28 6.376 14.586 6.226 1.00 0.71 C ATOM 326 O LYS A 28 6.071 15.532 5.494 1.00 0.75 O ATOM 327 CB LYS A 28 4.450 15.064 7.775 1.00 0.96 C ATOM 328 CG LYS A 28 3.349 14.471 8.632 1.00 1.07 C ATOM 329 CD LYS A 28 2.625 15.521 9.449 1.00 1.24 C ATOM 330 CE LYS A 28 1.533 14.894 10.303 1.00 1.77 C ATOM 331 NZ LYS A 28 2.067 13.834 11.204 1.00 2.39 N ATOM 0 H LYS A 28 5.816 12.291 8.353 1.00 0.77 H new ATOM 0 HA LYS A 28 4.769 13.278 6.651 1.00 0.80 H new ATOM 0 HB2 LYS A 28 5.033 15.767 8.370 1.00 0.96 H new ATOM 0 HB3 LYS A 28 4.006 15.630 6.956 1.00 0.96 H new ATOM 0 HG2 LYS A 28 2.633 13.954 7.993 1.00 1.07 H new ATOM 0 HG3 LYS A 28 3.776 13.724 9.301 1.00 1.07 H new ATOM 0 HD2 LYS A 28 3.337 16.043 10.089 1.00 1.24 H new ATOM 0 HD3 LYS A 28 2.188 16.266 8.784 1.00 1.24 H new ATOM 0 HE2 LYS A 28 1.051 15.668 10.900 1.00 1.77 H new ATOM 0 HE3 LYS A 28 0.767 14.467 9.656 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 1.369 13.625 11.946 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 2.255 12.972 10.653 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 2.950 14.164 11.643 1.00 2.39 H new ATOM 345 N ASP A 29 7.567 14.008 6.208 1.00 0.64 N ATOM 346 CA ASP A 29 8.568 14.344 5.214 1.00 0.59 C ATOM 347 C ASP A 29 8.450 13.333 4.090 1.00 0.50 C ATOM 348 O ASP A 29 9.358 12.539 3.845 1.00 0.47 O ATOM 349 CB ASP A 29 9.972 14.304 5.814 1.00 0.60 C ATOM 350 CG ASP A 29 10.938 15.205 5.071 1.00 0.93 C ATOM 351 OD1 ASP A 29 10.847 15.294 3.828 1.00 1.62 O ATOM 352 OD2 ASP A 29 11.792 15.839 5.727 1.00 1.39 O ATOM 0 H ASP A 29 7.863 13.298 6.878 1.00 0.64 H new ATOM 0 HA ASP A 29 8.403 15.356 4.845 1.00 0.59 H new ATOM 0 HB2 ASP A 29 9.927 14.607 6.860 1.00 0.60 H new ATOM 0 HB3 ASP A 29 10.345 13.280 5.794 1.00 0.60 H new ATOM 357 N PHE A 30 7.304 13.360 3.423 1.00 0.49 N ATOM 358 CA PHE A 30 6.917 12.297 2.511 1.00 0.44 C ATOM 359 C PHE A 30 7.849 12.193 1.308 1.00 0.42 C ATOM 360 O PHE A 30 8.037 11.109 0.768 1.00 0.43 O ATOM 361 CB PHE A 30 5.457 12.475 2.085 1.00 0.45 C ATOM 362 CG PHE A 30 4.497 12.288 3.230 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.209 11.027 3.728 1.00 0.52 C ATOM 364 CD2 PHE A 30 3.871 13.381 3.800 1.00 0.64 C ATOM 365 CE1 PHE A 30 3.318 10.864 4.770 1.00 0.58 C ATOM 366 CE2 PHE A 30 2.977 13.223 4.842 1.00 0.71 C ATOM 367 CZ PHE A 30 2.750 11.924 5.362 1.00 0.66 C ATOM 0 H PHE A 30 6.622 14.115 3.499 1.00 0.49 H new ATOM 0 HA PHE A 30 7.009 11.351 3.044 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.324 13.471 1.662 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.222 11.760 1.297 1.00 0.45 H new ATOM 0 HD1 PHE A 30 4.688 10.161 3.295 1.00 0.52 H new ATOM 0 HD2 PHE A 30 4.083 14.372 3.426 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.075 9.869 5.113 1.00 0.58 H new ATOM 0 HE2 PHE A 30 2.459 14.076 5.254 1.00 0.71 H new ATOM 0 HZ PHE A 30 2.123 11.789 6.231 1.00 0.66 H new ATOM 377 N ASP A 31 8.459 13.297 0.906 1.00 0.46 N ATOM 378 CA ASP A 31 9.430 13.256 -0.185 1.00 0.48 C ATOM 379 C ASP A 31 10.677 12.509 0.248 1.00 0.44 C ATOM 380 O ASP A 31 11.212 11.692 -0.495 1.00 0.42 O ATOM 381 CB ASP A 31 9.811 14.659 -0.654 1.00 0.57 C ATOM 382 CG ASP A 31 8.681 15.346 -1.381 1.00 1.30 C ATOM 383 OD1 ASP A 31 7.872 16.028 -0.721 1.00 1.61 O ATOM 384 OD2 ASP A 31 8.594 15.201 -2.617 1.00 1.93 O ATOM 0 H ASP A 31 8.305 14.221 1.309 1.00 0.46 H new ATOM 0 HA ASP A 31 8.962 12.734 -1.019 1.00 0.48 H new ATOM 0 HB2 ASP A 31 10.105 15.260 0.206 1.00 0.57 H new ATOM 0 HB3 ASP A 31 10.678 14.597 -1.311 1.00 0.57 H new ATOM 389 N THR A 32 11.127 12.787 1.461 1.00 0.45 N ATOM 390 CA THR A 32 12.278 12.106 2.033 1.00 0.45 C ATOM 391 C THR A 32 11.934 10.646 2.335 1.00 0.39 C ATOM 392 O THR A 32 12.772 9.752 2.190 1.00 0.38 O ATOM 393 CB THR A 32 12.735 12.824 3.315 1.00 0.50 C ATOM 394 OG1 THR A 32 13.035 14.193 3.014 1.00 0.57 O ATOM 395 CG2 THR A 32 13.954 12.162 3.932 1.00 0.52 C ATOM 0 H THR A 32 10.708 13.487 2.074 1.00 0.45 H new ATOM 0 HA THR A 32 13.094 12.128 1.310 1.00 0.45 H new ATOM 0 HB THR A 32 11.922 12.764 4.039 1.00 0.50 H new ATOM 0 HG1 THR A 32 12.201 14.700 2.932 1.00 0.57 H new ATOM 0 HG21 THR A 32 14.243 12.701 4.835 1.00 0.52 H new ATOM 0 HG22 THR A 32 13.717 11.129 4.186 1.00 0.52 H new ATOM 0 HG23 THR A 32 14.778 12.181 3.219 1.00 0.52 H new ATOM 403 N ALA A 33 10.692 10.416 2.745 1.00 0.38 N ATOM 404 CA ALA A 33 10.190 9.068 2.962 1.00 0.36 C ATOM 405 C ALA A 33 10.229 8.280 1.665 1.00 0.30 C ATOM 406 O ALA A 33 10.870 7.233 1.577 1.00 0.28 O ATOM 407 CB ALA A 33 8.771 9.115 3.496 1.00 0.39 C ATOM 0 H ALA A 33 10.012 11.152 2.934 1.00 0.38 H new ATOM 0 HA ALA A 33 10.826 8.574 3.696 1.00 0.36 H new ATOM 0 HB1 ALA A 33 8.408 8.099 3.654 1.00 0.39 H new ATOM 0 HB2 ALA A 33 8.756 9.657 4.442 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.128 9.623 2.777 1.00 0.39 H new ATOM 413 N LEU A 34 9.559 8.821 0.656 1.00 0.29 N ATOM 414 CA LEU A 34 9.493 8.210 -0.664 1.00 0.26 C ATOM 415 C LEU A 34 10.900 8.081 -1.249 1.00 0.26 C ATOM 416 O LEU A 34 11.176 7.188 -2.046 1.00 0.26 O ATOM 417 CB LEU A 34 8.606 9.080 -1.574 1.00 0.28 C ATOM 418 CG LEU A 34 7.850 8.375 -2.708 1.00 0.33 C ATOM 419 CD1 LEU A 34 8.059 9.096 -4.022 1.00 0.81 C ATOM 420 CD2 LEU A 34 8.241 6.920 -2.826 1.00 0.53 C ATOM 0 H LEU A 34 9.045 9.699 0.731 1.00 0.29 H new ATOM 0 HA LEU A 34 9.061 7.212 -0.590 1.00 0.26 H new ATOM 0 HB2 LEU A 34 7.874 9.587 -0.945 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.234 9.852 -2.018 1.00 0.28 H new ATOM 0 HG LEU A 34 6.789 8.407 -2.461 1.00 0.33 H new ATOM 0 HD11 LEU A 34 7.514 8.579 -4.812 1.00 0.81 H new ATOM 0 HD12 LEU A 34 7.692 10.119 -3.938 1.00 0.81 H new ATOM 0 HD13 LEU A 34 9.122 9.110 -4.264 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.683 6.458 -3.640 1.00 0.53 H new ATOM 0 HD22 LEU A 34 9.309 6.846 -3.030 1.00 0.53 H new ATOM 0 HD23 LEU A 34 8.013 6.405 -1.893 1.00 0.53 H new ATOM 432 N LYS A 35 11.785 8.975 -0.834 1.00 0.31 N ATOM 433 CA LYS A 35 13.165 8.965 -1.290 1.00 0.33 C ATOM 434 C LYS A 35 13.874 7.696 -0.825 1.00 0.29 C ATOM 435 O LYS A 35 14.459 6.978 -1.632 1.00 0.30 O ATOM 436 CB LYS A 35 13.895 10.198 -0.759 1.00 0.40 C ATOM 437 CG LYS A 35 14.926 10.770 -1.715 1.00 0.49 C ATOM 438 CD LYS A 35 14.277 11.390 -2.949 1.00 0.53 C ATOM 439 CE LYS A 35 13.459 12.631 -2.604 1.00 0.60 C ATOM 440 NZ LYS A 35 14.299 13.714 -2.027 1.00 1.41 N ATOM 0 H LYS A 35 11.568 9.723 -0.176 1.00 0.31 H new ATOM 0 HA LYS A 35 13.173 8.985 -2.380 1.00 0.33 H new ATOM 0 HB2 LYS A 35 13.161 10.970 -0.529 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.389 9.939 0.178 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.520 11.525 -1.199 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.612 9.981 -2.023 1.00 0.49 H new ATOM 0 HD2 LYS A 35 15.050 11.655 -3.670 1.00 0.53 H new ATOM 0 HD3 LYS A 35 13.633 10.653 -3.428 1.00 0.53 H new ATOM 0 HE2 LYS A 35 12.962 12.998 -3.502 1.00 0.60 H new ATOM 0 HE3 LYS A 35 12.677 12.363 -1.894 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 13.758 14.602 -2.012 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 14.574 13.460 -1.057 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 15.153 13.838 -2.608 1.00 1.41 H new ATOM 454 N HIS A 36 13.807 7.411 0.475 1.00 0.29 N ATOM 455 CA HIS A 36 14.461 6.220 1.017 1.00 0.29 C ATOM 456 C HIS A 36 13.679 4.971 0.670 1.00 0.25 C ATOM 457 O HIS A 36 14.253 3.900 0.539 1.00 0.27 O ATOM 458 CB HIS A 36 14.613 6.274 2.532 1.00 0.38 C ATOM 459 CG HIS A 36 15.515 7.342 3.038 1.00 0.38 C ATOM 460 ND1 HIS A 36 16.889 7.235 3.033 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.231 8.533 3.598 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.412 8.319 3.572 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.426 9.124 3.924 1.00 0.46 N ATOM 0 H HIS A 36 13.314 7.979 1.164 1.00 0.29 H new ATOM 0 HA HIS A 36 15.452 6.192 0.564 1.00 0.29 H new ATOM 0 HB2 HIS A 36 13.627 6.412 2.976 1.00 0.38 H new ATOM 0 HB3 HIS A 36 14.986 5.310 2.879 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.418 6.442 2.670 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.246 8.946 3.760 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.466 8.515 3.703 1.00 0.47 H new ATOM 472 N TYR A 37 12.368 5.104 0.557 1.00 0.22 N ATOM 473 CA TYR A 37 11.530 3.989 0.147 1.00 0.21 C ATOM 474 C TYR A 37 11.919 3.525 -1.250 1.00 0.21 C ATOM 475 O TYR A 37 12.143 2.338 -1.484 1.00 0.24 O ATOM 476 CB TYR A 37 10.059 4.390 0.163 1.00 0.22 C ATOM 477 CG TYR A 37 9.396 4.401 1.527 1.00 0.23 C ATOM 478 CD1 TYR A 37 9.770 3.427 2.447 1.00 0.33 C ATOM 479 CD2 TYR A 37 8.498 5.378 1.937 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.266 3.431 3.733 1.00 0.40 C ATOM 481 CE2 TYR A 37 7.987 5.385 3.220 1.00 0.41 C ATOM 482 CZ TYR A 37 8.375 4.411 4.113 1.00 0.36 C ATOM 483 OH TYR A 37 7.861 4.413 5.388 1.00 0.48 O ATOM 0 H TYR A 37 11.862 5.970 0.743 1.00 0.22 H new ATOM 0 HA TYR A 37 11.680 3.171 0.852 1.00 0.21 H new ATOM 0 HB2 TYR A 37 9.968 5.385 -0.273 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.508 3.707 -0.483 1.00 0.22 H new ATOM 0 HD1 TYR A 37 10.465 2.655 2.151 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.194 6.145 1.241 1.00 0.37 H new ATOM 0 HE1 TYR A 37 9.569 2.670 4.437 1.00 0.40 H new ATOM 0 HE2 TYR A 37 7.287 6.150 3.521 1.00 0.41 H new ATOM 0 HH TYR A 37 7.131 3.762 5.448 1.00 0.48 H new ATOM 493 N ASP A 38 12.007 4.478 -2.169 1.00 0.25 N ATOM 494 CA ASP A 38 12.439 4.202 -3.534 1.00 0.31 C ATOM 495 C ASP A 38 13.871 3.700 -3.540 1.00 0.30 C ATOM 496 O ASP A 38 14.232 2.807 -4.308 1.00 0.32 O ATOM 497 CB ASP A 38 12.327 5.464 -4.377 1.00 0.42 C ATOM 498 CG ASP A 38 12.937 5.311 -5.757 1.00 0.78 C ATOM 499 OD1 ASP A 38 12.312 4.652 -6.616 1.00 0.68 O ATOM 500 OD2 ASP A 38 14.050 5.830 -5.986 1.00 1.51 O ATOM 0 H ASP A 38 11.783 5.457 -1.992 1.00 0.25 H new ATOM 0 HA ASP A 38 11.796 3.431 -3.958 1.00 0.31 H new ATOM 0 HB2 ASP A 38 11.276 5.734 -4.478 1.00 0.42 H new ATOM 0 HB3 ASP A 38 12.819 6.286 -3.857 1.00 0.42 H new ATOM 505 N LYS A 39 14.679 4.293 -2.676 1.00 0.30 N ATOM 506 CA LYS A 39 16.052 3.853 -2.478 1.00 0.32 C ATOM 507 C LYS A 39 16.077 2.398 -2.014 1.00 0.29 C ATOM 508 O LYS A 39 16.875 1.601 -2.490 1.00 0.32 O ATOM 509 CB LYS A 39 16.755 4.739 -1.449 1.00 0.35 C ATOM 510 CG LYS A 39 18.236 4.442 -1.303 1.00 0.41 C ATOM 511 CD LYS A 39 18.999 4.782 -2.569 1.00 0.47 C ATOM 512 CE LYS A 39 20.460 4.405 -2.445 1.00 0.54 C ATOM 513 NZ LYS A 39 21.215 4.716 -3.685 1.00 1.25 N ATOM 0 H LYS A 39 14.406 5.086 -2.096 1.00 0.30 H new ATOM 0 HA LYS A 39 16.580 3.933 -3.428 1.00 0.32 H new ATOM 0 HB2 LYS A 39 16.629 5.783 -1.734 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.270 4.612 -0.481 1.00 0.35 H new ATOM 0 HG2 LYS A 39 18.642 5.013 -0.468 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.375 3.387 -1.065 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.556 4.258 -3.416 1.00 0.47 H new ATOM 0 HD3 LYS A 39 18.912 5.849 -2.774 1.00 0.47 H new ATOM 0 HE2 LYS A 39 20.904 4.940 -1.605 1.00 0.54 H new ATOM 0 HE3 LYS A 39 20.544 3.341 -2.225 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 22.232 4.754 -3.472 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 21.037 3.976 -4.394 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 20.905 5.636 -4.059 1.00 1.25 H new ATOM 527 N ALA A 40 15.183 2.059 -1.097 1.00 0.25 N ATOM 528 CA ALA A 40 15.079 0.701 -0.587 1.00 0.24 C ATOM 529 C ALA A 40 14.674 -0.252 -1.697 1.00 0.22 C ATOM 530 O ALA A 40 15.177 -1.366 -1.772 1.00 0.26 O ATOM 531 CB ALA A 40 14.088 0.635 0.570 1.00 0.22 C ATOM 0 H ALA A 40 14.514 2.712 -0.688 1.00 0.25 H new ATOM 0 HA ALA A 40 16.057 0.397 -0.213 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.025 -0.389 0.937 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.424 1.289 1.375 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.105 0.958 0.226 1.00 0.22 H new ATOM 537 N LYS A 41 13.776 0.193 -2.567 1.00 0.23 N ATOM 538 CA LYS A 41 13.369 -0.611 -3.711 1.00 0.26 C ATOM 539 C LYS A 41 14.522 -0.733 -4.707 1.00 0.31 C ATOM 540 O LYS A 41 14.628 -1.708 -5.448 1.00 0.37 O ATOM 541 CB LYS A 41 12.167 0.009 -4.411 1.00 0.29 C ATOM 542 CG LYS A 41 11.649 -0.831 -5.563 1.00 0.41 C ATOM 543 CD LYS A 41 10.647 -0.062 -6.394 1.00 0.78 C ATOM 544 CE LYS A 41 10.162 -0.885 -7.572 1.00 0.89 C ATOM 545 NZ LYS A 41 9.305 -0.094 -8.493 1.00 1.37 N ATOM 0 H LYS A 41 13.318 1.102 -2.502 1.00 0.23 H new ATOM 0 HA LYS A 41 13.094 -1.600 -3.345 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.366 0.153 -3.686 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.441 0.996 -4.784 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.483 -1.144 -6.192 1.00 0.41 H new ATOM 0 HG3 LYS A 41 11.184 -1.737 -5.175 1.00 0.41 H new ATOM 0 HD2 LYS A 41 9.798 0.223 -5.772 1.00 0.78 H new ATOM 0 HD3 LYS A 41 11.102 0.861 -6.755 1.00 0.78 H new ATOM 0 HE2 LYS A 41 11.020 -1.273 -8.120 1.00 0.89 H new ATOM 0 HE3 LYS A 41 9.602 -1.746 -7.206 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 8.996 -0.696 -9.283 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 8.472 0.255 -7.978 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 9.846 0.713 -8.864 1.00 1.37 H new ATOM 559 N GLU A 42 15.362 0.290 -4.741 1.00 0.32 N ATOM 560 CA GLU A 42 16.558 0.286 -5.571 1.00 0.38 C ATOM 561 C GLU A 42 17.561 -0.724 -5.023 1.00 0.40 C ATOM 562 O GLU A 42 18.308 -1.358 -5.772 1.00 0.50 O ATOM 563 CB GLU A 42 17.171 1.689 -5.592 1.00 0.43 C ATOM 564 CG GLU A 42 18.434 1.813 -6.427 1.00 1.11 C ATOM 565 CD GLU A 42 19.063 3.184 -6.304 1.00 1.81 C ATOM 566 OE1 GLU A 42 18.500 4.157 -6.845 1.00 2.03 O ATOM 567 OE2 GLU A 42 20.132 3.298 -5.668 1.00 2.78 O ATOM 0 H GLU A 42 15.235 1.143 -4.197 1.00 0.32 H new ATOM 0 HA GLU A 42 16.295 0.000 -6.590 1.00 0.38 H new ATOM 0 HB2 GLU A 42 16.429 2.390 -5.973 1.00 0.43 H new ATOM 0 HB3 GLU A 42 17.397 1.988 -4.568 1.00 0.43 H new ATOM 0 HG2 GLU A 42 19.152 1.055 -6.113 1.00 1.11 H new ATOM 0 HG3 GLU A 42 18.198 1.615 -7.473 1.00 1.11 H new ATOM 574 N LEU A 43 17.557 -0.863 -3.704 1.00 0.36 N ATOM 575 CA LEU A 43 18.437 -1.793 -3.017 1.00 0.39 C ATOM 576 C LEU A 43 17.899 -3.211 -3.101 1.00 0.39 C ATOM 577 O LEU A 43 18.658 -4.160 -3.305 1.00 0.49 O ATOM 578 CB LEU A 43 18.625 -1.363 -1.566 1.00 0.39 C ATOM 579 CG LEU A 43 19.802 -0.422 -1.333 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.710 0.764 -2.253 1.00 0.42 C ATOM 581 CD2 LEU A 43 19.825 0.046 0.097 1.00 0.45 C ATOM 0 H LEU A 43 16.944 -0.334 -3.083 1.00 0.36 H new ATOM 0 HA LEU A 43 19.409 -1.780 -3.509 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.713 -0.875 -1.224 1.00 0.39 H new ATOM 0 HB3 LEU A 43 18.760 -2.253 -0.951 1.00 0.39 H new ATOM 0 HG LEU A 43 20.723 -0.966 -1.542 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.556 1.428 -2.076 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.726 0.423 -3.288 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.781 1.301 -2.062 1.00 0.42 H new ATOM 0 HD21 LEU A 43 20.671 0.717 0.247 1.00 0.45 H new ATOM 0 HD22 LEU A 43 18.899 0.575 0.322 1.00 0.45 H new ATOM 0 HD23 LEU A 43 19.922 -0.814 0.760 1.00 0.45 H new ATOM 593 N ASP A 44 16.593 -3.359 -2.945 1.00 0.32 N ATOM 594 CA ASP A 44 15.958 -4.639 -3.180 1.00 0.33 C ATOM 595 C ASP A 44 14.642 -4.461 -3.910 1.00 0.32 C ATOM 596 O ASP A 44 13.646 -4.106 -3.305 1.00 0.33 O ATOM 597 CB ASP A 44 15.725 -5.424 -1.891 1.00 0.40 C ATOM 598 CG ASP A 44 15.375 -6.873 -2.177 1.00 0.46 C ATOM 599 OD1 ASP A 44 16.293 -7.688 -2.412 1.00 1.11 O ATOM 600 OD2 ASP A 44 14.172 -7.204 -2.156 1.00 0.52 O ATOM 0 H ASP A 44 15.959 -2.613 -2.659 1.00 0.32 H new ATOM 0 HA ASP A 44 16.646 -5.214 -3.800 1.00 0.33 H new ATOM 0 HB2 ASP A 44 16.620 -5.381 -1.271 1.00 0.40 H new ATOM 0 HB3 ASP A 44 14.920 -4.960 -1.322 1.00 0.40 H new ATOM 605 N PRO A 45 14.635 -4.704 -5.228 1.00 0.41 N ATOM 606 CA PRO A 45 13.440 -4.555 -6.069 1.00 0.49 C ATOM 607 C PRO A 45 12.478 -5.725 -5.927 1.00 0.47 C ATOM 608 O PRO A 45 11.326 -5.658 -6.361 1.00 0.59 O ATOM 609 CB PRO A 45 14.023 -4.550 -7.477 1.00 0.64 C ATOM 610 CG PRO A 45 15.216 -5.428 -7.361 1.00 0.63 C ATOM 611 CD PRO A 45 15.801 -5.132 -6.012 1.00 0.52 C ATOM 0 HA PRO A 45 12.864 -3.668 -5.805 1.00 0.49 H new ATOM 0 HB2 PRO A 45 13.311 -4.934 -8.208 1.00 0.64 H new ATOM 0 HB3 PRO A 45 14.295 -3.544 -7.795 1.00 0.64 H new ATOM 0 HG2 PRO A 45 14.940 -6.479 -7.447 1.00 0.63 H new ATOM 0 HG3 PRO A 45 15.934 -5.221 -8.154 1.00 0.63 H new ATOM 0 HD2 PRO A 45 16.278 -6.011 -5.578 1.00 0.52 H new ATOM 0 HD3 PRO A 45 16.560 -4.351 -6.064 1.00 0.52 H new ATOM 619 N THR A 46 12.964 -6.808 -5.339 1.00 0.39 N ATOM 620 CA THR A 46 12.161 -7.997 -5.140 1.00 0.40 C ATOM 621 C THR A 46 11.374 -7.891 -3.851 1.00 0.40 C ATOM 622 O THR A 46 10.829 -8.870 -3.333 1.00 0.42 O ATOM 623 CB THR A 46 13.035 -9.249 -5.144 1.00 0.42 C ATOM 624 OG1 THR A 46 14.218 -9.048 -4.352 1.00 0.45 O ATOM 625 CG2 THR A 46 13.424 -9.593 -6.568 1.00 0.46 C ATOM 0 H THR A 46 13.919 -6.884 -4.990 1.00 0.39 H new ATOM 0 HA THR A 46 11.456 -8.079 -5.967 1.00 0.40 H new ATOM 0 HB THR A 46 12.466 -10.072 -4.711 1.00 0.42 H new ATOM 0 HG1 THR A 46 14.020 -8.427 -3.620 1.00 0.45 H new ATOM 0 HG21 THR A 46 14.048 -10.487 -6.569 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.525 -9.777 -7.156 1.00 0.46 H new ATOM 0 HG23 THR A 46 13.979 -8.763 -7.004 1.00 0.46 H new ATOM 633 N ASN A 47 11.327 -6.677 -3.354 1.00 0.52 N ATOM 634 CA ASN A 47 10.589 -6.339 -2.172 1.00 0.56 C ATOM 635 C ASN A 47 9.139 -6.077 -2.523 1.00 0.56 C ATOM 636 O ASN A 47 8.837 -5.507 -3.568 1.00 0.89 O ATOM 637 CB ASN A 47 11.174 -5.068 -1.583 1.00 0.78 C ATOM 638 CG ASN A 47 10.666 -3.844 -2.317 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.205 -3.426 -3.334 1.00 2.13 O ATOM 640 ND2 ASN A 47 9.606 -3.263 -1.811 1.00 1.47 N ATOM 0 H ASN A 47 11.813 -5.884 -3.773 1.00 0.52 H new ATOM 0 HA ASN A 47 10.650 -7.163 -1.461 1.00 0.56 H new ATOM 0 HB2 ASN A 47 10.912 -4.998 -0.527 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.262 -5.104 -1.639 1.00 0.78 H new ATOM 0 HD21 ASN A 47 9.209 -2.441 -2.266 1.00 1.47 H new ATOM 0 HD22 ASN A 47 9.178 -3.633 -0.962 1.00 1.47 H new ATOM 647 N MET A 48 8.233 -6.552 -1.706 1.00 0.29 N ATOM 648 CA MET A 48 6.880 -6.055 -1.778 1.00 0.26 C ATOM 649 C MET A 48 6.732 -4.779 -0.928 1.00 0.24 C ATOM 650 O MET A 48 6.106 -3.810 -1.345 1.00 0.24 O ATOM 651 CB MET A 48 5.876 -7.144 -1.394 1.00 0.22 C ATOM 652 CG MET A 48 5.346 -7.077 0.032 1.00 0.19 C ATOM 653 SD MET A 48 4.053 -5.840 0.253 1.00 1.05 S ATOM 654 CE MET A 48 2.942 -6.309 -1.066 1.00 0.27 C ATOM 0 H MET A 48 8.400 -7.267 -0.998 1.00 0.29 H new ATOM 0 HA MET A 48 6.656 -5.780 -2.809 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.030 -7.092 -2.080 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.347 -8.116 -1.542 1.00 0.22 H new ATOM 0 HG2 MET A 48 4.956 -8.055 0.314 1.00 0.19 H new ATOM 0 HG3 MET A 48 6.171 -6.856 0.709 1.00 0.19 H new ATOM 0 HE1 MET A 48 1.911 -6.191 -0.732 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.118 -5.672 -1.933 1.00 0.27 H new ATOM 0 HE3 MET A 48 3.119 -7.350 -1.338 1.00 0.27 H new ATOM 664 N THR A 49 7.354 -4.775 0.255 1.00 0.24 N ATOM 665 CA THR A 49 7.104 -3.733 1.257 1.00 0.26 C ATOM 666 C THR A 49 7.545 -2.348 0.807 1.00 0.28 C ATOM 667 O THR A 49 6.733 -1.433 0.741 1.00 0.39 O ATOM 668 CB THR A 49 7.758 -4.054 2.612 1.00 0.29 C ATOM 669 OG1 THR A 49 8.221 -2.871 3.265 1.00 0.71 O ATOM 670 CG2 THR A 49 8.881 -5.029 2.437 1.00 0.64 C ATOM 0 H THR A 49 8.033 -5.480 0.542 1.00 0.24 H new ATOM 0 HA THR A 49 6.021 -3.722 1.377 1.00 0.26 H new ATOM 0 HB THR A 49 6.996 -4.507 3.246 1.00 0.29 H new ATOM 0 HG1 THR A 49 7.660 -2.689 4.048 1.00 0.71 H new ATOM 0 HG21 THR A 49 9.331 -5.244 3.406 1.00 0.64 H new ATOM 0 HG22 THR A 49 8.497 -5.952 2.003 1.00 0.64 H new ATOM 0 HG23 THR A 49 9.634 -4.602 1.774 1.00 0.64 H new ATOM 678 N TYR A 50 8.831 -2.206 0.504 1.00 0.23 N ATOM 679 CA TYR A 50 9.408 -0.918 0.114 1.00 0.23 C ATOM 680 C TYR A 50 8.567 -0.248 -0.976 1.00 0.26 C ATOM 681 O TYR A 50 8.447 0.970 -1.020 1.00 0.42 O ATOM 682 CB TYR A 50 10.854 -1.088 -0.388 1.00 0.21 C ATOM 683 CG TYR A 50 11.716 -2.033 0.434 1.00 0.22 C ATOM 684 CD1 TYR A 50 11.436 -2.325 1.770 1.00 0.28 C ATOM 685 CD2 TYR A 50 12.819 -2.647 -0.146 1.00 0.25 C ATOM 686 CE1 TYR A 50 12.230 -3.197 2.487 1.00 0.35 C ATOM 687 CE2 TYR A 50 13.611 -3.513 0.568 1.00 0.31 C ATOM 688 CZ TYR A 50 13.316 -3.788 1.880 1.00 0.34 C ATOM 689 OH TYR A 50 14.104 -4.665 2.589 1.00 0.44 O ATOM 0 H TYR A 50 9.502 -2.974 0.521 1.00 0.23 H new ATOM 0 HA TYR A 50 9.413 -0.283 1.000 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.825 -1.449 -1.416 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.333 -0.109 -0.408 1.00 0.21 H new ATOM 0 HD1 TYR A 50 10.586 -1.862 2.249 1.00 0.28 H new ATOM 0 HD2 TYR A 50 13.058 -2.439 -1.178 1.00 0.25 H new ATOM 0 HE1 TYR A 50 12.001 -3.415 3.520 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.465 -3.977 0.097 1.00 0.31 H new ATOM 0 HH TYR A 50 14.827 -4.993 2.014 1.00 0.44 H new ATOM 699 N ILE A 51 7.946 -1.069 -1.820 1.00 0.18 N ATOM 700 CA ILE A 51 7.159 -0.581 -2.935 1.00 0.19 C ATOM 701 C ILE A 51 5.792 -0.086 -2.452 1.00 0.19 C ATOM 702 O ILE A 51 5.325 0.976 -2.864 1.00 0.22 O ATOM 703 CB ILE A 51 6.953 -1.681 -4.005 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.289 -2.136 -4.600 1.00 0.25 C ATOM 705 CG2 ILE A 51 6.033 -1.190 -5.111 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.146 -3.257 -5.610 1.00 0.33 C ATOM 0 H ILE A 51 7.978 -2.086 -1.745 1.00 0.18 H new ATOM 0 HA ILE A 51 7.710 0.246 -3.384 1.00 0.19 H new ATOM 0 HB ILE A 51 6.489 -2.535 -3.512 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.774 -1.285 -5.078 1.00 0.25 H new ATOM 0 HG13 ILE A 51 8.945 -2.465 -3.794 1.00 0.25 H new ATOM 0 HG21 ILE A 51 5.902 -1.978 -5.852 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.064 -0.925 -4.688 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.472 -0.314 -5.588 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.130 -3.531 -5.992 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.689 -4.123 -5.130 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.516 -2.925 -6.435 1.00 0.33 H new ATOM 718 N THR A 52 5.158 -0.854 -1.567 1.00 0.20 N ATOM 719 CA THR A 52 3.867 -0.459 -1.012 1.00 0.24 C ATOM 720 C THR A 52 4.039 0.738 -0.095 1.00 0.24 C ATOM 721 O THR A 52 3.129 1.550 0.069 1.00 0.27 O ATOM 722 CB THR A 52 3.196 -1.598 -0.222 1.00 0.27 C ATOM 723 OG1 THR A 52 3.991 -1.968 0.909 1.00 0.28 O ATOM 724 CG2 THR A 52 2.985 -2.807 -1.098 1.00 0.26 C ATOM 0 H THR A 52 5.514 -1.745 -1.222 1.00 0.20 H new ATOM 0 HA THR A 52 3.224 -0.206 -1.855 1.00 0.24 H new ATOM 0 HB THR A 52 2.228 -1.233 0.123 1.00 0.27 H new ATOM 0 HG1 THR A 52 4.928 -1.737 0.740 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.510 -3.598 -0.518 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.345 -2.540 -1.939 1.00 0.26 H new ATOM 0 HG23 THR A 52 3.947 -3.158 -1.471 1.00 0.26 H new ATOM 732 N ASN A 53 5.216 0.831 0.504 1.00 0.25 N ATOM 733 CA ASN A 53 5.570 1.970 1.330 1.00 0.27 C ATOM 734 C ASN A 53 5.679 3.211 0.460 1.00 0.24 C ATOM 735 O ASN A 53 5.212 4.285 0.836 1.00 0.27 O ATOM 736 CB ASN A 53 6.885 1.714 2.073 1.00 0.34 C ATOM 737 CG ASN A 53 6.736 0.773 3.259 1.00 0.81 C ATOM 738 OD1 ASN A 53 7.453 0.894 4.251 1.00 1.59 O ATOM 739 ND2 ASN A 53 5.820 -0.179 3.169 1.00 1.42 N ATOM 0 H ASN A 53 5.947 0.123 0.431 1.00 0.25 H new ATOM 0 HA ASN A 53 4.791 2.124 2.076 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.612 1.296 1.376 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.288 2.665 2.422 1.00 0.34 H new ATOM 0 HD21 ASN A 53 5.693 -0.839 3.936 1.00 1.42 H new ATOM 0 HD22 ASN A 53 5.241 -0.252 2.332 1.00 1.42 H new ATOM 746 N GLN A 54 6.284 3.053 -0.715 1.00 0.23 N ATOM 747 CA GLN A 54 6.320 4.121 -1.706 1.00 0.25 C ATOM 748 C GLN A 54 4.908 4.531 -2.074 1.00 0.25 C ATOM 749 O GLN A 54 4.574 5.716 -2.095 1.00 0.28 O ATOM 750 CB GLN A 54 7.039 3.676 -2.975 1.00 0.27 C ATOM 751 CG GLN A 54 8.512 3.384 -2.793 1.00 0.40 C ATOM 752 CD GLN A 54 9.190 3.024 -4.098 1.00 0.62 C ATOM 753 OE1 GLN A 54 10.131 2.241 -4.122 1.00 1.27 O ATOM 754 NE2 GLN A 54 8.721 3.603 -5.195 1.00 1.34 N ATOM 0 H GLN A 54 6.755 2.195 -1.002 1.00 0.23 H new ATOM 0 HA GLN A 54 6.859 4.960 -1.267 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.549 2.782 -3.360 1.00 0.27 H new ATOM 0 HB3 GLN A 54 6.926 4.452 -3.732 1.00 0.27 H new ATOM 0 HG2 GLN A 54 9.002 4.256 -2.359 1.00 0.40 H new ATOM 0 HG3 GLN A 54 8.633 2.565 -2.085 1.00 0.40 H new ATOM 0 HE21 GLN A 54 7.935 4.250 -5.134 1.00 1.34 H new ATOM 0 HE22 GLN A 54 9.146 3.401 -6.100 1.00 1.34 H new ATOM 763 N ALA A 55 4.090 3.529 -2.374 1.00 0.24 N ATOM 764 CA ALA A 55 2.697 3.740 -2.724 1.00 0.25 C ATOM 765 C ALA A 55 1.978 4.519 -1.629 1.00 0.26 C ATOM 766 O ALA A 55 1.197 5.429 -1.907 1.00 0.30 O ATOM 767 CB ALA A 55 2.015 2.400 -2.959 1.00 0.24 C ATOM 0 H ALA A 55 4.376 2.550 -2.381 1.00 0.24 H new ATOM 0 HA ALA A 55 2.652 4.327 -3.642 1.00 0.25 H new ATOM 0 HB1 ALA A 55 0.970 2.565 -3.221 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.515 1.875 -3.773 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.071 1.799 -2.051 1.00 0.24 H new ATOM 773 N ALA A 56 2.270 4.161 -0.383 1.00 0.26 N ATOM 774 CA ALA A 56 1.715 4.847 0.775 1.00 0.27 C ATOM 775 C ALA A 56 2.066 6.327 0.744 1.00 0.26 C ATOM 776 O ALA A 56 1.243 7.177 1.083 1.00 0.30 O ATOM 777 CB ALA A 56 2.224 4.216 2.061 1.00 0.29 C ATOM 0 H ALA A 56 2.896 3.390 -0.149 1.00 0.26 H new ATOM 0 HA ALA A 56 0.630 4.748 0.740 1.00 0.27 H new ATOM 0 HB1 ALA A 56 1.799 4.741 2.917 1.00 0.29 H new ATOM 0 HB2 ALA A 56 1.927 3.168 2.094 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.311 4.286 2.095 1.00 0.29 H new ATOM 783 N VAL A 57 3.290 6.633 0.330 1.00 0.26 N ATOM 784 CA VAL A 57 3.719 8.016 0.223 1.00 0.27 C ATOM 785 C VAL A 57 2.913 8.742 -0.833 1.00 0.26 C ATOM 786 O VAL A 57 2.408 9.820 -0.585 1.00 0.30 O ATOM 787 CB VAL A 57 5.213 8.160 -0.111 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.588 9.620 -0.174 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.056 7.440 0.918 1.00 0.30 C ATOM 0 H VAL A 57 3.996 5.946 0.065 1.00 0.26 H new ATOM 0 HA VAL A 57 3.551 8.459 1.205 1.00 0.27 H new ATOM 0 HB VAL A 57 5.402 7.707 -1.084 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.648 9.714 -0.411 1.00 0.33 H new ATOM 0 HG12 VAL A 57 4.998 10.114 -0.946 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.389 10.089 0.790 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.111 7.552 0.667 1.00 0.30 H new ATOM 0 HG22 VAL A 57 5.870 7.867 1.904 1.00 0.30 H new ATOM 0 HG23 VAL A 57 5.795 6.382 0.926 1.00 0.30 H new ATOM 799 N TYR A 58 2.792 8.138 -2.007 1.00 0.25 N ATOM 800 CA TYR A 58 1.999 8.716 -3.091 1.00 0.27 C ATOM 801 C TYR A 58 0.573 8.962 -2.637 1.00 0.28 C ATOM 802 O TYR A 58 -0.033 9.966 -2.994 1.00 0.29 O ATOM 803 CB TYR A 58 1.999 7.786 -4.290 1.00 0.27 C ATOM 804 CG TYR A 58 3.301 7.767 -5.036 1.00 0.28 C ATOM 805 CD1 TYR A 58 3.644 8.800 -5.891 1.00 0.35 C ATOM 806 CD2 TYR A 58 4.187 6.717 -4.887 1.00 0.28 C ATOM 807 CE1 TYR A 58 4.839 8.788 -6.577 1.00 0.38 C ATOM 808 CE2 TYR A 58 5.382 6.690 -5.568 1.00 0.30 C ATOM 809 CZ TYR A 58 5.709 7.729 -6.412 1.00 0.33 C ATOM 810 OH TYR A 58 6.900 7.703 -7.098 1.00 0.37 O ATOM 0 H TYR A 58 3.232 7.247 -2.236 1.00 0.25 H new ATOM 0 HA TYR A 58 2.447 9.669 -3.373 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.767 6.775 -3.955 1.00 0.27 H new ATOM 0 HB3 TYR A 58 1.203 8.086 -4.972 1.00 0.27 H new ATOM 0 HD1 TYR A 58 2.964 9.629 -6.023 1.00 0.35 H new ATOM 0 HD2 TYR A 58 3.937 5.902 -4.224 1.00 0.28 H new ATOM 0 HE1 TYR A 58 5.093 9.602 -7.240 1.00 0.38 H new ATOM 0 HE2 TYR A 58 6.060 5.859 -5.442 1.00 0.30 H new ATOM 0 HH TYR A 58 7.393 6.889 -6.866 1.00 0.37 H new ATOM 820 N PHE A 59 0.054 8.041 -1.843 1.00 0.30 N ATOM 821 CA PHE A 59 -1.259 8.191 -1.241 1.00 0.32 C ATOM 822 C PHE A 59 -1.323 9.501 -0.455 1.00 0.35 C ATOM 823 O PHE A 59 -2.273 10.273 -0.577 1.00 0.42 O ATOM 824 CB PHE A 59 -1.526 6.999 -0.327 1.00 0.33 C ATOM 825 CG PHE A 59 -2.945 6.892 0.150 1.00 0.35 C ATOM 826 CD1 PHE A 59 -3.442 7.762 1.107 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.782 5.919 -0.364 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.748 7.665 1.540 1.00 0.56 C ATOM 829 CE2 PHE A 59 -5.087 5.816 0.068 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.571 6.690 1.019 1.00 0.47 C ATOM 0 H PHE A 59 0.529 7.172 -1.599 1.00 0.30 H new ATOM 0 HA PHE A 59 -2.023 8.222 -2.018 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -1.263 6.084 -0.857 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.868 7.066 0.539 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.799 8.526 1.519 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.410 5.233 -1.111 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -5.124 8.351 2.285 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.731 5.050 -0.339 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.594 6.610 1.355 1.00 0.47 H new ATOM 840 N GLU A 60 -0.281 9.749 0.328 1.00 0.34 N ATOM 841 CA GLU A 60 -0.163 10.972 1.115 1.00 0.37 C ATOM 842 C GLU A 60 0.166 12.164 0.217 1.00 0.35 C ATOM 843 O GLU A 60 -0.201 13.304 0.508 1.00 0.41 O ATOM 844 CB GLU A 60 0.926 10.789 2.164 1.00 0.39 C ATOM 845 CG GLU A 60 0.643 9.646 3.123 1.00 0.44 C ATOM 846 CD GLU A 60 -0.548 9.906 4.017 1.00 0.91 C ATOM 847 OE1 GLU A 60 -1.683 9.596 3.603 1.00 1.07 O ATOM 848 OE2 GLU A 60 -0.364 10.436 5.130 1.00 1.42 O ATOM 0 H GLU A 60 0.506 9.109 0.436 1.00 0.34 H new ATOM 0 HA GLU A 60 -1.115 11.172 1.606 1.00 0.37 H new ATOM 0 HB2 GLU A 60 1.877 10.609 1.664 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.035 11.713 2.732 1.00 0.39 H new ATOM 0 HG2 GLU A 60 0.469 8.734 2.552 1.00 0.44 H new ATOM 0 HG3 GLU A 60 1.523 9.472 3.742 1.00 0.44 H new ATOM 855 N LYS A 61 0.858 11.882 -0.877 1.00 0.32 N ATOM 856 CA LYS A 61 1.274 12.902 -1.825 1.00 0.33 C ATOM 857 C LYS A 61 0.092 13.389 -2.656 1.00 0.35 C ATOM 858 O LYS A 61 0.113 14.495 -3.193 1.00 0.40 O ATOM 859 CB LYS A 61 2.371 12.364 -2.746 1.00 0.33 C ATOM 860 CG LYS A 61 3.674 12.077 -2.025 1.00 0.48 C ATOM 861 CD LYS A 61 4.873 12.220 -2.946 1.00 0.49 C ATOM 862 CE LYS A 61 4.835 11.230 -4.096 1.00 0.36 C ATOM 863 NZ LYS A 61 5.999 11.420 -5.002 1.00 1.10 N ATOM 0 H LYS A 61 1.147 10.937 -1.132 1.00 0.32 H new ATOM 0 HA LYS A 61 1.669 13.744 -1.257 1.00 0.33 H new ATOM 0 HB2 LYS A 61 2.019 11.449 -3.223 1.00 0.33 H new ATOM 0 HB3 LYS A 61 2.555 13.087 -3.541 1.00 0.33 H new ATOM 0 HG2 LYS A 61 3.780 12.759 -1.182 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.648 11.067 -1.616 1.00 0.48 H new ATOM 0 HD2 LYS A 61 4.905 13.235 -3.343 1.00 0.49 H new ATOM 0 HD3 LYS A 61 5.789 12.073 -2.373 1.00 0.49 H new ATOM 0 HE2 LYS A 61 4.836 10.213 -3.705 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.909 11.354 -4.657 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 6.210 10.525 -5.489 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 5.775 12.153 -5.705 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 6.827 11.715 -4.446 1.00 1.10 H new ATOM 877 N GLY A 62 -0.936 12.557 -2.757 1.00 0.34 N ATOM 878 CA GLY A 62 -2.098 12.906 -3.545 1.00 0.36 C ATOM 879 C GLY A 62 -2.182 12.109 -4.831 1.00 0.33 C ATOM 880 O GLY A 62 -3.116 12.281 -5.618 1.00 0.35 O ATOM 0 H GLY A 62 -0.984 11.644 -2.305 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -2.999 12.736 -2.955 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.068 13.970 -3.781 1.00 0.36 H new ATOM 884 N ASP A 63 -1.214 11.227 -5.042 1.00 0.31 N ATOM 885 CA ASP A 63 -1.177 10.405 -6.244 1.00 0.30 C ATOM 886 C ASP A 63 -1.780 9.036 -5.958 1.00 0.27 C ATOM 887 O ASP A 63 -1.063 8.080 -5.652 1.00 0.32 O ATOM 888 CB ASP A 63 0.255 10.233 -6.758 1.00 0.32 C ATOM 889 CG ASP A 63 0.292 9.904 -8.240 1.00 0.84 C ATOM 890 OD1 ASP A 63 -0.535 9.088 -8.700 1.00 1.26 O ATOM 891 OD2 ASP A 63 1.146 10.460 -8.956 1.00 1.26 O ATOM 0 H ASP A 63 -0.443 11.062 -4.395 1.00 0.31 H new ATOM 0 HA ASP A 63 -1.760 10.912 -7.013 1.00 0.30 H new ATOM 0 HB2 ASP A 63 0.818 11.148 -6.576 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.748 9.439 -6.198 1.00 0.32 H new ATOM 896 N TYR A 64 -3.098 8.941 -6.054 1.00 0.27 N ATOM 897 CA TYR A 64 -3.791 7.693 -5.765 1.00 0.28 C ATOM 898 C TYR A 64 -3.651 6.726 -6.934 1.00 0.29 C ATOM 899 O TYR A 64 -3.863 5.521 -6.791 1.00 0.34 O ATOM 900 CB TYR A 64 -5.266 7.956 -5.429 1.00 0.29 C ATOM 901 CG TYR A 64 -5.434 8.929 -4.284 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.171 8.541 -2.975 1.00 0.33 C ATOM 903 CD2 TYR A 64 -5.830 10.241 -4.511 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.304 9.431 -1.928 1.00 0.36 C ATOM 905 CE2 TYR A 64 -5.962 11.138 -3.467 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.697 10.727 -2.178 1.00 0.38 C ATOM 907 OH TYR A 64 -5.830 11.614 -1.134 1.00 0.43 O ATOM 0 H TYR A 64 -3.708 9.711 -6.329 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.331 7.232 -4.891 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.772 8.347 -6.311 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.751 7.014 -5.175 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.858 7.527 -2.774 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -6.038 10.566 -5.520 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -5.101 9.112 -0.916 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.271 12.155 -3.660 1.00 0.39 H new ATOM 0 HH TYR A 64 -6.113 12.486 -1.480 1.00 0.43 H new ATOM 917 N ASN A 65 -3.261 7.264 -8.084 1.00 0.31 N ATOM 918 CA ASN A 65 -3.020 6.450 -9.266 1.00 0.37 C ATOM 919 C ASN A 65 -1.715 5.676 -9.116 1.00 0.33 C ATOM 920 O ASN A 65 -1.676 4.462 -9.310 1.00 0.34 O ATOM 921 CB ASN A 65 -2.959 7.319 -10.518 1.00 0.47 C ATOM 922 CG ASN A 65 -2.893 6.499 -11.793 1.00 1.17 C ATOM 923 OD1 ASN A 65 -3.491 5.427 -11.889 1.00 1.66 O ATOM 924 ND2 ASN A 65 -2.163 6.991 -12.779 1.00 2.18 N ATOM 0 H ASN A 65 -3.105 8.263 -8.221 1.00 0.31 H new ATOM 0 HA ASN A 65 -3.847 5.747 -9.368 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -3.836 7.965 -10.551 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -2.086 7.969 -10.463 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -2.081 6.479 -13.657 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -1.682 7.883 -12.662 1.00 2.18 H new ATOM 931 N LYS A 66 -0.651 6.387 -8.755 1.00 0.34 N ATOM 932 CA LYS A 66 0.650 5.764 -8.538 1.00 0.32 C ATOM 933 C LYS A 66 0.580 4.762 -7.400 1.00 0.31 C ATOM 934 O LYS A 66 1.221 3.715 -7.442 1.00 0.32 O ATOM 935 CB LYS A 66 1.701 6.794 -8.180 1.00 0.29 C ATOM 936 CG LYS A 66 3.102 6.216 -8.156 1.00 0.40 C ATOM 937 CD LYS A 66 3.614 5.855 -9.535 1.00 0.63 C ATOM 938 CE LYS A 66 5.042 5.342 -9.451 1.00 0.42 C ATOM 939 NZ LYS A 66 5.646 5.126 -10.791 1.00 0.68 N ATOM 0 H LYS A 66 -0.665 7.396 -8.607 1.00 0.34 H new ATOM 0 HA LYS A 66 0.921 5.267 -9.469 1.00 0.32 H new ATOM 0 HB2 LYS A 66 1.662 7.612 -8.899 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.470 7.218 -7.203 1.00 0.29 H new ATOM 0 HG2 LYS A 66 3.780 6.938 -7.700 1.00 0.40 H new ATOM 0 HG3 LYS A 66 3.112 5.327 -7.526 1.00 0.40 H new ATOM 0 HD2 LYS A 66 2.973 5.094 -9.981 1.00 0.63 H new ATOM 0 HD3 LYS A 66 3.572 6.728 -10.186 1.00 0.63 H new ATOM 0 HE2 LYS A 66 5.649 6.055 -8.893 1.00 0.42 H new ATOM 0 HE3 LYS A 66 5.057 4.405 -8.894 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 6.681 5.076 -10.701 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 5.290 4.235 -11.193 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 5.391 5.915 -11.418 1.00 0.68 H new ATOM 953 N CYS A 67 -0.175 5.108 -6.365 1.00 0.31 N ATOM 954 CA CYS A 67 -0.352 4.217 -5.235 1.00 0.32 C ATOM 955 C CYS A 67 -0.927 2.888 -5.715 1.00 0.36 C ATOM 956 O CYS A 67 -0.410 1.826 -5.376 1.00 0.39 O ATOM 957 CB CYS A 67 -1.253 4.861 -4.179 1.00 0.33 C ATOM 958 SG CYS A 67 -1.613 3.800 -2.762 1.00 1.29 S ATOM 0 H CYS A 67 -0.671 5.996 -6.288 1.00 0.31 H new ATOM 0 HA CYS A 67 0.616 4.029 -4.771 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -0.779 5.775 -3.822 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -2.193 5.152 -4.648 1.00 0.33 H new ATOM 0 HG CYS A 67 -2.894 3.589 -2.692 1.00 1.29 H new ATOM 964 N ARG A 68 -1.971 2.966 -6.539 1.00 0.38 N ATOM 965 CA ARG A 68 -2.557 1.786 -7.177 1.00 0.45 C ATOM 966 C ARG A 68 -1.525 1.064 -8.046 1.00 0.42 C ATOM 967 O ARG A 68 -1.464 -0.173 -8.081 1.00 0.48 O ATOM 968 CB ARG A 68 -3.760 2.203 -8.025 1.00 0.60 C ATOM 969 CG ARG A 68 -4.202 1.151 -9.030 1.00 1.00 C ATOM 970 CD ARG A 68 -5.451 1.588 -9.770 1.00 1.21 C ATOM 971 NE ARG A 68 -5.324 2.931 -10.333 1.00 1.92 N ATOM 972 CZ ARG A 68 -6.112 3.955 -9.998 1.00 2.48 C ATOM 973 NH1 ARG A 68 -7.070 3.786 -9.093 1.00 2.64 N ATOM 974 NH2 ARG A 68 -5.936 5.140 -10.566 1.00 3.39 N ATOM 0 H ARG A 68 -2.433 3.842 -6.783 1.00 0.38 H new ATOM 0 HA ARG A 68 -2.884 1.097 -6.398 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.596 2.433 -7.364 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -3.514 3.121 -8.559 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -3.399 0.967 -9.744 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -4.392 0.210 -8.515 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -5.662 0.880 -10.571 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -6.302 1.561 -9.089 1.00 1.21 H new ATOM 0 HE ARG A 68 -4.590 3.095 -11.022 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -7.203 2.874 -8.655 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -7.673 4.568 -8.836 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -5.199 5.269 -11.259 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -6.538 5.923 -10.310 1.00 3.39 H new ATOM 988 N GLU A 69 -0.720 1.851 -8.737 1.00 0.38 N ATOM 989 CA GLU A 69 0.333 1.327 -9.590 1.00 0.37 C ATOM 990 C GLU A 69 1.314 0.462 -8.794 1.00 0.31 C ATOM 991 O GLU A 69 1.588 -0.686 -9.153 1.00 0.34 O ATOM 992 CB GLU A 69 1.075 2.491 -10.265 1.00 0.38 C ATOM 993 CG GLU A 69 2.171 2.042 -11.218 1.00 0.67 C ATOM 994 CD GLU A 69 2.859 3.201 -11.902 1.00 1.20 C ATOM 995 OE1 GLU A 69 2.159 4.053 -12.489 1.00 1.19 O ATOM 996 OE2 GLU A 69 4.106 3.266 -11.867 1.00 2.08 O ATOM 0 H GLU A 69 -0.777 2.869 -8.723 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.123 0.695 -10.353 1.00 0.37 H new ATOM 0 HB2 GLU A 69 0.356 3.101 -10.812 1.00 0.38 H new ATOM 0 HB3 GLU A 69 1.512 3.127 -9.496 1.00 0.38 H new ATOM 0 HG2 GLU A 69 2.910 1.460 -10.667 1.00 0.67 H new ATOM 0 HG3 GLU A 69 1.743 1.382 -11.973 1.00 0.67 H new ATOM 1003 N LEU A 70 1.798 0.998 -7.688 1.00 0.24 N ATOM 1004 CA LEU A 70 2.880 0.369 -6.953 1.00 0.21 C ATOM 1005 C LEU A 70 2.388 -0.758 -6.058 1.00 0.22 C ATOM 1006 O LEU A 70 3.058 -1.776 -5.928 1.00 0.23 O ATOM 1007 CB LEU A 70 3.625 1.406 -6.120 1.00 0.20 C ATOM 1008 CG LEU A 70 4.419 2.445 -6.913 1.00 0.21 C ATOM 1009 CD1 LEU A 70 5.124 3.386 -5.960 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.425 1.769 -7.834 1.00 0.24 C ATOM 0 H LEU A 70 1.458 1.868 -7.279 1.00 0.24 H new ATOM 0 HA LEU A 70 3.558 -0.066 -7.687 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.903 1.928 -5.493 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.310 0.885 -5.451 1.00 0.20 H new ATOM 0 HG LEU A 70 3.727 3.016 -7.532 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.689 4.125 -6.529 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.387 3.893 -5.338 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.805 2.819 -5.326 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.978 2.527 -8.388 1.00 0.24 H new ATOM 0 HD22 LEU A 70 6.120 1.175 -7.240 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.899 1.120 -8.534 1.00 0.24 H new ATOM 1022 N CYS A 71 1.229 -0.581 -5.446 1.00 0.24 N ATOM 1023 CA CYS A 71 0.701 -1.579 -4.520 1.00 0.25 C ATOM 1024 C CYS A 71 0.550 -2.935 -5.184 1.00 0.24 C ATOM 1025 O CYS A 71 1.119 -3.921 -4.726 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.653 -1.151 -3.981 1.00 0.32 C ATOM 1027 SG CYS A 71 -1.799 -0.618 -5.261 1.00 1.10 S ATOM 0 H CYS A 71 0.635 0.239 -5.570 1.00 0.24 H new ATOM 0 HA CYS A 71 1.418 -1.661 -3.703 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.095 -1.982 -3.431 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.511 -0.337 -3.270 1.00 0.32 H new ATOM 0 HG CYS A 71 -1.196 -0.621 -6.412 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.223 -2.979 -6.261 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.487 -4.231 -6.948 1.00 0.26 C ATOM 1035 C GLU A 72 0.798 -4.816 -7.527 1.00 0.23 C ATOM 1036 O GLU A 72 0.956 -6.034 -7.589 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.522 -4.022 -8.037 1.00 0.34 C ATOM 1038 CG GLU A 72 -2.787 -4.827 -7.830 1.00 0.87 C ATOM 1039 CD GLU A 72 -3.691 -4.791 -9.040 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -4.225 -3.703 -9.354 1.00 2.09 O ATOM 1041 OE2 GLU A 72 -3.890 -5.848 -9.668 1.00 1.68 O ATOM 0 H GLU A 72 -0.676 -2.164 -6.675 1.00 0.25 H new ATOM 0 HA GLU A 72 -0.882 -4.945 -6.225 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.778 -2.964 -8.086 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -1.084 -4.289 -8.999 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -2.525 -5.861 -7.605 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -3.325 -4.439 -6.965 1.00 0.87 H new ATOM 1048 N LYS A 73 1.717 -3.943 -7.935 1.00 0.23 N ATOM 1049 CA LYS A 73 3.036 -4.375 -8.381 1.00 0.23 C ATOM 1050 C LYS A 73 3.770 -5.065 -7.238 1.00 0.20 C ATOM 1051 O LYS A 73 4.279 -6.172 -7.393 1.00 0.21 O ATOM 1052 CB LYS A 73 3.857 -3.178 -8.884 1.00 0.27 C ATOM 1053 CG LYS A 73 5.310 -3.500 -9.226 1.00 0.33 C ATOM 1054 CD LYS A 73 5.484 -4.078 -10.630 1.00 0.57 C ATOM 1055 CE LYS A 73 4.892 -5.472 -10.768 1.00 0.60 C ATOM 1056 NZ LYS A 73 5.257 -6.106 -12.060 1.00 1.23 N ATOM 0 H LYS A 73 1.571 -2.934 -7.965 1.00 0.23 H new ATOM 0 HA LYS A 73 2.910 -5.078 -9.204 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.372 -2.768 -9.770 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.841 -2.398 -8.123 1.00 0.27 H new ATOM 0 HG2 LYS A 73 5.907 -2.592 -9.137 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.699 -4.210 -8.497 1.00 0.33 H new ATOM 0 HD2 LYS A 73 5.011 -3.414 -11.353 1.00 0.57 H new ATOM 0 HD3 LYS A 73 6.545 -4.112 -10.875 1.00 0.57 H new ATOM 0 HE2 LYS A 73 5.241 -6.097 -9.946 1.00 0.60 H new ATOM 0 HE3 LYS A 73 3.807 -5.415 -10.686 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 4.632 -6.918 -12.237 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 5.151 -5.413 -12.829 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 6.244 -6.431 -12.020 1.00 1.23 H new ATOM 1070 N ALA A 74 3.804 -4.401 -6.093 1.00 0.19 N ATOM 1071 CA ALA A 74 4.434 -4.941 -4.899 1.00 0.17 C ATOM 1072 C ALA A 74 3.792 -6.252 -4.496 1.00 0.16 C ATOM 1073 O ALA A 74 4.476 -7.203 -4.142 1.00 0.16 O ATOM 1074 CB ALA A 74 4.321 -3.956 -3.760 1.00 0.18 C ATOM 0 H ALA A 74 3.397 -3.475 -5.966 1.00 0.19 H new ATOM 0 HA ALA A 74 5.486 -5.119 -5.124 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.796 -4.371 -2.871 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.816 -3.024 -4.034 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.269 -3.760 -3.551 1.00 0.18 H new ATOM 1080 N ILE A 75 2.471 -6.287 -4.540 1.00 0.16 N ATOM 1081 CA ILE A 75 1.728 -7.488 -4.212 1.00 0.16 C ATOM 1082 C ILE A 75 2.083 -8.609 -5.171 1.00 0.17 C ATOM 1083 O ILE A 75 2.305 -9.745 -4.752 1.00 0.18 O ATOM 1084 CB ILE A 75 0.210 -7.233 -4.239 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.181 -6.303 -3.097 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.566 -8.537 -4.158 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.670 -6.102 -2.970 1.00 0.23 C ATOM 0 H ILE A 75 1.889 -5.491 -4.802 1.00 0.16 H new ATOM 0 HA ILE A 75 2.005 -7.783 -3.200 1.00 0.16 H new ATOM 0 HB ILE A 75 -0.043 -6.756 -5.186 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.204 -6.707 -2.161 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.297 -5.335 -3.247 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.635 -8.326 -4.179 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.304 -9.170 -5.006 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.316 -9.052 -3.230 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.877 -5.429 -2.138 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -2.059 -5.669 -3.892 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.153 -7.062 -2.789 1.00 0.23 H new ATOM 1099 N GLU A 76 2.154 -8.276 -6.452 1.00 0.18 N ATOM 1100 CA GLU A 76 2.562 -9.232 -7.469 1.00 0.21 C ATOM 1101 C GLU A 76 3.950 -9.772 -7.139 1.00 0.20 C ATOM 1102 O GLU A 76 4.176 -10.978 -7.134 1.00 0.24 O ATOM 1103 CB GLU A 76 2.570 -8.558 -8.838 1.00 0.24 C ATOM 1104 CG GLU A 76 2.865 -9.499 -9.992 1.00 0.77 C ATOM 1105 CD GLU A 76 2.892 -8.780 -11.322 1.00 1.47 C ATOM 1106 OE1 GLU A 76 1.808 -8.508 -11.879 1.00 1.62 O ATOM 1107 OE2 GLU A 76 3.996 -8.470 -11.817 1.00 2.35 O ATOM 0 H GLU A 76 1.933 -7.347 -6.812 1.00 0.18 H new ATOM 0 HA GLU A 76 1.855 -10.062 -7.490 1.00 0.21 H new ATOM 0 HB2 GLU A 76 1.601 -8.088 -9.005 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.314 -7.761 -8.834 1.00 0.24 H new ATOM 0 HG2 GLU A 76 3.825 -9.986 -9.825 1.00 0.77 H new ATOM 0 HG3 GLU A 76 2.110 -10.284 -10.021 1.00 0.77 H new ATOM 1114 N VAL A 77 4.854 -8.848 -6.839 1.00 0.21 N ATOM 1115 CA VAL A 77 6.228 -9.164 -6.463 1.00 0.22 C ATOM 1116 C VAL A 77 6.288 -10.039 -5.214 1.00 0.21 C ATOM 1117 O VAL A 77 6.970 -11.057 -5.195 1.00 0.24 O ATOM 1118 CB VAL A 77 7.014 -7.857 -6.206 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.318 -8.120 -5.469 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.273 -7.115 -7.508 1.00 0.25 C ATOM 0 H VAL A 77 4.653 -7.848 -6.850 1.00 0.21 H new ATOM 0 HA VAL A 77 6.675 -9.718 -7.288 1.00 0.22 H new ATOM 0 HB VAL A 77 6.396 -7.227 -5.567 1.00 0.22 H new ATOM 0 HG11 VAL A 77 8.841 -7.177 -5.307 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.105 -8.586 -4.507 1.00 0.22 H new ATOM 0 HG13 VAL A 77 8.944 -8.785 -6.064 1.00 0.22 H new ATOM 0 HG21 VAL A 77 7.827 -6.199 -7.301 1.00 0.25 H new ATOM 0 HG22 VAL A 77 7.855 -7.748 -8.178 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.323 -6.865 -7.980 1.00 0.25 H new ATOM 1130 N GLY A 78 5.577 -9.637 -4.174 1.00 0.19 N ATOM 1131 CA GLY A 78 5.621 -10.361 -2.921 1.00 0.21 C ATOM 1132 C GLY A 78 4.994 -11.732 -3.025 1.00 0.21 C ATOM 1133 O GLY A 78 5.563 -12.718 -2.562 1.00 0.27 O ATOM 0 H GLY A 78 4.968 -8.819 -4.174 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.658 -10.462 -2.599 1.00 0.21 H new ATOM 0 HA3 GLY A 78 5.104 -9.785 -2.154 1.00 0.21 H new ATOM 1137 N ARG A 79 3.835 -11.795 -3.658 1.00 0.21 N ATOM 1138 CA ARG A 79 3.125 -13.052 -3.848 1.00 0.28 C ATOM 1139 C ARG A 79 3.939 -13.970 -4.762 1.00 0.28 C ATOM 1140 O ARG A 79 3.808 -15.194 -4.730 1.00 0.33 O ATOM 1141 CB ARG A 79 1.746 -12.755 -4.437 1.00 0.39 C ATOM 1142 CG ARG A 79 0.782 -13.924 -4.420 1.00 0.81 C ATOM 1143 CD ARG A 79 -0.636 -13.448 -4.686 1.00 0.89 C ATOM 1144 NE ARG A 79 -1.590 -14.552 -4.782 1.00 1.57 N ATOM 1145 CZ ARG A 79 -2.528 -14.806 -3.869 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -2.584 -14.084 -2.760 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -3.394 -15.793 -4.056 1.00 2.63 N ATOM 0 H ARG A 79 3.361 -10.983 -4.053 1.00 0.21 H new ATOM 0 HA ARG A 79 2.994 -13.564 -2.895 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.301 -11.927 -3.884 1.00 0.39 H new ATOM 0 HB3 ARG A 79 1.871 -12.420 -5.467 1.00 0.39 H new ATOM 0 HG2 ARG A 79 1.074 -14.655 -5.174 1.00 0.81 H new ATOM 0 HG3 ARG A 79 0.828 -14.427 -3.454 1.00 0.81 H new ATOM 0 HD2 ARG A 79 -0.945 -12.774 -3.887 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.655 -12.874 -5.613 1.00 0.89 H new ATOM 0 HE ARG A 79 -1.535 -15.164 -5.596 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -1.910 -13.334 -2.605 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -3.301 -14.278 -2.061 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -3.344 -16.362 -4.901 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -4.110 -15.983 -3.355 1.00 2.63 H new ATOM 1161 N GLU A 80 4.789 -13.349 -5.563 1.00 0.27 N ATOM 1162 CA GLU A 80 5.722 -14.057 -6.424 1.00 0.32 C ATOM 1163 C GLU A 80 6.936 -14.532 -5.624 1.00 0.31 C ATOM 1164 O GLU A 80 7.365 -15.680 -5.730 1.00 0.37 O ATOM 1165 CB GLU A 80 6.175 -13.115 -7.544 1.00 0.36 C ATOM 1166 CG GLU A 80 7.136 -13.736 -8.537 1.00 0.57 C ATOM 1167 CD GLU A 80 6.643 -15.066 -9.071 1.00 1.18 C ATOM 1168 OE1 GLU A 80 5.610 -15.083 -9.775 1.00 1.22 O ATOM 1169 OE2 GLU A 80 7.297 -16.099 -8.807 1.00 1.96 O ATOM 0 H GLU A 80 4.851 -12.333 -5.635 1.00 0.27 H new ATOM 0 HA GLU A 80 5.228 -14.931 -6.848 1.00 0.32 H new ATOM 0 HB2 GLU A 80 5.295 -12.761 -8.082 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.649 -12.241 -7.097 1.00 0.36 H new ATOM 0 HG2 GLU A 80 7.288 -13.048 -9.369 1.00 0.57 H new ATOM 0 HG3 GLU A 80 8.105 -13.877 -8.059 1.00 0.57 H new ATOM 1176 N ASN A 81 7.462 -13.637 -4.807 1.00 0.29 N ATOM 1177 CA ASN A 81 8.708 -13.866 -4.088 1.00 0.35 C ATOM 1178 C ASN A 81 8.449 -14.295 -2.644 1.00 0.35 C ATOM 1179 O ASN A 81 9.240 -14.000 -1.748 1.00 0.49 O ATOM 1180 CB ASN A 81 9.567 -12.604 -4.140 1.00 0.40 C ATOM 1181 CG ASN A 81 11.024 -12.853 -3.788 1.00 0.55 C ATOM 1182 OD1 ASN A 81 11.553 -13.942 -4.010 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.683 -11.842 -3.248 1.00 1.13 N ATOM 0 H ASN A 81 7.038 -12.728 -4.621 1.00 0.29 H new ATOM 0 HA ASN A 81 9.245 -14.682 -4.572 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.510 -12.175 -5.141 1.00 0.40 H new ATOM 0 HB3 ASN A 81 9.156 -11.865 -3.453 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.666 -11.949 -2.999 1.00 1.13 H new ATOM 0 HD22 ASN A 81 11.208 -10.955 -3.080 1.00 1.13 H new ATOM 1190 N ARG A 82 7.297 -14.936 -2.430 1.00 0.32 N ATOM 1191 CA ARG A 82 6.927 -15.569 -1.151 1.00 0.37 C ATOM 1192 C ARG A 82 7.016 -14.605 0.036 1.00 0.32 C ATOM 1193 O ARG A 82 7.202 -15.016 1.184 1.00 0.38 O ATOM 1194 CB ARG A 82 7.711 -16.890 -0.920 1.00 0.47 C ATOM 1195 CG ARG A 82 9.236 -16.790 -0.854 1.00 1.04 C ATOM 1196 CD ARG A 82 9.702 -16.147 0.434 1.00 1.99 C ATOM 1197 NE ARG A 82 11.161 -16.088 0.545 1.00 2.83 N ATOM 1198 CZ ARG A 82 11.870 -14.960 0.503 1.00 3.77 C ATOM 1199 NH1 ARG A 82 11.279 -13.808 0.214 1.00 4.01 N ATOM 1200 NH2 ARG A 82 13.180 -14.994 0.715 1.00 4.67 N ATOM 0 H ARG A 82 6.580 -15.034 -3.149 1.00 0.32 H new ATOM 0 HA ARG A 82 5.873 -15.839 -1.224 1.00 0.37 H new ATOM 0 HB2 ARG A 82 7.360 -17.334 0.012 1.00 0.47 H new ATOM 0 HB3 ARG A 82 7.451 -17.583 -1.721 1.00 0.47 H new ATOM 0 HG2 ARG A 82 9.670 -17.786 -0.940 1.00 1.04 H new ATOM 0 HG3 ARG A 82 9.599 -16.210 -1.702 1.00 1.04 H new ATOM 0 HD2 ARG A 82 9.297 -15.137 0.498 1.00 1.99 H new ATOM 0 HD3 ARG A 82 9.300 -16.706 1.279 1.00 1.99 H new ATOM 0 HE ARG A 82 11.667 -16.966 0.662 1.00 2.83 H new ATOM 0 HH11 ARG A 82 10.277 -13.783 0.023 1.00 4.01 H new ATOM 0 HH12 ARG A 82 11.826 -12.948 0.183 1.00 4.01 H new ATOM 0 HH21 ARG A 82 13.642 -15.882 0.910 1.00 4.67 H new ATOM 0 HH22 ARG A 82 13.724 -14.132 0.683 1.00 4.67 H new ATOM 1214 N GLU A 83 6.811 -13.329 -0.245 1.00 0.27 N ATOM 1215 CA GLU A 83 6.910 -12.288 0.763 1.00 0.27 C ATOM 1216 C GLU A 83 5.685 -12.306 1.678 1.00 0.25 C ATOM 1217 O GLU A 83 4.663 -12.912 1.351 1.00 0.25 O ATOM 1218 CB GLU A 83 7.055 -10.924 0.080 1.00 0.28 C ATOM 1219 CG GLU A 83 7.392 -9.784 1.028 1.00 0.43 C ATOM 1220 CD GLU A 83 8.610 -10.075 1.881 1.00 0.94 C ATOM 1221 OE1 GLU A 83 9.731 -9.749 1.450 1.00 1.15 O ATOM 1222 OE2 GLU A 83 8.449 -10.629 2.986 1.00 1.60 O ATOM 0 H GLU A 83 6.572 -12.987 -1.176 1.00 0.27 H new ATOM 0 HA GLU A 83 7.791 -12.472 1.378 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.834 -10.992 -0.680 1.00 0.28 H new ATOM 0 HB3 GLU A 83 6.125 -10.689 -0.437 1.00 0.28 H new ATOM 0 HG2 GLU A 83 7.566 -8.876 0.451 1.00 0.43 H new ATOM 0 HG3 GLU A 83 6.537 -9.591 1.676 1.00 0.43 H new ATOM 1229 N ASP A 84 5.817 -11.646 2.822 1.00 0.26 N ATOM 1230 CA ASP A 84 4.766 -11.580 3.833 1.00 0.26 C ATOM 1231 C ASP A 84 3.425 -11.150 3.236 1.00 0.25 C ATOM 1232 O ASP A 84 3.295 -10.049 2.697 1.00 0.26 O ATOM 1233 CB ASP A 84 5.184 -10.604 4.933 1.00 0.29 C ATOM 1234 CG ASP A 84 4.242 -10.632 6.114 1.00 0.44 C ATOM 1235 OD1 ASP A 84 4.335 -11.568 6.935 1.00 0.82 O ATOM 1236 OD2 ASP A 84 3.406 -9.725 6.228 1.00 0.68 O ATOM 0 H ASP A 84 6.663 -11.137 3.077 1.00 0.26 H new ATOM 0 HA ASP A 84 4.633 -12.579 4.248 1.00 0.26 H new ATOM 0 HB2 ASP A 84 6.192 -10.849 5.269 1.00 0.29 H new ATOM 0 HB3 ASP A 84 5.221 -9.594 4.525 1.00 0.29 H new ATOM 1241 N TYR A 85 2.425 -12.024 3.337 1.00 0.26 N ATOM 1242 CA TYR A 85 1.105 -11.739 2.784 1.00 0.26 C ATOM 1243 C TYR A 85 0.322 -10.805 3.697 1.00 0.27 C ATOM 1244 O TYR A 85 -0.624 -10.151 3.266 1.00 0.26 O ATOM 1245 CB TYR A 85 0.310 -13.026 2.544 1.00 0.27 C ATOM 1246 CG TYR A 85 0.065 -13.849 3.789 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -0.810 -13.406 4.769 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.711 -15.065 3.986 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.036 -14.144 5.911 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.487 -15.811 5.123 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.384 -15.373 6.068 1.00 0.38 C ATOM 1252 OH TYR A 85 -0.604 -16.087 7.224 1.00 0.44 O ATOM 0 H TYR A 85 2.504 -12.932 3.795 1.00 0.26 H new ATOM 0 HA TYR A 85 1.255 -11.246 1.824 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -0.651 -12.768 2.099 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.844 -13.638 1.817 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.324 -12.466 4.635 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.398 -15.430 3.237 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -1.707 -13.779 6.674 1.00 0.37 H new ATOM 0 HE2 TYR A 85 1.006 -16.748 5.263 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.089 -16.920 7.197 1.00 0.44 H new ATOM 1262 N ARG A 86 0.710 -10.755 4.966 1.00 0.30 N ATOM 1263 CA ARG A 86 0.086 -9.840 5.907 1.00 0.33 C ATOM 1264 C ARG A 86 0.389 -8.413 5.474 1.00 0.32 C ATOM 1265 O ARG A 86 -0.461 -7.523 5.554 1.00 0.32 O ATOM 1266 CB ARG A 86 0.587 -10.098 7.324 1.00 0.40 C ATOM 1267 CG ARG A 86 0.258 -11.486 7.839 1.00 0.44 C ATOM 1268 CD ARG A 86 0.554 -11.588 9.318 1.00 0.55 C ATOM 1269 NE ARG A 86 0.228 -12.904 9.872 1.00 1.57 N ATOM 1270 CZ ARG A 86 0.672 -13.343 11.051 1.00 1.98 C ATOM 1271 NH1 ARG A 86 1.459 -12.575 11.797 1.00 1.57 N ATOM 1272 NH2 ARG A 86 0.323 -14.547 11.488 1.00 3.04 N ATOM 0 H ARG A 86 1.450 -11.335 5.363 1.00 0.30 H new ATOM 0 HA ARG A 86 -0.993 -9.997 5.910 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.667 -9.956 7.350 1.00 0.40 H new ATOM 0 HB3 ARG A 86 0.152 -9.358 7.995 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -0.794 -11.708 7.657 1.00 0.44 H new ATOM 0 HG3 ARG A 86 0.840 -12.229 7.294 1.00 0.44 H new ATOM 0 HD2 ARG A 86 1.610 -11.379 9.488 1.00 0.55 H new ATOM 0 HD3 ARG A 86 -0.012 -10.824 9.851 1.00 0.55 H new ATOM 0 HE ARG A 86 -0.373 -13.520 9.325 1.00 1.57 H new ATOM 0 HH11 ARG A 86 1.725 -11.647 11.469 1.00 1.57 H new ATOM 0 HH12 ARG A 86 1.797 -12.914 12.698 1.00 1.57 H new ATOM 0 HH21 ARG A 86 -0.286 -15.138 10.922 1.00 3.04 H new ATOM 0 HH22 ARG A 86 0.664 -14.881 12.390 1.00 3.04 H new ATOM 1286 N GLN A 87 1.613 -8.238 5.000 1.00 0.33 N ATOM 1287 CA GLN A 87 2.080 -7.003 4.392 1.00 0.33 C ATOM 1288 C GLN A 87 1.313 -6.737 3.093 1.00 0.28 C ATOM 1289 O GLN A 87 0.918 -5.607 2.809 1.00 0.28 O ATOM 1290 CB GLN A 87 3.585 -7.151 4.131 1.00 0.39 C ATOM 1291 CG GLN A 87 4.326 -5.874 3.782 1.00 0.49 C ATOM 1292 CD GLN A 87 4.003 -4.724 4.719 1.00 0.57 C ATOM 1293 OE1 GLN A 87 3.086 -3.940 4.474 1.00 1.14 O ATOM 1294 NE2 GLN A 87 4.752 -4.620 5.803 1.00 1.46 N ATOM 0 H GLN A 87 2.325 -8.968 5.028 1.00 0.33 H new ATOM 0 HA GLN A 87 1.905 -6.153 5.052 1.00 0.33 H new ATOM 0 HB2 GLN A 87 4.047 -7.585 5.018 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.725 -7.863 3.318 1.00 0.39 H new ATOM 0 HG2 GLN A 87 5.399 -6.065 3.807 1.00 0.49 H new ATOM 0 HG3 GLN A 87 4.077 -5.584 2.761 1.00 0.49 H new ATOM 0 HE21 GLN A 87 5.503 -5.290 5.970 1.00 1.46 H new ATOM 0 HE22 GLN A 87 4.579 -3.870 6.472 1.00 1.46 H new ATOM 1303 N ILE A 88 1.091 -7.802 2.323 1.00 0.25 N ATOM 1304 CA ILE A 88 0.289 -7.735 1.101 1.00 0.22 C ATOM 1305 C ILE A 88 -1.125 -7.247 1.394 1.00 0.20 C ATOM 1306 O ILE A 88 -1.685 -6.452 0.642 1.00 0.20 O ATOM 1307 CB ILE A 88 0.235 -9.111 0.393 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.484 -9.300 -0.451 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.004 -9.249 -0.472 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.604 -10.653 -1.100 1.00 0.23 C ATOM 0 H ILE A 88 1.460 -8.731 2.527 1.00 0.25 H new ATOM 0 HA ILE A 88 0.772 -7.019 0.436 1.00 0.22 H new ATOM 0 HB ILE A 88 0.189 -9.884 1.160 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.500 -8.536 -1.228 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.359 -9.134 0.177 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.006 -10.228 -0.952 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -1.894 -9.148 0.149 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.003 -8.471 -1.235 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.525 -10.697 -1.682 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.623 -11.425 -0.331 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.751 -10.818 -1.758 1.00 0.23 H new ATOM 1322 N ALA A 89 -1.697 -7.717 2.487 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.021 -7.282 2.891 1.00 0.21 C ATOM 1324 C ALA A 89 -3.026 -5.789 3.192 1.00 0.22 C ATOM 1325 O ALA A 89 -3.972 -5.079 2.857 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.485 -8.072 4.096 1.00 0.24 C ATOM 0 H ALA A 89 -1.266 -8.400 3.110 1.00 0.21 H new ATOM 0 HA ALA A 89 -3.713 -7.464 2.069 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.480 -7.737 4.390 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.519 -9.132 3.845 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -2.791 -7.917 4.922 1.00 0.24 H new ATOM 1332 N LYS A 90 -1.956 -5.304 3.805 1.00 0.24 N ATOM 1333 CA LYS A 90 -1.847 -3.884 4.088 1.00 0.27 C ATOM 1334 C LYS A 90 -1.648 -3.115 2.790 1.00 0.24 C ATOM 1335 O LYS A 90 -2.017 -1.947 2.685 1.00 0.26 O ATOM 1336 CB LYS A 90 -0.710 -3.601 5.072 1.00 0.33 C ATOM 1337 CG LYS A 90 -0.836 -4.366 6.386 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.250 -4.326 6.971 1.00 0.50 C ATOM 1339 CE LYS A 90 -2.600 -2.984 7.620 1.00 0.67 C ATOM 1340 NZ LYS A 90 -2.720 -1.864 6.646 1.00 1.26 N ATOM 0 H LYS A 90 -1.162 -5.866 4.112 1.00 0.24 H new ATOM 0 HA LYS A 90 -2.773 -3.551 4.557 1.00 0.27 H new ATOM 0 HB2 LYS A 90 0.239 -3.857 4.601 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -0.682 -2.532 5.284 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -0.545 -5.404 6.224 1.00 0.46 H new ATOM 0 HG3 LYS A 90 -0.137 -3.948 7.111 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -2.969 -4.537 6.180 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -2.351 -5.118 7.713 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -3.541 -3.086 8.161 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -1.835 -2.735 8.355 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -3.368 -1.144 7.023 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -1.784 -1.439 6.489 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -3.092 -2.226 5.745 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.074 -3.786 1.800 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.004 -3.243 0.454 1.00 0.22 C ATOM 1356 C ALA A 91 -2.405 -3.113 -0.118 1.00 0.19 C ATOM 1357 O ALA A 91 -2.794 -2.041 -0.568 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.137 -4.117 -0.440 1.00 0.22 C ATOM 0 H ALA A 91 -0.650 -4.708 1.906 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.545 -2.255 0.497 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -0.101 -3.689 -1.442 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.872 -4.169 -0.030 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.560 -5.120 -0.489 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.158 -4.209 -0.059 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.540 -4.242 -0.535 1.00 0.16 C ATOM 1366 C TYR A 92 -5.374 -3.140 0.082 1.00 0.16 C ATOM 1367 O TYR A 92 -6.163 -2.488 -0.605 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.188 -5.586 -0.219 1.00 0.15 C ATOM 1369 CG TYR A 92 -4.885 -6.668 -1.220 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.320 -6.568 -2.534 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.167 -7.786 -0.849 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -5.047 -7.564 -3.453 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -3.888 -8.784 -1.755 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.329 -8.671 -3.056 1.00 0.21 C ATOM 1375 OH TYR A 92 -4.053 -9.668 -3.963 1.00 0.24 O ATOM 0 H TYR A 92 -2.829 -5.097 0.319 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.505 -4.092 -1.614 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -4.855 -5.914 0.766 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.268 -5.451 -0.162 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.881 -5.698 -2.844 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -3.818 -7.880 0.169 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -5.393 -7.475 -4.472 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.325 -9.653 -1.447 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.538 -10.377 -3.524 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.199 -2.935 1.376 1.00 0.20 N ATOM 1386 CA ALA A 93 -5.945 -1.914 2.081 1.00 0.21 C ATOM 1387 C ALA A 93 -5.635 -0.536 1.518 1.00 0.23 C ATOM 1388 O ALA A 93 -6.526 0.297 1.379 1.00 0.26 O ATOM 1389 CB ALA A 93 -5.649 -1.969 3.564 1.00 0.25 C ATOM 0 H ALA A 93 -4.547 -3.463 1.957 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.009 -2.105 1.938 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.218 -1.194 4.078 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -5.931 -2.946 3.955 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.584 -1.806 3.729 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.373 -0.310 1.175 1.00 0.24 N ATOM 1396 CA ARG A 94 -3.973 0.946 0.559 1.00 0.27 C ATOM 1397 C ARG A 94 -4.592 1.081 -0.820 1.00 0.24 C ATOM 1398 O ARG A 94 -5.031 2.163 -1.197 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.452 1.057 0.454 1.00 0.34 C ATOM 1400 CG ARG A 94 -1.750 1.108 1.798 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.274 1.427 1.642 1.00 0.53 C ATOM 1402 NE ARG A 94 0.427 1.355 2.926 1.00 0.72 N ATOM 1403 CZ ARG A 94 1.274 0.381 3.268 1.00 0.69 C ATOM 1404 NH1 ARG A 94 1.533 -0.610 2.422 1.00 1.50 N ATOM 1405 NH2 ARG A 94 1.853 0.394 4.461 1.00 0.88 N ATOM 0 H ARG A 94 -3.614 -0.977 1.312 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.332 1.754 1.197 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -2.073 0.206 -0.112 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -2.200 1.954 -0.112 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -2.222 1.862 2.428 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -1.865 0.151 2.306 1.00 0.77 H new ATOM 0 HD2 ARG A 94 0.179 0.728 0.939 1.00 0.53 H new ATOM 0 HD3 ARG A 94 -0.159 2.425 1.218 1.00 0.53 H new ATOM 0 HE ARG A 94 0.257 2.098 3.604 1.00 0.72 H new ATOM 0 HH11 ARG A 94 1.084 -0.629 1.506 1.00 1.50 H new ATOM 0 HH12 ARG A 94 2.181 -1.352 2.688 1.00 1.50 H new ATOM 0 HH21 ARG A 94 1.651 1.148 5.118 1.00 0.88 H new ATOM 0 HH22 ARG A 94 2.500 -0.350 4.722 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.634 -0.017 -1.571 1.00 0.21 N ATOM 1420 CA ILE A 95 -5.226 -0.002 -2.905 1.00 0.21 C ATOM 1421 C ILE A 95 -6.694 0.348 -2.808 1.00 0.20 C ATOM 1422 O ILE A 95 -7.174 1.269 -3.470 1.00 0.24 O ATOM 1423 CB ILE A 95 -5.100 -1.357 -3.628 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.774 -2.016 -3.286 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.208 -1.150 -5.129 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.402 -3.168 -4.190 1.00 0.22 C ATOM 0 H ILE A 95 -4.267 -0.923 -1.280 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.678 0.744 -3.482 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.908 -2.010 -3.298 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -2.986 -1.265 -3.331 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -3.814 -2.375 -2.257 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.118 -2.111 -5.636 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.174 -0.703 -5.366 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -4.410 -0.487 -5.463 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.443 -3.581 -3.877 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -4.168 -3.941 -4.128 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.326 -2.814 -5.218 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.395 -0.386 -1.958 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.794 -0.128 -1.740 1.00 0.18 C ATOM 1440 C GLY A 96 -9.029 1.267 -1.213 1.00 0.20 C ATOM 1441 O GLY A 96 -10.004 1.914 -1.573 1.00 0.23 O ATOM 0 H GLY A 96 -7.013 -1.160 -1.414 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.338 -0.260 -2.675 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.193 -0.856 -1.033 1.00 0.18 H new ATOM 1445 N ASN A 97 -8.120 1.747 -0.376 1.00 0.20 N ATOM 1446 CA ASN A 97 -8.259 3.070 0.206 1.00 0.25 C ATOM 1447 C ASN A 97 -7.922 4.151 -0.817 1.00 0.25 C ATOM 1448 O ASN A 97 -8.418 5.267 -0.728 1.00 0.27 O ATOM 1449 CB ASN A 97 -7.391 3.215 1.457 1.00 0.31 C ATOM 1450 CG ASN A 97 -7.848 4.350 2.356 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -9.022 4.713 2.370 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -6.932 4.895 3.140 1.00 1.64 N ATOM 0 H ASN A 97 -7.283 1.241 -0.087 1.00 0.20 H new ATOM 0 HA ASN A 97 -9.300 3.197 0.504 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -7.411 2.281 2.019 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -6.357 3.386 1.159 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -7.191 5.643 3.784 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -5.967 4.568 3.101 1.00 1.64 H new ATOM 1459 N SER A 98 -7.088 3.812 -1.792 1.00 0.26 N ATOM 1460 CA SER A 98 -6.807 4.722 -2.896 1.00 0.29 C ATOM 1461 C SER A 98 -8.083 4.951 -3.691 1.00 0.29 C ATOM 1462 O SER A 98 -8.458 6.086 -3.983 1.00 0.32 O ATOM 1463 CB SER A 98 -5.716 4.145 -3.799 1.00 0.32 C ATOM 1464 OG SER A 98 -4.532 3.896 -3.063 1.00 0.94 O ATOM 0 H SER A 98 -6.597 2.919 -1.841 1.00 0.26 H new ATOM 0 HA SER A 98 -6.451 5.672 -2.498 1.00 0.29 H new ATOM 0 HB2 SER A 98 -6.067 3.219 -4.255 1.00 0.32 H new ATOM 0 HB3 SER A 98 -5.505 4.840 -4.611 1.00 0.32 H new ATOM 0 HG SER A 98 -4.683 3.153 -2.443 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.760 3.852 -3.999 1.00 0.28 N ATOM 1471 CA TYR A 99 -10.054 3.905 -4.655 1.00 0.29 C ATOM 1472 C TYR A 99 -11.067 4.613 -3.766 1.00 0.28 C ATOM 1473 O TYR A 99 -11.861 5.428 -4.228 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.539 2.493 -4.968 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.822 1.832 -6.115 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -10.110 2.187 -7.419 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -8.877 0.840 -5.895 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -9.486 1.577 -8.480 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -8.238 0.224 -6.949 1.00 0.32 C ATOM 1480 CZ TYR A 99 -8.548 0.594 -8.243 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.924 -0.018 -9.300 1.00 0.43 O ATOM 0 H TYR A 99 -8.429 2.908 -3.802 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.951 4.462 -5.586 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.422 1.875 -4.077 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.605 2.529 -5.193 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -10.840 2.960 -7.608 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.639 0.547 -4.883 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -9.728 1.865 -9.492 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.500 -0.543 -6.765 1.00 0.32 H new ATOM 0 HH TYR A 99 -7.291 -0.686 -8.964 1.00 0.43 H new ATOM 1491 N PHE A 100 -11.018 4.284 -2.484 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.868 4.890 -1.466 1.00 0.27 C ATOM 1493 C PHE A 100 -11.762 6.415 -1.514 1.00 0.32 C ATOM 1494 O PHE A 100 -12.770 7.122 -1.498 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.421 4.357 -0.104 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.310 4.682 1.063 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.385 3.870 1.388 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -12.094 5.828 1.804 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.222 4.197 2.437 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.930 6.165 2.848 1.00 0.43 C ATOM 1501 CZ PHE A 100 -13.911 5.216 3.267 1.00 0.37 C ATOM 0 H PHE A 100 -10.379 3.580 -2.115 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.912 4.632 -1.644 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.331 3.273 -0.174 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.425 4.747 0.106 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -13.570 2.973 0.816 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -11.259 6.469 1.562 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.130 3.635 2.594 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -12.845 7.124 3.337 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.394 5.311 4.228 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.538 6.915 -1.599 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.301 8.349 -1.672 1.00 0.38 C ATOM 1513 C LYS A 101 -10.750 8.912 -3.017 1.00 0.41 C ATOM 1514 O LYS A 101 -11.303 10.010 -3.085 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.820 8.659 -1.466 1.00 0.44 C ATOM 1516 CG LYS A 101 -8.274 8.217 -0.119 1.00 0.57 C ATOM 1517 CD LYS A 101 -8.915 8.949 1.042 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.534 10.406 1.011 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.005 11.149 2.210 1.00 0.74 N ATOM 0 H LYS A 101 -9.691 6.347 -1.619 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.884 8.819 -0.880 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.245 8.174 -2.255 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.666 9.733 -1.573 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -8.435 7.145 -0.001 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -7.197 8.382 -0.097 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -9.999 8.848 0.992 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -8.597 8.502 1.984 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -7.450 10.492 0.938 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -8.951 10.867 0.116 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -8.716 12.145 2.137 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -10.042 11.093 2.268 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -8.587 10.729 3.065 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.538 8.146 -4.081 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.778 8.634 -5.433 1.00 0.40 C ATOM 1535 C GLU A 102 -12.252 8.486 -5.821 1.00 0.39 C ATOM 1536 O GLU A 102 -12.654 8.846 -6.931 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.876 7.892 -6.414 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.494 6.646 -7.022 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.545 5.959 -7.982 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -8.661 5.211 -7.515 1.00 0.45 O ATOM 1541 OE2 GLU A 102 -9.693 6.135 -9.205 1.00 0.57 O ATOM 0 H GLU A 102 -10.200 7.185 -4.033 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.539 9.697 -5.469 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.598 8.573 -7.218 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -8.956 7.612 -5.901 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.772 5.953 -6.228 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -11.411 6.914 -7.547 1.00 0.38 H new ATOM 1548 N GLU A 103 -13.036 7.942 -4.887 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.485 7.779 -5.033 1.00 0.35 C ATOM 1550 C GLU A 103 -14.820 6.575 -5.924 1.00 0.35 C ATOM 1551 O GLU A 103 -15.881 6.507 -6.538 1.00 0.45 O ATOM 1552 CB GLU A 103 -15.141 9.072 -5.555 1.00 0.38 C ATOM 1553 CG GLU A 103 -16.651 9.126 -5.366 1.00 1.11 C ATOM 1554 CD GLU A 103 -17.244 10.450 -5.795 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -17.555 10.608 -6.993 1.00 1.47 O ATOM 1556 OE2 GLU A 103 -17.410 11.344 -4.937 1.00 1.31 O ATOM 0 H GLU A 103 -12.678 7.598 -3.996 1.00 0.36 H new ATOM 0 HA GLU A 103 -14.901 7.579 -4.045 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.692 9.925 -5.046 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -14.915 9.178 -6.616 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -17.114 8.322 -5.938 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -16.889 8.948 -4.317 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.899 5.624 -5.982 1.00 0.32 N ATOM 1564 CA LYS A 104 -14.144 4.344 -6.633 1.00 0.31 C ATOM 1565 C LYS A 104 -14.399 3.282 -5.577 1.00 0.28 C ATOM 1566 O LYS A 104 -13.617 2.349 -5.407 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.957 3.940 -7.501 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.950 4.601 -8.861 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.930 3.967 -9.790 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.932 4.623 -11.161 1.00 1.11 C ATOM 1571 NZ LYS A 104 -11.514 6.049 -11.098 1.00 1.89 N ATOM 0 H LYS A 104 -12.965 5.716 -5.582 1.00 0.32 H new ATOM 0 HA LYS A 104 -15.019 4.440 -7.276 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -12.034 4.191 -6.979 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -12.965 2.858 -7.632 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -13.942 4.528 -9.306 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -12.729 5.662 -8.748 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -10.936 4.049 -9.349 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -12.145 2.904 -9.895 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -11.261 4.078 -11.825 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -12.931 4.557 -11.593 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -10.810 6.238 -11.840 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -12.343 6.660 -11.243 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -11.096 6.247 -10.167 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.499 3.438 -4.871 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.795 2.595 -3.716 1.00 0.25 C ATOM 1587 C TYR A 105 -16.049 1.139 -4.098 1.00 0.26 C ATOM 1588 O TYR A 105 -15.773 0.239 -3.305 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.966 3.159 -2.907 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.650 4.510 -2.309 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.782 4.616 -1.232 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -17.191 5.677 -2.833 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.464 5.842 -0.689 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -16.871 6.910 -2.298 1.00 0.39 C ATOM 1595 CZ TYR A 105 -16.008 6.986 -1.226 1.00 0.38 C ATOM 1596 OH TYR A 105 -15.682 8.210 -0.692 1.00 0.46 O ATOM 0 H TYR A 105 -16.210 4.142 -5.072 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.904 2.605 -3.089 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.842 3.244 -3.550 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -17.223 2.462 -2.109 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -15.347 3.721 -0.811 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -17.871 5.620 -3.670 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.791 5.905 0.154 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.295 7.810 -2.718 1.00 0.39 H new ATOM 0 HH TYR A 105 -16.149 8.917 -1.185 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.545 0.896 -5.305 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.754 -0.476 -5.763 1.00 0.35 C ATOM 1608 C LYS A 106 -15.419 -1.206 -5.883 1.00 0.31 C ATOM 1609 O LYS A 106 -15.289 -2.362 -5.474 1.00 0.31 O ATOM 1610 CB LYS A 106 -17.501 -0.510 -7.098 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.963 -0.133 -6.973 1.00 0.56 C ATOM 1612 CD LYS A 106 -19.685 -0.212 -8.307 1.00 0.78 C ATOM 1613 CE LYS A 106 -21.183 0.007 -8.143 1.00 0.94 C ATOM 1614 NZ LYS A 106 -21.830 -1.093 -7.378 1.00 1.57 N ATOM 0 H LYS A 106 -16.807 1.617 -5.977 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.370 -0.986 -5.022 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -17.015 0.171 -7.796 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -17.425 -1.510 -7.524 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -19.449 -0.796 -6.258 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -19.044 0.879 -6.576 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -19.279 0.537 -8.987 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -19.506 -1.186 -8.762 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -21.356 0.954 -7.632 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -21.647 0.086 -9.126 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -22.861 -1.044 -7.504 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -21.482 -2.009 -7.726 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -21.599 -0.996 -6.369 1.00 1.57 H new ATOM 1628 N ASP A 107 -14.425 -0.515 -6.425 1.00 0.30 N ATOM 1629 CA ASP A 107 -13.084 -1.073 -6.539 1.00 0.29 C ATOM 1630 C ASP A 107 -12.383 -1.050 -5.185 1.00 0.23 C ATOM 1631 O ASP A 107 -11.523 -1.886 -4.903 1.00 0.21 O ATOM 1632 CB ASP A 107 -12.258 -0.303 -7.571 1.00 0.33 C ATOM 1633 CG ASP A 107 -12.603 -0.659 -9.004 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -11.988 -1.600 -9.551 1.00 0.67 O ATOM 1635 OD2 ASP A 107 -13.477 0.006 -9.597 1.00 0.64 O ATOM 0 H ASP A 107 -14.522 0.432 -6.792 1.00 0.30 H new ATOM 0 HA ASP A 107 -13.175 -2.106 -6.873 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -12.410 0.766 -7.423 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -11.200 -0.501 -7.400 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.766 -0.084 -4.353 1.00 0.22 N ATOM 1641 CA ALA A 108 -12.249 0.024 -2.992 1.00 0.18 C ATOM 1642 C ALA A 108 -12.523 -1.256 -2.220 1.00 0.16 C ATOM 1643 O ALA A 108 -11.607 -1.916 -1.729 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.883 1.212 -2.275 1.00 0.18 C ATOM 0 H ALA A 108 -13.439 0.641 -4.602 1.00 0.22 H new ATOM 0 HA ALA A 108 -11.171 0.180 -3.044 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.487 1.279 -1.262 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.652 2.129 -2.816 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.964 1.078 -2.234 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.798 -1.610 -2.152 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.250 -2.793 -1.433 1.00 0.18 C ATOM 1652 C ILE A 109 -13.642 -4.062 -2.019 1.00 0.19 C ATOM 1653 O ILE A 109 -13.367 -5.021 -1.292 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.791 -2.867 -1.474 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.364 -1.673 -0.728 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.302 -4.158 -0.865 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.683 -1.187 -1.273 1.00 0.51 C ATOM 0 H ILE A 109 -14.551 -1.083 -2.595 1.00 0.17 H new ATOM 0 HA ILE A 109 -13.919 -2.715 -0.397 1.00 0.18 H new ATOM 0 HB ILE A 109 -16.113 -2.847 -2.515 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.492 -1.940 0.321 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.644 -0.855 -0.763 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.391 -4.176 -0.911 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -15.901 -5.006 -1.421 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -15.982 -4.222 0.175 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -18.026 -0.334 -0.688 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.558 -0.887 -2.314 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.419 -1.988 -1.212 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.412 -4.048 -3.330 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.792 -5.174 -4.016 1.00 0.23 C ATOM 1671 C HIS A 110 -11.469 -5.539 -3.354 1.00 0.20 C ATOM 1672 O HIS A 110 -11.293 -6.650 -2.856 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.549 -4.828 -5.493 1.00 0.27 C ATOM 1674 CG HIS A 110 -11.894 -5.923 -6.289 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -12.597 -6.838 -7.036 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.586 -6.227 -6.465 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -11.750 -7.656 -7.635 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -10.520 -7.305 -7.308 1.00 0.40 N ATOM 0 H HIS A 110 -13.648 -3.264 -3.939 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.468 -6.027 -3.953 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.504 -4.580 -5.957 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -11.927 -3.935 -5.546 1.00 0.27 H new ATOM 0 HD1 HIS A 110 -13.613 -6.879 -7.115 1.00 0.40 H new ATOM 0 HD2 HIS A 110 -9.747 -5.713 -6.021 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -12.019 -8.476 -8.284 1.00 0.44 H new ATOM 1687 N PHE A 111 -10.548 -4.587 -3.340 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.216 -4.830 -2.810 1.00 0.17 C ATOM 1689 C PHE A 111 -9.227 -4.839 -1.285 1.00 0.16 C ATOM 1690 O PHE A 111 -8.325 -5.393 -0.659 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.230 -3.795 -3.351 1.00 0.17 C ATOM 1692 CG PHE A 111 -8.026 -3.905 -4.837 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -7.189 -4.877 -5.366 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.677 -3.044 -5.706 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -7.005 -4.985 -6.731 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.496 -3.149 -7.072 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.659 -4.118 -7.585 1.00 0.32 C ATOM 0 H PHE A 111 -10.699 -3.641 -3.689 1.00 0.18 H new ATOM 0 HA PHE A 111 -8.889 -5.816 -3.141 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.592 -2.795 -3.112 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.271 -3.916 -2.847 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.675 -5.557 -4.703 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.333 -2.282 -5.311 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -6.351 -5.746 -7.130 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -9.010 -2.472 -7.738 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.515 -4.199 -8.652 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.249 -4.237 -0.685 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.444 -4.356 0.755 1.00 0.17 C ATOM 1709 C TYR A 112 -10.652 -5.817 1.130 1.00 0.20 C ATOM 1710 O TYR A 112 -9.920 -6.366 1.945 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.644 -3.538 1.238 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.391 -2.060 1.421 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.129 -1.602 1.775 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.392 -1.120 1.204 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -9.875 -0.257 1.917 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.141 0.227 1.337 1.00 0.23 C ATOM 1717 CZ TYR A 112 -10.972 0.652 1.823 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.631 1.996 1.818 1.00 0.32 O ATOM 0 H TYR A 112 -10.946 -3.669 -1.166 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.549 -3.965 1.239 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.459 -3.664 0.525 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -11.985 -3.951 2.187 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.333 -2.313 1.942 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.382 -1.452 0.927 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -8.872 0.102 2.095 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -12.894 0.944 1.047 1.00 0.23 H new ATOM 0 HH TYR A 112 -11.446 2.540 1.809 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.648 -6.447 0.514 1.00 0.22 N ATOM 1729 CA ASN A 113 -11.947 -7.855 0.758 1.00 0.28 C ATOM 1730 C ASN A 113 -10.761 -8.739 0.370 1.00 0.27 C ATOM 1731 O ASN A 113 -10.591 -9.837 0.895 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.193 -8.255 -0.030 1.00 0.34 C ATOM 1733 CG ASN A 113 -13.654 -9.664 0.272 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -13.302 -10.612 -0.428 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -14.447 -9.805 1.317 1.00 1.23 N ATOM 0 H ASN A 113 -12.266 -6.000 -0.163 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.134 -7.996 1.822 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -14.000 -7.558 0.197 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -12.986 -8.167 -1.097 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -14.794 -10.729 1.573 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -14.713 -8.990 1.869 1.00 1.23 H new ATOM 1742 N LYS A 114 -9.945 -8.243 -0.547 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.708 -8.910 -0.937 1.00 0.24 C ATOM 1744 C LYS A 114 -7.684 -8.860 0.192 1.00 0.21 C ATOM 1745 O LYS A 114 -6.842 -9.743 0.322 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.143 -8.241 -2.165 1.00 0.26 C ATOM 1747 CG LYS A 114 -8.931 -8.512 -3.416 1.00 0.34 C ATOM 1748 CD LYS A 114 -8.166 -9.473 -4.283 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.868 -9.727 -5.586 1.00 0.48 C ATOM 1750 NZ LYS A 114 -10.035 -10.635 -5.425 1.00 1.25 N ATOM 0 H LYS A 114 -10.119 -7.368 -1.042 1.00 0.25 H new ATOM 0 HA LYS A 114 -8.930 -9.955 -1.154 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -8.104 -7.165 -1.996 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.117 -8.578 -2.312 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -9.906 -8.929 -3.163 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -9.112 -7.582 -3.955 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -7.171 -9.074 -4.478 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -8.033 -10.415 -3.752 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -9.202 -8.779 -6.008 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -8.166 -10.162 -6.297 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -10.490 -10.783 -6.349 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -9.714 -11.549 -5.047 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -10.718 -10.209 -4.767 1.00 1.25 H new ATOM 1764 N SER A 115 -7.752 -7.812 0.998 1.00 0.20 N ATOM 1765 CA SER A 115 -6.918 -7.720 2.180 1.00 0.21 C ATOM 1766 C SER A 115 -7.428 -8.706 3.220 1.00 0.25 C ATOM 1767 O SER A 115 -6.646 -9.418 3.846 1.00 0.28 O ATOM 1768 CB SER A 115 -6.928 -6.298 2.744 1.00 0.23 C ATOM 1769 OG SER A 115 -6.101 -6.188 3.885 1.00 1.04 O ATOM 0 H SER A 115 -8.375 -7.017 0.854 1.00 0.20 H new ATOM 0 HA SER A 115 -5.889 -7.964 1.914 1.00 0.21 H new ATOM 0 HB2 SER A 115 -6.589 -5.600 1.979 1.00 0.23 H new ATOM 0 HB3 SER A 115 -7.948 -6.016 3.004 1.00 0.23 H new ATOM 0 HG SER A 115 -5.398 -5.527 3.717 1.00 1.04 H new ATOM 1775 N LEU A 116 -8.754 -8.761 3.374 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.391 -9.758 4.232 1.00 0.31 C ATOM 1777 C LEU A 116 -9.017 -11.161 3.759 1.00 0.33 C ATOM 1778 O LEU A 116 -8.957 -12.104 4.548 1.00 0.38 O ATOM 1779 CB LEU A 116 -10.925 -9.612 4.232 1.00 0.34 C ATOM 1780 CG LEU A 116 -11.522 -8.486 5.097 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -10.861 -8.435 6.458 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.427 -7.134 4.413 1.00 0.35 C ATOM 0 H LEU A 116 -9.406 -8.125 2.914 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.034 -9.597 5.249 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.250 -9.457 3.203 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.355 -10.557 4.563 1.00 0.34 H new ATOM 0 HG LEU A 116 -12.579 -8.716 5.232 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.302 -7.631 7.047 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.011 -9.385 6.971 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -9.793 -8.252 6.337 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -11.860 -6.369 5.058 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.381 -6.897 4.220 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -11.972 -7.164 3.470 1.00 0.35 H new ATOM 1794 N ALA A 117 -8.770 -11.273 2.460 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.371 -12.523 1.839 1.00 0.33 C ATOM 1796 C ALA A 117 -7.002 -12.977 2.340 1.00 0.33 C ATOM 1797 O ALA A 117 -6.841 -14.110 2.799 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.360 -12.355 0.322 1.00 0.32 C ATOM 0 H ALA A 117 -8.842 -10.493 1.807 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.091 -13.295 2.111 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.061 -13.293 -0.146 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.358 -12.081 -0.021 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -7.654 -11.571 0.048 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.022 -12.085 2.269 1.00 0.29 N ATOM 1805 CA GLU A 118 -4.652 -12.423 2.641 1.00 0.30 C ATOM 1806 C GLU A 118 -4.444 -12.362 4.147 1.00 0.32 C ATOM 1807 O GLU A 118 -3.944 -13.307 4.752 1.00 0.36 O ATOM 1808 CB GLU A 118 -3.668 -11.479 1.953 1.00 0.27 C ATOM 1809 CG GLU A 118 -3.689 -11.576 0.438 1.00 0.30 C ATOM 1810 CD GLU A 118 -3.593 -13.001 -0.061 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -2.684 -13.730 0.387 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -4.431 -13.411 -0.887 1.00 0.53 O ATOM 0 H GLU A 118 -6.149 -11.122 1.957 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.470 -13.447 2.314 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -3.896 -10.454 2.246 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -2.661 -11.696 2.308 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.608 -11.126 0.063 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -2.861 -10.997 0.030 1.00 0.30 H new ATOM 1819 N HIS A 119 -4.846 -11.262 4.754 1.00 0.32 N ATOM 1820 CA HIS A 119 -4.647 -11.062 6.180 1.00 0.36 C ATOM 1821 C HIS A 119 -5.837 -10.311 6.756 1.00 0.37 C ATOM 1822 O HIS A 119 -5.921 -9.084 6.680 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.306 -10.337 6.418 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.096 -9.722 7.778 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.211 -8.681 8.002 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -3.618 -10.024 8.984 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.198 -8.386 9.289 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -3.042 -9.186 9.905 1.00 0.50 N ATOM 0 H HIS A 119 -5.314 -10.489 4.281 1.00 0.32 H new ATOM 0 HA HIS A 119 -4.589 -12.019 6.699 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -2.499 -11.048 6.239 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.209 -9.549 5.671 1.00 0.35 H new ATOM 0 HD1 HIS A 119 -1.656 -8.215 7.285 1.00 0.42 H new ATOM 0 HD2 HIS A 119 -4.355 -10.787 9.188 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -1.598 -7.619 9.756 1.00 0.48 H new ATOM 1837 N ARG A 120 -6.751 -11.080 7.326 1.00 0.41 N ATOM 1838 CA ARG A 120 -7.981 -10.552 7.888 1.00 0.43 C ATOM 1839 C ARG A 120 -7.695 -9.567 9.012 1.00 0.46 C ATOM 1840 O ARG A 120 -7.182 -9.936 10.069 1.00 0.53 O ATOM 1841 CB ARG A 120 -8.850 -11.708 8.378 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.117 -11.279 9.093 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.204 -12.328 8.943 1.00 0.62 C ATOM 1844 NE ARG A 120 -10.743 -13.667 9.310 1.00 1.38 N ATOM 1845 CZ ARG A 120 -10.962 -14.758 8.570 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -11.637 -14.674 7.432 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -10.511 -15.934 8.976 1.00 2.87 N ATOM 0 H ARG A 120 -6.659 -12.092 7.412 1.00 0.41 H new ATOM 0 HA ARG A 120 -8.518 -10.006 7.113 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.121 -12.330 7.525 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -8.260 -12.330 9.051 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -9.906 -11.117 10.150 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -10.464 -10.329 8.688 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -12.055 -12.056 9.567 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -11.555 -12.338 7.911 1.00 0.62 H new ATOM 0 HE ARG A 120 -10.224 -13.774 10.182 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -11.993 -13.772 7.116 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -11.800 -15.511 6.873 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -9.996 -16.008 9.854 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -10.678 -16.767 8.411 1.00 2.87 H new ATOM 1861 N THR A 121 -8.012 -8.309 8.760 1.00 0.45 N ATOM 1862 CA THR A 121 -7.791 -7.255 9.727 1.00 0.50 C ATOM 1863 C THR A 121 -9.050 -6.430 9.928 1.00 0.49 C ATOM 1864 O THR A 121 -9.738 -6.056 8.974 1.00 0.47 O ATOM 1865 CB THR A 121 -6.646 -6.331 9.289 1.00 0.53 C ATOM 1866 OG1 THR A 121 -6.803 -5.979 7.911 1.00 0.52 O ATOM 1867 CG2 THR A 121 -5.300 -6.990 9.496 1.00 0.62 C ATOM 0 H THR A 121 -8.427 -7.993 7.884 1.00 0.45 H new ATOM 0 HA THR A 121 -7.521 -7.733 10.668 1.00 0.50 H new ATOM 0 HB THR A 121 -6.685 -5.432 9.904 1.00 0.53 H new ATOM 0 HG1 THR A 121 -6.022 -5.468 7.613 1.00 0.52 H new ATOM 0 HG21 THR A 121 -4.509 -6.311 9.177 1.00 0.62 H new ATOM 0 HG22 THR A 121 -5.170 -7.228 10.552 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.250 -7.907 8.909 1.00 0.62 H new ATOM 1875 N PRO A 122 -9.358 -6.168 11.202 1.00 0.56 N ATOM 1876 CA PRO A 122 -10.524 -5.391 11.637 1.00 0.56 C ATOM 1877 C PRO A 122 -10.649 -4.036 10.948 1.00 0.51 C ATOM 1878 O PRO A 122 -11.755 -3.547 10.738 1.00 0.50 O ATOM 1879 CB PRO A 122 -10.272 -5.186 13.137 1.00 0.65 C ATOM 1880 CG PRO A 122 -8.842 -5.551 13.331 1.00 0.76 C ATOM 1881 CD PRO A 122 -8.589 -6.636 12.356 1.00 0.69 C ATOM 0 HA PRO A 122 -11.451 -5.911 11.395 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -10.461 -4.154 13.433 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -10.927 -5.816 13.739 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -8.189 -4.697 13.150 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -8.655 -5.885 14.351 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -7.529 -6.744 12.127 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -8.938 -7.603 12.718 1.00 0.69 H new ATOM 1889 N ASP A 123 -9.515 -3.432 10.605 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.503 -2.101 9.999 1.00 0.48 C ATOM 1891 C ASP A 123 -9.949 -2.137 8.557 1.00 0.40 C ATOM 1892 O ASP A 123 -10.789 -1.343 8.166 1.00 0.40 O ATOM 1893 CB ASP A 123 -8.120 -1.478 10.115 1.00 0.55 C ATOM 1894 CG ASP A 123 -8.023 -0.127 9.432 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -8.596 0.853 9.953 1.00 2.20 O ATOM 1896 OD2 ASP A 123 -7.383 -0.045 8.364 1.00 2.06 O ATOM 0 H ASP A 123 -8.590 -3.842 10.736 1.00 0.50 H new ATOM 0 HA ASP A 123 -10.216 -1.484 10.546 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -7.864 -1.366 11.169 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -7.385 -2.154 9.679 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.421 -3.057 7.761 1.00 0.35 N ATOM 1902 CA VAL A 124 -9.864 -3.156 6.378 1.00 0.29 C ATOM 1903 C VAL A 124 -11.309 -3.622 6.338 1.00 0.28 C ATOM 1904 O VAL A 124 -12.062 -3.254 5.449 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.016 -4.114 5.528 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.388 -3.967 4.062 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -7.533 -3.870 5.727 1.00 0.31 C ATOM 0 H VAL A 124 -8.705 -3.728 8.039 1.00 0.35 H new ATOM 0 HA VAL A 124 -9.754 -2.160 5.950 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.226 -5.133 5.852 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -8.784 -4.649 3.463 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.443 -4.205 3.929 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.204 -2.942 3.741 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -6.964 -4.566 5.110 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.291 -2.847 5.438 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.277 -4.022 6.776 1.00 0.31 H new ATOM 1917 N LEU A 125 -11.687 -4.432 7.313 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.074 -4.845 7.462 1.00 0.38 C ATOM 1919 C LEU A 125 -13.931 -3.621 7.789 1.00 0.38 C ATOM 1920 O LEU A 125 -14.976 -3.390 7.177 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.177 -5.906 8.562 1.00 0.45 C ATOM 1922 CG LEU A 125 -14.505 -6.662 8.647 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.291 -8.022 9.290 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -15.528 -5.871 9.443 1.00 0.54 C ATOM 0 H LEU A 125 -11.053 -4.817 8.014 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.439 -5.283 6.533 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.378 -6.632 8.414 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -12.995 -5.423 9.522 1.00 0.45 H new ATOM 0 HG LEU A 125 -14.885 -6.798 7.635 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.242 -8.552 9.346 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -13.588 -8.601 8.691 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -13.890 -7.890 10.295 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -16.463 -6.429 9.489 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.154 -5.705 10.453 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -15.702 -4.910 8.959 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.448 -2.825 8.737 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.110 -1.593 9.145 1.00 0.42 C ATOM 1938 C LYS A 126 -14.182 -0.614 7.968 1.00 0.39 C ATOM 1939 O LYS A 126 -15.170 0.100 7.784 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.351 -0.994 10.351 1.00 0.48 C ATOM 1941 CG LYS A 126 -12.711 0.370 10.126 1.00 0.58 C ATOM 1942 CD LYS A 126 -11.980 0.841 11.376 1.00 0.72 C ATOM 1943 CE LYS A 126 -11.524 2.289 11.266 1.00 1.37 C ATOM 1944 NZ LYS A 126 -10.594 2.508 10.127 1.00 2.04 N ATOM 0 H LYS A 126 -12.584 -3.017 9.245 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.136 -1.799 9.451 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -14.044 -0.914 11.188 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.571 -1.695 10.649 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -12.013 0.315 9.291 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -13.478 1.095 9.853 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -12.636 0.733 12.240 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -11.115 0.202 11.551 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -12.395 2.933 11.148 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -11.033 2.583 12.194 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -9.940 3.284 10.357 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -10.051 1.639 9.950 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -11.139 2.755 9.276 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.133 -0.629 7.163 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.012 0.224 5.993 1.00 0.31 C ATOM 1960 C LYS A 127 -13.862 -0.293 4.837 1.00 0.27 C ATOM 1961 O LYS A 127 -14.432 0.487 4.074 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.541 0.282 5.591 1.00 0.31 C ATOM 1963 CG LYS A 127 -10.698 1.153 6.513 1.00 0.52 C ATOM 1964 CD LYS A 127 -10.927 2.639 6.271 1.00 0.55 C ATOM 1965 CE LYS A 127 -10.451 3.060 4.889 1.00 0.82 C ATOM 1966 NZ LYS A 127 -10.463 4.535 4.715 1.00 1.48 N ATOM 0 H LYS A 127 -12.331 -1.242 7.306 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.376 1.222 6.236 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.133 -0.729 5.585 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.465 0.663 4.573 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -10.934 0.915 7.550 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -9.643 0.921 6.365 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -11.988 2.866 6.376 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.400 3.217 7.030 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -9.441 2.685 4.725 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -11.088 2.602 4.132 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -9.773 4.804 3.985 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -11.413 4.843 4.424 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -10.211 4.993 5.614 1.00 1.48 H new ATOM 1980 N CYS A 128 -13.950 -1.608 4.727 1.00 0.27 N ATOM 1981 CA CYS A 128 -14.690 -2.247 3.653 1.00 0.26 C ATOM 1982 C CYS A 128 -16.181 -1.983 3.800 1.00 0.29 C ATOM 1983 O CYS A 128 -16.857 -1.638 2.831 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.407 -3.754 3.641 1.00 0.26 C ATOM 1985 SG CYS A 128 -15.087 -4.630 2.215 1.00 0.91 S ATOM 0 H CYS A 128 -13.512 -2.260 5.377 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.362 -1.824 2.704 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.328 -3.909 3.667 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -14.814 -4.195 4.551 1.00 0.26 H new ATOM 0 HG CYS A 128 -14.791 -5.893 2.300 1.00 0.91 H new ATOM 1991 N GLN A 129 -16.689 -2.132 5.020 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.093 -1.860 5.288 1.00 0.36 C ATOM 1993 C GLN A 129 -18.384 -0.370 5.172 1.00 0.32 C ATOM 1994 O GLN A 129 -19.510 0.033 4.885 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.502 -2.359 6.670 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.436 -3.869 6.807 1.00 0.50 C ATOM 1997 CD GLN A 129 -18.914 -4.354 8.163 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -18.464 -5.380 8.665 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -19.837 -3.620 8.765 1.00 1.10 N ATOM 0 H GLN A 129 -16.152 -2.437 5.832 1.00 0.32 H new ATOM 0 HA GLN A 129 -18.678 -2.397 4.541 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -17.854 -1.905 7.419 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.518 -2.026 6.883 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -19.043 -4.328 6.027 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.410 -4.200 6.648 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -20.187 -2.773 8.317 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -20.198 -3.901 9.677 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.358 0.447 5.392 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.507 1.889 5.285 1.00 0.30 C ATOM 2010 C GLN A 130 -17.767 2.288 3.838 1.00 0.26 C ATOM 2011 O GLN A 130 -18.649 3.088 3.561 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.261 2.615 5.796 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.475 4.107 5.989 1.00 0.41 C ATOM 2014 CD GLN A 130 -15.230 4.831 6.464 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -15.033 6.011 6.165 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -14.388 4.139 7.212 1.00 1.65 N ATOM 0 H GLN A 130 -16.420 0.134 5.644 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.357 2.180 5.902 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -15.954 2.173 6.744 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.443 2.460 5.092 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -16.806 4.545 5.047 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -17.276 4.262 6.712 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -14.588 3.164 7.437 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -13.538 4.580 7.565 1.00 1.65 H new ATOM 2025 N ALA A 131 -17.012 1.715 2.916 1.00 0.23 N ATOM 2026 CA ALA A 131 -17.129 2.087 1.513 1.00 0.21 C ATOM 2027 C ALA A 131 -18.475 1.688 0.923 1.00 0.23 C ATOM 2028 O ALA A 131 -19.061 2.449 0.157 1.00 0.29 O ATOM 2029 CB ALA A 131 -16.003 1.487 0.701 1.00 0.20 C ATOM 0 H ALA A 131 -16.316 0.995 3.110 1.00 0.23 H new ATOM 0 HA ALA A 131 -17.059 3.174 1.466 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -16.112 1.779 -0.344 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -15.048 1.849 1.081 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -16.037 0.400 0.779 1.00 0.20 H new ATOM 2035 N GLU A 132 -18.973 0.507 1.279 1.00 0.26 N ATOM 2036 CA GLU A 132 -20.246 0.045 0.733 1.00 0.35 C ATOM 2037 C GLU A 132 -21.407 0.883 1.255 1.00 0.35 C ATOM 2038 O GLU A 132 -22.367 1.136 0.527 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.484 -1.445 1.011 1.00 0.48 C ATOM 2040 CG GLU A 132 -20.139 -1.886 2.417 1.00 1.02 C ATOM 2041 CD GLU A 132 -20.746 -3.228 2.771 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -20.357 -4.243 2.159 1.00 2.04 O ATOM 2043 OE2 GLU A 132 -21.612 -3.276 3.670 1.00 1.41 O ATOM 0 H GLU A 132 -18.525 -0.137 1.931 1.00 0.26 H new ATOM 0 HA GLU A 132 -20.192 0.171 -0.348 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -21.532 -1.674 0.819 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -19.895 -2.031 0.306 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -19.055 -1.943 2.521 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.488 -1.135 3.126 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.325 1.323 2.504 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.354 2.198 3.046 1.00 0.36 C ATOM 2052 C LYS A 133 -22.198 3.603 2.471 1.00 0.37 C ATOM 2053 O LYS A 133 -23.187 4.256 2.150 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.320 2.234 4.579 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.060 2.849 5.162 1.00 0.36 C ATOM 2056 CD LYS A 133 -21.074 2.853 6.678 1.00 0.66 C ATOM 2057 CE LYS A 133 -22.217 3.697 7.231 1.00 1.04 C ATOM 2058 NZ LYS A 133 -22.132 5.119 6.795 1.00 1.90 N ATOM 0 H LYS A 133 -20.570 1.093 3.151 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.325 1.798 2.754 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.183 2.795 4.937 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.422 1.217 4.957 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.190 2.294 4.810 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -20.955 3.871 4.798 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -21.167 1.830 7.043 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -20.125 3.239 7.049 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -23.168 3.275 6.905 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -22.205 3.652 8.320 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -22.710 5.711 7.426 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -21.142 5.435 6.834 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -22.485 5.205 5.821 1.00 1.90 H new ATOM 2072 N ILE A 134 -20.949 4.048 2.327 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.651 5.344 1.728 1.00 0.34 C ATOM 2074 C ILE A 134 -21.199 5.421 0.313 1.00 0.39 C ATOM 2075 O ILE A 134 -21.899 6.365 -0.040 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.130 5.629 1.697 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -18.625 6.012 3.080 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -18.804 6.732 0.717 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.142 6.304 3.123 1.00 0.33 C ATOM 0 H ILE A 134 -20.124 3.524 2.620 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.132 6.098 2.351 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.631 4.715 1.375 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.170 6.890 3.426 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -18.848 5.203 3.776 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -17.729 6.911 0.716 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -19.124 6.437 -0.282 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.324 7.644 1.010 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -16.853 6.570 4.140 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.588 5.420 2.808 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -16.915 7.133 2.453 1.00 0.33 H new ATOM 2091 N LEU A 135 -20.885 4.416 -0.487 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.327 4.384 -1.867 1.00 0.48 C ATOM 2093 C LEU A 135 -22.848 4.341 -1.933 1.00 0.58 C ATOM 2094 O LEU A 135 -23.458 4.983 -2.784 1.00 0.71 O ATOM 2095 CB LEU A 135 -20.725 3.191 -2.597 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.905 3.234 -4.108 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -20.167 4.421 -4.711 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -20.443 1.933 -4.736 1.00 1.37 C ATOM 0 H LEU A 135 -20.325 3.612 -0.203 1.00 0.38 H new ATOM 0 HA LEU A 135 -20.984 5.293 -2.361 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -19.660 3.139 -2.370 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -21.178 2.277 -2.213 1.00 0.51 H new ATOM 0 HG LEU A 135 -21.967 3.358 -4.321 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -20.312 4.429 -5.791 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -20.557 5.346 -4.286 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -19.103 4.340 -4.488 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -20.579 1.982 -5.816 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -19.389 1.774 -4.510 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -21.029 1.107 -4.334 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.454 3.611 -1.003 1.00 0.58 N ATOM 2111 CA LYS A 136 -24.906 3.547 -0.898 1.00 0.72 C ATOM 2112 C LYS A 136 -25.479 4.930 -0.588 1.00 0.77 C ATOM 2113 O LYS A 136 -26.559 5.288 -1.056 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.307 2.549 0.187 1.00 0.79 C ATOM 2115 CG LYS A 136 -26.808 2.351 0.333 1.00 1.26 C ATOM 2116 CD LYS A 136 -27.406 1.674 -0.890 1.00 1.73 C ATOM 2117 CE LYS A 136 -28.895 1.415 -0.714 1.00 2.54 C ATOM 2118 NZ LYS A 136 -29.178 0.571 0.480 1.00 3.36 N ATOM 0 H LYS A 136 -22.958 3.053 -0.308 1.00 0.58 H new ATOM 0 HA LYS A 136 -25.313 3.212 -1.852 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -24.845 1.586 -0.033 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -24.902 2.886 1.141 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -27.011 1.749 1.219 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -27.290 3.317 0.487 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -27.246 2.300 -1.768 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -26.891 0.731 -1.073 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -29.419 2.366 -0.618 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -29.285 0.924 -1.606 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -30.140 0.181 0.410 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -28.491 -0.208 0.525 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -29.101 1.150 1.340 1.00 3.36 H new ATOM 2132 N GLU A 137 -24.739 5.702 0.202 1.00 0.70 N ATOM 2133 CA GLU A 137 -25.133 7.065 0.538 1.00 0.82 C ATOM 2134 C GLU A 137 -24.922 7.996 -0.653 1.00 0.87 C ATOM 2135 O GLU A 137 -25.599 9.015 -0.786 1.00 1.03 O ATOM 2136 CB GLU A 137 -24.338 7.573 1.746 1.00 0.82 C ATOM 2137 CG GLU A 137 -24.625 6.803 3.022 1.00 1.02 C ATOM 2138 CD GLU A 137 -23.734 7.211 4.179 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -24.038 8.222 4.852 1.00 2.01 O ATOM 2140 OE2 GLU A 137 -22.709 6.541 4.412 1.00 2.28 O ATOM 0 H GLU A 137 -23.859 5.404 0.623 1.00 0.70 H new ATOM 0 HA GLU A 137 -26.193 7.057 0.792 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -23.273 7.509 1.524 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -24.568 8.626 1.906 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -25.667 6.954 3.303 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -24.498 5.737 2.832 1.00 1.02 H new ATOM 2147 N GLN A 138 -23.983 7.638 -1.519 1.00 0.80 N ATOM 2148 CA GLN A 138 -23.670 8.448 -2.690 1.00 0.89 C ATOM 2149 C GLN A 138 -24.656 8.188 -3.825 1.00 1.04 C ATOM 2150 O GLN A 138 -24.783 8.995 -4.746 1.00 1.19 O ATOM 2151 CB GLN A 138 -22.247 8.167 -3.159 1.00 0.87 C ATOM 2152 CG GLN A 138 -21.214 8.511 -2.108 1.00 0.80 C ATOM 2153 CD GLN A 138 -21.123 9.999 -1.836 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -21.344 10.823 -2.724 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -20.808 10.353 -0.602 1.00 1.60 N ATOM 0 H GLN A 138 -23.423 6.790 -1.433 1.00 0.80 H new ATOM 0 HA GLN A 138 -23.754 9.496 -2.404 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -22.156 7.113 -3.423 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -22.046 8.741 -4.064 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -21.459 7.992 -1.181 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -20.239 8.145 -2.430 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -20.633 9.639 0.104 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -20.740 11.341 -0.356 1.00 1.60 H new ATOM 2164 N GLU A 139 -25.340 7.055 -3.761 1.00 1.14 N ATOM 2165 CA GLU A 139 -26.325 6.701 -4.771 1.00 1.35 C ATOM 2166 C GLU A 139 -27.647 7.407 -4.500 1.00 1.86 C ATOM 2167 O GLU A 139 -28.025 8.292 -5.294 1.00 2.30 O ATOM 2168 CB GLU A 139 -26.534 5.184 -4.818 1.00 1.47 C ATOM 2169 CG GLU A 139 -25.292 4.410 -5.223 1.00 1.46 C ATOM 2170 CD GLU A 139 -25.580 2.950 -5.502 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -26.011 2.620 -6.626 1.00 1.94 O ATOM 2172 OE2 GLU A 139 -25.376 2.121 -4.590 1.00 2.99 O ATOM 2173 OXT GLU A 139 -28.298 7.089 -3.484 1.00 2.51 O ATOM 0 H GLU A 139 -25.230 6.364 -3.019 1.00 1.14 H new ATOM 0 HA GLU A 139 -25.948 7.027 -5.740 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -26.862 4.841 -3.837 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -27.337 4.958 -5.519 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -24.858 4.867 -6.112 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -24.548 4.484 -4.430 1.00 1.46 H new TER 2180 GLU A 139