USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 637 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 37 GLN : amide:sc= 0.19 K(o=0.74,f=-7.3!) USER MOD Set 1.2: A 51 TYR OH : rot 117:sc= 0.0362 USER MOD Set 1.3: A 58 SER OG : rot -90:sc= 0.516 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.099 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0254) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.442 X(o=-0.44,f=-0.64) USER MOD Single : A 13 THR OG1 : rot -81:sc= 1.03 USER MOD Single : A 14 SER OG : rot 29:sc= 1.14 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.806 USER MOD Single : A 25 ASN : amide:sc= -0.0618 X(o=-0.062,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.274 X(o=-0.27,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -98:sc= -0.116 (180deg=-1.35!) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.571 F(o=-1.5,f=-0.57) USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= -0.046 (180deg=-0.34) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.0176 F(o=-0.91,f=-0.018) USER MOD Single : A 47 SER OG : rot 47:sc= 0.255 USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= -0.023 (180deg=-0.252) USER MOD Single : A 54 ASN : amide:sc= -0.896 X(o=-0.9,f=-0.63) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.344 K(o=-0.34,f=-2.1!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0609 K(o=-0.061,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.922 3.062 -10.336 1.00 55.43 N ATOM 2 CA GLY A 1 -2.922 1.986 -9.363 1.00 70.01 C ATOM 3 C GLY A 1 -2.416 0.680 -9.943 1.00 45.30 C ATOM 4 O GLY A 1 -2.281 0.544 -11.159 1.00 4.21 O ATOM 0 H1 GLY A 1 -2.231 3.786 -10.053 1.00 55.43 H new ATOM 0 H2 GLY A 1 -2.666 2.685 -11.271 1.00 55.43 H new ATOM 0 H3 GLY A 1 -3.870 3.488 -10.383 1.00 55.43 H new ATOM 0 HA2 GLY A 1 -2.300 2.268 -8.514 1.00 70.01 H new ATOM 0 HA3 GLY A 1 -3.934 1.844 -8.983 1.00 70.01 H new ATOM 8 N SER A 2 -2.133 -0.282 -9.071 1.00 64.42 N ATOM 9 CA SER A 2 -1.633 -1.582 -9.503 1.00 65.24 C ATOM 10 C SER A 2 -2.727 -2.642 -9.417 1.00 51.50 C ATOM 11 O SER A 2 -3.041 -3.139 -8.336 1.00 42.34 O ATOM 12 CB SER A 2 -0.434 -2.001 -8.650 1.00 3.40 C ATOM 13 OG SER A 2 0.364 -0.880 -8.307 1.00 35.44 O ATOM 0 H SER A 2 -2.241 -0.186 -8.061 1.00 64.42 H new ATOM 0 HA SER A 2 -1.317 -1.494 -10.543 1.00 65.24 H new ATOM 0 HB2 SER A 2 -0.783 -2.494 -7.743 1.00 3.40 H new ATOM 0 HB3 SER A 2 0.169 -2.727 -9.196 1.00 3.40 H new ATOM 0 HG SER A 2 1.123 -1.173 -7.761 1.00 35.44 H new ATOM 19 N ASN A 3 -3.305 -2.982 -10.565 1.00 4.42 N ATOM 20 CA ASN A 3 -4.365 -3.981 -10.620 1.00 60.41 C ATOM 21 C ASN A 3 -3.853 -5.344 -10.162 1.00 43.51 C ATOM 22 O ASN A 3 -3.214 -6.066 -10.926 1.00 43.23 O ATOM 23 CB ASN A 3 -4.923 -4.085 -12.041 1.00 21.20 C ATOM 24 CG ASN A 3 -5.464 -2.762 -12.548 1.00 32.43 C ATOM 25 OD1 ASN A 3 -4.780 -2.034 -13.266 1.00 52.55 O ATOM 26 ND2 ASN A 3 -6.699 -2.446 -12.174 1.00 24.31 N ATOM 0 H ASN A 3 -3.057 -2.580 -11.469 1.00 4.42 H new ATOM 0 HA ASN A 3 -5.162 -3.666 -9.946 1.00 60.41 H new ATOM 0 HB2 ASN A 3 -4.138 -4.435 -12.712 1.00 21.20 H new ATOM 0 HB3 ASN A 3 -5.717 -4.831 -12.063 1.00 21.20 H new ATOM 0 HD21 ASN A 3 -7.117 -1.568 -12.483 1.00 24.31 H new ATOM 0 HD22 ASN A 3 -7.229 -3.081 -11.577 1.00 24.31 H new ATOM 33 N GLU A 4 -4.139 -5.687 -8.910 1.00 42.11 N ATOM 34 CA GLU A 4 -3.707 -6.962 -8.351 1.00 24.33 C ATOM 35 C GLU A 4 -4.873 -7.689 -7.687 1.00 10.51 C ATOM 36 O GLU A 4 -4.852 -7.952 -6.484 1.00 60.45 O ATOM 37 CB GLU A 4 -2.583 -6.745 -7.335 1.00 42.44 C ATOM 38 CG GLU A 4 -1.805 -8.008 -7.008 1.00 34.34 C ATOM 39 CD GLU A 4 -0.647 -8.243 -7.957 1.00 61.54 C ATOM 40 OE1 GLU A 4 -0.858 -8.896 -9.001 1.00 4.20 O ATOM 41 OE2 GLU A 4 0.471 -7.774 -7.656 1.00 72.43 O ATOM 0 H GLU A 4 -4.667 -5.100 -8.264 1.00 42.11 H new ATOM 0 HA GLU A 4 -3.334 -7.579 -9.169 1.00 24.33 H new ATOM 0 HB2 GLU A 4 -1.894 -5.994 -7.723 1.00 42.44 H new ATOM 0 HB3 GLU A 4 -3.009 -6.342 -6.416 1.00 42.44 H new ATOM 0 HG2 GLU A 4 -1.426 -7.943 -5.988 1.00 34.34 H new ATOM 0 HG3 GLU A 4 -2.478 -8.864 -7.044 1.00 34.34 H new ATOM 48 N LYS A 5 -5.891 -8.009 -8.479 1.00 4.31 N ATOM 49 CA LYS A 5 -7.067 -8.705 -7.971 1.00 3.12 C ATOM 50 C LYS A 5 -7.185 -10.095 -8.587 1.00 63.12 C ATOM 51 O LYS A 5 -7.703 -10.269 -9.690 1.00 62.44 O ATOM 52 CB LYS A 5 -8.331 -7.895 -8.266 1.00 73.35 C ATOM 53 CG LYS A 5 -8.598 -6.793 -7.256 1.00 42.23 C ATOM 54 CD LYS A 5 -7.556 -5.690 -7.346 1.00 70.43 C ATOM 55 CE LYS A 5 -8.068 -4.390 -6.746 1.00 43.33 C ATOM 56 NZ LYS A 5 -8.420 -4.543 -5.308 1.00 34.43 N ATOM 0 H LYS A 5 -5.925 -7.797 -9.476 1.00 4.31 H new ATOM 0 HA LYS A 5 -6.956 -8.814 -6.892 1.00 3.12 H new ATOM 0 HB2 LYS A 5 -8.246 -7.453 -9.259 1.00 73.35 H new ATOM 0 HB3 LYS A 5 -9.187 -8.569 -8.290 1.00 73.35 H new ATOM 0 HG2 LYS A 5 -9.589 -6.373 -7.427 1.00 42.23 H new ATOM 0 HG3 LYS A 5 -8.599 -7.213 -6.250 1.00 42.23 H new ATOM 0 HD2 LYS A 5 -6.650 -6.000 -6.825 1.00 70.43 H new ATOM 0 HD3 LYS A 5 -7.285 -5.529 -8.389 1.00 70.43 H new ATOM 0 HE2 LYS A 5 -7.308 -3.616 -6.853 1.00 43.33 H new ATOM 0 HE3 LYS A 5 -8.944 -4.055 -7.301 1.00 43.33 H new ATOM 0 HZ1 LYS A 5 -8.668 -3.614 -4.910 1.00 34.43 H new ATOM 0 HZ2 LYS A 5 -9.232 -5.187 -5.216 1.00 34.43 H new ATOM 0 HZ3 LYS A 5 -7.607 -4.935 -4.791 1.00 34.43 H new ATOM 70 N PRO A 6 -6.695 -11.110 -7.859 1.00 44.44 N ATOM 71 CA PRO A 6 -6.736 -12.502 -8.315 1.00 24.55 C ATOM 72 C PRO A 6 -8.152 -13.067 -8.327 1.00 51.21 C ATOM 73 O PRO A 6 -8.946 -12.801 -7.424 1.00 24.32 O ATOM 74 CB PRO A 6 -5.876 -13.238 -7.283 1.00 71.03 C ATOM 75 CG PRO A 6 -5.953 -12.396 -6.057 1.00 23.14 C ATOM 76 CD PRO A 6 -6.063 -10.975 -6.536 1.00 32.11 C ATOM 0 HA PRO A 6 -6.380 -12.606 -9.340 1.00 24.55 H new ATOM 0 HB2 PRO A 6 -6.254 -14.243 -7.097 1.00 71.03 H new ATOM 0 HB3 PRO A 6 -4.847 -13.343 -7.627 1.00 71.03 H new ATOM 0 HG2 PRO A 6 -6.815 -12.670 -5.449 1.00 23.14 H new ATOM 0 HG3 PRO A 6 -5.068 -12.531 -5.435 1.00 23.14 H new ATOM 0 HD2 PRO A 6 -6.668 -10.369 -5.861 1.00 32.11 H new ATOM 0 HD3 PRO A 6 -5.086 -10.497 -6.604 1.00 32.11 H new ATOM 84 N LYS A 7 -8.464 -13.847 -9.356 1.00 60.22 N ATOM 85 CA LYS A 7 -9.785 -14.451 -9.486 1.00 64.33 C ATOM 86 C LYS A 7 -9.769 -15.900 -9.010 1.00 75.31 C ATOM 87 O LYS A 7 -8.725 -16.552 -9.005 1.00 2.32 O ATOM 88 CB LYS A 7 -10.257 -14.386 -10.941 1.00 22.24 C ATOM 89 CG LYS A 7 -10.387 -12.970 -11.475 1.00 61.51 C ATOM 90 CD LYS A 7 -11.503 -12.211 -10.777 1.00 24.12 C ATOM 91 CE LYS A 7 -11.543 -10.755 -11.213 1.00 12.52 C ATOM 92 NZ LYS A 7 -12.151 -10.596 -12.563 1.00 63.52 N ATOM 0 H LYS A 7 -7.820 -14.076 -10.113 1.00 60.22 H new ATOM 0 HA LYS A 7 -10.478 -13.889 -8.860 1.00 64.33 H new ATOM 0 HB2 LYS A 7 -9.556 -14.938 -11.567 1.00 22.24 H new ATOM 0 HB3 LYS A 7 -11.222 -14.887 -11.024 1.00 22.24 H new ATOM 0 HG2 LYS A 7 -9.444 -12.440 -11.338 1.00 61.51 H new ATOM 0 HG3 LYS A 7 -10.582 -13.001 -12.547 1.00 61.51 H new ATOM 0 HD2 LYS A 7 -12.460 -12.684 -10.997 1.00 24.12 H new ATOM 0 HD3 LYS A 7 -11.362 -12.265 -9.698 1.00 24.12 H new ATOM 0 HE2 LYS A 7 -12.113 -10.174 -10.488 1.00 12.52 H new ATOM 0 HE3 LYS A 7 -10.531 -10.350 -11.221 1.00 12.52 H new ATOM 0 HZ1 LYS A 7 -12.160 -9.589 -12.823 1.00 63.52 H new ATOM 0 HZ2 LYS A 7 -11.593 -11.129 -13.260 1.00 63.52 H new ATOM 0 HZ3 LYS A 7 -13.126 -10.958 -12.550 1.00 63.52 H new ATOM 106 N VAL A 8 -10.935 -16.400 -8.612 1.00 12.12 N ATOM 107 CA VAL A 8 -11.056 -17.773 -8.136 1.00 51.14 C ATOM 108 C VAL A 8 -12.293 -18.449 -8.718 1.00 4.11 C ATOM 109 O VAL A 8 -13.327 -17.812 -8.916 1.00 53.42 O ATOM 110 CB VAL A 8 -11.128 -17.830 -6.599 1.00 34.21 C ATOM 111 CG1 VAL A 8 -11.067 -19.271 -6.115 1.00 5.35 C ATOM 112 CG2 VAL A 8 -10.010 -17.003 -5.982 1.00 73.23 C ATOM 0 H VAL A 8 -11.809 -15.874 -8.610 1.00 12.12 H new ATOM 0 HA VAL A 8 -10.164 -18.304 -8.470 1.00 51.14 H new ATOM 0 HB VAL A 8 -12.080 -17.405 -6.281 1.00 34.21 H new ATOM 0 HG11 VAL A 8 -11.119 -19.292 -5.026 1.00 5.35 H new ATOM 0 HG12 VAL A 8 -11.906 -19.830 -6.529 1.00 5.35 H new ATOM 0 HG13 VAL A 8 -10.132 -19.725 -6.442 1.00 5.35 H new ATOM 0 HG21 VAL A 8 -10.076 -17.055 -4.895 1.00 73.23 H new ATOM 0 HG22 VAL A 8 -9.046 -17.395 -6.306 1.00 73.23 H new ATOM 0 HG23 VAL A 8 -10.106 -15.966 -6.302 1.00 73.23 H new ATOM 122 N LYS A 9 -12.179 -19.745 -8.989 1.00 52.44 N ATOM 123 CA LYS A 9 -13.288 -20.510 -9.547 1.00 20.02 C ATOM 124 C LYS A 9 -14.538 -20.364 -8.684 1.00 63.34 C ATOM 125 O LYS A 9 -15.661 -20.466 -9.178 1.00 41.12 O ATOM 126 CB LYS A 9 -12.906 -21.987 -9.665 1.00 74.31 C ATOM 127 CG LYS A 9 -12.279 -22.556 -8.404 1.00 62.24 C ATOM 128 CD LYS A 9 -12.762 -23.971 -8.130 1.00 44.35 C ATOM 129 CE LYS A 9 -11.597 -24.937 -7.975 1.00 11.33 C ATOM 130 NZ LYS A 9 -11.157 -25.051 -6.557 1.00 1.33 N ATOM 0 H LYS A 9 -11.330 -20.287 -8.831 1.00 52.44 H new ATOM 0 HA LYS A 9 -13.506 -20.117 -10.540 1.00 20.02 H new ATOM 0 HB2 LYS A 9 -13.797 -22.565 -9.911 1.00 74.31 H new ATOM 0 HB3 LYS A 9 -12.209 -22.108 -10.494 1.00 74.31 H new ATOM 0 HG2 LYS A 9 -11.194 -22.554 -8.504 1.00 62.24 H new ATOM 0 HG3 LYS A 9 -12.522 -21.917 -7.555 1.00 62.24 H new ATOM 0 HD2 LYS A 9 -13.367 -23.981 -7.224 1.00 44.35 H new ATOM 0 HD3 LYS A 9 -13.404 -24.302 -8.946 1.00 44.35 H new ATOM 0 HE2 LYS A 9 -11.888 -25.920 -8.345 1.00 11.33 H new ATOM 0 HE3 LYS A 9 -10.762 -24.600 -8.589 1.00 11.33 H new ATOM 0 HZ1 LYS A 9 -10.362 -25.718 -6.493 1.00 1.33 H new ATOM 0 HZ2 LYS A 9 -10.855 -24.118 -6.211 1.00 1.33 H new ATOM 0 HZ3 LYS A 9 -11.947 -25.397 -5.975 1.00 1.33 H new ATOM 144 N LYS A 10 -14.335 -20.124 -7.393 1.00 72.33 N ATOM 145 CA LYS A 10 -15.445 -19.962 -6.462 1.00 10.53 C ATOM 146 C LYS A 10 -15.829 -18.492 -6.324 1.00 41.34 C ATOM 147 O LYS A 10 -16.970 -18.166 -5.994 1.00 43.11 O ATOM 148 CB LYS A 10 -15.075 -20.533 -5.091 1.00 73.31 C ATOM 149 CG LYS A 10 -16.273 -21.013 -4.289 1.00 43.11 C ATOM 150 CD LYS A 10 -16.909 -19.878 -3.505 1.00 15.21 C ATOM 151 CE LYS A 10 -17.588 -20.385 -2.242 1.00 35.10 C ATOM 152 NZ LYS A 10 -16.640 -20.467 -1.097 1.00 10.22 N ATOM 0 H LYS A 10 -13.412 -20.037 -6.968 1.00 72.33 H new ATOM 0 HA LYS A 10 -16.301 -20.508 -6.858 1.00 10.53 H new ATOM 0 HB2 LYS A 10 -14.383 -21.364 -5.227 1.00 73.31 H new ATOM 0 HB3 LYS A 10 -14.548 -19.770 -4.519 1.00 73.31 H new ATOM 0 HG2 LYS A 10 -17.011 -21.450 -4.962 1.00 43.11 H new ATOM 0 HG3 LYS A 10 -15.961 -21.800 -3.603 1.00 43.11 H new ATOM 0 HD2 LYS A 10 -16.147 -19.145 -3.240 1.00 15.21 H new ATOM 0 HD3 LYS A 10 -17.639 -19.366 -4.132 1.00 15.21 H new ATOM 0 HE2 LYS A 10 -18.414 -19.723 -1.983 1.00 35.10 H new ATOM 0 HE3 LYS A 10 -18.016 -21.370 -2.430 1.00 35.10 H new ATOM 0 HZ1 LYS A 10 -17.141 -20.817 -0.256 1.00 10.22 H new ATOM 0 HZ2 LYS A 10 -15.865 -21.119 -1.334 1.00 10.22 H new ATOM 0 HZ3 LYS A 10 -16.250 -19.523 -0.901 1.00 10.22 H new ATOM 166 N HIS A 11 -14.870 -17.608 -6.581 1.00 40.32 N ATOM 167 CA HIS A 11 -15.109 -16.172 -6.488 1.00 41.21 C ATOM 168 C HIS A 11 -16.044 -15.704 -7.599 1.00 13.42 C ATOM 169 O HIS A 11 -16.759 -14.712 -7.445 1.00 24.41 O ATOM 170 CB HIS A 11 -13.787 -15.407 -6.563 1.00 22.53 C ATOM 171 CG HIS A 11 -13.127 -15.220 -5.231 1.00 73.01 C ATOM 172 ND1 HIS A 11 -13.268 -16.112 -4.189 1.00 74.12 N ATOM 173 CD2 HIS A 11 -12.317 -14.236 -4.775 1.00 74.10 C ATOM 174 CE1 HIS A 11 -12.575 -15.684 -3.149 1.00 73.12 C ATOM 175 NE2 HIS A 11 -11.988 -14.548 -3.479 1.00 13.32 N ATOM 0 H HIS A 11 -13.921 -17.861 -6.855 1.00 40.32 H new ATOM 0 HA HIS A 11 -15.583 -15.969 -5.528 1.00 41.21 H new ATOM 0 HB2 HIS A 11 -13.105 -15.940 -7.226 1.00 22.53 H new ATOM 0 HB3 HIS A 11 -13.967 -14.430 -7.011 1.00 22.53 H new ATOM 0 HD2 HIS A 11 -11.990 -13.367 -5.328 1.00 74.10 H new ATOM 0 HE1 HIS A 11 -12.501 -16.179 -2.192 1.00 73.12 H new ATOM 0 HE2 HIS A 11 -11.388 -13.992 -2.870 1.00 13.32 H new ATOM 184 N ILE A 12 -16.034 -16.422 -8.716 1.00 42.05 N ATOM 185 CA ILE A 12 -16.881 -16.080 -9.852 1.00 12.31 C ATOM 186 C ILE A 12 -18.335 -15.917 -9.423 1.00 55.31 C ATOM 187 O ILE A 12 -19.086 -15.140 -10.015 1.00 32.03 O ATOM 188 CB ILE A 12 -16.801 -17.149 -10.957 1.00 64.22 C ATOM 189 CG1 ILE A 12 -17.525 -16.668 -12.216 1.00 60.43 C ATOM 190 CG2 ILE A 12 -17.393 -18.462 -10.468 1.00 23.42 C ATOM 191 CD1 ILE A 12 -16.936 -17.214 -13.498 1.00 63.20 C ATOM 0 H ILE A 12 -15.448 -17.245 -8.859 1.00 42.05 H new ATOM 0 HA ILE A 12 -16.512 -15.133 -10.247 1.00 12.31 H new ATOM 0 HB ILE A 12 -15.753 -17.316 -11.205 1.00 64.22 H new ATOM 0 HG12 ILE A 12 -18.574 -16.958 -12.155 1.00 60.43 H new ATOM 0 HG13 ILE A 12 -17.497 -15.579 -12.248 1.00 60.43 H new ATOM 0 HG21 ILE A 12 -17.329 -19.208 -11.261 1.00 23.42 H new ATOM 0 HG22 ILE A 12 -16.837 -18.810 -9.597 1.00 23.42 H new ATOM 0 HG23 ILE A 12 -18.438 -18.311 -10.195 1.00 23.42 H new ATOM 0 HD11 ILE A 12 -17.499 -16.831 -14.349 1.00 63.20 H new ATOM 0 HD12 ILE A 12 -15.895 -16.902 -13.582 1.00 63.20 H new ATOM 0 HD13 ILE A 12 -16.989 -18.303 -13.488 1.00 63.20 H new ATOM 203 N THR A 13 -18.728 -16.653 -8.388 1.00 62.21 N ATOM 204 CA THR A 13 -20.092 -16.590 -7.879 1.00 22.34 C ATOM 205 C THR A 13 -20.425 -15.192 -7.372 1.00 15.03 C ATOM 206 O THR A 13 -21.458 -14.623 -7.725 1.00 72.14 O ATOM 207 CB THR A 13 -20.313 -17.603 -6.740 1.00 33.44 C ATOM 208 OG1 THR A 13 -19.529 -17.237 -5.599 1.00 20.21 O ATOM 209 CG2 THR A 13 -19.942 -19.009 -7.186 1.00 73.53 C ATOM 0 H THR A 13 -18.120 -17.300 -7.886 1.00 62.21 H new ATOM 0 HA THR A 13 -20.752 -16.839 -8.710 1.00 22.34 H new ATOM 0 HB THR A 13 -21.370 -17.590 -6.473 1.00 33.44 H new ATOM 0 HG1 THR A 13 -18.607 -17.545 -5.723 1.00 20.21 H new ATOM 0 HG21 THR A 13 -20.107 -19.707 -6.365 1.00 73.53 H new ATOM 0 HG22 THR A 13 -20.561 -19.296 -8.036 1.00 73.53 H new ATOM 0 HG23 THR A 13 -18.892 -19.033 -7.478 1.00 73.53 H new ATOM 217 N SER A 14 -19.545 -14.643 -6.542 1.00 4.44 N ATOM 218 CA SER A 14 -19.748 -13.311 -5.983 1.00 43.13 C ATOM 219 C SER A 14 -19.585 -12.241 -7.058 1.00 43.43 C ATOM 220 O SER A 14 -20.278 -11.224 -7.047 1.00 44.42 O ATOM 221 CB SER A 14 -18.761 -13.058 -4.842 1.00 14.54 C ATOM 222 OG SER A 14 -17.512 -13.675 -5.100 1.00 52.45 O ATOM 0 H SER A 14 -18.684 -15.100 -6.241 1.00 4.44 H new ATOM 0 HA SER A 14 -20.764 -13.258 -5.593 1.00 43.13 H new ATOM 0 HB2 SER A 14 -18.620 -11.985 -4.711 1.00 14.54 H new ATOM 0 HB3 SER A 14 -19.173 -13.442 -3.909 1.00 14.54 H new ATOM 0 HG SER A 14 -17.367 -13.728 -6.068 1.00 52.45 H new ATOM 228 N ALA A 15 -18.663 -12.478 -7.986 1.00 31.11 N ATOM 229 CA ALA A 15 -18.409 -11.537 -9.069 1.00 54.34 C ATOM 230 C ALA A 15 -19.598 -11.463 -10.023 1.00 25.45 C ATOM 231 O ALA A 15 -19.821 -10.443 -10.675 1.00 13.21 O ATOM 232 CB ALA A 15 -17.148 -11.928 -9.824 1.00 61.55 C ATOM 0 H ALA A 15 -18.080 -13.314 -8.009 1.00 31.11 H new ATOM 0 HA ALA A 15 -18.265 -10.549 -8.632 1.00 54.34 H new ATOM 0 HB1 ALA A 15 -16.971 -11.216 -10.630 1.00 61.55 H new ATOM 0 HB2 ALA A 15 -16.298 -11.922 -9.141 1.00 61.55 H new ATOM 0 HB3 ALA A 15 -17.270 -12.927 -10.243 1.00 61.55 H new ATOM 238 N LEU A 16 -20.356 -12.551 -10.099 1.00 72.23 N ATOM 239 CA LEU A 16 -21.522 -12.611 -10.974 1.00 51.40 C ATOM 240 C LEU A 16 -22.708 -11.881 -10.351 1.00 31.52 C ATOM 241 O LEU A 16 -23.387 -11.098 -11.014 1.00 55.41 O ATOM 242 CB LEU A 16 -21.896 -14.066 -11.260 1.00 34.04 C ATOM 243 CG LEU A 16 -21.738 -14.528 -12.709 1.00 13.23 C ATOM 244 CD1 LEU A 16 -20.312 -14.306 -13.187 1.00 23.42 C ATOM 245 CD2 LEU A 16 -22.128 -15.992 -12.847 1.00 61.33 C ATOM 0 H LEU A 16 -20.185 -13.403 -9.566 1.00 72.23 H new ATOM 0 HA LEU A 16 -21.267 -12.118 -11.912 1.00 51.40 H new ATOM 0 HB2 LEU A 16 -21.285 -14.708 -10.626 1.00 34.04 H new ATOM 0 HB3 LEU A 16 -22.933 -14.219 -10.962 1.00 34.04 H new ATOM 0 HG LEU A 16 -22.405 -13.935 -13.335 1.00 13.23 H new ATOM 0 HD11 LEU A 16 -20.218 -14.641 -14.220 1.00 23.42 H new ATOM 0 HD12 LEU A 16 -20.069 -13.245 -13.126 1.00 23.42 H new ATOM 0 HD13 LEU A 16 -19.625 -14.873 -12.558 1.00 23.42 H new ATOM 0 HD21 LEU A 16 -22.009 -16.304 -13.885 1.00 61.33 H new ATOM 0 HD22 LEU A 16 -21.487 -16.601 -12.210 1.00 61.33 H new ATOM 0 HD23 LEU A 16 -23.167 -16.122 -12.546 1.00 61.33 H new ATOM 257 N LYS A 17 -22.951 -12.143 -9.071 1.00 23.31 N ATOM 258 CA LYS A 17 -24.052 -11.510 -8.355 1.00 72.14 C ATOM 259 C LYS A 17 -23.968 -9.991 -8.462 1.00 12.22 C ATOM 260 O LYS A 17 -24.982 -9.313 -8.631 1.00 42.22 O ATOM 261 CB LYS A 17 -24.040 -11.930 -6.884 1.00 31.41 C ATOM 262 CG LYS A 17 -24.718 -13.265 -6.627 1.00 72.00 C ATOM 263 CD LYS A 17 -26.232 -13.135 -6.651 1.00 61.22 C ATOM 264 CE LYS A 17 -26.910 -14.439 -6.258 1.00 5.24 C ATOM 265 NZ LYS A 17 -27.109 -14.538 -4.785 1.00 53.42 N ATOM 0 H LYS A 17 -22.399 -12.790 -8.508 1.00 23.31 H new ATOM 0 HA LYS A 17 -24.986 -11.838 -8.812 1.00 72.14 H new ATOM 0 HB2 LYS A 17 -23.008 -11.984 -6.539 1.00 31.41 H new ATOM 0 HB3 LYS A 17 -24.535 -11.161 -6.291 1.00 31.41 H new ATOM 0 HG2 LYS A 17 -24.402 -13.986 -7.381 1.00 72.00 H new ATOM 0 HG3 LYS A 17 -24.401 -13.655 -5.660 1.00 72.00 H new ATOM 0 HD2 LYS A 17 -26.541 -12.343 -5.969 1.00 61.22 H new ATOM 0 HD3 LYS A 17 -26.557 -12.841 -7.649 1.00 61.22 H new ATOM 0 HE2 LYS A 17 -27.874 -14.513 -6.761 1.00 5.24 H new ATOM 0 HE3 LYS A 17 -26.307 -15.280 -6.600 1.00 5.24 H new ATOM 0 HZ1 LYS A 17 -27.574 -15.440 -4.557 1.00 53.42 H new ATOM 0 HZ2 LYS A 17 -26.187 -14.493 -4.306 1.00 53.42 H new ATOM 0 HZ3 LYS A 17 -27.706 -13.750 -4.462 1.00 53.42 H new ATOM 279 N LYS A 18 -22.753 -9.462 -8.363 1.00 15.43 N ATOM 280 CA LYS A 18 -22.536 -8.023 -8.450 1.00 42.44 C ATOM 281 C LYS A 18 -22.567 -7.555 -9.902 1.00 71.10 C ATOM 282 O LYS A 18 -23.104 -6.490 -10.211 1.00 21.34 O ATOM 283 CB LYS A 18 -21.196 -7.649 -7.812 1.00 12.31 C ATOM 284 CG LYS A 18 -19.992 -8.171 -8.576 1.00 4.33 C ATOM 285 CD LYS A 18 -18.705 -7.973 -7.791 1.00 74.20 C ATOM 286 CE LYS A 18 -17.494 -7.929 -8.709 1.00 43.32 C ATOM 287 NZ LYS A 18 -16.271 -8.454 -8.040 1.00 74.23 N ATOM 0 H LYS A 18 -21.903 -10.009 -8.222 1.00 15.43 H new ATOM 0 HA LYS A 18 -23.341 -7.526 -7.909 1.00 42.44 H new ATOM 0 HB2 LYS A 18 -21.128 -6.564 -7.740 1.00 12.31 H new ATOM 0 HB3 LYS A 18 -21.167 -8.038 -6.794 1.00 12.31 H new ATOM 0 HG2 LYS A 18 -20.128 -9.231 -8.792 1.00 4.33 H new ATOM 0 HG3 LYS A 18 -19.917 -7.657 -9.535 1.00 4.33 H new ATOM 0 HD2 LYS A 18 -18.764 -7.046 -7.221 1.00 74.20 H new ATOM 0 HD3 LYS A 18 -18.588 -8.783 -7.071 1.00 74.20 H new ATOM 0 HE2 LYS A 18 -17.697 -8.514 -9.606 1.00 43.32 H new ATOM 0 HE3 LYS A 18 -17.319 -6.902 -9.031 1.00 43.32 H new ATOM 0 HZ1 LYS A 18 -15.468 -8.407 -8.699 1.00 74.23 H new ATOM 0 HZ2 LYS A 18 -16.062 -7.880 -7.198 1.00 74.23 H new ATOM 0 HZ3 LYS A 18 -16.428 -9.442 -7.755 1.00 74.23 H new ATOM 301 N LEU A 19 -21.990 -8.358 -10.790 1.00 12.53 N ATOM 302 CA LEU A 19 -21.953 -8.027 -12.210 1.00 14.40 C ATOM 303 C LEU A 19 -23.357 -7.757 -12.743 1.00 20.12 C ATOM 304 O LEU A 19 -23.616 -6.712 -13.340 1.00 23.01 O ATOM 305 CB LEU A 19 -21.304 -9.163 -13.002 1.00 34.11 C ATOM 306 CG LEU A 19 -19.823 -8.986 -13.339 1.00 35.01 C ATOM 307 CD1 LEU A 19 -19.180 -10.331 -13.640 1.00 0.34 C ATOM 308 CD2 LEU A 19 -19.654 -8.037 -14.516 1.00 52.40 C ATOM 0 H LEU A 19 -21.542 -9.243 -10.551 1.00 12.53 H new ATOM 0 HA LEU A 19 -21.358 -7.122 -12.331 1.00 14.40 H new ATOM 0 HB2 LEU A 19 -21.419 -10.087 -12.435 1.00 34.11 H new ATOM 0 HB3 LEU A 19 -21.855 -9.291 -13.934 1.00 34.11 H new ATOM 0 HG LEU A 19 -19.322 -8.552 -12.473 1.00 35.01 H new ATOM 0 HD11 LEU A 19 -18.126 -10.185 -13.878 1.00 0.34 H new ATOM 0 HD12 LEU A 19 -19.269 -10.980 -12.769 1.00 0.34 H new ATOM 0 HD13 LEU A 19 -19.683 -10.793 -14.490 1.00 0.34 H new ATOM 0 HD21 LEU A 19 -18.594 -7.923 -14.742 1.00 52.40 H new ATOM 0 HD22 LEU A 19 -20.169 -8.442 -15.387 1.00 52.40 H new ATOM 0 HD23 LEU A 19 -20.078 -7.065 -14.264 1.00 52.40 H new ATOM 320 N VAL A 20 -24.261 -8.706 -12.521 1.00 30.01 N ATOM 321 CA VAL A 20 -25.640 -8.570 -12.976 1.00 4.24 C ATOM 322 C VAL A 20 -26.306 -7.349 -12.351 1.00 33.40 C ATOM 323 O VAL A 20 -27.218 -6.762 -12.933 1.00 12.52 O ATOM 324 CB VAL A 20 -26.469 -9.823 -12.638 1.00 25.24 C ATOM 325 CG1 VAL A 20 -26.652 -9.953 -11.133 1.00 42.31 C ATOM 326 CG2 VAL A 20 -27.814 -9.778 -13.345 1.00 75.10 C ATOM 0 H VAL A 20 -24.063 -9.577 -12.029 1.00 30.01 H new ATOM 0 HA VAL A 20 -25.606 -8.448 -14.059 1.00 4.24 H new ATOM 0 HB VAL A 20 -25.928 -10.701 -12.991 1.00 25.24 H new ATOM 0 HG11 VAL A 20 -27.240 -10.844 -10.914 1.00 42.31 H new ATOM 0 HG12 VAL A 20 -25.677 -10.035 -10.654 1.00 42.31 H new ATOM 0 HG13 VAL A 20 -27.171 -9.073 -10.752 1.00 42.31 H new ATOM 0 HG21 VAL A 20 -28.387 -10.671 -13.095 1.00 75.10 H new ATOM 0 HG22 VAL A 20 -28.364 -8.893 -13.025 1.00 75.10 H new ATOM 0 HG23 VAL A 20 -27.657 -9.738 -14.423 1.00 75.10 H new ATOM 336 N ASP A 21 -25.845 -6.973 -11.163 1.00 60.34 N ATOM 337 CA ASP A 21 -26.395 -5.821 -10.459 1.00 54.13 C ATOM 338 C ASP A 21 -25.864 -4.519 -11.050 1.00 10.41 C ATOM 339 O ASP A 21 -26.591 -3.531 -11.157 1.00 41.42 O ATOM 340 CB ASP A 21 -26.055 -5.896 -8.970 1.00 33.10 C ATOM 341 CG ASP A 21 -26.986 -5.054 -8.120 1.00 53.22 C ATOM 342 OD1 ASP A 21 -28.213 -5.113 -8.346 1.00 73.43 O ATOM 343 OD2 ASP A 21 -26.488 -4.336 -7.229 1.00 11.43 O ATOM 0 H ASP A 21 -25.092 -7.450 -10.667 1.00 60.34 H new ATOM 0 HA ASP A 21 -27.478 -5.837 -10.577 1.00 54.13 H new ATOM 0 HB2 ASP A 21 -26.106 -6.934 -8.641 1.00 33.10 H new ATOM 0 HB3 ASP A 21 -25.028 -5.563 -8.818 1.00 33.10 H new ATOM 348 N LYS A 22 -24.591 -4.524 -11.431 1.00 11.42 N ATOM 349 CA LYS A 22 -23.961 -3.344 -12.011 1.00 1.32 C ATOM 350 C LYS A 22 -24.006 -3.396 -13.535 1.00 33.14 C ATOM 351 O LYS A 22 -23.204 -2.753 -14.212 1.00 10.23 O ATOM 352 CB LYS A 22 -22.510 -3.230 -11.537 1.00 32.01 C ATOM 353 CG LYS A 22 -22.363 -3.222 -10.025 1.00 51.22 C ATOM 354 CD LYS A 22 -20.989 -3.709 -9.596 1.00 12.30 C ATOM 355 CE LYS A 22 -20.935 -3.977 -8.100 1.00 12.12 C ATOM 356 NZ LYS A 22 -20.953 -2.715 -7.309 1.00 64.11 N ATOM 0 H LYS A 22 -23.975 -5.333 -11.348 1.00 11.42 H new ATOM 0 HA LYS A 22 -24.516 -2.467 -11.678 1.00 1.32 H new ATOM 0 HB2 LYS A 22 -21.937 -4.063 -11.945 1.00 32.01 H new ATOM 0 HB3 LYS A 22 -22.075 -2.316 -11.941 1.00 32.01 H new ATOM 0 HG2 LYS A 22 -22.526 -2.212 -9.648 1.00 51.22 H new ATOM 0 HG3 LYS A 22 -23.130 -3.856 -9.581 1.00 51.22 H new ATOM 0 HD2 LYS A 22 -20.739 -4.620 -10.139 1.00 12.30 H new ATOM 0 HD3 LYS A 22 -20.239 -2.964 -9.861 1.00 12.30 H new ATOM 0 HE2 LYS A 22 -21.783 -4.598 -7.812 1.00 12.12 H new ATOM 0 HE3 LYS A 22 -20.032 -4.540 -7.864 1.00 12.12 H new ATOM 0 HZ1 LYS A 22 -20.915 -2.941 -6.294 1.00 64.11 H new ATOM 0 HZ2 LYS A 22 -20.130 -2.133 -7.565 1.00 64.11 H new ATOM 0 HZ3 LYS A 22 -21.827 -2.189 -7.514 1.00 64.11 H new ATOM 370 N TYR A 23 -24.950 -4.165 -14.068 1.00 3.55 N ATOM 371 CA TYR A 23 -25.099 -4.301 -15.512 1.00 22.25 C ATOM 372 C TYR A 23 -25.401 -2.953 -16.158 1.00 42.21 C ATOM 373 O TYR A 23 -24.833 -2.607 -17.194 1.00 64.41 O ATOM 374 CB TYR A 23 -26.213 -5.297 -15.838 1.00 41.03 C ATOM 375 CG TYR A 23 -26.398 -5.534 -17.320 1.00 51.31 C ATOM 376 CD1 TYR A 23 -27.159 -4.665 -18.092 1.00 50.45 C ATOM 377 CD2 TYR A 23 -25.813 -6.626 -17.948 1.00 32.53 C ATOM 378 CE1 TYR A 23 -27.332 -4.877 -19.447 1.00 24.04 C ATOM 379 CE2 TYR A 23 -25.979 -6.846 -19.301 1.00 52.04 C ATOM 380 CZ TYR A 23 -26.739 -5.969 -20.046 1.00 54.35 C ATOM 381 OH TYR A 23 -26.908 -6.185 -21.395 1.00 13.30 O ATOM 0 H TYR A 23 -25.623 -4.703 -13.522 1.00 3.55 H new ATOM 0 HA TYR A 23 -24.158 -4.673 -15.916 1.00 22.25 H new ATOM 0 HB2 TYR A 23 -25.993 -6.247 -15.351 1.00 41.03 H new ATOM 0 HB3 TYR A 23 -27.150 -4.932 -15.417 1.00 41.03 H new ATOM 0 HD1 TYR A 23 -27.624 -3.809 -17.625 1.00 50.45 H new ATOM 0 HD2 TYR A 23 -25.218 -7.315 -17.368 1.00 32.53 H new ATOM 0 HE1 TYR A 23 -27.927 -4.192 -20.033 1.00 24.04 H new ATOM 0 HE2 TYR A 23 -25.516 -7.700 -19.773 1.00 52.04 H new ATOM 0 HH TYR A 23 -26.425 -6.995 -21.660 1.00 13.30 H new ATOM 391 N ARG A 24 -26.299 -2.195 -15.538 1.00 52.30 N ATOM 392 CA ARG A 24 -26.678 -0.884 -16.052 1.00 72.10 C ATOM 393 C ARG A 24 -25.799 0.210 -15.453 1.00 71.10 C ATOM 394 O ARG A 24 -26.104 1.396 -15.566 1.00 50.34 O ATOM 395 CB ARG A 24 -28.149 -0.597 -15.743 1.00 61.44 C ATOM 396 CG ARG A 24 -29.117 -1.456 -16.541 1.00 51.41 C ATOM 397 CD ARG A 24 -29.542 -2.689 -15.760 1.00 12.14 C ATOM 398 NE ARG A 24 -30.630 -3.407 -16.419 1.00 44.12 N ATOM 399 CZ ARG A 24 -31.407 -4.291 -15.803 1.00 45.03 C ATOM 400 NH1 ARG A 24 -31.217 -4.564 -14.520 1.00 33.22 N ATOM 401 NH2 ARG A 24 -32.376 -4.903 -16.471 1.00 63.45 N ATOM 0 H ARG A 24 -26.778 -2.466 -14.679 1.00 52.30 H new ATOM 0 HA ARG A 24 -26.535 -0.890 -17.133 1.00 72.10 H new ATOM 0 HB2 ARG A 24 -28.326 -0.757 -14.679 1.00 61.44 H new ATOM 0 HB3 ARG A 24 -28.356 0.454 -15.946 1.00 61.44 H new ATOM 0 HG2 ARG A 24 -29.997 -0.868 -16.802 1.00 51.41 H new ATOM 0 HG3 ARG A 24 -28.648 -1.760 -17.477 1.00 51.41 H new ATOM 0 HD2 ARG A 24 -28.688 -3.355 -15.642 1.00 12.14 H new ATOM 0 HD3 ARG A 24 -29.857 -2.393 -14.759 1.00 12.14 H new ATOM 0 HE ARG A 24 -30.803 -3.219 -17.407 1.00 44.12 H new ATOM 0 HH11 ARG A 24 -30.473 -4.095 -14.004 1.00 33.22 H new ATOM 0 HH12 ARG A 24 -31.815 -5.243 -14.049 1.00 33.22 H new ATOM 0 HH21 ARG A 24 -32.525 -4.695 -17.458 1.00 63.45 H new ATOM 0 HH22 ARG A 24 -32.972 -5.582 -15.997 1.00 63.45 H new ATOM 415 N ASN A 25 -24.707 -0.199 -14.815 1.00 12.21 N ATOM 416 CA ASN A 25 -23.784 0.746 -14.197 1.00 13.41 C ATOM 417 C ASN A 25 -22.544 0.941 -15.063 1.00 64.22 C ATOM 418 O ASN A 25 -22.013 2.047 -15.166 1.00 22.10 O ATOM 419 CB ASN A 25 -23.377 0.258 -12.805 1.00 61.34 C ATOM 420 CG ASN A 25 -24.413 0.591 -11.749 1.00 71.24 C ATOM 421 OD1 ASN A 25 -24.165 1.398 -10.854 1.00 14.24 O ATOM 422 ND2 ASN A 25 -25.582 -0.032 -11.850 1.00 43.12 N ATOM 0 H ASN A 25 -24.440 -1.178 -14.713 1.00 12.21 H new ATOM 0 HA ASN A 25 -24.294 1.705 -14.103 1.00 13.41 H new ATOM 0 HB2 ASN A 25 -23.224 -0.821 -12.832 1.00 61.34 H new ATOM 0 HB3 ASN A 25 -22.424 0.709 -12.529 1.00 61.34 H new ATOM 0 HD21 ASN A 25 -26.318 0.151 -11.168 1.00 43.12 H new ATOM 0 HD22 ASN A 25 -25.743 -0.694 -12.609 1.00 43.12 H new ATOM 429 N ASP A 26 -22.087 -0.141 -15.685 1.00 15.03 N ATOM 430 CA ASP A 26 -20.910 -0.090 -16.544 1.00 53.10 C ATOM 431 C ASP A 26 -21.217 -0.670 -17.921 1.00 52.12 C ATOM 432 O ASP A 26 -21.731 -1.782 -18.036 1.00 23.34 O ATOM 433 CB ASP A 26 -19.751 -0.853 -15.902 1.00 64.23 C ATOM 434 CG ASP A 26 -18.852 0.046 -15.076 1.00 14.11 C ATOM 435 OD1 ASP A 26 -18.557 1.171 -15.532 1.00 15.14 O ATOM 436 OD2 ASP A 26 -18.445 -0.375 -13.973 1.00 52.42 O ATOM 0 H ASP A 26 -22.514 -1.064 -15.610 1.00 15.03 H new ATOM 0 HA ASP A 26 -20.624 0.955 -16.666 1.00 53.10 H new ATOM 0 HB2 ASP A 26 -20.149 -1.645 -15.268 1.00 64.23 H new ATOM 0 HB3 ASP A 26 -19.161 -1.334 -16.682 1.00 64.23 H new ATOM 441 N GLU A 27 -20.900 0.092 -18.963 1.00 41.40 N ATOM 442 CA GLU A 27 -21.144 -0.346 -20.332 1.00 70.21 C ATOM 443 C GLU A 27 -20.318 -1.586 -20.662 1.00 33.55 C ATOM 444 O GLU A 27 -20.816 -2.533 -21.272 1.00 61.20 O ATOM 445 CB GLU A 27 -20.813 0.777 -21.317 1.00 72.35 C ATOM 446 CG GLU A 27 -19.395 1.305 -21.185 1.00 23.23 C ATOM 447 CD GLU A 27 -19.264 2.746 -21.638 1.00 62.23 C ATOM 448 OE1 GLU A 27 -20.101 3.576 -21.225 1.00 23.43 O ATOM 449 OE2 GLU A 27 -18.326 3.044 -22.406 1.00 64.24 O ATOM 0 H GLU A 27 -20.474 1.015 -18.885 1.00 41.40 H new ATOM 0 HA GLU A 27 -22.200 -0.599 -20.422 1.00 70.21 H new ATOM 0 HB2 GLU A 27 -20.963 0.413 -22.333 1.00 72.35 H new ATOM 0 HB3 GLU A 27 -21.513 1.599 -21.166 1.00 72.35 H new ATOM 0 HG2 GLU A 27 -19.077 1.225 -20.146 1.00 23.23 H new ATOM 0 HG3 GLU A 27 -18.723 0.681 -21.773 1.00 23.23 H new ATOM 456 N HIS A 28 -19.053 -1.574 -20.253 1.00 53.43 N ATOM 457 CA HIS A 28 -18.157 -2.697 -20.505 1.00 15.14 C ATOM 458 C HIS A 28 -18.711 -3.981 -19.894 1.00 12.33 C ATOM 459 O HIS A 28 -18.463 -5.077 -20.396 1.00 53.23 O ATOM 460 CB HIS A 28 -16.768 -2.406 -19.936 1.00 53.33 C ATOM 461 CG HIS A 28 -15.961 -1.467 -20.779 1.00 61.22 C ATOM 462 ND1 HIS A 28 -14.616 -1.241 -20.576 1.00 0.40 N ATOM 463 CD2 HIS A 28 -16.316 -0.697 -21.834 1.00 4.41 C ATOM 464 CE1 HIS A 28 -14.179 -0.370 -21.468 1.00 43.11 C ATOM 465 NE2 HIS A 28 -15.190 -0.024 -22.244 1.00 35.42 N ATOM 0 H HIS A 28 -18.626 -0.799 -19.746 1.00 53.43 H new ATOM 0 HA HIS A 28 -18.078 -2.833 -21.584 1.00 15.14 H new ATOM 0 HB2 HIS A 28 -16.875 -1.984 -18.937 1.00 53.33 H new ATOM 0 HB3 HIS A 28 -16.224 -3.344 -19.829 1.00 53.33 H new ATOM 0 HD2 HIS A 28 -17.301 -0.625 -22.272 1.00 4.41 H new ATOM 0 HE1 HIS A 28 -13.166 -0.003 -21.549 1.00 43.11 H new ATOM 0 HE2 HIS A 28 -15.143 0.635 -23.021 1.00 35.42 H new ATOM 474 N VAL A 29 -19.462 -3.837 -18.806 1.00 3.00 N ATOM 475 CA VAL A 29 -20.051 -4.985 -18.127 1.00 2.45 C ATOM 476 C VAL A 29 -21.185 -5.587 -18.948 1.00 62.22 C ATOM 477 O VAL A 29 -21.398 -6.800 -18.936 1.00 2.33 O ATOM 478 CB VAL A 29 -20.588 -4.598 -16.736 1.00 33.43 C ATOM 479 CG1 VAL A 29 -21.285 -5.783 -16.084 1.00 61.44 C ATOM 480 CG2 VAL A 29 -19.461 -4.081 -15.854 1.00 74.43 C ATOM 0 H VAL A 29 -19.677 -2.937 -18.376 1.00 3.00 H new ATOM 0 HA VAL A 29 -19.259 -5.725 -18.010 1.00 2.45 H new ATOM 0 HB VAL A 29 -21.319 -3.799 -16.858 1.00 33.43 H new ATOM 0 HG11 VAL A 29 -21.658 -5.491 -15.102 1.00 61.44 H new ATOM 0 HG12 VAL A 29 -22.119 -6.103 -16.708 1.00 61.44 H new ATOM 0 HG13 VAL A 29 -20.578 -6.605 -15.974 1.00 61.44 H new ATOM 0 HG21 VAL A 29 -19.859 -3.812 -14.875 1.00 74.43 H new ATOM 0 HG22 VAL A 29 -18.705 -4.857 -15.738 1.00 74.43 H new ATOM 0 HG23 VAL A 29 -19.011 -3.202 -16.316 1.00 74.43 H new ATOM 490 N ARG A 30 -21.910 -4.732 -19.662 1.00 63.33 N ATOM 491 CA ARG A 30 -23.023 -5.180 -20.490 1.00 71.21 C ATOM 492 C ARG A 30 -22.530 -6.064 -21.632 1.00 53.34 C ATOM 493 O ARG A 30 -22.995 -7.191 -21.805 1.00 53.45 O ATOM 494 CB ARG A 30 -23.784 -3.978 -21.053 1.00 30.14 C ATOM 495 CG ARG A 30 -24.185 -2.962 -19.996 1.00 31.34 C ATOM 496 CD ARG A 30 -24.648 -1.657 -20.624 1.00 72.43 C ATOM 497 NE ARG A 30 -25.879 -1.826 -21.393 1.00 24.34 N ATOM 498 CZ ARG A 30 -26.667 -0.818 -21.748 1.00 74.30 C ATOM 499 NH1 ARG A 30 -26.355 0.424 -21.406 1.00 54.25 N ATOM 500 NH2 ARG A 30 -27.771 -1.052 -22.447 1.00 63.21 N ATOM 0 H ARG A 30 -21.746 -3.725 -19.684 1.00 63.33 H new ATOM 0 HA ARG A 30 -23.696 -5.766 -19.864 1.00 71.21 H new ATOM 0 HB2 ARG A 30 -23.165 -3.485 -21.802 1.00 30.14 H new ATOM 0 HB3 ARG A 30 -24.680 -4.332 -21.563 1.00 30.14 H new ATOM 0 HG2 ARG A 30 -24.984 -3.373 -19.379 1.00 31.34 H new ATOM 0 HG3 ARG A 30 -23.339 -2.769 -19.336 1.00 31.34 H new ATOM 0 HD2 ARG A 30 -24.808 -0.915 -19.842 1.00 72.43 H new ATOM 0 HD3 ARG A 30 -23.864 -1.270 -21.275 1.00 72.43 H new ATOM 0 HE ARG A 30 -26.148 -2.770 -21.672 1.00 24.34 H new ATOM 0 HH11 ARG A 30 -25.508 0.607 -20.869 1.00 54.25 H new ATOM 0 HH12 ARG A 30 -26.962 1.196 -21.680 1.00 54.25 H new ATOM 0 HH21 ARG A 30 -28.014 -2.007 -22.712 1.00 63.21 H new ATOM 0 HH22 ARG A 30 -28.376 -0.277 -22.719 1.00 63.21 H new ATOM 514 N LYS A 31 -21.586 -5.545 -22.410 1.00 55.52 N ATOM 515 CA LYS A 31 -21.029 -6.285 -23.536 1.00 11.11 C ATOM 516 C LYS A 31 -20.379 -7.582 -23.066 1.00 21.05 C ATOM 517 O LYS A 31 -20.428 -8.599 -23.757 1.00 60.22 O ATOM 518 CB LYS A 31 -20.002 -5.427 -24.279 1.00 31.24 C ATOM 519 CG LYS A 31 -18.678 -5.294 -23.547 1.00 2.13 C ATOM 520 CD LYS A 31 -17.676 -4.483 -24.351 1.00 5.34 C ATOM 521 CE LYS A 31 -16.948 -5.347 -25.369 1.00 23.12 C ATOM 522 NZ LYS A 31 -17.672 -5.402 -26.669 1.00 10.22 N ATOM 0 H LYS A 31 -21.190 -4.614 -22.281 1.00 55.52 H new ATOM 0 HA LYS A 31 -21.845 -6.533 -24.215 1.00 11.11 H new ATOM 0 HB2 LYS A 31 -19.822 -5.861 -25.263 1.00 31.24 H new ATOM 0 HB3 LYS A 31 -20.420 -4.433 -24.441 1.00 31.24 H new ATOM 0 HG2 LYS A 31 -18.842 -4.817 -22.581 1.00 2.13 H new ATOM 0 HG3 LYS A 31 -18.270 -6.285 -23.348 1.00 2.13 H new ATOM 0 HD2 LYS A 31 -18.192 -3.671 -24.864 1.00 5.34 H new ATOM 0 HD3 LYS A 31 -16.952 -4.025 -23.677 1.00 5.34 H new ATOM 0 HE2 LYS A 31 -15.945 -4.952 -25.529 1.00 23.12 H new ATOM 0 HE3 LYS A 31 -16.834 -6.356 -24.974 1.00 23.12 H new ATOM 0 HZ1 LYS A 31 -18.237 -6.274 -26.715 1.00 10.22 H new ATOM 0 HZ2 LYS A 31 -18.301 -4.578 -26.751 1.00 10.22 H new ATOM 0 HZ3 LYS A 31 -16.985 -5.393 -27.450 1.00 10.22 H new ATOM 536 N VAL A 32 -19.771 -7.540 -21.884 1.00 40.41 N ATOM 537 CA VAL A 32 -19.113 -8.712 -21.320 1.00 73.32 C ATOM 538 C VAL A 32 -20.134 -9.755 -20.879 1.00 23.52 C ATOM 539 O VAL A 32 -20.090 -10.906 -21.316 1.00 14.32 O ATOM 540 CB VAL A 32 -18.228 -8.335 -20.118 1.00 20.25 C ATOM 541 CG1 VAL A 32 -17.797 -9.582 -19.360 1.00 44.21 C ATOM 542 CG2 VAL A 32 -17.018 -7.535 -20.577 1.00 74.30 C ATOM 0 H VAL A 32 -19.721 -6.706 -21.299 1.00 40.41 H new ATOM 0 HA VAL A 32 -18.485 -9.132 -22.106 1.00 73.32 H new ATOM 0 HB VAL A 32 -18.812 -7.711 -19.441 1.00 20.25 H new ATOM 0 HG11 VAL A 32 -17.172 -9.296 -18.514 1.00 44.21 H new ATOM 0 HG12 VAL A 32 -18.679 -10.110 -18.998 1.00 44.21 H new ATOM 0 HG13 VAL A 32 -17.231 -10.234 -20.025 1.00 44.21 H new ATOM 0 HG21 VAL A 32 -16.404 -7.277 -19.714 1.00 74.30 H new ATOM 0 HG22 VAL A 32 -16.431 -8.132 -21.275 1.00 74.30 H new ATOM 0 HG23 VAL A 32 -17.351 -6.622 -21.071 1.00 74.30 H new ATOM 552 N PHE A 33 -21.052 -9.346 -20.010 1.00 72.20 N ATOM 553 CA PHE A 33 -22.085 -10.246 -19.508 1.00 44.43 C ATOM 554 C PHE A 33 -22.991 -10.719 -20.641 1.00 62.10 C ATOM 555 O PHE A 33 -23.598 -11.787 -20.559 1.00 52.25 O ATOM 556 CB PHE A 33 -22.918 -9.549 -18.431 1.00 21.14 C ATOM 557 CG PHE A 33 -23.246 -10.433 -17.262 1.00 21.44 C ATOM 558 CD1 PHE A 33 -22.334 -10.611 -16.233 1.00 73.23 C ATOM 559 CD2 PHE A 33 -24.466 -11.086 -17.191 1.00 22.42 C ATOM 560 CE1 PHE A 33 -22.633 -11.425 -15.157 1.00 54.01 C ATOM 561 CE2 PHE A 33 -24.771 -11.901 -16.117 1.00 23.24 C ATOM 562 CZ PHE A 33 -23.854 -12.070 -15.098 1.00 5.20 C ATOM 0 H PHE A 33 -21.102 -8.397 -19.638 1.00 72.20 H new ATOM 0 HA PHE A 33 -21.594 -11.116 -19.072 1.00 44.43 H new ATOM 0 HB2 PHE A 33 -22.376 -8.674 -18.074 1.00 21.14 H new ATOM 0 HB3 PHE A 33 -23.846 -9.190 -18.876 1.00 21.14 H new ATOM 0 HD1 PHE A 33 -21.379 -10.108 -16.273 1.00 73.23 H new ATOM 0 HD2 PHE A 33 -25.187 -10.957 -17.984 1.00 22.42 H new ATOM 0 HE1 PHE A 33 -21.913 -11.557 -14.363 1.00 54.01 H new ATOM 0 HE2 PHE A 33 -25.725 -12.405 -16.075 1.00 23.24 H new ATOM 0 HZ PHE A 33 -24.091 -12.705 -14.257 1.00 5.20 H new ATOM 572 N ASP A 34 -23.077 -9.917 -21.696 1.00 42.33 N ATOM 573 CA ASP A 34 -23.908 -10.253 -22.846 1.00 40.45 C ATOM 574 C ASP A 34 -23.304 -11.411 -23.634 1.00 30.55 C ATOM 575 O ASP A 34 -23.996 -12.371 -23.971 1.00 63.51 O ATOM 576 CB ASP A 34 -24.074 -9.034 -23.756 1.00 32.13 C ATOM 577 CG ASP A 34 -24.558 -9.408 -25.143 1.00 34.43 C ATOM 578 OD1 ASP A 34 -23.737 -9.899 -25.946 1.00 33.21 O ATOM 579 OD2 ASP A 34 -25.759 -9.211 -25.425 1.00 23.51 O ATOM 0 H ASP A 34 -22.581 -9.029 -21.779 1.00 42.33 H new ATOM 0 HA ASP A 34 -24.887 -10.559 -22.478 1.00 40.45 H new ATOM 0 HB2 ASP A 34 -24.781 -8.340 -23.303 1.00 32.13 H new ATOM 0 HB3 ASP A 34 -23.121 -8.511 -23.836 1.00 32.13 H new ATOM 584 N GLU A 35 -22.010 -11.313 -23.923 1.00 32.12 N ATOM 585 CA GLU A 35 -21.315 -12.353 -24.672 1.00 45.10 C ATOM 586 C GLU A 35 -21.245 -13.648 -23.868 1.00 64.24 C ATOM 587 O GLU A 35 -21.382 -14.741 -24.419 1.00 51.23 O ATOM 588 CB GLU A 35 -19.903 -11.890 -25.039 1.00 22.43 C ATOM 589 CG GLU A 35 -19.877 -10.647 -25.911 1.00 52.14 C ATOM 590 CD GLU A 35 -20.093 -10.960 -27.379 1.00 53.23 C ATOM 591 OE1 GLU A 35 -19.540 -11.972 -27.857 1.00 62.41 O ATOM 592 OE2 GLU A 35 -20.815 -10.193 -28.050 1.00 40.21 O ATOM 0 H GLU A 35 -21.423 -10.525 -23.650 1.00 32.12 H new ATOM 0 HA GLU A 35 -21.876 -12.544 -25.587 1.00 45.10 H new ATOM 0 HB2 GLU A 35 -19.345 -11.693 -24.124 1.00 22.43 H new ATOM 0 HB3 GLU A 35 -19.388 -12.698 -25.558 1.00 22.43 H new ATOM 0 HG2 GLU A 35 -20.648 -9.955 -25.574 1.00 52.14 H new ATOM 0 HG3 GLU A 35 -18.919 -10.141 -25.788 1.00 52.14 H new ATOM 599 N ILE A 36 -21.029 -13.517 -22.564 1.00 33.12 N ATOM 600 CA ILE A 36 -20.941 -14.676 -21.684 1.00 75.23 C ATOM 601 C ILE A 36 -22.297 -15.358 -21.536 1.00 74.04 C ATOM 602 O ILE A 36 -22.381 -16.583 -21.461 1.00 32.44 O ATOM 603 CB ILE A 36 -20.421 -14.286 -20.288 1.00 41.55 C ATOM 604 CG1 ILE A 36 -19.037 -13.642 -20.398 1.00 11.11 C ATOM 605 CG2 ILE A 36 -20.373 -15.505 -19.380 1.00 74.34 C ATOM 606 CD1 ILE A 36 -18.644 -12.842 -19.176 1.00 33.03 C ATOM 0 H ILE A 36 -20.912 -12.620 -22.093 1.00 33.12 H new ATOM 0 HA ILE A 36 -20.236 -15.368 -22.145 1.00 75.23 H new ATOM 0 HB ILE A 36 -21.106 -13.560 -19.851 1.00 41.55 H new ATOM 0 HG12 ILE A 36 -18.294 -14.422 -20.566 1.00 11.11 H new ATOM 0 HG13 ILE A 36 -19.017 -12.990 -21.271 1.00 11.11 H new ATOM 0 HG21 ILE A 36 -20.003 -15.212 -18.397 1.00 74.34 H new ATOM 0 HG22 ILE A 36 -21.374 -15.925 -19.281 1.00 74.34 H new ATOM 0 HG23 ILE A 36 -19.707 -16.253 -19.810 1.00 74.34 H new ATOM 0 HD11 ILE A 36 -17.652 -12.415 -19.324 1.00 33.03 H new ATOM 0 HD12 ILE A 36 -19.365 -12.040 -19.019 1.00 33.03 H new ATOM 0 HD13 ILE A 36 -18.631 -13.494 -18.303 1.00 33.03 H new ATOM 618 N GLN A 37 -23.356 -14.555 -21.498 1.00 31.51 N ATOM 619 CA GLN A 37 -24.709 -15.082 -21.360 1.00 62.24 C ATOM 620 C GLN A 37 -25.104 -15.896 -22.588 1.00 45.15 C ATOM 621 O GLN A 37 -25.762 -16.929 -22.474 1.00 22.43 O ATOM 622 CB GLN A 37 -25.704 -13.940 -21.149 1.00 34.30 C ATOM 623 CG GLN A 37 -25.816 -13.491 -19.701 1.00 51.11 C ATOM 624 CD GLN A 37 -26.660 -12.242 -19.541 1.00 51.22 C ATOM 625 OE1 GLN A 37 -27.671 -12.248 -18.838 1.00 51.53 O ATOM 626 NE2 GLN A 37 -26.249 -11.161 -20.194 1.00 64.32 N ATOM 0 H GLN A 37 -23.303 -13.538 -21.561 1.00 31.51 H new ATOM 0 HA GLN A 37 -24.730 -15.738 -20.490 1.00 62.24 H new ATOM 0 HB2 GLN A 37 -25.404 -13.090 -21.762 1.00 34.30 H new ATOM 0 HB3 GLN A 37 -26.687 -14.256 -21.500 1.00 34.30 H new ATOM 0 HG2 GLN A 37 -26.249 -14.296 -19.107 1.00 51.11 H new ATOM 0 HG3 GLN A 37 -24.818 -13.304 -19.304 1.00 51.11 H new ATOM 0 HE21 GLN A 37 -25.405 -11.201 -20.766 1.00 64.32 H new ATOM 0 HE22 GLN A 37 -26.777 -10.291 -20.124 1.00 64.32 H new ATOM 635 N GLN A 38 -24.697 -15.422 -23.762 1.00 32.11 N ATOM 636 CA GLN A 38 -25.010 -16.106 -25.011 1.00 51.11 C ATOM 637 C GLN A 38 -24.177 -17.375 -25.160 1.00 53.13 C ATOM 638 O GLN A 38 -24.717 -18.468 -25.331 1.00 70.24 O ATOM 639 CB GLN A 38 -24.764 -15.177 -26.201 1.00 64.12 C ATOM 640 CG GLN A 38 -25.703 -13.983 -26.245 1.00 40.34 C ATOM 641 CD GLN A 38 -26.977 -14.270 -27.016 1.00 24.12 C ATOM 642 OE1 GLN A 38 -27.865 -15.056 -26.419 1.00 73.01 O flip ATOM 643 NE2 GLN A 38 -27.160 -13.791 -28.135 1.00 60.42 N flip ATOM 0 H GLN A 38 -24.150 -14.568 -23.874 1.00 32.11 H new ATOM 0 HA GLN A 38 -26.063 -16.385 -24.989 1.00 51.11 H new ATOM 0 HB2 GLN A 38 -23.735 -14.818 -26.165 1.00 64.12 H new ATOM 0 HB3 GLN A 38 -24.871 -15.747 -27.124 1.00 64.12 H new ATOM 0 HG2 GLN A 38 -25.958 -13.688 -25.227 1.00 40.34 H new ATOM 0 HG3 GLN A 38 -25.189 -13.138 -26.702 1.00 40.34 H new ATOM 0 HE21 GLN A 38 -26.450 -13.192 -28.556 1.00 60.42 H new ATOM 0 HE22 GLN A 38 -28.022 -13.993 -28.642 1.00 60.42 H new ATOM 652 N LYS A 39 -22.859 -17.223 -25.095 1.00 10.51 N ATOM 653 CA LYS A 39 -21.950 -18.356 -25.222 1.00 11.43 C ATOM 654 C LYS A 39 -22.293 -19.444 -24.209 1.00 42.14 C ATOM 655 O LYS A 39 -22.101 -20.632 -24.471 1.00 25.10 O ATOM 656 CB LYS A 39 -20.503 -17.899 -25.026 1.00 23.15 C ATOM 657 CG LYS A 39 -20.135 -17.650 -23.573 1.00 20.30 C ATOM 658 CD LYS A 39 -18.752 -17.034 -23.446 1.00 22.25 C ATOM 659 CE LYS A 39 -17.659 -18.071 -23.652 1.00 25.44 C ATOM 660 NZ LYS A 39 -17.629 -19.072 -22.549 1.00 65.12 N ATOM 0 H LYS A 39 -22.396 -16.325 -24.955 1.00 10.51 H new ATOM 0 HA LYS A 39 -22.061 -18.769 -26.224 1.00 11.43 H new ATOM 0 HB2 LYS A 39 -19.833 -18.654 -25.437 1.00 23.15 H new ATOM 0 HB3 LYS A 39 -20.339 -16.984 -25.595 1.00 23.15 H new ATOM 0 HG2 LYS A 39 -20.872 -16.988 -23.118 1.00 20.30 H new ATOM 0 HG3 LYS A 39 -20.168 -18.590 -23.022 1.00 20.30 H new ATOM 0 HD2 LYS A 39 -18.640 -16.235 -24.179 1.00 22.25 H new ATOM 0 HD3 LYS A 39 -18.644 -16.580 -22.461 1.00 22.25 H new ATOM 0 HE2 LYS A 39 -17.817 -18.582 -24.602 1.00 25.44 H new ATOM 0 HE3 LYS A 39 -16.692 -17.572 -23.716 1.00 25.44 H new ATOM 0 HZ1 LYS A 39 -16.707 -19.552 -22.541 1.00 65.12 H new ATOM 0 HZ2 LYS A 39 -17.776 -18.590 -21.639 1.00 65.12 H new ATOM 0 HZ3 LYS A 39 -18.383 -19.773 -22.696 1.00 65.12 H new ATOM 674 N LEU A 40 -22.802 -19.031 -23.054 1.00 31.41 N ATOM 675 CA LEU A 40 -23.173 -19.972 -22.002 1.00 55.23 C ATOM 676 C LEU A 40 -24.646 -20.355 -22.109 1.00 40.24 C ATOM 677 O LEU A 40 -25.098 -21.310 -21.477 1.00 4.14 O ATOM 678 CB LEU A 40 -22.891 -19.366 -20.626 1.00 71.13 C ATOM 679 CG LEU A 40 -21.421 -19.107 -20.296 1.00 2.01 C ATOM 680 CD1 LEU A 40 -21.281 -18.537 -18.893 1.00 14.20 C ATOM 681 CD2 LEU A 40 -20.609 -20.386 -20.437 1.00 31.43 C ATOM 0 H LEU A 40 -22.967 -18.052 -22.822 1.00 31.41 H new ATOM 0 HA LEU A 40 -22.572 -20.873 -22.126 1.00 55.23 H new ATOM 0 HB2 LEU A 40 -23.432 -18.423 -20.549 1.00 71.13 H new ATOM 0 HB3 LEU A 40 -23.301 -20.032 -19.867 1.00 71.13 H new ATOM 0 HG LEU A 40 -21.034 -18.374 -21.004 1.00 2.01 H new ATOM 0 HD11 LEU A 40 -20.228 -18.359 -18.676 1.00 14.20 H new ATOM 0 HD12 LEU A 40 -21.829 -17.597 -18.826 1.00 14.20 H new ATOM 0 HD13 LEU A 40 -21.686 -19.246 -18.170 1.00 14.20 H new ATOM 0 HD21 LEU A 40 -19.565 -20.182 -20.198 1.00 31.43 H new ATOM 0 HD22 LEU A 40 -20.997 -21.141 -19.753 1.00 31.43 H new ATOM 0 HD23 LEU A 40 -20.682 -20.752 -21.461 1.00 31.43 H new ATOM 693 N HIS A 41 -25.390 -19.605 -22.916 1.00 51.12 N ATOM 694 CA HIS A 41 -26.812 -19.868 -23.109 1.00 1.32 C ATOM 695 C HIS A 41 -27.577 -19.703 -21.799 1.00 52.43 C ATOM 696 O HIS A 41 -28.567 -20.394 -21.555 1.00 3.41 O ATOM 697 CB HIS A 41 -27.021 -21.278 -23.661 1.00 31.11 C ATOM 698 CG HIS A 41 -26.193 -21.576 -24.873 1.00 11.21 C ATOM 699 ND1 HIS A 41 -24.858 -21.751 -25.012 1.00 0.22 N flip ATOM 700 CD2 HIS A 41 -26.731 -21.725 -26.134 1.00 11.51 C flip ATOM 701 CE1 HIS A 41 -24.616 -22.001 -26.340 1.00 21.03 C flip ATOM 702 NE2 HIS A 41 -25.763 -21.980 -26.996 1.00 53.44 N flip ATOM 0 H HIS A 41 -25.032 -18.811 -23.447 1.00 51.12 H new ATOM 0 HA HIS A 41 -27.196 -19.144 -23.828 1.00 1.32 H new ATOM 0 HB2 HIS A 41 -26.784 -22.003 -22.882 1.00 31.11 H new ATOM 0 HB3 HIS A 41 -28.074 -21.410 -23.909 1.00 31.11 H new ATOM 0 HD2 HIS A 41 -27.780 -21.646 -26.379 1.00 11.51 H new ATOM 0 HE1 HIS A 41 -23.646 -22.185 -26.778 1.00 21.03 H new ATOM 0 HE2 HIS A 41 -25.881 -22.134 -27.997 1.00 53.44 H new ATOM 711 N CYS A 42 -27.112 -18.783 -20.960 1.00 33.42 N ATOM 712 CA CYS A 42 -27.751 -18.528 -19.675 1.00 13.24 C ATOM 713 C CYS A 42 -28.143 -17.059 -19.544 1.00 42.44 C ATOM 714 O CYS A 42 -27.678 -16.211 -20.307 1.00 55.14 O ATOM 715 CB CYS A 42 -26.816 -18.921 -18.529 1.00 73.23 C ATOM 716 SG CYS A 42 -25.247 -17.997 -18.500 1.00 64.32 S ATOM 0 H CYS A 42 -26.295 -18.202 -21.147 1.00 33.42 H new ATOM 0 HA CYS A 42 -28.655 -19.134 -19.621 1.00 13.24 H new ATOM 0 HB2 CYS A 42 -27.334 -18.766 -17.582 1.00 73.23 H new ATOM 0 HB3 CYS A 42 -26.597 -19.986 -18.602 1.00 73.23 H new ATOM 721 N CYS A 43 -29.000 -16.764 -18.572 1.00 62.45 N ATOM 722 CA CYS A 43 -29.455 -15.399 -18.341 1.00 1.10 C ATOM 723 C CYS A 43 -29.154 -14.960 -16.911 1.00 23.33 C ATOM 724 O CYS A 43 -29.321 -15.730 -15.966 1.00 25.31 O ATOM 725 CB CYS A 43 -30.956 -15.286 -18.615 1.00 42.25 C ATOM 726 SG CYS A 43 -31.635 -13.615 -18.358 1.00 20.25 S ATOM 0 H CYS A 43 -29.393 -17.453 -17.931 1.00 62.45 H new ATOM 0 HA CYS A 43 -28.917 -14.743 -19.025 1.00 1.10 H new ATOM 0 HB2 CYS A 43 -31.151 -15.592 -19.643 1.00 42.25 H new ATOM 0 HB3 CYS A 43 -31.486 -15.985 -17.969 1.00 42.25 H new ATOM 731 N GLY A 44 -28.709 -13.716 -16.760 1.00 61.32 N ATOM 732 CA GLY A 44 -28.392 -13.196 -15.443 1.00 23.20 C ATOM 733 C GLY A 44 -27.312 -14.001 -14.746 1.00 75.04 C ATOM 734 O GLY A 44 -26.946 -15.085 -15.201 1.00 12.55 O ATOM 0 H GLY A 44 -28.562 -13.059 -17.527 1.00 61.32 H new ATOM 0 HA2 GLY A 44 -28.067 -12.160 -15.534 1.00 23.20 H new ATOM 0 HA3 GLY A 44 -29.293 -13.195 -14.830 1.00 23.20 H new ATOM 738 N ALA A 45 -26.801 -13.470 -13.641 1.00 3.40 N ATOM 739 CA ALA A 45 -25.757 -14.146 -12.880 1.00 53.15 C ATOM 740 C ALA A 45 -26.288 -15.421 -12.234 1.00 11.34 C ATOM 741 O ALA A 45 -25.871 -16.525 -12.582 1.00 61.24 O ATOM 742 CB ALA A 45 -25.187 -13.213 -11.823 1.00 25.15 C ATOM 0 H ALA A 45 -27.093 -12.573 -13.252 1.00 3.40 H new ATOM 0 HA ALA A 45 -24.960 -14.424 -13.570 1.00 53.15 H new ATOM 0 HB1 ALA A 45 -24.409 -13.731 -11.262 1.00 25.15 H new ATOM 0 HB2 ALA A 45 -24.762 -12.333 -12.306 1.00 25.15 H new ATOM 0 HB3 ALA A 45 -25.981 -12.906 -11.142 1.00 25.15 H new ATOM 748 N ASP A 46 -27.209 -15.260 -11.290 1.00 73.30 N ATOM 749 CA ASP A 46 -27.798 -16.399 -10.594 1.00 64.04 C ATOM 750 C ASP A 46 -29.173 -16.732 -11.164 1.00 12.04 C ATOM 751 O ASP A 46 -29.621 -17.877 -11.103 1.00 24.13 O ATOM 752 CB ASP A 46 -27.908 -16.107 -9.097 1.00 74.41 C ATOM 753 CG ASP A 46 -29.288 -15.618 -8.703 1.00 51.22 C ATOM 754 OD1 ASP A 46 -30.177 -16.466 -8.478 1.00 11.22 O ATOM 755 OD2 ASP A 46 -29.479 -14.387 -8.619 1.00 43.34 O ATOM 0 H ASP A 46 -27.564 -14.352 -10.989 1.00 73.30 H new ATOM 0 HA ASP A 46 -27.146 -17.260 -10.741 1.00 64.04 H new ATOM 0 HB2 ASP A 46 -27.672 -17.011 -8.535 1.00 74.41 H new ATOM 0 HB3 ASP A 46 -27.167 -15.357 -8.821 1.00 74.41 H new ATOM 760 N SER A 47 -29.840 -15.723 -11.716 1.00 24.13 N ATOM 761 CA SER A 47 -31.167 -15.908 -12.291 1.00 44.44 C ATOM 762 C SER A 47 -31.534 -14.736 -13.197 1.00 4.21 C ATOM 763 O SER A 47 -30.938 -13.660 -13.135 1.00 51.00 O ATOM 764 CB SER A 47 -32.210 -16.057 -11.183 1.00 14.41 C ATOM 765 OG SER A 47 -32.555 -17.417 -10.986 1.00 60.15 O ATOM 0 H SER A 47 -29.483 -14.769 -11.777 1.00 24.13 H new ATOM 0 HA SER A 47 -31.153 -16.818 -12.891 1.00 44.44 H new ATOM 0 HB2 SER A 47 -31.821 -15.639 -10.255 1.00 14.41 H new ATOM 0 HB3 SER A 47 -33.102 -15.486 -11.440 1.00 14.41 H new ATOM 0 HG SER A 47 -31.739 -17.957 -10.934 1.00 60.15 H new ATOM 771 N PRO A 48 -32.539 -14.948 -14.059 1.00 43.24 N ATOM 772 CA PRO A 48 -33.009 -13.922 -14.994 1.00 52.44 C ATOM 773 C PRO A 48 -33.728 -12.778 -14.287 1.00 3.04 C ATOM 774 O PRO A 48 -33.787 -11.658 -14.795 1.00 64.32 O ATOM 775 CB PRO A 48 -33.980 -14.684 -15.899 1.00 70.42 C ATOM 776 CG PRO A 48 -34.452 -15.828 -15.070 1.00 23.34 C ATOM 777 CD PRO A 48 -33.294 -16.206 -14.188 1.00 4.42 C ATOM 0 HA PRO A 48 -32.184 -13.452 -15.530 1.00 52.44 H new ATOM 0 HB2 PRO A 48 -34.811 -14.051 -16.210 1.00 70.42 H new ATOM 0 HB3 PRO A 48 -33.486 -15.030 -16.807 1.00 70.42 H new ATOM 0 HG2 PRO A 48 -35.320 -15.546 -14.474 1.00 23.34 H new ATOM 0 HG3 PRO A 48 -34.754 -16.666 -15.698 1.00 23.34 H new ATOM 0 HD2 PRO A 48 -33.630 -16.574 -13.219 1.00 4.42 H new ATOM 0 HD3 PRO A 48 -32.688 -16.994 -14.636 1.00 4.42 H new ATOM 785 N LYS A 49 -34.273 -13.066 -13.110 1.00 30.33 N ATOM 786 CA LYS A 49 -34.987 -12.062 -12.330 1.00 23.01 C ATOM 787 C LYS A 49 -34.046 -10.944 -11.892 1.00 51.21 C ATOM 788 O LYS A 49 -34.488 -9.847 -11.551 1.00 2.55 O ATOM 789 CB LYS A 49 -35.636 -12.706 -11.103 1.00 74.01 C ATOM 790 CG LYS A 49 -36.730 -13.703 -11.447 1.00 1.43 C ATOM 791 CD LYS A 49 -38.027 -13.002 -11.815 1.00 61.24 C ATOM 792 CE LYS A 49 -39.028 -13.970 -12.428 1.00 11.40 C ATOM 793 NZ LYS A 49 -38.588 -14.449 -13.767 1.00 62.33 N ATOM 0 H LYS A 49 -34.234 -13.988 -12.675 1.00 30.33 H new ATOM 0 HA LYS A 49 -35.765 -11.633 -12.962 1.00 23.01 H new ATOM 0 HB2 LYS A 49 -34.867 -13.210 -10.518 1.00 74.01 H new ATOM 0 HB3 LYS A 49 -36.055 -11.923 -10.471 1.00 74.01 H new ATOM 0 HG2 LYS A 49 -36.405 -14.329 -12.278 1.00 1.43 H new ATOM 0 HG3 LYS A 49 -36.901 -14.364 -10.598 1.00 1.43 H new ATOM 0 HD2 LYS A 49 -38.460 -12.544 -10.926 1.00 61.24 H new ATOM 0 HD3 LYS A 49 -37.820 -12.196 -12.519 1.00 61.24 H new ATOM 0 HE2 LYS A 49 -39.162 -14.823 -11.763 1.00 11.40 H new ATOM 0 HE3 LYS A 49 -39.998 -13.481 -12.518 1.00 11.40 H new ATOM 0 HZ1 LYS A 49 -39.394 -14.878 -14.264 1.00 62.33 H new ATOM 0 HZ2 LYS A 49 -38.226 -13.647 -14.321 1.00 62.33 H new ATOM 0 HZ3 LYS A 49 -37.835 -15.158 -13.652 1.00 62.33 H new ATOM 807 N ASP A 50 -32.749 -11.229 -11.906 1.00 2.11 N ATOM 808 CA ASP A 50 -31.746 -10.246 -11.513 1.00 23.13 C ATOM 809 C ASP A 50 -31.897 -8.961 -12.321 1.00 73.53 C ATOM 810 O ASP A 50 -31.533 -7.879 -11.861 1.00 24.42 O ATOM 811 CB ASP A 50 -30.340 -10.818 -11.700 1.00 24.25 C ATOM 812 CG ASP A 50 -30.070 -12.000 -10.789 1.00 63.02 C ATOM 813 OD1 ASP A 50 -30.796 -12.153 -9.785 1.00 70.12 O ATOM 814 OD2 ASP A 50 -29.132 -12.772 -11.080 1.00 45.43 O ATOM 0 H ASP A 50 -32.367 -12.133 -12.185 1.00 2.11 H new ATOM 0 HA ASP A 50 -31.898 -10.011 -10.460 1.00 23.13 H new ATOM 0 HB2 ASP A 50 -30.211 -11.126 -12.738 1.00 24.25 H new ATOM 0 HB3 ASP A 50 -29.604 -10.037 -11.505 1.00 24.25 H new ATOM 819 N TYR A 51 -32.436 -9.089 -13.529 1.00 13.24 N ATOM 820 CA TYR A 51 -32.633 -7.939 -14.403 1.00 42.31 C ATOM 821 C TYR A 51 -34.021 -7.337 -14.208 1.00 1.55 C ATOM 822 O TYR A 51 -34.260 -6.178 -14.544 1.00 13.44 O ATOM 823 CB TYR A 51 -32.442 -8.345 -15.865 1.00 53.14 C ATOM 824 CG TYR A 51 -31.016 -8.710 -16.212 1.00 35.35 C ATOM 825 CD1 TYR A 51 -29.985 -7.794 -16.048 1.00 42.11 C ATOM 826 CD2 TYR A 51 -30.701 -9.971 -16.703 1.00 10.02 C ATOM 827 CE1 TYR A 51 -28.681 -8.123 -16.364 1.00 4.14 C ATOM 828 CE2 TYR A 51 -29.400 -10.309 -17.020 1.00 23.15 C ATOM 829 CZ TYR A 51 -28.393 -9.382 -16.848 1.00 51.35 C ATOM 830 OH TYR A 51 -27.096 -9.714 -17.164 1.00 64.22 O ATOM 0 H TYR A 51 -32.744 -9.977 -13.925 1.00 13.24 H new ATOM 0 HA TYR A 51 -31.890 -7.185 -14.142 1.00 42.31 H new ATOM 0 HB2 TYR A 51 -33.089 -9.194 -16.085 1.00 53.14 H new ATOM 0 HB3 TYR A 51 -32.764 -7.524 -16.506 1.00 53.14 H new ATOM 0 HD1 TYR A 51 -30.206 -6.808 -15.667 1.00 42.11 H new ATOM 0 HD2 TYR A 51 -31.487 -10.699 -16.839 1.00 10.02 H new ATOM 0 HE1 TYR A 51 -27.891 -7.398 -16.233 1.00 4.14 H new ATOM 0 HE2 TYR A 51 -29.172 -11.294 -17.401 1.00 23.15 H new ATOM 0 HH TYR A 51 -26.797 -10.449 -16.589 1.00 64.22 H new ATOM 840 N GLY A 52 -34.933 -8.134 -13.660 1.00 72.11 N ATOM 841 CA GLY A 52 -36.286 -7.664 -13.428 1.00 13.40 C ATOM 842 C GLY A 52 -37.293 -8.312 -14.358 1.00 1.15 C ATOM 843 O GLY A 52 -37.607 -9.493 -14.215 1.00 70.03 O ATOM 0 H GLY A 52 -34.759 -9.097 -13.373 1.00 72.11 H new ATOM 0 HA2 GLY A 52 -36.566 -7.869 -12.395 1.00 13.40 H new ATOM 0 HA3 GLY A 52 -36.319 -6.582 -13.559 1.00 13.40 H new ATOM 847 N GLU A 53 -37.801 -7.537 -15.311 1.00 1.34 N ATOM 848 CA GLU A 53 -38.780 -8.043 -16.265 1.00 71.11 C ATOM 849 C GLU A 53 -38.367 -7.711 -17.696 1.00 61.52 C ATOM 850 O GLU A 53 -39.084 -8.019 -18.647 1.00 41.23 O ATOM 851 CB GLU A 53 -40.162 -7.455 -15.972 1.00 70.03 C ATOM 852 CG GLU A 53 -40.140 -5.963 -15.685 1.00 72.13 C ATOM 853 CD GLU A 53 -41.443 -5.279 -16.052 1.00 60.33 C ATOM 854 OE1 GLU A 53 -42.353 -5.238 -15.199 1.00 31.05 O ATOM 855 OE2 GLU A 53 -41.552 -4.785 -17.194 1.00 64.12 O ATOM 0 H GLU A 53 -37.551 -6.557 -15.443 1.00 1.34 H new ATOM 0 HA GLU A 53 -38.825 -9.127 -16.160 1.00 71.11 H new ATOM 0 HB2 GLU A 53 -40.816 -7.643 -16.824 1.00 70.03 H new ATOM 0 HB3 GLU A 53 -40.595 -7.975 -15.117 1.00 70.03 H new ATOM 0 HG2 GLU A 53 -39.936 -5.803 -14.626 1.00 72.13 H new ATOM 0 HG3 GLU A 53 -39.323 -5.502 -16.240 1.00 72.13 H new ATOM 862 N ASN A 54 -37.205 -7.081 -17.839 1.00 75.45 N ATOM 863 CA ASN A 54 -36.696 -6.706 -19.154 1.00 35.52 C ATOM 864 C ASN A 54 -35.202 -6.994 -19.261 1.00 20.14 C ATOM 865 O ASN A 54 -34.368 -6.089 -19.243 1.00 45.01 O ATOM 866 CB ASN A 54 -36.962 -5.224 -19.423 1.00 14.13 C ATOM 867 CG ASN A 54 -38.232 -4.733 -18.753 1.00 64.51 C ATOM 868 OD1 ASN A 54 -38.197 -3.826 -17.922 1.00 33.12 O ATOM 869 ND2 ASN A 54 -39.360 -5.333 -19.113 1.00 72.43 N ATOM 0 H ASN A 54 -36.599 -6.820 -17.062 1.00 75.45 H new ATOM 0 HA ASN A 54 -37.217 -7.303 -19.902 1.00 35.52 H new ATOM 0 HB2 ASN A 54 -36.116 -4.636 -19.068 1.00 14.13 H new ATOM 0 HB3 ASN A 54 -37.035 -5.060 -20.498 1.00 14.13 H new ATOM 0 HD21 ASN A 54 -40.246 -5.046 -18.696 1.00 72.43 H new ATOM 0 HD22 ASN A 54 -39.341 -6.081 -19.806 1.00 72.43 H new ATOM 876 N PRO A 55 -34.854 -8.285 -19.375 1.00 14.53 N ATOM 877 CA PRO A 55 -33.460 -8.722 -19.488 1.00 42.30 C ATOM 878 C PRO A 55 -32.838 -8.335 -20.825 1.00 43.53 C ATOM 879 O PRO A 55 -33.525 -7.931 -21.763 1.00 52.14 O ATOM 880 CB PRO A 55 -33.554 -10.244 -19.363 1.00 72.41 C ATOM 881 CG PRO A 55 -34.934 -10.577 -19.816 1.00 11.24 C ATOM 882 CD PRO A 55 -35.796 -9.416 -19.403 1.00 33.25 C ATOM 0 HA PRO A 55 -32.825 -8.257 -18.734 1.00 42.30 H new ATOM 0 HB2 PRO A 55 -32.804 -10.739 -19.980 1.00 72.41 H new ATOM 0 HB3 PRO A 55 -33.385 -10.568 -18.336 1.00 72.41 H new ATOM 0 HG2 PRO A 55 -34.966 -10.722 -20.896 1.00 11.24 H new ATOM 0 HG3 PRO A 55 -35.282 -11.504 -19.359 1.00 11.24 H new ATOM 0 HD2 PRO A 55 -36.607 -9.246 -20.111 1.00 33.25 H new ATOM 0 HD3 PRO A 55 -36.254 -9.582 -18.428 1.00 33.25 H new ATOM 890 N PRO A 56 -31.505 -8.460 -20.917 1.00 55.34 N ATOM 891 CA PRO A 56 -30.762 -8.129 -22.137 1.00 3.35 C ATOM 892 C PRO A 56 -31.031 -9.117 -23.266 1.00 50.22 C ATOM 893 O PRO A 56 -31.482 -10.238 -23.030 1.00 62.45 O ATOM 894 CB PRO A 56 -29.299 -8.210 -21.693 1.00 10.44 C ATOM 895 CG PRO A 56 -29.306 -9.146 -20.534 1.00 10.11 C ATOM 896 CD PRO A 56 -30.623 -8.935 -19.839 1.00 4.32 C ATOM 0 HA PRO A 56 -31.048 -7.156 -22.537 1.00 3.35 H new ATOM 0 HB2 PRO A 56 -28.661 -8.579 -22.496 1.00 10.44 H new ATOM 0 HB3 PRO A 56 -28.917 -7.230 -21.408 1.00 10.44 H new ATOM 0 HG2 PRO A 56 -29.201 -10.179 -20.866 1.00 10.11 H new ATOM 0 HG3 PRO A 56 -28.473 -8.941 -19.862 1.00 10.11 H new ATOM 0 HD2 PRO A 56 -30.994 -9.858 -19.393 1.00 4.32 H new ATOM 0 HD3 PRO A 56 -30.541 -8.203 -19.035 1.00 4.32 H new ATOM 904 N THR A 57 -30.752 -8.694 -24.495 1.00 64.14 N ATOM 905 CA THR A 57 -30.964 -9.542 -25.662 1.00 13.52 C ATOM 906 C THR A 57 -30.089 -10.788 -25.603 1.00 33.45 C ATOM 907 O THR A 57 -30.348 -11.773 -26.294 1.00 70.31 O ATOM 908 CB THR A 57 -30.669 -8.782 -26.969 1.00 65.41 C ATOM 909 OG1 THR A 57 -30.886 -9.641 -28.094 1.00 55.02 O ATOM 910 CG2 THR A 57 -29.236 -8.270 -26.985 1.00 71.54 C ATOM 0 H THR A 57 -30.379 -7.769 -24.708 1.00 64.14 H new ATOM 0 HA THR A 57 -32.013 -9.838 -25.651 1.00 13.52 H new ATOM 0 HB THR A 57 -31.344 -7.928 -27.028 1.00 65.41 H new ATOM 0 HG1 THR A 57 -30.698 -9.150 -28.921 1.00 55.02 H new ATOM 0 HG21 THR A 57 -29.051 -7.737 -27.917 1.00 71.54 H new ATOM 0 HG22 THR A 57 -29.082 -7.594 -26.144 1.00 71.54 H new ATOM 0 HG23 THR A 57 -28.548 -9.112 -26.905 1.00 71.54 H new ATOM 918 N SER A 58 -29.053 -10.740 -24.772 1.00 10.44 N ATOM 919 CA SER A 58 -28.138 -11.865 -24.624 1.00 64.04 C ATOM 920 C SER A 58 -28.797 -13.004 -23.853 1.00 61.31 C ATOM 921 O SER A 58 -28.319 -14.139 -23.869 1.00 61.13 O ATOM 922 CB SER A 58 -26.861 -11.421 -23.908 1.00 42.11 C ATOM 923 OG SER A 58 -27.032 -10.152 -23.300 1.00 71.40 O ATOM 0 H SER A 58 -28.826 -9.933 -24.191 1.00 10.44 H new ATOM 0 HA SER A 58 -27.881 -12.225 -25.620 1.00 64.04 H new ATOM 0 HB2 SER A 58 -26.590 -12.157 -23.151 1.00 42.11 H new ATOM 0 HB3 SER A 58 -26.037 -11.378 -24.620 1.00 42.11 H new ATOM 0 HG SER A 58 -26.781 -9.449 -23.935 1.00 71.40 H new ATOM 929 N CYS A 59 -29.898 -12.693 -23.178 1.00 32.54 N ATOM 930 CA CYS A 59 -30.625 -13.689 -22.399 1.00 2.11 C ATOM 931 C CYS A 59 -31.498 -14.555 -23.302 1.00 53.33 C ATOM 932 O CYS A 59 -31.903 -15.654 -22.924 1.00 24.01 O ATOM 933 CB CYS A 59 -31.490 -13.005 -21.338 1.00 64.20 C ATOM 934 SG CYS A 59 -30.593 -12.577 -19.811 1.00 51.42 S ATOM 0 H CYS A 59 -30.307 -11.759 -23.154 1.00 32.54 H new ATOM 0 HA CYS A 59 -29.895 -14.331 -21.905 1.00 2.11 H new ATOM 0 HB2 CYS A 59 -31.917 -12.096 -21.763 1.00 64.20 H new ATOM 0 HB3 CYS A 59 -32.323 -13.661 -21.086 1.00 64.20 H new ATOM 939 N SER A 60 -31.785 -14.051 -24.498 1.00 52.53 N ATOM 940 CA SER A 60 -32.613 -14.775 -25.455 1.00 34.52 C ATOM 941 C SER A 60 -31.890 -14.935 -26.789 1.00 10.34 C ATOM 942 O SER A 60 -31.010 -14.144 -27.130 1.00 13.21 O ATOM 943 CB SER A 60 -33.942 -14.047 -25.666 1.00 31.10 C ATOM 944 OG SER A 60 -33.761 -12.642 -25.650 1.00 14.34 O ATOM 0 H SER A 60 -31.456 -13.143 -24.827 1.00 52.53 H new ATOM 0 HA SER A 60 -32.811 -15.767 -25.048 1.00 34.52 H new ATOM 0 HB2 SER A 60 -34.379 -14.350 -26.617 1.00 31.10 H new ATOM 0 HB3 SER A 60 -34.646 -14.335 -24.886 1.00 31.10 H new ATOM 0 HG SER A 60 -34.624 -12.199 -25.789 1.00 14.34 H new ATOM 950 N LYS A 61 -32.267 -15.964 -27.540 1.00 13.32 N ATOM 951 CA LYS A 61 -31.657 -16.229 -28.837 1.00 53.44 C ATOM 952 C LYS A 61 -32.594 -17.044 -29.723 1.00 32.23 C ATOM 953 O LYS A 61 -33.169 -18.040 -29.283 1.00 25.42 O ATOM 954 CB LYS A 61 -30.332 -16.972 -28.659 1.00 4.14 C ATOM 955 CG LYS A 61 -29.314 -16.671 -29.745 1.00 51.24 C ATOM 956 CD LYS A 61 -28.535 -17.914 -30.139 1.00 64.24 C ATOM 957 CE LYS A 61 -29.256 -18.706 -31.219 1.00 54.43 C ATOM 958 NZ LYS A 61 -28.731 -20.095 -31.334 1.00 15.54 N ATOM 0 H LYS A 61 -32.993 -16.629 -27.272 1.00 13.32 H new ATOM 0 HA LYS A 61 -31.467 -15.272 -29.323 1.00 53.44 H new ATOM 0 HB2 LYS A 61 -29.906 -16.710 -27.691 1.00 4.14 H new ATOM 0 HB3 LYS A 61 -30.526 -18.044 -28.642 1.00 4.14 H new ATOM 0 HG2 LYS A 61 -29.823 -16.267 -30.620 1.00 51.24 H new ATOM 0 HG3 LYS A 61 -28.624 -15.904 -29.395 1.00 51.24 H new ATOM 0 HD2 LYS A 61 -27.546 -17.627 -30.496 1.00 64.24 H new ATOM 0 HD3 LYS A 61 -28.386 -18.544 -29.262 1.00 64.24 H new ATOM 0 HE2 LYS A 61 -30.322 -18.738 -30.995 1.00 54.43 H new ATOM 0 HE3 LYS A 61 -29.147 -18.196 -32.176 1.00 54.43 H new ATOM 0 HZ1 LYS A 61 -29.249 -20.601 -32.081 1.00 15.54 H new ATOM 0 HZ2 LYS A 61 -27.719 -20.065 -31.573 1.00 15.54 H new ATOM 0 HZ3 LYS A 61 -28.858 -20.590 -30.428 1.00 15.54 H new ATOM 972 N ASP A 62 -32.743 -16.616 -30.971 1.00 64.14 N ATOM 973 CA ASP A 62 -33.608 -17.309 -31.919 1.00 41.53 C ATOM 974 C ASP A 62 -35.050 -17.330 -31.423 1.00 32.10 C ATOM 975 O ASP A 62 -35.821 -18.226 -31.763 1.00 72.34 O ATOM 976 CB ASP A 62 -33.112 -18.738 -32.146 1.00 1.54 C ATOM 977 CG ASP A 62 -33.643 -19.338 -33.432 1.00 55.12 C ATOM 978 OD1 ASP A 62 -33.605 -18.645 -34.471 1.00 23.50 O ATOM 979 OD2 ASP A 62 -34.097 -20.501 -33.401 1.00 15.44 O ATOM 0 H ASP A 62 -32.276 -15.792 -31.350 1.00 64.14 H new ATOM 0 HA ASP A 62 -33.576 -16.768 -32.865 1.00 41.53 H new ATOM 0 HB2 ASP A 62 -32.022 -18.742 -32.170 1.00 1.54 H new ATOM 0 HB3 ASP A 62 -33.415 -19.362 -31.305 1.00 1.54 H new ATOM 984 N GLY A 63 -35.408 -16.337 -30.615 1.00 3.34 N ATOM 985 CA GLY A 63 -36.756 -16.261 -30.083 1.00 71.34 C ATOM 986 C GLY A 63 -36.975 -17.208 -28.920 1.00 4.23 C ATOM 987 O GLY A 63 -38.100 -17.633 -28.659 1.00 21.41 O ATOM 0 H GLY A 63 -34.788 -15.583 -30.319 1.00 3.34 H new ATOM 0 HA2 GLY A 63 -36.958 -15.240 -29.759 1.00 71.34 H new ATOM 0 HA3 GLY A 63 -37.469 -16.492 -30.874 1.00 71.34 H new ATOM 991 N VAL A 64 -35.895 -17.540 -28.218 1.00 73.15 N ATOM 992 CA VAL A 64 -35.974 -18.443 -27.076 1.00 63.15 C ATOM 993 C VAL A 64 -35.444 -17.777 -25.812 1.00 24.02 C ATOM 994 O VAL A 64 -34.632 -16.854 -25.879 1.00 15.03 O ATOM 995 CB VAL A 64 -35.182 -19.740 -27.331 1.00 15.11 C ATOM 996 CG1 VAL A 64 -33.726 -19.565 -26.929 1.00 11.44 C ATOM 997 CG2 VAL A 64 -35.814 -20.904 -26.583 1.00 72.32 C ATOM 0 H VAL A 64 -34.956 -17.197 -28.420 1.00 73.15 H new ATOM 0 HA VAL A 64 -37.027 -18.690 -26.939 1.00 63.15 H new ATOM 0 HB VAL A 64 -35.214 -19.962 -28.398 1.00 15.11 H new ATOM 0 HG11 VAL A 64 -33.183 -20.491 -27.116 1.00 11.44 H new ATOM 0 HG12 VAL A 64 -33.282 -18.759 -27.513 1.00 11.44 H new ATOM 0 HG13 VAL A 64 -33.668 -19.319 -25.869 1.00 11.44 H new ATOM 0 HG21 VAL A 64 -35.243 -21.812 -26.774 1.00 72.32 H new ATOM 0 HG22 VAL A 64 -35.813 -20.693 -25.514 1.00 72.32 H new ATOM 0 HG23 VAL A 64 -36.840 -21.042 -26.925 1.00 72.32 H new ATOM 1007 N GLN A 65 -35.907 -18.252 -24.660 1.00 73.24 N ATOM 1008 CA GLN A 65 -35.479 -17.702 -23.380 1.00 13.13 C ATOM 1009 C GLN A 65 -34.681 -18.730 -22.585 1.00 33.12 C ATOM 1010 O GLN A 65 -35.123 -19.864 -22.396 1.00 53.34 O ATOM 1011 CB GLN A 65 -36.691 -17.241 -22.568 1.00 73.21 C ATOM 1012 CG GLN A 65 -36.345 -16.253 -21.466 1.00 55.32 C ATOM 1013 CD GLN A 65 -36.377 -16.882 -20.087 1.00 41.41 C ATOM 1014 OE1 GLN A 65 -37.347 -17.542 -19.715 1.00 73.14 O ATOM 1015 NE2 GLN A 65 -35.312 -16.679 -19.320 1.00 33.44 N ATOM 0 H GLN A 65 -36.578 -19.016 -24.587 1.00 73.24 H new ATOM 0 HA GLN A 65 -34.836 -16.845 -23.579 1.00 13.13 H new ATOM 0 HB2 GLN A 65 -37.416 -16.783 -23.241 1.00 73.21 H new ATOM 0 HB3 GLN A 65 -37.174 -18.112 -22.125 1.00 73.21 H new ATOM 0 HG2 GLN A 65 -35.353 -15.842 -21.651 1.00 55.32 H new ATOM 0 HG3 GLN A 65 -37.047 -15.419 -21.497 1.00 55.32 H new ATOM 0 HE21 GLN A 65 -34.530 -16.125 -19.669 1.00 33.44 H new ATOM 0 HE22 GLN A 65 -35.276 -17.077 -18.382 1.00 33.44 H new ATOM 1024 N PHE A 66 -33.503 -18.327 -22.121 1.00 20.22 N ATOM 1025 CA PHE A 66 -32.642 -19.214 -21.347 1.00 71.21 C ATOM 1026 C PHE A 66 -33.063 -19.238 -19.881 1.00 11.34 C ATOM 1027 O PHE A 66 -32.777 -18.308 -19.125 1.00 32.10 O ATOM 1028 CB PHE A 66 -31.182 -18.772 -21.463 1.00 50.42 C ATOM 1029 CG PHE A 66 -30.671 -18.756 -22.875 1.00 41.15 C ATOM 1030 CD1 PHE A 66 -30.962 -19.797 -23.743 1.00 4.40 C ATOM 1031 CD2 PHE A 66 -29.900 -17.700 -23.336 1.00 34.53 C ATOM 1032 CE1 PHE A 66 -30.492 -19.785 -25.043 1.00 2.13 C ATOM 1033 CE2 PHE A 66 -29.428 -17.683 -24.635 1.00 31.13 C ATOM 1034 CZ PHE A 66 -29.725 -18.726 -25.489 1.00 72.35 C ATOM 0 H PHE A 66 -33.123 -17.392 -22.267 1.00 20.22 H new ATOM 0 HA PHE A 66 -32.743 -20.221 -21.752 1.00 71.21 H new ATOM 0 HB2 PHE A 66 -31.078 -17.775 -21.036 1.00 50.42 H new ATOM 0 HB3 PHE A 66 -30.560 -19.440 -20.868 1.00 50.42 H new ATOM 0 HD1 PHE A 66 -31.562 -20.626 -23.400 1.00 4.40 H new ATOM 0 HD2 PHE A 66 -29.665 -16.881 -22.672 1.00 34.53 H new ATOM 0 HE1 PHE A 66 -30.724 -20.603 -25.709 1.00 2.13 H new ATOM 0 HE2 PHE A 66 -28.828 -16.855 -24.981 1.00 31.13 H new ATOM 0 HZ PHE A 66 -29.358 -18.714 -26.505 1.00 72.35 H new ATOM 1044 N THR A 67 -33.745 -20.308 -19.484 1.00 15.50 N ATOM 1045 CA THR A 67 -34.208 -20.453 -18.110 1.00 10.24 C ATOM 1046 C THR A 67 -33.174 -21.176 -17.255 1.00 5.12 C ATOM 1047 O THR A 67 -33.509 -22.084 -16.495 1.00 42.02 O ATOM 1048 CB THR A 67 -35.540 -21.223 -18.044 1.00 15.23 C ATOM 1049 OG1 THR A 67 -35.352 -22.568 -18.498 1.00 11.42 O ATOM 1050 CG2 THR A 67 -36.603 -20.540 -18.892 1.00 3.22 C ATOM 0 H THR A 67 -33.989 -21.087 -20.095 1.00 15.50 H new ATOM 0 HA THR A 67 -34.359 -19.446 -17.720 1.00 10.24 H new ATOM 0 HB THR A 67 -35.876 -21.234 -17.007 1.00 15.23 H new ATOM 0 HG1 THR A 67 -36.203 -23.051 -18.451 1.00 11.42 H new ATOM 0 HG21 THR A 67 -37.535 -21.102 -18.830 1.00 3.22 H new ATOM 0 HG22 THR A 67 -36.765 -19.527 -18.525 1.00 3.22 H new ATOM 0 HG23 THR A 67 -36.271 -20.501 -19.930 1.00 3.22 H new ATOM 1058 N GLU A 68 -31.915 -20.766 -17.384 1.00 33.51 N ATOM 1059 CA GLU A 68 -30.832 -21.377 -16.622 1.00 51.11 C ATOM 1060 C GLU A 68 -29.885 -20.313 -16.075 1.00 1.00 C ATOM 1061 O GLU A 68 -29.622 -19.305 -16.729 1.00 51.30 O ATOM 1062 CB GLU A 68 -30.057 -22.364 -17.497 1.00 20.41 C ATOM 1063 CG GLU A 68 -30.823 -23.642 -17.798 1.00 43.33 C ATOM 1064 CD GLU A 68 -30.943 -24.549 -16.589 1.00 51.22 C ATOM 1065 OE1 GLU A 68 -30.150 -24.381 -15.639 1.00 53.33 O ATOM 1066 OE2 GLU A 68 -31.831 -25.427 -16.593 1.00 71.03 O ATOM 0 H GLU A 68 -31.621 -20.015 -18.008 1.00 33.51 H new ATOM 0 HA GLU A 68 -31.271 -21.915 -15.782 1.00 51.11 H new ATOM 0 HB2 GLU A 68 -29.796 -21.877 -18.437 1.00 20.41 H new ATOM 0 HB3 GLU A 68 -29.121 -22.620 -17.000 1.00 20.41 H new ATOM 0 HG2 GLU A 68 -31.820 -23.387 -18.157 1.00 43.33 H new ATOM 0 HG3 GLU A 68 -30.322 -24.180 -18.603 1.00 43.33 H new ATOM 1073 N GLY A 69 -29.375 -20.546 -14.869 1.00 73.11 N ATOM 1074 CA GLY A 69 -28.464 -19.600 -14.253 1.00 42.53 C ATOM 1075 C GLY A 69 -27.092 -19.612 -14.898 1.00 60.30 C ATOM 1076 O GLY A 69 -26.788 -20.485 -15.712 1.00 32.13 O ATOM 0 H GLY A 69 -29.577 -21.374 -14.308 1.00 73.11 H new ATOM 0 HA2 GLY A 69 -28.885 -18.597 -14.321 1.00 42.53 H new ATOM 0 HA3 GLY A 69 -28.366 -19.833 -13.193 1.00 42.53 H new ATOM 1080 N CYS A 70 -26.261 -18.641 -14.536 1.00 3.11 N ATOM 1081 CA CYS A 70 -24.914 -18.541 -15.086 1.00 32.54 C ATOM 1082 C CYS A 70 -23.882 -19.073 -14.096 1.00 2.05 C ATOM 1083 O CYS A 70 -22.940 -19.768 -14.478 1.00 51.14 O ATOM 1084 CB CYS A 70 -24.593 -17.089 -15.444 1.00 21.22 C ATOM 1085 SG CYS A 70 -25.079 -16.615 -17.134 1.00 71.33 S ATOM 0 H CYS A 70 -26.497 -17.911 -13.863 1.00 3.11 H new ATOM 0 HA CYS A 70 -24.871 -19.148 -15.990 1.00 32.54 H new ATOM 0 HB2 CYS A 70 -25.096 -16.432 -14.735 1.00 21.22 H new ATOM 0 HB3 CYS A 70 -23.522 -16.925 -15.326 1.00 21.22 H new ATOM 1090 N ILE A 71 -24.066 -18.741 -12.822 1.00 72.41 N ATOM 1091 CA ILE A 71 -23.152 -19.186 -11.777 1.00 72.34 C ATOM 1092 C ILE A 71 -22.988 -20.702 -11.799 1.00 72.24 C ATOM 1093 O ILE A 71 -21.916 -21.226 -11.498 1.00 63.40 O ATOM 1094 CB ILE A 71 -23.639 -18.754 -10.382 1.00 34.23 C ATOM 1095 CG1 ILE A 71 -23.746 -17.230 -10.304 1.00 52.22 C ATOM 1096 CG2 ILE A 71 -22.700 -19.280 -9.307 1.00 32.14 C ATOM 1097 CD1 ILE A 71 -24.784 -16.746 -9.315 1.00 63.34 C ATOM 0 H ILE A 71 -24.840 -18.166 -12.489 1.00 72.41 H new ATOM 0 HA ILE A 71 -22.189 -18.716 -11.979 1.00 72.34 H new ATOM 0 HB ILE A 71 -24.629 -19.178 -10.212 1.00 34.23 H new ATOM 0 HG12 ILE A 71 -22.775 -16.819 -10.029 1.00 52.22 H new ATOM 0 HG13 ILE A 71 -23.988 -16.840 -11.293 1.00 52.22 H new ATOM 0 HG21 ILE A 71 -23.058 -18.966 -8.326 1.00 32.14 H new ATOM 0 HG22 ILE A 71 -22.670 -20.369 -9.351 1.00 32.14 H new ATOM 0 HG23 ILE A 71 -21.699 -18.882 -9.472 1.00 32.14 H new ATOM 0 HD11 ILE A 71 -24.804 -15.656 -9.313 1.00 63.34 H new ATOM 0 HD12 ILE A 71 -25.764 -17.127 -9.601 1.00 63.34 H new ATOM 0 HD13 ILE A 71 -24.532 -17.106 -8.318 1.00 63.34 H new ATOM 1109 N LYS A 72 -24.058 -21.402 -12.160 1.00 73.41 N ATOM 1110 CA LYS A 72 -24.034 -22.859 -12.225 1.00 41.24 C ATOM 1111 C LYS A 72 -23.469 -23.334 -13.560 1.00 74.23 C ATOM 1112 O LYS A 72 -22.770 -24.345 -13.626 1.00 22.23 O ATOM 1113 CB LYS A 72 -25.443 -23.422 -12.026 1.00 24.44 C ATOM 1114 CG LYS A 72 -26.056 -23.065 -10.683 1.00 11.41 C ATOM 1115 CD LYS A 72 -25.319 -23.736 -9.536 1.00 71.34 C ATOM 1116 CE LYS A 72 -26.088 -23.610 -8.230 1.00 24.21 C ATOM 1117 NZ LYS A 72 -25.726 -24.688 -7.268 1.00 13.23 N ATOM 0 H LYS A 72 -24.953 -20.984 -12.412 1.00 73.41 H new ATOM 0 HA LYS A 72 -23.388 -23.223 -11.426 1.00 41.24 H new ATOM 0 HB2 LYS A 72 -26.089 -23.051 -12.821 1.00 24.44 H new ATOM 0 HB3 LYS A 72 -25.409 -24.507 -12.124 1.00 24.44 H new ATOM 0 HG2 LYS A 72 -26.033 -21.984 -10.548 1.00 11.41 H new ATOM 0 HG3 LYS A 72 -27.104 -23.366 -10.669 1.00 11.41 H new ATOM 0 HD2 LYS A 72 -25.164 -24.790 -9.768 1.00 71.34 H new ATOM 0 HD3 LYS A 72 -24.332 -23.286 -9.423 1.00 71.34 H new ATOM 0 HE2 LYS A 72 -25.884 -22.638 -7.780 1.00 24.21 H new ATOM 0 HE3 LYS A 72 -27.158 -23.649 -8.433 1.00 24.21 H new ATOM 0 HZ1 LYS A 72 -26.271 -24.568 -6.390 1.00 13.23 H new ATOM 0 HZ2 LYS A 72 -25.944 -25.615 -7.687 1.00 13.23 H new ATOM 0 HZ3 LYS A 72 -24.710 -24.635 -7.054 1.00 13.23 H new ATOM 1131 N LYS A 73 -23.776 -22.598 -14.623 1.00 74.21 N ATOM 1132 CA LYS A 73 -23.298 -22.942 -15.957 1.00 22.23 C ATOM 1133 C LYS A 73 -21.780 -22.813 -16.040 1.00 72.22 C ATOM 1134 O LYS A 73 -21.091 -23.741 -16.465 1.00 2.41 O ATOM 1135 CB LYS A 73 -23.955 -22.042 -17.005 1.00 13.31 C ATOM 1136 CG LYS A 73 -25.338 -22.507 -17.426 1.00 35.45 C ATOM 1137 CD LYS A 73 -25.270 -23.467 -18.602 1.00 11.22 C ATOM 1138 CE LYS A 73 -25.057 -24.900 -18.140 1.00 70.42 C ATOM 1139 NZ LYS A 73 -25.555 -25.885 -19.140 1.00 52.12 N ATOM 0 H LYS A 73 -24.354 -21.759 -14.586 1.00 74.21 H new ATOM 0 HA LYS A 73 -23.569 -23.979 -16.157 1.00 22.23 H new ATOM 0 HB2 LYS A 73 -24.027 -21.029 -16.608 1.00 13.31 H new ATOM 0 HB3 LYS A 73 -23.313 -21.995 -17.885 1.00 13.31 H new ATOM 0 HG2 LYS A 73 -25.830 -22.995 -16.585 1.00 35.45 H new ATOM 0 HG3 LYS A 73 -25.947 -21.644 -17.695 1.00 35.45 H new ATOM 0 HD2 LYS A 73 -26.192 -23.403 -19.179 1.00 11.22 H new ATOM 0 HD3 LYS A 73 -24.457 -23.173 -19.266 1.00 11.22 H new ATOM 0 HE2 LYS A 73 -23.995 -25.070 -17.961 1.00 70.42 H new ATOM 0 HE3 LYS A 73 -25.570 -25.056 -17.191 1.00 70.42 H new ATOM 0 HZ1 LYS A 73 -25.392 -26.850 -18.788 1.00 52.12 H new ATOM 0 HZ2 LYS A 73 -26.573 -25.740 -19.293 1.00 52.12 H new ATOM 0 HZ3 LYS A 73 -25.048 -25.754 -20.039 1.00 52.12 H new ATOM 1153 N VAL A 74 -21.266 -21.658 -15.631 1.00 45.00 N ATOM 1154 CA VAL A 74 -19.829 -21.409 -15.657 1.00 52.12 C ATOM 1155 C VAL A 74 -19.074 -22.465 -14.858 1.00 43.03 C ATOM 1156 O VAL A 74 -18.006 -22.922 -15.267 1.00 52.42 O ATOM 1157 CB VAL A 74 -19.491 -20.016 -15.094 1.00 42.34 C ATOM 1158 CG1 VAL A 74 -17.987 -19.786 -15.104 1.00 71.52 C ATOM 1159 CG2 VAL A 74 -20.209 -18.933 -15.886 1.00 24.00 C ATOM 0 H VAL A 74 -21.823 -20.880 -15.278 1.00 45.00 H new ATOM 0 HA VAL A 74 -19.518 -21.456 -16.701 1.00 52.12 H new ATOM 0 HB VAL A 74 -19.835 -19.968 -14.061 1.00 42.34 H new ATOM 0 HG11 VAL A 74 -17.768 -18.797 -14.703 1.00 71.52 H new ATOM 0 HG12 VAL A 74 -17.499 -20.543 -14.490 1.00 71.52 H new ATOM 0 HG13 VAL A 74 -17.615 -19.853 -16.126 1.00 71.52 H new ATOM 0 HG21 VAL A 74 -19.959 -17.955 -15.475 1.00 24.00 H new ATOM 0 HG22 VAL A 74 -19.897 -18.978 -16.930 1.00 24.00 H new ATOM 0 HG23 VAL A 74 -21.286 -19.089 -15.822 1.00 24.00 H new ATOM 1169 N SER A 75 -19.635 -22.849 -13.717 1.00 33.44 N ATOM 1170 CA SER A 75 -19.013 -23.850 -12.858 1.00 31.14 C ATOM 1171 C SER A 75 -19.055 -25.228 -13.511 1.00 24.33 C ATOM 1172 O SER A 75 -18.092 -25.992 -13.437 1.00 4.33 O ATOM 1173 CB SER A 75 -19.716 -23.895 -11.500 1.00 32.44 C ATOM 1174 OG SER A 75 -19.473 -25.126 -10.840 1.00 40.12 O ATOM 0 H SER A 75 -20.519 -22.482 -13.365 1.00 33.44 H new ATOM 0 HA SER A 75 -17.970 -23.569 -12.710 1.00 31.14 H new ATOM 0 HB2 SER A 75 -19.366 -23.070 -10.879 1.00 32.44 H new ATOM 0 HB3 SER A 75 -20.789 -23.758 -11.638 1.00 32.44 H new ATOM 0 HG SER A 75 -19.932 -25.129 -9.974 1.00 40.12 H new ATOM 1180 N ASP A 76 -20.177 -25.539 -14.150 1.00 22.20 N ATOM 1181 CA ASP A 76 -20.345 -26.825 -14.818 1.00 12.32 C ATOM 1182 C ASP A 76 -19.224 -27.065 -15.824 1.00 72.31 C ATOM 1183 O ASP A 76 -18.588 -28.120 -15.821 1.00 31.14 O ATOM 1184 CB ASP A 76 -21.701 -26.884 -15.523 1.00 14.55 C ATOM 1185 CG ASP A 76 -22.657 -27.855 -14.859 1.00 32.15 C ATOM 1186 OD1 ASP A 76 -22.694 -27.892 -13.611 1.00 31.34 O ATOM 1187 OD2 ASP A 76 -23.369 -28.578 -15.587 1.00 10.42 O ATOM 0 H ASP A 76 -20.984 -24.919 -14.220 1.00 22.20 H new ATOM 0 HA ASP A 76 -20.303 -27.608 -14.061 1.00 12.32 H new ATOM 0 HB2 ASP A 76 -22.146 -25.889 -15.532 1.00 14.55 H new ATOM 0 HB3 ASP A 76 -21.554 -27.177 -16.563 1.00 14.55 H new ATOM 1192 N LEU A 77 -18.988 -26.082 -16.685 1.00 50.41 N ATOM 1193 CA LEU A 77 -17.944 -26.186 -17.699 1.00 31.33 C ATOM 1194 C LEU A 77 -16.566 -25.950 -17.088 1.00 55.10 C ATOM 1195 O LEU A 77 -15.559 -26.445 -17.593 1.00 72.22 O ATOM 1196 CB LEU A 77 -18.195 -25.181 -18.824 1.00 14.45 C ATOM 1197 CG LEU A 77 -17.759 -23.741 -18.547 1.00 64.51 C ATOM 1198 CD1 LEU A 77 -16.375 -23.484 -19.123 1.00 2.32 C ATOM 1199 CD2 LEU A 77 -18.769 -22.758 -19.121 1.00 24.24 C ATOM 0 H LEU A 77 -19.505 -25.203 -16.702 1.00 50.41 H new ATOM 0 HA LEU A 77 -17.971 -27.195 -18.110 1.00 31.33 H new ATOM 0 HB2 LEU A 77 -17.679 -25.530 -19.718 1.00 14.45 H new ATOM 0 HB3 LEU A 77 -19.261 -25.179 -19.052 1.00 14.45 H new ATOM 0 HG LEU A 77 -17.714 -23.595 -17.468 1.00 64.51 H new ATOM 0 HD11 LEU A 77 -16.080 -22.455 -18.917 1.00 2.32 H new ATOM 0 HD12 LEU A 77 -15.658 -24.165 -18.665 1.00 2.32 H new ATOM 0 HD13 LEU A 77 -16.393 -23.647 -20.201 1.00 2.32 H new ATOM 0 HD21 LEU A 77 -18.443 -21.739 -18.914 1.00 24.24 H new ATOM 0 HD22 LEU A 77 -18.846 -22.903 -20.199 1.00 24.24 H new ATOM 0 HD23 LEU A 77 -19.743 -22.927 -18.662 1.00 24.24 H new ATOM 1211 N SER A 78 -16.531 -25.191 -15.997 1.00 63.41 N ATOM 1212 CA SER A 78 -15.277 -24.888 -15.318 1.00 5.12 C ATOM 1213 C SER A 78 -14.600 -26.165 -14.831 1.00 24.53 C ATOM 1214 O SER A 78 -13.424 -26.404 -15.107 1.00 42.21 O ATOM 1215 CB SER A 78 -15.526 -23.947 -14.137 1.00 60.43 C ATOM 1216 OG SER A 78 -14.360 -23.803 -13.345 1.00 20.10 O ATOM 0 H SER A 78 -17.356 -24.775 -15.565 1.00 63.41 H new ATOM 0 HA SER A 78 -14.616 -24.397 -16.032 1.00 5.12 H new ATOM 0 HB2 SER A 78 -15.842 -22.971 -14.506 1.00 60.43 H new ATOM 0 HB3 SER A 78 -16.340 -24.335 -13.524 1.00 60.43 H new ATOM 0 HG SER A 78 -14.545 -23.196 -12.598 1.00 20.10 H new ATOM 1222 N LYS A 79 -15.351 -26.985 -14.103 1.00 60.12 N ATOM 1223 CA LYS A 79 -14.827 -28.240 -13.577 1.00 43.20 C ATOM 1224 C LYS A 79 -14.475 -29.200 -14.709 1.00 0.20 C ATOM 1225 O LYS A 79 -13.600 -30.053 -14.563 1.00 11.24 O ATOM 1226 CB LYS A 79 -15.848 -28.890 -12.641 1.00 62.41 C ATOM 1227 CG LYS A 79 -17.171 -29.212 -13.314 1.00 20.41 C ATOM 1228 CD LYS A 79 -17.989 -30.196 -12.494 1.00 1.24 C ATOM 1229 CE LYS A 79 -18.736 -29.497 -11.368 1.00 3.12 C ATOM 1230 NZ LYS A 79 -19.714 -30.403 -10.705 1.00 1.02 N ATOM 0 H LYS A 79 -16.326 -26.802 -13.864 1.00 60.12 H new ATOM 0 HA LYS A 79 -13.919 -28.019 -13.017 1.00 43.20 H new ATOM 0 HB2 LYS A 79 -15.423 -29.808 -12.235 1.00 62.41 H new ATOM 0 HB3 LYS A 79 -16.031 -28.224 -11.798 1.00 62.41 H new ATOM 0 HG2 LYS A 79 -17.741 -28.294 -13.456 1.00 20.41 H new ATOM 0 HG3 LYS A 79 -16.985 -29.628 -14.304 1.00 20.41 H new ATOM 0 HD2 LYS A 79 -18.701 -30.708 -13.142 1.00 1.24 H new ATOM 0 HD3 LYS A 79 -17.332 -30.959 -12.077 1.00 1.24 H new ATOM 0 HE2 LYS A 79 -18.022 -29.132 -10.630 1.00 3.12 H new ATOM 0 HE3 LYS A 79 -19.258 -28.626 -11.764 1.00 3.12 H new ATOM 0 HZ1 LYS A 79 -20.202 -29.889 -9.944 1.00 1.02 H new ATOM 0 HZ2 LYS A 79 -20.411 -30.732 -11.403 1.00 1.02 H new ATOM 0 HZ3 LYS A 79 -19.213 -31.221 -10.304 1.00 1.02 H new ATOM 1244 N ALA A 80 -15.161 -29.054 -15.838 1.00 14.44 N ATOM 1245 CA ALA A 80 -14.919 -29.905 -16.995 1.00 64.42 C ATOM 1246 C ALA A 80 -13.663 -29.470 -17.743 1.00 70.22 C ATOM 1247 O ALA A 80 -13.350 -28.281 -17.813 1.00 35.11 O ATOM 1248 CB ALA A 80 -16.122 -29.887 -17.925 1.00 74.54 C ATOM 0 H ALA A 80 -15.889 -28.353 -15.975 1.00 14.44 H new ATOM 0 HA ALA A 80 -14.764 -30.924 -16.639 1.00 64.42 H new ATOM 0 HB1 ALA A 80 -15.927 -30.527 -18.785 1.00 74.54 H new ATOM 0 HB2 ALA A 80 -16.999 -30.253 -17.392 1.00 74.54 H new ATOM 0 HB3 ALA A 80 -16.303 -28.868 -18.265 1.00 74.54 H new ATOM 1254 N HIS A 81 -12.946 -30.441 -18.301 1.00 41.51 N ATOM 1255 CA HIS A 81 -11.723 -30.157 -19.044 1.00 53.14 C ATOM 1256 C HIS A 81 -11.674 -30.965 -20.337 1.00 62.34 C ATOM 1257 O HIS A 81 -12.198 -32.077 -20.406 1.00 34.32 O ATOM 1258 CB HIS A 81 -10.496 -30.469 -18.187 1.00 53.51 C ATOM 1259 CG HIS A 81 -10.334 -31.926 -17.881 1.00 11.55 C ATOM 1260 ND1 HIS A 81 -11.241 -32.642 -17.129 1.00 12.25 N ATOM 1261 CD2 HIS A 81 -9.363 -32.801 -18.231 1.00 32.24 C ATOM 1262 CE1 HIS A 81 -10.834 -33.895 -17.028 1.00 14.42 C ATOM 1263 NE2 HIS A 81 -9.697 -34.018 -17.688 1.00 52.23 N ATOM 0 H HIS A 81 -13.191 -31.430 -18.253 1.00 41.51 H new ATOM 0 HA HIS A 81 -11.719 -29.097 -19.298 1.00 53.14 H new ATOM 0 HB2 HIS A 81 -9.604 -30.113 -18.702 1.00 53.51 H new ATOM 0 HB3 HIS A 81 -10.567 -29.915 -17.251 1.00 53.51 H new ATOM 0 HD2 HIS A 81 -8.489 -32.583 -18.826 1.00 32.24 H new ATOM 0 HE1 HIS A 81 -11.344 -34.684 -16.496 1.00 14.42 H new ATOM 0 HE2 HIS A 81 -9.155 -34.877 -17.780 1.00 52.23 H new TER 1272 HIS A 81