USER MOD reduce.3.24.130724 H: found=0, std=0, add=1108, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1108 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 53 ASN :FLIP amide:sc= -2.86 F(o=-3.9!,f=-2.2) USER MOD Set 1.2: A 103 TYR OH : rot -175:sc= 0.678 USER MOD Set 2.1: A 30 SER OG : rot 109:sc= -1.18 USER MOD Set 2.2: A 100 MET CE :methyl -139:sc= -0.965 (180deg=-2.12) USER MOD Set 3.1: A 23 MET CE :methyl 171:sc= -0.143 (180deg=-0.481) USER MOD Set 3.2: A 126 THR OG1 : rot -29:sc= 0.268 USER MOD Set 4.1: A 20 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Set 4.2: A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Set 5.1: A 9 HIS : no HE2:sc= 0.997 K(o=2.2,f=-6.9!) USER MOD Set 5.2: A 11 SER OG : rot -128:sc= 1.23 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.496 (180deg=0.107!) USER MOD Single : A 3 SER OG : rot 41:sc= 0.623 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HE2:sc= -0.238 X(o=-0.24,f=-0.16) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc=-0.00103 X(o=-0.001,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0147 USER MOD Single : A 16 ASN : amide:sc= -0.671 K(o=-0.67,f=-10!) USER MOD Single : A 18 TYR OH : rot 25:sc= 0.55 USER MOD Single : A 33 THR OG1 : rot 31:sc= -0.203 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.331 K(o=-0.33,f=-2!) USER MOD Single : A 39 THR OG1 : rot -160:sc= -0.407 USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= -0.0194 (180deg=-0.154) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.596 X(o=-0.6,f=-0.62) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.68 K(o=1.7,f=-3.4!) USER MOD Single : A 63 ASN : amide:sc= -0.0336 X(o=-0.034,f=-0.45) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 74 LYS NZ :NH3+ 179:sc= 2.27 (180deg=2.19) USER MOD Single : A 76 LYS NZ :NH3+ -139:sc= 1.2 (180deg=0.0511) USER MOD Single : A 77 THR OG1 : rot -179:sc= 1.35 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -159:sc= 1.24 (180deg=0.812) USER MOD Single : A 95 MET CE :methyl -108:sc= -0.842 (180deg=-5.84!) USER MOD Single : A 105 ASN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 106 MET CE :methyl -170:sc= 0 (180deg=-0.0937) USER MOD Single : A 111 SER OG : rot 96:sc= 0.384 USER MOD Single : A 112 THR OG1 : rot -10:sc= 0.926 USER MOD Single : A 115 THR OG1 : rot -73:sc= 1.02 USER MOD Single : A 117 MET CE :methyl 159:sc= -0.124 (180deg=-0.683) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 161:sc= 1.17 (180deg=0.992) USER MOD Single : A 124 LYS NZ :NH3+ -139:sc= 1.08 (180deg=0.525) USER MOD Single : A 129 LYS NZ :NH3+ 136:sc= 2.13 (180deg=-0.642!) USER MOD Single : A 130 THR OG1 : rot 160:sc= -0.326 USER MOD Single : A 133 LYS NZ :NH3+ 157:sc= 0.907 (180deg=0.677) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -45.144 -19.669 37.152 1.00 73.10 N ATOM 2 CA MET A 1 -44.992 -18.483 38.041 1.00 54.45 C ATOM 3 C MET A 1 -43.529 -18.290 38.475 1.00 4.55 C ATOM 4 O MET A 1 -42.827 -19.257 38.778 1.00 23.05 O ATOM 5 CB MET A 1 -45.897 -18.624 39.277 1.00 24.23 C ATOM 6 CG MET A 1 -47.384 -18.664 38.942 1.00 3.03 C ATOM 7 SD MET A 1 -47.809 -20.037 37.850 1.00 73.11 S ATOM 8 CE MET A 1 -49.556 -19.734 37.585 1.00 44.31 C ATOM 0 H1 MET A 1 -46.123 -20.017 37.202 1.00 73.10 H new ATOM 0 H2 MET A 1 -44.922 -19.399 36.172 1.00 73.10 H new ATOM 0 H3 MET A 1 -44.494 -20.420 37.460 1.00 73.10 H new ATOM 0 HA MET A 1 -45.294 -17.601 37.475 1.00 54.45 H new ATOM 0 HB2 MET A 1 -45.629 -19.535 39.812 1.00 24.23 H new ATOM 0 HB3 MET A 1 -45.707 -17.790 39.953 1.00 24.23 H new ATOM 0 HG2 MET A 1 -47.959 -18.746 39.864 1.00 3.03 H new ATOM 0 HG3 MET A 1 -47.672 -17.725 38.469 1.00 3.03 H new ATOM 0 HE1 MET A 1 -49.963 -20.502 36.927 1.00 44.31 H new ATOM 0 HE2 MET A 1 -50.079 -19.760 38.541 1.00 44.31 H new ATOM 0 HE3 MET A 1 -49.690 -18.755 37.125 1.00 44.31 H new ATOM 20 N GLY A 2 -43.073 -17.036 38.499 1.00 5.12 N ATOM 21 CA GLY A 2 -41.692 -16.737 38.873 1.00 4.45 C ATOM 22 C GLY A 2 -40.810 -16.383 37.676 1.00 44.13 C ATOM 23 O GLY A 2 -41.192 -16.601 36.523 1.00 51.23 O ATOM 0 H GLY A 2 -43.636 -16.218 38.266 1.00 5.12 H new ATOM 0 HA2 GLY A 2 -41.685 -15.907 39.580 1.00 4.45 H new ATOM 0 HA3 GLY A 2 -41.267 -17.598 39.388 1.00 4.45 H new ATOM 27 N SER A 3 -39.628 -15.824 37.946 1.00 51.03 N ATOM 28 CA SER A 3 -38.676 -15.472 36.880 1.00 55.00 C ATOM 29 C SER A 3 -37.233 -15.419 37.407 1.00 72.15 C ATOM 30 O SER A 3 -36.856 -14.510 38.152 1.00 34.44 O ATOM 31 CB SER A 3 -39.047 -14.125 36.233 1.00 30.42 C ATOM 32 OG SER A 3 -38.953 -13.049 37.155 1.00 52.33 O ATOM 0 H SER A 3 -39.305 -15.605 38.888 1.00 51.03 H new ATOM 0 HA SER A 3 -38.736 -16.255 36.124 1.00 55.00 H new ATOM 0 HB2 SER A 3 -38.387 -13.936 35.386 1.00 30.42 H new ATOM 0 HB3 SER A 3 -40.062 -14.179 35.840 1.00 30.42 H new ATOM 0 HG SER A 3 -38.149 -13.158 37.705 1.00 52.33 H new ATOM 38 N SER A 4 -36.424 -16.401 37.012 1.00 60.12 N ATOM 39 CA SER A 4 -35.022 -16.469 37.449 1.00 34.44 C ATOM 40 C SER A 4 -34.146 -15.503 36.646 1.00 20.31 C ATOM 41 O SER A 4 -34.478 -15.138 35.513 1.00 13.01 O ATOM 42 CB SER A 4 -34.470 -17.894 37.316 1.00 34.40 C ATOM 43 OG SER A 4 -33.183 -18.002 37.914 1.00 55.30 O ATOM 0 H SER A 4 -36.710 -17.160 36.393 1.00 60.12 H new ATOM 0 HA SER A 4 -34.997 -16.178 38.499 1.00 34.44 H new ATOM 0 HB2 SER A 4 -35.155 -18.598 37.789 1.00 34.40 H new ATOM 0 HB3 SER A 4 -34.409 -18.167 36.263 1.00 34.40 H new ATOM 0 HG SER A 4 -32.853 -18.920 37.818 1.00 55.30 H new ATOM 49 N HIS A 5 -33.031 -15.086 37.239 1.00 71.44 N ATOM 50 CA HIS A 5 -32.121 -14.134 36.594 1.00 43.35 C ATOM 51 C HIS A 5 -30.683 -14.235 37.143 1.00 25.44 C ATOM 52 O HIS A 5 -30.323 -13.577 38.117 1.00 63.34 O ATOM 53 CB HIS A 5 -32.665 -12.702 36.747 1.00 54.45 C ATOM 54 CG HIS A 5 -33.146 -12.379 38.134 1.00 72.02 C ATOM 55 ND1 HIS A 5 -34.457 -12.543 38.533 1.00 63.33 N ATOM 56 CD2 HIS A 5 -32.486 -11.906 39.222 1.00 4.11 C ATOM 57 CE1 HIS A 5 -34.580 -12.186 39.795 1.00 3.53 C ATOM 58 NE2 HIS A 5 -33.403 -11.798 40.235 1.00 64.22 N ATOM 0 H HIS A 5 -32.732 -15.390 38.166 1.00 71.44 H new ATOM 0 HA HIS A 5 -32.072 -14.389 35.535 1.00 43.35 H new ATOM 0 HB2 HIS A 5 -31.883 -11.995 36.470 1.00 54.45 H new ATOM 0 HB3 HIS A 5 -33.487 -12.559 36.045 1.00 54.45 H new ATOM 0 HD1 HIS A 5 -35.214 -12.887 37.942 1.00 63.33 H new ATOM 0 HD2 HIS A 5 -31.436 -11.661 39.279 1.00 4.11 H new ATOM 0 HE1 HIS A 5 -35.493 -12.208 40.371 1.00 3.53 H new ATOM 67 N HIS A 6 -29.867 -15.083 36.519 1.00 1.21 N ATOM 68 CA HIS A 6 -28.443 -15.194 36.866 1.00 24.42 C ATOM 69 C HIS A 6 -27.564 -14.795 35.670 1.00 74.35 C ATOM 70 O HIS A 6 -27.693 -15.350 34.576 1.00 73.31 O ATOM 71 CB HIS A 6 -28.110 -16.626 37.316 1.00 23.05 C ATOM 72 CG HIS A 6 -26.680 -16.811 37.752 1.00 31.52 C ATOM 73 ND1 HIS A 6 -26.207 -16.388 38.974 1.00 1.42 N ATOM 74 CD2 HIS A 6 -25.616 -17.363 37.115 1.00 0.54 C ATOM 75 CE1 HIS A 6 -24.924 -16.666 39.073 1.00 53.54 C ATOM 76 NE2 HIS A 6 -24.539 -17.257 37.961 1.00 52.22 N ATOM 0 H HIS A 6 -30.164 -15.706 35.768 1.00 1.21 H new ATOM 0 HA HIS A 6 -28.237 -14.512 37.691 1.00 24.42 H new ATOM 0 HB2 HIS A 6 -28.769 -16.900 38.140 1.00 23.05 H new ATOM 0 HB3 HIS A 6 -28.322 -17.313 36.496 1.00 23.05 H new ATOM 0 HD2 HIS A 6 -25.616 -17.803 36.129 1.00 0.54 H new ATOM 0 HE1 HIS A 6 -24.294 -16.447 39.922 1.00 53.54 H new ATOM 0 HE2 HIS A 6 -23.594 -17.583 37.760 1.00 52.22 H new ATOM 85 N HIS A 7 -26.670 -13.834 35.879 1.00 23.31 N ATOM 86 CA HIS A 7 -25.794 -13.349 34.807 1.00 52.15 C ATOM 87 C HIS A 7 -24.328 -13.258 35.266 1.00 43.12 C ATOM 88 O HIS A 7 -24.026 -12.710 36.327 1.00 61.25 O ATOM 89 CB HIS A 7 -26.289 -11.987 34.292 1.00 31.43 C ATOM 90 CG HIS A 7 -26.528 -10.971 35.371 1.00 74.41 C ATOM 91 ND1 HIS A 7 -27.773 -10.725 35.911 1.00 43.13 N ATOM 92 CD2 HIS A 7 -25.678 -10.130 36.006 1.00 40.44 C ATOM 93 CE1 HIS A 7 -27.678 -9.783 36.824 1.00 41.34 C ATOM 94 NE2 HIS A 7 -26.422 -9.404 36.902 1.00 21.55 N ATOM 0 H HIS A 7 -26.530 -13.373 36.778 1.00 23.31 H new ATOM 0 HA HIS A 7 -25.834 -14.071 33.991 1.00 52.15 H new ATOM 0 HB2 HIS A 7 -25.557 -11.589 33.589 1.00 31.43 H new ATOM 0 HB3 HIS A 7 -27.215 -12.136 33.737 1.00 31.43 H new ATOM 0 HD2 HIS A 7 -24.614 -10.046 35.839 1.00 40.44 H new ATOM 0 HE1 HIS A 7 -28.494 -9.388 37.410 1.00 41.34 H new ATOM 0 HE2 HIS A 7 -26.058 -8.685 37.528 1.00 21.55 H new ATOM 103 N HIS A 8 -23.427 -13.797 34.451 1.00 0.35 N ATOM 104 CA HIS A 8 -21.991 -13.809 34.757 1.00 44.24 C ATOM 105 C HIS A 8 -21.169 -13.825 33.458 1.00 24.13 C ATOM 106 O HIS A 8 -21.530 -14.506 32.499 1.00 14.53 O ATOM 107 CB HIS A 8 -21.654 -15.035 35.620 1.00 12.54 C ATOM 108 CG HIS A 8 -20.208 -15.143 36.011 1.00 33.11 C ATOM 109 ND1 HIS A 8 -19.366 -16.116 35.517 1.00 73.41 N ATOM 110 CD2 HIS A 8 -19.460 -14.407 36.866 1.00 15.25 C ATOM 111 CE1 HIS A 8 -18.173 -15.976 36.052 1.00 72.01 C ATOM 112 NE2 HIS A 8 -18.199 -14.948 36.873 1.00 24.51 N ATOM 0 H HIS A 8 -23.665 -14.237 33.562 1.00 0.35 H new ATOM 0 HA HIS A 8 -21.738 -12.906 35.312 1.00 44.24 H new ATOM 0 HB2 HIS A 8 -22.261 -15.004 36.525 1.00 12.54 H new ATOM 0 HB3 HIS A 8 -21.938 -15.936 35.076 1.00 12.54 H new ATOM 0 HD2 HIS A 8 -19.794 -13.553 37.437 1.00 15.25 H new ATOM 0 HE1 HIS A 8 -17.315 -16.600 35.851 1.00 72.01 H new ATOM 0 HE2 HIS A 8 -17.411 -14.609 37.424 1.00 24.51 H new ATOM 121 N HIS A 9 -20.063 -13.083 33.426 1.00 33.31 N ATOM 122 CA HIS A 9 -19.280 -12.921 32.192 1.00 2.32 C ATOM 123 C HIS A 9 -17.763 -12.944 32.447 1.00 75.51 C ATOM 124 O HIS A 9 -17.284 -12.463 33.470 1.00 25.54 O ATOM 125 CB HIS A 9 -19.681 -11.602 31.509 1.00 4.01 C ATOM 126 CG HIS A 9 -18.857 -11.249 30.305 1.00 13.34 C ATOM 127 ND1 HIS A 9 -19.052 -11.808 29.061 1.00 74.33 N ATOM 128 CD2 HIS A 9 -17.824 -10.383 30.162 1.00 75.02 C ATOM 129 CE1 HIS A 9 -18.176 -11.311 28.211 1.00 5.13 C ATOM 130 NE2 HIS A 9 -17.423 -10.443 28.853 1.00 51.22 N ATOM 0 H HIS A 9 -19.687 -12.585 34.233 1.00 33.31 H new ATOM 0 HA HIS A 9 -19.503 -13.768 31.543 1.00 2.32 H new ATOM 0 HB2 HIS A 9 -20.728 -11.665 31.211 1.00 4.01 H new ATOM 0 HB3 HIS A 9 -19.605 -10.793 32.236 1.00 4.01 H new ATOM 0 HD1 HIS A 9 -19.765 -12.501 28.833 1.00 74.33 H new ATOM 0 HD2 HIS A 9 -17.397 -9.762 30.935 1.00 75.02 H new ATOM 0 HE1 HIS A 9 -18.091 -11.571 27.166 1.00 5.13 H new ATOM 139 N HIS A 10 -17.022 -13.514 31.497 1.00 74.40 N ATOM 140 CA HIS A 10 -15.551 -13.476 31.499 1.00 32.44 C ATOM 141 C HIS A 10 -15.009 -13.389 30.063 1.00 34.22 C ATOM 142 O HIS A 10 -15.333 -14.220 29.216 1.00 75.33 O ATOM 143 CB HIS A 10 -14.962 -14.708 32.218 1.00 12.24 C ATOM 144 CG HIS A 10 -14.500 -14.427 33.618 1.00 25.14 C ATOM 145 ND1 HIS A 10 -13.176 -14.238 33.953 1.00 11.35 N ATOM 146 CD2 HIS A 10 -15.194 -14.300 34.772 1.00 65.41 C ATOM 147 CE1 HIS A 10 -13.076 -14.009 35.245 1.00 33.22 C ATOM 148 NE2 HIS A 10 -14.283 -14.041 35.767 1.00 53.31 N ATOM 0 H HIS A 10 -17.419 -14.016 30.703 1.00 74.40 H new ATOM 0 HA HIS A 10 -15.243 -12.584 32.045 1.00 32.44 H new ATOM 0 HB2 HIS A 10 -15.715 -15.496 32.245 1.00 12.24 H new ATOM 0 HB3 HIS A 10 -14.122 -15.089 31.637 1.00 12.24 H new ATOM 0 HD2 HIS A 10 -16.264 -14.386 34.889 1.00 65.41 H new ATOM 0 HE1 HIS A 10 -12.159 -13.826 35.785 1.00 33.22 H new ATOM 0 HE2 HIS A 10 -14.506 -13.897 36.752 1.00 53.31 H new ATOM 157 N SER A 11 -14.197 -12.369 29.800 1.00 3.34 N ATOM 158 CA SER A 11 -13.578 -12.167 28.477 1.00 40.23 C ATOM 159 C SER A 11 -12.230 -11.446 28.613 1.00 22.21 C ATOM 160 O SER A 11 -12.123 -10.446 29.328 1.00 21.12 O ATOM 161 CB SER A 11 -14.508 -11.356 27.562 1.00 44.24 C ATOM 162 OG SER A 11 -14.877 -10.117 28.158 1.00 54.44 O ATOM 0 H SER A 11 -13.946 -11.659 30.488 1.00 3.34 H new ATOM 0 HA SER A 11 -13.411 -13.148 28.032 1.00 40.23 H new ATOM 0 HB2 SER A 11 -14.011 -11.169 26.610 1.00 44.24 H new ATOM 0 HB3 SER A 11 -15.404 -11.938 27.345 1.00 44.24 H new ATOM 0 HG SER A 11 -15.852 -10.022 28.137 1.00 54.44 H new ATOM 168 N SER A 12 -11.203 -11.946 27.925 1.00 1.02 N ATOM 169 CA SER A 12 -9.851 -11.377 28.041 1.00 65.30 C ATOM 170 C SER A 12 -9.020 -11.598 26.769 1.00 63.24 C ATOM 171 O SER A 12 -8.976 -12.702 26.228 1.00 13.42 O ATOM 172 CB SER A 12 -9.109 -11.995 29.238 1.00 22.13 C ATOM 173 OG SER A 12 -9.815 -11.787 30.453 1.00 73.50 O ATOM 0 H SER A 12 -11.275 -12.737 27.285 1.00 1.02 H new ATOM 0 HA SER A 12 -9.972 -10.304 28.189 1.00 65.30 H new ATOM 0 HB2 SER A 12 -8.976 -13.064 29.072 1.00 22.13 H new ATOM 0 HB3 SER A 12 -8.113 -11.558 29.315 1.00 22.13 H new ATOM 0 HG SER A 12 -9.318 -12.193 31.194 1.00 73.50 H new ATOM 179 N GLY A 13 -8.371 -10.536 26.293 1.00 10.23 N ATOM 180 CA GLY A 13 -7.429 -10.653 25.179 1.00 24.15 C ATOM 181 C GLY A 13 -5.976 -10.595 25.649 1.00 51.40 C ATOM 182 O GLY A 13 -5.709 -10.329 26.827 1.00 13.15 O ATOM 0 H GLY A 13 -8.479 -9.590 26.658 1.00 10.23 H new ATOM 0 HA2 GLY A 13 -7.603 -11.592 24.654 1.00 24.15 H new ATOM 0 HA3 GLY A 13 -7.611 -9.850 24.464 1.00 24.15 H new ATOM 186 N ARG A 14 -5.026 -10.835 24.744 1.00 72.03 N ATOM 187 CA ARG A 14 -3.603 -10.814 25.114 1.00 74.33 C ATOM 188 C ARG A 14 -2.683 -10.638 23.893 1.00 21.51 C ATOM 189 O ARG A 14 -2.864 -11.282 22.858 1.00 73.23 O ATOM 190 CB ARG A 14 -3.232 -12.090 25.888 1.00 1.31 C ATOM 191 CG ARG A 14 -1.783 -12.122 26.374 1.00 2.44 C ATOM 192 CD ARG A 14 -1.559 -13.201 27.429 1.00 31.42 C ATOM 193 NE ARG A 14 -2.332 -12.943 28.646 1.00 64.34 N ATOM 194 CZ ARG A 14 -1.912 -13.201 29.854 1.00 2.51 C ATOM 195 NH1 ARG A 14 -0.739 -13.713 30.054 1.00 4.44 N ATOM 196 NH2 ARG A 14 -2.666 -12.930 30.870 1.00 42.24 N ATOM 0 H ARG A 14 -5.208 -11.044 23.762 1.00 72.03 H new ATOM 0 HA ARG A 14 -3.450 -9.947 25.757 1.00 74.33 H new ATOM 0 HB2 ARG A 14 -3.895 -12.187 26.748 1.00 1.31 H new ATOM 0 HB3 ARG A 14 -3.410 -12.955 25.249 1.00 1.31 H new ATOM 0 HG2 ARG A 14 -1.120 -12.300 25.527 1.00 2.44 H new ATOM 0 HG3 ARG A 14 -1.518 -11.149 26.788 1.00 2.44 H new ATOM 0 HD2 ARG A 14 -1.839 -14.172 27.020 1.00 31.42 H new ATOM 0 HD3 ARG A 14 -0.499 -13.252 27.676 1.00 31.42 H new ATOM 0 HE ARG A 14 -3.261 -12.534 28.542 1.00 64.34 H new ATOM 0 HH11 ARG A 14 -0.131 -13.920 29.262 1.00 4.44 H new ATOM 0 HH12 ARG A 14 -0.424 -13.910 31.004 1.00 4.44 H new ATOM 0 HH21 ARG A 14 -3.587 -12.516 30.726 1.00 42.24 H new ATOM 0 HH22 ARG A 14 -2.340 -13.131 31.815 1.00 42.24 H new ATOM 210 N GLU A 15 -1.696 -9.754 24.038 1.00 70.21 N ATOM 211 CA GLU A 15 -0.726 -9.456 22.974 1.00 51.42 C ATOM 212 C GLU A 15 0.503 -10.382 23.036 1.00 51.03 C ATOM 213 O GLU A 15 0.603 -11.251 23.904 1.00 1.44 O ATOM 214 CB GLU A 15 -0.285 -7.991 23.095 1.00 4.20 C ATOM 215 CG GLU A 15 0.380 -7.661 24.432 1.00 2.34 C ATOM 216 CD GLU A 15 0.428 -6.169 24.718 1.00 41.43 C ATOM 217 OE1 GLU A 15 -0.580 -5.628 25.220 1.00 31.04 O ATOM 218 OE2 GLU A 15 1.467 -5.532 24.461 1.00 53.30 O ATOM 0 H GLU A 15 -1.543 -9.222 24.895 1.00 70.21 H new ATOM 0 HA GLU A 15 -1.211 -9.628 22.013 1.00 51.42 H new ATOM 0 HB2 GLU A 15 0.409 -7.761 22.287 1.00 4.20 H new ATOM 0 HB3 GLU A 15 -1.154 -7.346 22.962 1.00 4.20 H new ATOM 0 HG2 GLU A 15 -0.161 -8.162 25.234 1.00 2.34 H new ATOM 0 HG3 GLU A 15 1.395 -8.059 24.435 1.00 2.34 H new ATOM 225 N ASN A 16 1.446 -10.172 22.118 1.00 52.23 N ATOM 226 CA ASN A 16 2.658 -10.998 22.030 1.00 3.34 C ATOM 227 C ASN A 16 3.879 -10.116 21.700 1.00 43.13 C ATOM 228 O ASN A 16 3.723 -9.008 21.188 1.00 62.33 O ATOM 229 CB ASN A 16 2.453 -12.085 20.957 1.00 51.34 C ATOM 230 CG ASN A 16 3.463 -13.225 21.024 1.00 72.42 C ATOM 231 OD1 ASN A 16 4.626 -13.041 21.366 1.00 11.11 O ATOM 232 ND2 ASN A 16 3.021 -14.423 20.696 1.00 73.14 N ATOM 0 H ASN A 16 1.396 -9.432 21.418 1.00 52.23 H new ATOM 0 HA ASN A 16 2.845 -11.481 22.989 1.00 3.34 H new ATOM 0 HB2 ASN A 16 1.449 -12.497 21.060 1.00 51.34 H new ATOM 0 HB3 ASN A 16 2.508 -11.622 19.972 1.00 51.34 H new ATOM 0 HD21 ASN A 16 3.652 -15.224 20.723 1.00 73.14 H new ATOM 0 HD22 ASN A 16 2.049 -14.549 20.415 1.00 73.14 H new ATOM 239 N LEU A 17 5.083 -10.615 22.000 1.00 64.31 N ATOM 240 CA LEU A 17 6.336 -9.872 21.771 1.00 22.22 C ATOM 241 C LEU A 17 6.375 -9.240 20.361 1.00 21.41 C ATOM 242 O LEU A 17 6.136 -9.913 19.352 1.00 75.14 O ATOM 243 CB LEU A 17 7.535 -10.805 21.986 1.00 34.34 C ATOM 244 CG LEU A 17 8.892 -10.107 22.220 1.00 53.12 C ATOM 245 CD1 LEU A 17 9.850 -11.049 22.931 1.00 5.44 C ATOM 246 CD2 LEU A 17 9.503 -9.615 20.910 1.00 30.25 C ATOM 0 H LEU A 17 5.221 -11.540 22.407 1.00 64.31 H new ATOM 0 HA LEU A 17 6.386 -9.054 22.489 1.00 22.22 H new ATOM 0 HB2 LEU A 17 7.324 -11.446 22.842 1.00 34.34 H new ATOM 0 HB3 LEU A 17 7.627 -11.455 21.116 1.00 34.34 H new ATOM 0 HG LEU A 17 8.716 -9.235 22.850 1.00 53.12 H new ATOM 0 HD11 LEU A 17 10.804 -10.546 23.091 1.00 5.44 H new ATOM 0 HD12 LEU A 17 9.428 -11.340 23.893 1.00 5.44 H new ATOM 0 HD13 LEU A 17 10.007 -11.938 22.320 1.00 5.44 H new ATOM 0 HD21 LEU A 17 10.457 -9.129 21.113 1.00 30.25 H new ATOM 0 HD22 LEU A 17 9.662 -10.462 20.242 1.00 30.25 H new ATOM 0 HD23 LEU A 17 8.826 -8.903 20.438 1.00 30.25 H new ATOM 258 N TYR A 18 6.688 -7.946 20.305 1.00 75.24 N ATOM 259 CA TYR A 18 6.631 -7.177 19.055 1.00 4.22 C ATOM 260 C TYR A 18 7.962 -7.193 18.284 1.00 51.41 C ATOM 261 O TYR A 18 9.043 -7.069 18.871 1.00 22.11 O ATOM 262 CB TYR A 18 6.231 -5.725 19.353 1.00 44.23 C ATOM 263 CG TYR A 18 4.849 -5.581 19.965 1.00 1.41 C ATOM 264 CD1 TYR A 18 4.639 -5.810 21.321 1.00 12.35 C ATOM 265 CD2 TYR A 18 3.756 -5.214 19.185 1.00 20.04 C ATOM 266 CE1 TYR A 18 3.385 -5.676 21.880 1.00 1.44 C ATOM 267 CE2 TYR A 18 2.498 -5.078 19.740 1.00 61.42 C ATOM 268 CZ TYR A 18 2.318 -5.313 21.086 1.00 54.43 C ATOM 269 OH TYR A 18 1.066 -5.170 21.644 1.00 32.33 O ATOM 0 H TYR A 18 6.986 -7.402 21.115 1.00 75.24 H new ATOM 0 HA TYR A 18 5.883 -7.656 18.423 1.00 4.22 H new ATOM 0 HB2 TYR A 18 6.965 -5.288 20.030 1.00 44.23 H new ATOM 0 HB3 TYR A 18 6.269 -5.151 18.427 1.00 44.23 H new ATOM 0 HD1 TYR A 18 5.471 -6.097 21.946 1.00 12.35 H new ATOM 0 HD2 TYR A 18 3.893 -5.033 18.129 1.00 20.04 H new ATOM 0 HE1 TYR A 18 3.240 -5.855 22.935 1.00 1.44 H new ATOM 0 HE2 TYR A 18 1.660 -4.789 19.122 1.00 61.42 H new ATOM 0 HH TYR A 18 1.155 -4.965 22.598 1.00 32.33 H new ATOM 279 N PHE A 19 7.872 -7.345 16.963 1.00 3.24 N ATOM 280 CA PHE A 19 9.040 -7.232 16.080 1.00 73.44 C ATOM 281 C PHE A 19 9.304 -5.761 15.705 1.00 25.51 C ATOM 282 O PHE A 19 8.577 -4.860 16.136 1.00 61.30 O ATOM 283 CB PHE A 19 8.837 -8.079 14.814 1.00 24.35 C ATOM 284 CG PHE A 19 8.728 -9.560 15.091 1.00 2.31 C ATOM 285 CD1 PHE A 19 9.866 -10.320 15.335 1.00 14.43 C ATOM 286 CD2 PHE A 19 7.492 -10.193 15.111 1.00 74.35 C ATOM 287 CE1 PHE A 19 9.772 -11.674 15.593 1.00 40.23 C ATOM 288 CE2 PHE A 19 7.395 -11.548 15.367 1.00 14.21 C ATOM 289 CZ PHE A 19 8.535 -12.289 15.609 1.00 34.42 C ATOM 0 H PHE A 19 6.999 -7.548 16.476 1.00 3.24 H new ATOM 0 HA PHE A 19 9.911 -7.608 16.617 1.00 73.44 H new ATOM 0 HB2 PHE A 19 7.933 -7.745 14.304 1.00 24.35 H new ATOM 0 HB3 PHE A 19 9.670 -7.905 14.133 1.00 24.35 H new ATOM 0 HD1 PHE A 19 10.836 -9.846 15.323 1.00 14.43 H new ATOM 0 HD2 PHE A 19 6.596 -9.620 14.924 1.00 74.35 H new ATOM 0 HE1 PHE A 19 10.665 -12.251 15.782 1.00 40.23 H new ATOM 0 HE2 PHE A 19 6.427 -12.027 15.378 1.00 14.21 H new ATOM 0 HZ PHE A 19 8.460 -13.347 15.810 1.00 34.42 H new ATOM 299 N GLN A 20 10.339 -5.525 14.901 1.00 75.22 N ATOM 300 CA GLN A 20 10.750 -4.159 14.545 1.00 32.43 C ATOM 301 C GLN A 20 9.899 -3.556 13.415 1.00 53.10 C ATOM 302 O GLN A 20 9.461 -2.406 13.496 1.00 71.23 O ATOM 303 CB GLN A 20 12.229 -4.155 14.133 1.00 32.53 C ATOM 304 CG GLN A 20 12.744 -2.789 13.683 1.00 1.42 C ATOM 305 CD GLN A 20 14.206 -2.811 13.274 1.00 32.31 C ATOM 306 OE1 GLN A 20 14.721 -3.820 12.808 1.00 73.22 O ATOM 307 NE2 GLN A 20 14.881 -1.691 13.428 1.00 53.43 N ATOM 0 H GLN A 20 10.911 -6.258 14.482 1.00 75.22 H new ATOM 0 HA GLN A 20 10.599 -3.539 15.428 1.00 32.43 H new ATOM 0 HB2 GLN A 20 12.831 -4.500 14.974 1.00 32.53 H new ATOM 0 HB3 GLN A 20 12.372 -4.871 13.323 1.00 32.53 H new ATOM 0 HG2 GLN A 20 12.143 -2.439 12.844 1.00 1.42 H new ATOM 0 HG3 GLN A 20 12.610 -2.072 14.493 1.00 1.42 H new ATOM 0 HE21 GLN A 20 14.422 -0.869 13.819 1.00 53.43 H new ATOM 0 HE22 GLN A 20 15.863 -1.646 13.156 1.00 53.43 H new ATOM 316 N GLY A 21 9.684 -4.327 12.355 1.00 31.33 N ATOM 317 CA GLY A 21 9.012 -3.803 11.168 1.00 62.25 C ATOM 318 C GLY A 21 9.972 -3.041 10.258 1.00 60.33 C ATOM 319 O GLY A 21 10.160 -3.403 9.094 1.00 3.12 O ATOM 0 H GLY A 21 9.961 -5.307 12.291 1.00 31.33 H new ATOM 0 HA2 GLY A 21 8.562 -4.626 10.613 1.00 62.25 H new ATOM 0 HA3 GLY A 21 8.200 -3.143 11.473 1.00 62.25 H new ATOM 323 N HIS A 22 10.582 -1.983 10.808 1.00 2.24 N ATOM 324 CA HIS A 22 11.625 -1.207 10.119 1.00 73.40 C ATOM 325 C HIS A 22 11.074 -0.491 8.874 1.00 32.52 C ATOM 326 O HIS A 22 11.176 -0.999 7.761 1.00 13.52 O ATOM 327 CB HIS A 22 12.810 -2.121 9.743 1.00 44.43 C ATOM 328 CG HIS A 22 14.005 -1.403 9.182 1.00 45.51 C ATOM 329 ND1 HIS A 22 15.084 -1.026 9.953 1.00 63.22 N ATOM 330 CD2 HIS A 22 14.304 -1.021 7.915 1.00 33.24 C ATOM 331 CE1 HIS A 22 15.989 -0.448 9.191 1.00 10.30 C ATOM 332 NE2 HIS A 22 15.541 -0.430 7.952 1.00 53.40 N ATOM 0 H HIS A 22 10.367 -1.640 11.744 1.00 2.24 H new ATOM 0 HA HIS A 22 11.977 -0.438 10.806 1.00 73.40 H new ATOM 0 HB2 HIS A 22 13.119 -2.675 10.629 1.00 44.43 H new ATOM 0 HB3 HIS A 22 12.468 -2.854 9.012 1.00 44.43 H new ATOM 0 HD2 HIS A 22 13.684 -1.157 7.041 1.00 33.24 H new ATOM 0 HE1 HIS A 22 16.938 -0.055 9.525 1.00 10.30 H new ATOM 0 HE2 HIS A 22 16.035 -0.039 7.150 1.00 53.40 H new ATOM 341 N MET A 23 10.493 0.693 9.072 1.00 20.11 N ATOM 342 CA MET A 23 9.881 1.448 7.968 1.00 73.23 C ATOM 343 C MET A 23 10.911 2.186 7.105 1.00 42.21 C ATOM 344 O MET A 23 11.988 2.564 7.570 1.00 63.14 O ATOM 345 CB MET A 23 8.846 2.459 8.489 1.00 34.41 C ATOM 346 CG MET A 23 9.401 3.475 9.484 1.00 35.21 C ATOM 347 SD MET A 23 8.304 4.889 9.719 1.00 64.44 S ATOM 348 CE MET A 23 6.732 4.065 9.972 1.00 3.12 C ATOM 0 H MET A 23 10.431 1.152 9.981 1.00 20.11 H new ATOM 0 HA MET A 23 9.388 0.704 7.342 1.00 73.23 H new ATOM 0 HB2 MET A 23 8.421 2.995 7.640 1.00 34.41 H new ATOM 0 HB3 MET A 23 8.030 1.913 8.963 1.00 34.41 H new ATOM 0 HG2 MET A 23 9.566 2.985 10.444 1.00 35.21 H new ATOM 0 HG3 MET A 23 10.372 3.827 9.134 1.00 35.21 H new ATOM 0 HE1 MET A 23 5.986 4.794 10.288 1.00 3.12 H new ATOM 0 HE2 MET A 23 6.412 3.599 9.040 1.00 3.12 H new ATOM 0 HE3 MET A 23 6.841 3.301 10.741 1.00 3.12 H new ATOM 358 N LEU A 24 10.549 2.388 5.846 1.00 32.23 N ATOM 359 CA LEU A 24 11.355 3.161 4.896 1.00 61.53 C ATOM 360 C LEU A 24 10.597 4.400 4.420 1.00 31.34 C ATOM 361 O LEU A 24 9.387 4.347 4.183 1.00 45.13 O ATOM 362 CB LEU A 24 11.726 2.287 3.691 1.00 54.01 C ATOM 363 CG LEU A 24 12.906 1.331 3.918 1.00 51.12 C ATOM 364 CD1 LEU A 24 12.828 0.139 2.969 1.00 21.32 C ATOM 365 CD2 LEU A 24 14.230 2.069 3.731 1.00 25.20 C ATOM 0 H LEU A 24 9.685 2.021 5.447 1.00 32.23 H new ATOM 0 HA LEU A 24 12.264 3.485 5.404 1.00 61.53 H new ATOM 0 HB2 LEU A 24 10.853 1.700 3.405 1.00 54.01 H new ATOM 0 HB3 LEU A 24 11.962 2.938 2.849 1.00 54.01 H new ATOM 0 HG LEU A 24 12.852 0.959 4.941 1.00 51.12 H new ATOM 0 HD11 LEU A 24 13.674 -0.525 3.148 1.00 21.32 H new ATOM 0 HD12 LEU A 24 11.898 -0.403 3.142 1.00 21.32 H new ATOM 0 HD13 LEU A 24 12.856 0.492 1.938 1.00 21.32 H new ATOM 0 HD21 LEU A 24 15.058 1.379 3.895 1.00 25.20 H new ATOM 0 HD22 LEU A 24 14.285 2.467 2.718 1.00 25.20 H new ATOM 0 HD23 LEU A 24 14.294 2.889 4.447 1.00 25.20 H new ATOM 377 N GLU A 25 11.310 5.514 4.284 1.00 0.41 N ATOM 378 CA GLU A 25 10.716 6.741 3.747 1.00 53.13 C ATOM 379 C GLU A 25 10.625 6.683 2.224 1.00 23.55 C ATOM 380 O GLU A 25 11.633 6.741 1.511 1.00 64.21 O ATOM 381 CB GLU A 25 11.490 7.978 4.213 1.00 24.23 C ATOM 382 CG GLU A 25 11.005 8.489 5.562 1.00 45.42 C ATOM 383 CD GLU A 25 11.904 9.557 6.166 1.00 34.54 C ATOM 384 OE1 GLU A 25 12.937 9.199 6.774 1.00 42.34 O ATOM 385 OE2 GLU A 25 11.580 10.759 6.040 1.00 3.34 O ATOM 0 H GLU A 25 12.295 5.596 4.536 1.00 0.41 H new ATOM 0 HA GLU A 25 9.701 6.822 4.137 1.00 53.13 H new ATOM 0 HB2 GLU A 25 12.551 7.737 4.279 1.00 24.23 H new ATOM 0 HB3 GLU A 25 11.388 8.769 3.470 1.00 24.23 H new ATOM 0 HG2 GLU A 25 9.999 8.894 5.448 1.00 45.42 H new ATOM 0 HG3 GLU A 25 10.934 7.651 6.255 1.00 45.42 H new ATOM 392 N VAL A 26 9.398 6.581 1.744 1.00 62.53 N ATOM 393 CA VAL A 26 9.119 6.339 0.324 1.00 33.31 C ATOM 394 C VAL A 26 8.029 7.278 -0.213 1.00 64.15 C ATOM 395 O VAL A 26 7.284 7.890 0.553 1.00 35.21 O ATOM 396 CB VAL A 26 8.669 4.871 0.082 1.00 64.53 C ATOM 397 CG1 VAL A 26 9.766 3.882 0.479 1.00 53.00 C ATOM 398 CG2 VAL A 26 7.373 4.578 0.838 1.00 33.40 C ATOM 0 H VAL A 26 8.561 6.662 2.321 1.00 62.53 H new ATOM 0 HA VAL A 26 10.050 6.532 -0.208 1.00 33.31 H new ATOM 0 HB VAL A 26 8.483 4.747 -0.985 1.00 64.53 H new ATOM 0 HG11 VAL A 26 9.421 2.864 0.298 1.00 53.00 H new ATOM 0 HG12 VAL A 26 10.660 4.073 -0.114 1.00 53.00 H new ATOM 0 HG13 VAL A 26 10.000 4.003 1.537 1.00 53.00 H new ATOM 0 HG21 VAL A 26 7.072 3.546 0.658 1.00 33.40 H new ATOM 0 HG22 VAL A 26 7.533 4.728 1.906 1.00 33.40 H new ATOM 0 HG23 VAL A 26 6.589 5.251 0.490 1.00 33.40 H new ATOM 408 N GLU A 27 7.951 7.403 -1.534 1.00 55.24 N ATOM 409 CA GLU A 27 6.855 8.145 -2.165 1.00 4.10 C ATOM 410 C GLU A 27 5.781 7.177 -2.692 1.00 10.50 C ATOM 411 O GLU A 27 6.046 6.346 -3.561 1.00 41.34 O ATOM 412 CB GLU A 27 7.381 9.051 -3.291 1.00 23.24 C ATOM 413 CG GLU A 27 6.317 9.991 -3.859 1.00 1.51 C ATOM 414 CD GLU A 27 6.891 11.082 -4.753 1.00 24.04 C ATOM 415 OE1 GLU A 27 7.543 12.007 -4.222 1.00 43.53 O ATOM 416 OE2 GLU A 27 6.675 11.036 -5.984 1.00 53.12 O ATOM 0 H GLU A 27 8.626 7.005 -2.187 1.00 55.24 H new ATOM 0 HA GLU A 27 6.396 8.784 -1.411 1.00 4.10 H new ATOM 0 HB2 GLU A 27 8.214 9.643 -2.912 1.00 23.24 H new ATOM 0 HB3 GLU A 27 7.773 8.429 -4.096 1.00 23.24 H new ATOM 0 HG2 GLU A 27 5.594 9.408 -4.429 1.00 1.51 H new ATOM 0 HG3 GLU A 27 5.775 10.454 -3.035 1.00 1.51 H new ATOM 423 N VAL A 28 4.575 7.294 -2.144 1.00 34.01 N ATOM 424 CA VAL A 28 3.458 6.394 -2.454 1.00 15.10 C ATOM 425 C VAL A 28 2.620 6.922 -3.630 1.00 3.31 C ATOM 426 O VAL A 28 1.909 7.920 -3.512 1.00 11.13 O ATOM 427 CB VAL A 28 2.534 6.221 -1.218 1.00 4.23 C ATOM 428 CG1 VAL A 28 1.433 5.198 -1.494 1.00 4.24 C ATOM 429 CG2 VAL A 28 3.349 5.840 0.019 1.00 72.41 C ATOM 0 H VAL A 28 4.339 8.020 -1.467 1.00 34.01 H new ATOM 0 HA VAL A 28 3.889 5.432 -2.730 1.00 15.10 H new ATOM 0 HB VAL A 28 2.051 7.178 -1.019 1.00 4.23 H new ATOM 0 HG11 VAL A 28 0.801 5.097 -0.612 1.00 4.24 H new ATOM 0 HG12 VAL A 28 0.828 5.533 -2.337 1.00 4.24 H new ATOM 0 HG13 VAL A 28 1.883 4.234 -1.730 1.00 4.24 H new ATOM 0 HG21 VAL A 28 2.682 5.724 0.873 1.00 72.41 H new ATOM 0 HG22 VAL A 28 3.871 4.901 -0.164 1.00 72.41 H new ATOM 0 HG23 VAL A 28 4.076 6.624 0.231 1.00 72.41 H new ATOM 439 N ILE A 29 2.700 6.245 -4.762 1.00 53.14 N ATOM 440 CA ILE A 29 2.007 6.690 -5.972 1.00 54.42 C ATOM 441 C ILE A 29 0.613 6.063 -6.092 1.00 10.02 C ATOM 442 O ILE A 29 0.371 4.966 -5.597 1.00 22.11 O ATOM 443 CB ILE A 29 2.814 6.326 -7.238 1.00 21.32 C ATOM 444 CG1 ILE A 29 4.312 6.564 -7.006 1.00 24.04 C ATOM 445 CG2 ILE A 29 2.320 7.147 -8.431 1.00 12.11 C ATOM 446 CD1 ILE A 29 5.186 6.013 -8.106 1.00 55.12 C ATOM 0 H ILE A 29 3.236 5.385 -4.875 1.00 53.14 H new ATOM 0 HA ILE A 29 1.908 7.772 -5.891 1.00 54.42 H new ATOM 0 HB ILE A 29 2.665 5.268 -7.456 1.00 21.32 H new ATOM 0 HG12 ILE A 29 4.491 7.635 -6.912 1.00 24.04 H new ATOM 0 HG13 ILE A 29 4.602 6.108 -6.059 1.00 24.04 H new ATOM 0 HG21 ILE A 29 2.896 6.883 -9.318 1.00 12.11 H new ATOM 0 HG22 ILE A 29 1.265 6.935 -8.606 1.00 12.11 H new ATOM 0 HG23 ILE A 29 2.447 8.209 -8.219 1.00 12.11 H new ATOM 0 HD11 ILE A 29 6.232 6.217 -7.876 1.00 55.12 H new ATOM 0 HD12 ILE A 29 5.035 4.936 -8.186 1.00 55.12 H new ATOM 0 HD13 ILE A 29 4.923 6.487 -9.052 1.00 55.12 H new ATOM 458 N SER A 30 -0.294 6.766 -6.762 1.00 13.23 N ATOM 459 CA SER A 30 -1.616 6.219 -7.088 1.00 63.31 C ATOM 460 C SER A 30 -1.851 6.278 -8.599 1.00 2.32 C ATOM 461 O SER A 30 -2.290 7.297 -9.132 1.00 74.43 O ATOM 462 CB SER A 30 -2.728 6.977 -6.353 1.00 22.43 C ATOM 463 OG SER A 30 -3.989 6.346 -6.527 1.00 55.52 O ATOM 0 H SER A 30 -0.142 7.719 -7.093 1.00 13.23 H new ATOM 0 HA SER A 30 -1.641 5.180 -6.760 1.00 63.31 H new ATOM 0 HB2 SER A 30 -2.491 7.033 -5.291 1.00 22.43 H new ATOM 0 HB3 SER A 30 -2.778 8.001 -6.723 1.00 22.43 H new ATOM 0 HG SER A 30 -4.265 5.929 -5.684 1.00 55.52 H new ATOM 469 N GLY A 31 -1.526 5.189 -9.290 1.00 12.45 N ATOM 470 CA GLY A 31 -1.615 5.165 -10.747 1.00 31.42 C ATOM 471 C GLY A 31 -3.026 4.926 -11.265 1.00 1.11 C ATOM 472 O GLY A 31 -3.783 4.148 -10.683 1.00 14.12 O ATOM 0 H GLY A 31 -1.201 4.318 -8.869 1.00 12.45 H new ATOM 0 HA2 GLY A 31 -1.247 6.112 -11.141 1.00 31.42 H new ATOM 0 HA3 GLY A 31 -0.959 4.384 -11.130 1.00 31.42 H new ATOM 476 N ARG A 32 -3.368 5.581 -12.374 1.00 31.34 N ATOM 477 CA ARG A 32 -4.705 5.475 -12.966 1.00 53.24 C ATOM 478 C ARG A 32 -4.976 4.052 -13.491 1.00 11.03 C ATOM 479 O ARG A 32 -4.797 3.759 -14.674 1.00 54.34 O ATOM 480 CB ARG A 32 -4.854 6.515 -14.088 1.00 33.32 C ATOM 481 CG ARG A 32 -6.265 6.636 -14.660 1.00 44.53 C ATOM 482 CD ARG A 32 -6.378 7.823 -15.614 1.00 73.14 C ATOM 483 NE ARG A 32 -7.744 8.026 -16.092 1.00 43.22 N ATOM 484 CZ ARG A 32 -8.315 9.194 -16.202 1.00 74.21 C ATOM 485 NH1 ARG A 32 -7.696 10.269 -15.820 1.00 33.25 N ATOM 486 NH2 ARG A 32 -9.512 9.279 -16.671 1.00 51.10 N ATOM 0 H ARG A 32 -2.734 6.195 -12.885 1.00 31.34 H new ATOM 0 HA ARG A 32 -5.446 5.678 -12.193 1.00 53.24 H new ATOM 0 HB2 ARG A 32 -4.546 7.488 -13.706 1.00 33.32 H new ATOM 0 HB3 ARG A 32 -4.169 6.259 -14.896 1.00 33.32 H new ATOM 0 HG2 ARG A 32 -6.526 5.718 -15.186 1.00 44.53 H new ATOM 0 HG3 ARG A 32 -6.981 6.752 -13.846 1.00 44.53 H new ATOM 0 HD2 ARG A 32 -6.035 8.726 -15.108 1.00 73.14 H new ATOM 0 HD3 ARG A 32 -5.718 7.665 -16.466 1.00 73.14 H new ATOM 0 HE ARG A 32 -8.285 7.203 -16.356 1.00 43.22 H new ATOM 0 HH11 ARG A 32 -6.756 10.205 -15.430 1.00 33.25 H new ATOM 0 HH12 ARG A 32 -8.150 11.178 -15.910 1.00 33.25 H new ATOM 0 HH21 ARG A 32 -10.010 8.435 -16.955 1.00 51.10 H new ATOM 0 HH22 ARG A 32 -9.962 10.190 -16.759 1.00 51.10 H new ATOM 500 N THR A 33 -5.371 3.165 -12.583 1.00 13.22 N ATOM 501 CA THR A 33 -5.655 1.762 -12.914 1.00 50.13 C ATOM 502 C THR A 33 -7.161 1.500 -12.988 1.00 41.40 C ATOM 503 O THR A 33 -7.904 1.867 -12.075 1.00 64.32 O ATOM 504 CB THR A 33 -5.040 0.806 -11.866 1.00 40.23 C ATOM 505 OG1 THR A 33 -5.522 1.141 -10.550 1.00 21.32 O ATOM 506 CG2 THR A 33 -3.516 0.880 -11.888 1.00 74.22 C ATOM 0 H THR A 33 -5.505 3.392 -11.598 1.00 13.22 H new ATOM 0 HA THR A 33 -5.207 1.573 -13.889 1.00 50.13 H new ATOM 0 HB THR A 33 -5.341 -0.211 -12.116 1.00 40.23 H new ATOM 0 HG1 THR A 33 -6.426 1.512 -10.618 1.00 21.32 H new ATOM 0 HG21 THR A 33 -3.108 0.198 -11.142 1.00 74.22 H new ATOM 0 HG22 THR A 33 -3.152 0.597 -12.876 1.00 74.22 H new ATOM 0 HG23 THR A 33 -3.198 1.898 -11.662 1.00 74.22 H new ATOM 514 N LEU A 34 -7.599 0.839 -14.063 1.00 73.10 N ATOM 515 CA LEU A 34 -9.030 0.616 -14.324 1.00 1.13 C ATOM 516 C LEU A 34 -9.775 1.949 -14.521 1.00 22.02 C ATOM 517 O LEU A 34 -9.179 3.025 -14.481 1.00 64.33 O ATOM 518 CB LEU A 34 -9.698 -0.201 -13.194 1.00 63.13 C ATOM 519 CG LEU A 34 -9.350 -1.704 -13.137 1.00 13.31 C ATOM 520 CD1 LEU A 34 -7.868 -1.928 -12.847 1.00 33.11 C ATOM 521 CD2 LEU A 34 -10.217 -2.416 -12.096 1.00 13.02 C ATOM 0 H LEU A 34 -6.981 0.445 -14.773 1.00 73.10 H new ATOM 0 HA LEU A 34 -9.097 0.038 -15.246 1.00 1.13 H new ATOM 0 HB2 LEU A 34 -9.425 0.249 -12.240 1.00 63.13 H new ATOM 0 HB3 LEU A 34 -10.779 -0.104 -13.295 1.00 63.13 H new ATOM 0 HG LEU A 34 -9.561 -2.130 -14.118 1.00 13.31 H new ATOM 0 HD11 LEU A 34 -7.661 -2.998 -12.814 1.00 33.11 H new ATOM 0 HD12 LEU A 34 -7.270 -1.467 -13.633 1.00 33.11 H new ATOM 0 HD13 LEU A 34 -7.613 -1.480 -11.887 1.00 33.11 H new ATOM 0 HD21 LEU A 34 -9.958 -3.474 -12.069 1.00 13.02 H new ATOM 0 HD22 LEU A 34 -10.043 -1.975 -11.114 1.00 13.02 H new ATOM 0 HD23 LEU A 34 -11.268 -2.306 -12.362 1.00 13.02 H new ATOM 533 N ASN A 35 -11.083 1.871 -14.744 1.00 55.51 N ATOM 534 CA ASN A 35 -11.905 3.072 -14.931 1.00 23.21 C ATOM 535 C ASN A 35 -12.430 3.605 -13.590 1.00 63.42 C ATOM 536 O ASN A 35 -13.168 2.913 -12.883 1.00 42.40 O ATOM 537 CB ASN A 35 -13.082 2.777 -15.869 1.00 63.21 C ATOM 538 CG ASN A 35 -12.628 2.448 -17.277 1.00 44.13 C ATOM 539 OD1 ASN A 35 -12.340 1.299 -17.600 1.00 72.23 O ATOM 540 ND2 ASN A 35 -12.567 3.450 -18.130 1.00 51.41 N ATOM 0 H ASN A 35 -11.600 0.993 -14.800 1.00 55.51 H new ATOM 0 HA ASN A 35 -11.272 3.837 -15.380 1.00 23.21 H new ATOM 0 HB2 ASN A 35 -13.660 1.942 -15.472 1.00 63.21 H new ATOM 0 HB3 ASN A 35 -13.747 3.640 -15.897 1.00 63.21 H new ATOM 0 HD21 ASN A 35 -12.273 3.283 -19.092 1.00 51.41 H new ATOM 0 HD22 ASN A 35 -12.813 4.393 -17.828 1.00 51.41 H new ATOM 547 N GLN A 36 -12.031 4.828 -13.244 1.00 51.45 N ATOM 548 CA GLN A 36 -12.561 5.517 -12.061 1.00 75.24 C ATOM 549 C GLN A 36 -13.967 6.080 -12.351 1.00 65.24 C ATOM 550 O GLN A 36 -14.689 5.554 -13.199 1.00 71.35 O ATOM 551 CB GLN A 36 -11.611 6.650 -11.624 1.00 33.34 C ATOM 552 CG GLN A 36 -10.351 6.181 -10.897 1.00 55.52 C ATOM 553 CD GLN A 36 -9.438 5.326 -11.759 1.00 54.14 C ATOM 554 OE1 GLN A 36 -8.576 5.837 -12.462 1.00 21.32 O ATOM 555 NE2 GLN A 36 -9.605 4.020 -11.697 1.00 61.45 N ATOM 0 H GLN A 36 -11.340 5.367 -13.766 1.00 51.45 H new ATOM 0 HA GLN A 36 -12.636 4.795 -11.248 1.00 75.24 H new ATOM 0 HB2 GLN A 36 -11.315 7.218 -12.506 1.00 33.34 H new ATOM 0 HB3 GLN A 36 -12.157 7.333 -10.973 1.00 33.34 H new ATOM 0 HG2 GLN A 36 -9.797 7.052 -10.548 1.00 55.52 H new ATOM 0 HG3 GLN A 36 -10.641 5.612 -10.013 1.00 55.52 H new ATOM 0 HE21 GLN A 36 -10.333 3.627 -11.101 1.00 61.45 H new ATOM 0 HE22 GLN A 36 -9.006 3.403 -12.245 1.00 61.45 H new ATOM 564 N GLY A 37 -14.363 7.134 -11.639 1.00 64.12 N ATOM 565 CA GLY A 37 -15.683 7.719 -11.848 1.00 1.12 C ATOM 566 C GLY A 37 -16.779 6.978 -11.089 1.00 63.34 C ATOM 567 O GLY A 37 -17.485 7.570 -10.271 1.00 54.43 O ATOM 0 H GLY A 37 -13.798 7.593 -10.924 1.00 64.12 H new ATOM 0 HA2 GLY A 37 -15.668 8.762 -11.532 1.00 1.12 H new ATOM 0 HA3 GLY A 37 -15.915 7.712 -12.913 1.00 1.12 H new ATOM 571 N ALA A 38 -16.920 5.681 -11.359 1.00 74.32 N ATOM 572 CA ALA A 38 -17.907 4.844 -10.667 1.00 70.32 C ATOM 573 C ALA A 38 -17.540 4.633 -9.193 1.00 22.02 C ATOM 574 O ALA A 38 -16.363 4.495 -8.848 1.00 43.53 O ATOM 575 CB ALA A 38 -18.037 3.490 -11.358 1.00 3.25 C ATOM 0 H ALA A 38 -16.363 5.183 -12.053 1.00 74.32 H new ATOM 0 HA ALA A 38 -18.861 5.369 -10.709 1.00 70.32 H new ATOM 0 HB1 ALA A 38 -18.773 2.882 -10.832 1.00 3.25 H new ATOM 0 HB2 ALA A 38 -18.358 3.637 -12.389 1.00 3.25 H new ATOM 0 HB3 ALA A 38 -17.073 2.982 -11.347 1.00 3.25 H new ATOM 581 N THR A 39 -18.545 4.615 -8.329 1.00 24.51 N ATOM 582 CA THR A 39 -18.335 4.274 -6.920 1.00 60.42 C ATOM 583 C THR A 39 -17.940 2.802 -6.780 1.00 30.55 C ATOM 584 O THR A 39 -18.258 1.977 -7.644 1.00 22.33 O ATOM 585 CB THR A 39 -19.608 4.518 -6.069 1.00 72.35 C ATOM 586 OG1 THR A 39 -20.677 3.666 -6.520 1.00 71.23 O ATOM 587 CG2 THR A 39 -20.044 5.978 -6.140 1.00 2.32 C ATOM 0 H THR A 39 -19.512 4.831 -8.573 1.00 24.51 H new ATOM 0 HA THR A 39 -17.536 4.920 -6.556 1.00 60.42 H new ATOM 0 HB THR A 39 -19.371 4.281 -5.032 1.00 72.35 H new ATOM 0 HG1 THR A 39 -21.535 4.029 -6.217 1.00 71.23 H new ATOM 0 HG21 THR A 39 -20.939 6.120 -5.534 1.00 2.32 H new ATOM 0 HG22 THR A 39 -19.245 6.615 -5.762 1.00 2.32 H new ATOM 0 HG23 THR A 39 -20.261 6.243 -7.175 1.00 2.32 H new ATOM 595 N VAL A 40 -17.248 2.465 -5.694 1.00 44.32 N ATOM 596 CA VAL A 40 -16.908 1.063 -5.417 1.00 22.43 C ATOM 597 C VAL A 40 -18.185 0.212 -5.333 1.00 44.23 C ATOM 598 O VAL A 40 -18.158 -0.993 -5.557 1.00 23.24 O ATOM 599 CB VAL A 40 -16.090 0.904 -4.110 1.00 25.42 C ATOM 600 CG1 VAL A 40 -14.788 1.701 -4.177 1.00 63.34 C ATOM 601 CG2 VAL A 40 -16.920 1.311 -2.899 1.00 42.30 C ATOM 0 H VAL A 40 -16.913 3.130 -4.997 1.00 44.32 H new ATOM 0 HA VAL A 40 -16.286 0.716 -6.242 1.00 22.43 H new ATOM 0 HB VAL A 40 -15.830 -0.149 -4.001 1.00 25.42 H new ATOM 0 HG11 VAL A 40 -14.234 1.572 -3.247 1.00 63.34 H new ATOM 0 HG12 VAL A 40 -14.185 1.343 -5.012 1.00 63.34 H new ATOM 0 HG13 VAL A 40 -15.015 2.757 -4.320 1.00 63.34 H new ATOM 0 HG21 VAL A 40 -16.325 1.191 -1.993 1.00 42.30 H new ATOM 0 HG22 VAL A 40 -17.223 2.353 -2.999 1.00 42.30 H new ATOM 0 HG23 VAL A 40 -17.807 0.680 -2.837 1.00 42.30 H new ATOM 611 N GLU A 41 -19.299 0.869 -5.004 1.00 10.12 N ATOM 612 CA GLU A 41 -20.624 0.243 -5.002 1.00 1.11 C ATOM 613 C GLU A 41 -21.015 -0.220 -6.419 1.00 74.53 C ATOM 614 O GLU A 41 -21.403 -1.370 -6.624 1.00 41.51 O ATOM 615 CB GLU A 41 -21.658 1.249 -4.486 1.00 70.23 C ATOM 616 CG GLU A 41 -23.075 0.699 -4.396 1.00 40.30 C ATOM 617 CD GLU A 41 -24.109 1.801 -4.233 1.00 34.42 C ATOM 618 OE1 GLU A 41 -24.204 2.381 -3.131 1.00 12.45 O ATOM 619 OE2 GLU A 41 -24.816 2.113 -5.217 1.00 73.53 O ATOM 0 H GLU A 41 -19.308 1.852 -4.731 1.00 10.12 H new ATOM 0 HA GLU A 41 -20.597 -0.631 -4.351 1.00 1.11 H new ATOM 0 HB2 GLU A 41 -21.351 1.594 -3.499 1.00 70.23 H new ATOM 0 HB3 GLU A 41 -21.659 2.120 -5.142 1.00 70.23 H new ATOM 0 HG2 GLU A 41 -23.298 0.124 -5.295 1.00 40.30 H new ATOM 0 HG3 GLU A 41 -23.143 0.011 -3.553 1.00 40.30 H new ATOM 626 N GLU A 42 -20.919 0.697 -7.388 1.00 4.31 N ATOM 627 CA GLU A 42 -21.156 0.371 -8.804 1.00 1.44 C ATOM 628 C GLU A 42 -20.237 -0.763 -9.276 1.00 71.32 C ATOM 629 O GLU A 42 -20.670 -1.695 -9.960 1.00 5.24 O ATOM 630 CB GLU A 42 -20.927 1.610 -9.685 1.00 61.20 C ATOM 631 CG GLU A 42 -22.039 2.648 -9.611 1.00 53.44 C ATOM 632 CD GLU A 42 -23.346 2.149 -10.215 1.00 40.33 C ATOM 633 OE1 GLU A 42 -23.452 2.095 -11.460 1.00 30.31 O ATOM 634 OE2 GLU A 42 -24.273 1.808 -9.449 1.00 11.43 O ATOM 0 H GLU A 42 -20.678 1.674 -7.220 1.00 4.31 H new ATOM 0 HA GLU A 42 -22.191 0.043 -8.896 1.00 1.44 H new ATOM 0 HB2 GLU A 42 -19.988 2.080 -9.393 1.00 61.20 H new ATOM 0 HB3 GLU A 42 -20.814 1.289 -10.721 1.00 61.20 H new ATOM 0 HG2 GLU A 42 -22.206 2.923 -8.570 1.00 53.44 H new ATOM 0 HG3 GLU A 42 -21.723 3.551 -10.133 1.00 53.44 H new ATOM 641 N LYS A 43 -18.967 -0.673 -8.902 1.00 50.43 N ATOM 642 CA LYS A 43 -17.956 -1.654 -9.308 1.00 70.10 C ATOM 643 C LYS A 43 -17.707 -2.694 -8.202 1.00 30.11 C ATOM 644 O LYS A 43 -16.600 -3.223 -8.072 1.00 62.44 O ATOM 645 CB LYS A 43 -16.652 -0.922 -9.653 1.00 34.45 C ATOM 646 CG LYS A 43 -16.814 0.129 -10.749 1.00 21.33 C ATOM 647 CD LYS A 43 -15.539 0.940 -10.970 1.00 11.45 C ATOM 648 CE LYS A 43 -14.364 0.071 -11.396 1.00 43.11 C ATOM 649 NZ LYS A 43 -14.654 -0.690 -12.640 1.00 64.44 N ATOM 0 H LYS A 43 -18.605 0.076 -8.312 1.00 50.43 H new ATOM 0 HA LYS A 43 -18.322 -2.188 -10.185 1.00 70.10 H new ATOM 0 HB2 LYS A 43 -16.266 -0.441 -8.754 1.00 34.45 H new ATOM 0 HB3 LYS A 43 -15.907 -1.653 -9.969 1.00 34.45 H new ATOM 0 HG2 LYS A 43 -17.095 -0.362 -11.681 1.00 21.33 H new ATOM 0 HG3 LYS A 43 -17.629 0.803 -10.485 1.00 21.33 H new ATOM 0 HD2 LYS A 43 -15.721 1.698 -11.732 1.00 11.45 H new ATOM 0 HD3 LYS A 43 -15.283 1.467 -10.051 1.00 11.45 H new ATOM 0 HE2 LYS A 43 -13.487 0.699 -11.552 1.00 43.11 H new ATOM 0 HE3 LYS A 43 -14.119 -0.625 -10.594 1.00 43.11 H new ATOM 0 HZ1 LYS A 43 -13.780 -1.133 -12.987 1.00 64.44 H new ATOM 0 HZ2 LYS A 43 -15.360 -1.427 -12.440 1.00 64.44 H new ATOM 0 HZ3 LYS A 43 -15.025 -0.043 -13.364 1.00 64.44 H new ATOM 663 N LEU A 44 -18.743 -2.994 -7.417 1.00 73.14 N ATOM 664 CA LEU A 44 -18.637 -3.964 -6.320 1.00 74.11 C ATOM 665 C LEU A 44 -18.404 -5.382 -6.874 1.00 33.01 C ATOM 666 O LEU A 44 -19.344 -6.162 -7.043 1.00 51.33 O ATOM 667 CB LEU A 44 -19.913 -3.928 -5.444 1.00 20.41 C ATOM 668 CG LEU A 44 -19.715 -4.174 -3.931 1.00 11.22 C ATOM 669 CD1 LEU A 44 -18.950 -5.471 -3.671 1.00 62.53 C ATOM 670 CD2 LEU A 44 -19.018 -2.982 -3.277 1.00 0.01 C ATOM 0 H LEU A 44 -19.669 -2.579 -7.519 1.00 73.14 H new ATOM 0 HA LEU A 44 -17.783 -3.693 -5.700 1.00 74.11 H new ATOM 0 HB2 LEU A 44 -20.388 -2.956 -5.573 1.00 20.41 H new ATOM 0 HB3 LEU A 44 -20.609 -4.676 -5.824 1.00 20.41 H new ATOM 0 HG LEU A 44 -20.701 -4.282 -3.478 1.00 11.22 H new ATOM 0 HD11 LEU A 44 -18.829 -5.613 -2.597 1.00 62.53 H new ATOM 0 HD12 LEU A 44 -19.506 -6.311 -4.087 1.00 62.53 H new ATOM 0 HD13 LEU A 44 -17.969 -5.416 -4.143 1.00 62.53 H new ATOM 0 HD21 LEU A 44 -18.888 -3.176 -2.212 1.00 0.01 H new ATOM 0 HD22 LEU A 44 -18.043 -2.832 -3.740 1.00 0.01 H new ATOM 0 HD23 LEU A 44 -19.625 -2.087 -3.412 1.00 0.01 H new ATOM 682 N THR A 45 -17.150 -5.698 -7.184 1.00 44.53 N ATOM 683 CA THR A 45 -16.792 -7.008 -7.742 1.00 14.31 C ATOM 684 C THR A 45 -15.421 -7.481 -7.254 1.00 42.21 C ATOM 685 O THR A 45 -14.592 -6.679 -6.814 1.00 21.33 O ATOM 686 CB THR A 45 -16.782 -6.989 -9.294 1.00 55.44 C ATOM 687 OG1 THR A 45 -16.329 -8.256 -9.804 1.00 25.22 O ATOM 688 CG2 THR A 45 -15.885 -5.874 -9.827 1.00 43.44 C ATOM 0 H THR A 45 -16.359 -5.066 -7.060 1.00 44.53 H new ATOM 0 HA THR A 45 -17.558 -7.700 -7.392 1.00 14.31 H new ATOM 0 HB THR A 45 -17.802 -6.804 -9.631 1.00 55.44 H new ATOM 0 HG1 THR A 45 -16.328 -8.233 -10.784 1.00 25.22 H new ATOM 0 HG21 THR A 45 -15.898 -5.886 -10.917 1.00 43.44 H new ATOM 0 HG22 THR A 45 -16.250 -4.911 -9.470 1.00 43.44 H new ATOM 0 HG23 THR A 45 -14.865 -6.028 -9.475 1.00 43.44 H new ATOM 696 N GLU A 46 -15.187 -8.790 -7.346 1.00 62.04 N ATOM 697 CA GLU A 46 -13.907 -9.393 -6.955 1.00 55.11 C ATOM 698 C GLU A 46 -12.723 -8.719 -7.669 1.00 12.21 C ATOM 699 O GLU A 46 -11.623 -8.627 -7.122 1.00 44.20 O ATOM 700 CB GLU A 46 -13.922 -10.898 -7.268 1.00 71.32 C ATOM 701 CG GLU A 46 -12.681 -11.647 -6.789 1.00 10.04 C ATOM 702 CD GLU A 46 -12.725 -13.132 -7.113 1.00 54.43 C ATOM 703 OE1 GLU A 46 -13.443 -13.878 -6.414 1.00 5.15 O ATOM 704 OE2 GLU A 46 -12.042 -13.561 -8.071 1.00 54.20 O ATOM 0 H GLU A 46 -15.873 -9.461 -7.691 1.00 62.04 H new ATOM 0 HA GLU A 46 -13.779 -9.244 -5.883 1.00 55.11 H new ATOM 0 HB2 GLU A 46 -14.803 -11.345 -6.808 1.00 71.32 H new ATOM 0 HB3 GLU A 46 -14.022 -11.033 -8.345 1.00 71.32 H new ATOM 0 HG2 GLU A 46 -11.797 -11.206 -7.249 1.00 10.04 H new ATOM 0 HG3 GLU A 46 -12.578 -11.518 -5.712 1.00 10.04 H new ATOM 711 N GLU A 47 -12.960 -8.226 -8.887 1.00 12.23 N ATOM 712 CA GLU A 47 -11.916 -7.545 -9.662 1.00 70.23 C ATOM 713 C GLU A 47 -11.378 -6.307 -8.917 1.00 70.53 C ATOM 714 O GLU A 47 -10.180 -6.016 -8.960 1.00 44.44 O ATOM 715 CB GLU A 47 -12.445 -7.147 -11.049 1.00 3.54 C ATOM 716 CG GLU A 47 -11.397 -6.473 -11.932 1.00 2.13 C ATOM 717 CD GLU A 47 -11.889 -6.209 -13.344 1.00 21.24 C ATOM 718 OE1 GLU A 47 -12.529 -5.163 -13.574 1.00 13.40 O ATOM 719 OE2 GLU A 47 -11.626 -7.041 -14.240 1.00 12.52 O ATOM 0 H GLU A 47 -13.863 -8.285 -9.358 1.00 12.23 H new ATOM 0 HA GLU A 47 -11.090 -8.244 -9.789 1.00 70.23 H new ATOM 0 HB2 GLU A 47 -12.817 -8.037 -11.556 1.00 3.54 H new ATOM 0 HB3 GLU A 47 -13.292 -6.473 -10.926 1.00 3.54 H new ATOM 0 HG2 GLU A 47 -11.098 -5.529 -11.475 1.00 2.13 H new ATOM 0 HG3 GLU A 47 -10.508 -7.102 -11.975 1.00 2.13 H new ATOM 726 N TYR A 48 -12.261 -5.595 -8.211 1.00 71.40 N ATOM 727 CA TYR A 48 -11.846 -4.437 -7.407 1.00 52.12 C ATOM 728 C TYR A 48 -10.951 -4.900 -6.239 1.00 2.13 C ATOM 729 O TYR A 48 -10.108 -4.152 -5.739 1.00 40.01 O ATOM 730 CB TYR A 48 -13.083 -3.669 -6.882 1.00 4.10 C ATOM 731 CG TYR A 48 -12.968 -2.150 -6.978 1.00 31.03 C ATOM 732 CD1 TYR A 48 -11.837 -1.484 -6.520 1.00 30.14 C ATOM 733 CD2 TYR A 48 -13.995 -1.382 -7.530 1.00 1.14 C ATOM 734 CE1 TYR A 48 -11.729 -0.108 -6.613 1.00 24.41 C ATOM 735 CE2 TYR A 48 -13.892 -0.004 -7.625 1.00 35.02 C ATOM 736 CZ TYR A 48 -12.757 0.626 -7.167 1.00 35.23 C ATOM 737 OH TYR A 48 -12.650 1.998 -7.255 1.00 13.42 O ATOM 0 H TYR A 48 -13.260 -5.796 -8.178 1.00 71.40 H new ATOM 0 HA TYR A 48 -11.271 -3.758 -8.037 1.00 52.12 H new ATOM 0 HB2 TYR A 48 -13.961 -3.991 -7.442 1.00 4.10 H new ATOM 0 HB3 TYR A 48 -13.251 -3.944 -5.841 1.00 4.10 H new ATOM 0 HD1 TYR A 48 -11.028 -2.051 -6.084 1.00 30.14 H new ATOM 0 HD2 TYR A 48 -14.887 -1.872 -7.890 1.00 1.14 H new ATOM 0 HE1 TYR A 48 -10.841 0.391 -6.252 1.00 24.41 H new ATOM 0 HE2 TYR A 48 -14.697 0.573 -8.056 1.00 35.02 H new ATOM 0 HH TYR A 48 -13.459 2.363 -7.671 1.00 13.42 H new ATOM 747 N PHE A 49 -11.134 -6.156 -5.828 1.00 34.30 N ATOM 748 CA PHE A 49 -10.322 -6.768 -4.767 1.00 2.04 C ATOM 749 C PHE A 49 -9.027 -7.380 -5.343 1.00 2.13 C ATOM 750 O PHE A 49 -8.072 -7.651 -4.618 1.00 12.41 O ATOM 751 CB PHE A 49 -11.151 -7.845 -4.040 1.00 72.54 C ATOM 752 CG PHE A 49 -10.500 -8.394 -2.793 1.00 5.21 C ATOM 753 CD1 PHE A 49 -10.642 -7.741 -1.576 1.00 74.43 C ATOM 754 CD2 PHE A 49 -9.752 -9.563 -2.835 1.00 22.44 C ATOM 755 CE1 PHE A 49 -10.051 -8.239 -0.431 1.00 4.45 C ATOM 756 CE2 PHE A 49 -9.159 -10.064 -1.692 1.00 52.43 C ATOM 757 CZ PHE A 49 -9.308 -9.403 -0.489 1.00 60.05 C ATOM 0 H PHE A 49 -11.844 -6.777 -6.216 1.00 34.30 H new ATOM 0 HA PHE A 49 -10.035 -5.994 -4.056 1.00 2.04 H new ATOM 0 HB2 PHE A 49 -12.120 -7.423 -3.774 1.00 72.54 H new ATOM 0 HB3 PHE A 49 -11.340 -8.668 -4.729 1.00 72.54 H new ATOM 0 HD1 PHE A 49 -11.222 -6.832 -1.524 1.00 74.43 H new ATOM 0 HD2 PHE A 49 -9.632 -10.087 -3.772 1.00 22.44 H new ATOM 0 HE1 PHE A 49 -10.169 -7.719 0.508 1.00 4.45 H new ATOM 0 HE2 PHE A 49 -8.578 -10.973 -1.740 1.00 52.43 H new ATOM 0 HZ PHE A 49 -8.845 -9.795 0.405 1.00 60.05 H new ATOM 767 N ASN A 50 -8.997 -7.596 -6.655 1.00 73.24 N ATOM 768 CA ASN A 50 -7.808 -8.147 -7.317 1.00 45.14 C ATOM 769 C ASN A 50 -6.781 -7.054 -7.665 1.00 73.42 C ATOM 770 O ASN A 50 -5.575 -7.228 -7.462 1.00 30.14 O ATOM 771 CB ASN A 50 -8.206 -8.887 -8.601 1.00 34.14 C ATOM 772 CG ASN A 50 -9.072 -10.104 -8.340 1.00 40.20 C ATOM 773 OD1 ASN A 50 -8.958 -10.760 -7.312 1.00 2.21 O ATOM 774 ND2 ASN A 50 -9.938 -10.424 -9.281 1.00 61.13 N ATOM 0 H ASN A 50 -9.777 -7.400 -7.283 1.00 73.24 H new ATOM 0 HA ASN A 50 -7.346 -8.840 -6.614 1.00 45.14 H new ATOM 0 HB2 ASN A 50 -8.741 -8.201 -9.258 1.00 34.14 H new ATOM 0 HB3 ASN A 50 -7.304 -9.196 -9.130 1.00 34.14 H new ATOM 0 HD21 ASN A 50 -10.539 -11.240 -9.165 1.00 61.13 H new ATOM 0 HD22 ASN A 50 -10.007 -9.856 -10.125 1.00 61.13 H new ATOM 781 N ALA A 51 -7.267 -5.928 -8.183 1.00 52.24 N ATOM 782 CA ALA A 51 -6.393 -4.891 -8.744 1.00 52.52 C ATOM 783 C ALA A 51 -5.765 -3.969 -7.681 1.00 71.52 C ATOM 784 O ALA A 51 -4.553 -3.958 -7.498 1.00 43.24 O ATOM 785 CB ALA A 51 -7.177 -4.060 -9.756 1.00 1.41 C ATOM 0 H ALA A 51 -8.262 -5.707 -8.228 1.00 52.24 H new ATOM 0 HA ALA A 51 -5.563 -5.407 -9.228 1.00 52.52 H new ATOM 0 HB1 ALA A 51 -6.529 -3.289 -10.174 1.00 1.41 H new ATOM 0 HB2 ALA A 51 -7.536 -4.706 -10.557 1.00 1.41 H new ATOM 0 HB3 ALA A 51 -8.027 -3.590 -9.261 1.00 1.41 H new ATOM 791 N VAL A 52 -6.594 -3.216 -6.966 1.00 4.21 N ATOM 792 CA VAL A 52 -6.105 -2.115 -6.116 1.00 71.44 C ATOM 793 C VAL A 52 -5.736 -2.555 -4.685 1.00 72.22 C ATOM 794 O VAL A 52 -5.667 -1.726 -3.780 1.00 24.51 O ATOM 795 CB VAL A 52 -7.168 -0.990 -6.036 1.00 63.11 C ATOM 796 CG1 VAL A 52 -7.496 -0.456 -7.429 1.00 63.12 C ATOM 797 CG2 VAL A 52 -8.433 -1.487 -5.336 1.00 52.52 C ATOM 0 H VAL A 52 -7.606 -3.340 -6.952 1.00 4.21 H new ATOM 0 HA VAL A 52 -5.191 -1.755 -6.589 1.00 71.44 H new ATOM 0 HB VAL A 52 -6.753 -0.173 -5.447 1.00 63.11 H new ATOM 0 HG11 VAL A 52 -8.244 0.333 -7.349 1.00 63.12 H new ATOM 0 HG12 VAL A 52 -6.592 -0.054 -7.887 1.00 63.12 H new ATOM 0 HG13 VAL A 52 -7.886 -1.265 -8.046 1.00 63.12 H new ATOM 0 HG21 VAL A 52 -9.165 -0.681 -5.291 1.00 52.52 H new ATOM 0 HG22 VAL A 52 -8.851 -2.326 -5.892 1.00 52.52 H new ATOM 0 HG23 VAL A 52 -8.186 -1.809 -4.324 1.00 52.52 H new ATOM 807 N ASN A 53 -5.476 -3.846 -4.480 1.00 75.43 N ATOM 808 CA ASN A 53 -5.251 -4.375 -3.120 1.00 63.34 C ATOM 809 C ASN A 53 -3.772 -4.683 -2.827 1.00 62.35 C ATOM 810 O ASN A 53 -3.453 -5.315 -1.817 1.00 52.32 O ATOM 811 CB ASN A 53 -6.090 -5.641 -2.894 1.00 62.21 C ATOM 812 CG ASN A 53 -7.587 -5.382 -2.918 1.00 50.41 C ATOM 813 OD1 ASN A 53 -8.043 -4.510 -3.794 1.00 61.12 O flip ATOM 814 ND2 ASN A 53 -8.340 -5.988 -2.173 1.00 52.00 N flip ATOM 0 H ASN A 53 -5.415 -4.543 -5.222 1.00 75.43 H new ATOM 0 HA ASN A 53 -5.561 -3.589 -2.431 1.00 63.34 H new ATOM 0 HB2 ASN A 53 -5.843 -6.374 -3.662 1.00 62.21 H new ATOM 0 HB3 ASN A 53 -5.820 -6.081 -1.934 1.00 62.21 H new ATOM 0 HD21 ASN A 53 -7.964 -6.658 -1.503 1.00 52.00 H new ATOM 0 HD22 ASN A 53 -9.346 -5.824 -2.221 1.00 52.00 H new ATOM 821 N TYR A 54 -2.864 -4.225 -3.683 1.00 34.11 N ATOM 822 CA TYR A 54 -1.437 -4.496 -3.480 1.00 54.01 C ATOM 823 C TYR A 54 -0.577 -3.257 -3.753 1.00 50.20 C ATOM 824 O TYR A 54 -1.033 -2.286 -4.361 1.00 33.51 O ATOM 825 CB TYR A 54 -0.977 -5.663 -4.369 1.00 52.14 C ATOM 826 CG TYR A 54 -0.793 -5.307 -5.837 1.00 41.33 C ATOM 827 CD1 TYR A 54 -1.880 -5.221 -6.699 1.00 52.15 C ATOM 828 CD2 TYR A 54 0.474 -5.054 -6.355 1.00 62.12 C ATOM 829 CE1 TYR A 54 -1.709 -4.898 -8.033 1.00 62.42 C ATOM 830 CE2 TYR A 54 0.651 -4.732 -7.686 1.00 24.33 C ATOM 831 CZ TYR A 54 -0.442 -4.652 -8.520 1.00 74.14 C ATOM 832 OH TYR A 54 -0.261 -4.339 -9.850 1.00 4.25 O ATOM 0 H TYR A 54 -3.081 -3.673 -4.513 1.00 34.11 H new ATOM 0 HA TYR A 54 -1.305 -4.770 -2.433 1.00 54.01 H new ATOM 0 HB2 TYR A 54 -0.034 -6.048 -3.981 1.00 52.14 H new ATOM 0 HB3 TYR A 54 -1.706 -6.470 -4.293 1.00 52.14 H new ATOM 0 HD1 TYR A 54 -2.874 -5.409 -6.321 1.00 52.15 H new ATOM 0 HD2 TYR A 54 1.334 -5.111 -5.704 1.00 62.12 H new ATOM 0 HE1 TYR A 54 -2.564 -4.839 -8.691 1.00 62.42 H new ATOM 0 HE2 TYR A 54 1.642 -4.544 -8.071 1.00 24.33 H new ATOM 0 HH TYR A 54 0.692 -4.195 -10.025 1.00 4.25 H new ATOM 842 N ALA A 55 0.674 -3.307 -3.299 1.00 15.34 N ATOM 843 CA ALA A 55 1.630 -2.220 -3.517 1.00 34.25 C ATOM 844 C ALA A 55 2.915 -2.736 -4.181 1.00 53.52 C ATOM 845 O ALA A 55 3.395 -3.827 -3.869 1.00 64.34 O ATOM 846 CB ALA A 55 1.960 -1.535 -2.196 1.00 20.10 C ATOM 0 H ALA A 55 1.053 -4.095 -2.774 1.00 15.34 H new ATOM 0 HA ALA A 55 1.169 -1.496 -4.189 1.00 34.25 H new ATOM 0 HB1 ALA A 55 2.672 -0.729 -2.372 1.00 20.10 H new ATOM 0 HB2 ALA A 55 1.048 -1.126 -1.761 1.00 20.10 H new ATOM 0 HB3 ALA A 55 2.396 -2.260 -1.509 1.00 20.10 H new ATOM 852 N GLU A 56 3.458 -1.943 -5.097 1.00 15.44 N ATOM 853 CA GLU A 56 4.705 -2.272 -5.788 1.00 35.33 C ATOM 854 C GLU A 56 5.914 -1.638 -5.081 1.00 52.23 C ATOM 855 O GLU A 56 6.062 -0.415 -5.062 1.00 44.14 O ATOM 856 CB GLU A 56 4.636 -1.788 -7.245 1.00 73.44 C ATOM 857 CG GLU A 56 3.568 -2.491 -8.084 1.00 22.13 C ATOM 858 CD GLU A 56 3.524 -2.006 -9.528 1.00 15.41 C ATOM 859 OE1 GLU A 56 4.585 -1.641 -10.075 1.00 25.51 O ATOM 860 OE2 GLU A 56 2.428 -1.993 -10.130 1.00 40.34 O ATOM 0 H GLU A 56 3.049 -1.054 -5.384 1.00 15.44 H new ATOM 0 HA GLU A 56 4.831 -3.355 -5.770 1.00 35.33 H new ATOM 0 HB2 GLU A 56 4.441 -0.716 -7.252 1.00 73.44 H new ATOM 0 HB3 GLU A 56 5.609 -1.938 -7.713 1.00 73.44 H new ATOM 0 HG2 GLU A 56 3.755 -3.565 -8.074 1.00 22.13 H new ATOM 0 HG3 GLU A 56 2.592 -2.333 -7.625 1.00 22.13 H new ATOM 867 N ILE A 57 6.770 -2.477 -4.500 1.00 64.34 N ATOM 868 CA ILE A 57 7.973 -2.011 -3.797 1.00 12.20 C ATOM 869 C ILE A 57 9.241 -2.382 -4.586 1.00 33.45 C ATOM 870 O ILE A 57 9.288 -3.423 -5.248 1.00 51.21 O ATOM 871 CB ILE A 57 8.074 -2.613 -2.360 1.00 62.15 C ATOM 872 CG1 ILE A 57 6.845 -2.244 -1.502 1.00 73.50 C ATOM 873 CG2 ILE A 57 9.353 -2.154 -1.663 1.00 3.21 C ATOM 874 CD1 ILE A 57 5.621 -3.096 -1.770 1.00 23.02 C ATOM 0 H ILE A 57 6.655 -3.490 -4.500 1.00 64.34 H new ATOM 0 HA ILE A 57 7.893 -0.927 -3.716 1.00 12.20 H new ATOM 0 HB ILE A 57 8.101 -3.697 -2.468 1.00 62.15 H new ATOM 0 HG12 ILE A 57 7.112 -2.332 -0.449 1.00 73.50 H new ATOM 0 HG13 ILE A 57 6.592 -1.199 -1.680 1.00 73.50 H new ATOM 0 HG21 ILE A 57 9.399 -2.588 -0.664 1.00 3.21 H new ATOM 0 HG22 ILE A 57 10.219 -2.480 -2.240 1.00 3.21 H new ATOM 0 HG23 ILE A 57 9.356 -1.067 -1.587 1.00 3.21 H new ATOM 0 HD11 ILE A 57 4.804 -2.771 -1.126 1.00 23.02 H new ATOM 0 HD12 ILE A 57 5.325 -2.990 -2.814 1.00 23.02 H new ATOM 0 HD13 ILE A 57 5.853 -4.141 -1.563 1.00 23.02 H new ATOM 886 N ASN A 58 10.258 -1.519 -4.528 1.00 70.12 N ATOM 887 CA ASN A 58 11.545 -1.783 -5.185 1.00 33.11 C ATOM 888 C ASN A 58 12.266 -2.973 -4.528 1.00 12.04 C ATOM 889 O ASN A 58 12.090 -3.234 -3.341 1.00 34.02 O ATOM 890 CB ASN A 58 12.428 -0.530 -5.120 1.00 62.24 C ATOM 891 CG ASN A 58 13.776 -0.727 -5.795 1.00 4.34 C ATOM 892 OD1 ASN A 58 14.751 -1.126 -5.165 1.00 41.05 O ATOM 893 ND2 ASN A 58 13.845 -0.458 -7.081 1.00 62.30 N ATOM 0 H ASN A 58 10.217 -0.629 -4.032 1.00 70.12 H new ATOM 0 HA ASN A 58 11.354 -2.037 -6.228 1.00 33.11 H new ATOM 0 HB2 ASN A 58 11.907 0.302 -5.594 1.00 62.24 H new ATOM 0 HB3 ASN A 58 12.585 -0.255 -4.077 1.00 62.24 H new ATOM 0 HD21 ASN A 58 14.726 -0.580 -7.581 1.00 62.30 H new ATOM 0 HD22 ASN A 58 13.018 -0.128 -7.578 1.00 62.30 H new ATOM 900 N GLU A 59 13.088 -3.679 -5.301 1.00 2.32 N ATOM 901 CA GLU A 59 13.793 -4.871 -4.804 1.00 34.42 C ATOM 902 C GLU A 59 14.671 -4.565 -3.576 1.00 33.13 C ATOM 903 O GLU A 59 14.703 -5.333 -2.616 1.00 45.34 O ATOM 904 CB GLU A 59 14.646 -5.481 -5.923 1.00 5.51 C ATOM 905 CG GLU A 59 15.425 -6.718 -5.498 1.00 32.32 C ATOM 906 CD GLU A 59 16.049 -7.447 -6.675 1.00 44.53 C ATOM 907 OE1 GLU A 59 15.385 -8.336 -7.252 1.00 12.34 O ATOM 908 OE2 GLU A 59 17.201 -7.129 -7.040 1.00 13.04 O ATOM 0 H GLU A 59 13.286 -3.451 -6.275 1.00 2.32 H new ATOM 0 HA GLU A 59 13.035 -5.587 -4.487 1.00 34.42 H new ATOM 0 HB2 GLU A 59 13.998 -5.741 -6.760 1.00 5.51 H new ATOM 0 HB3 GLU A 59 15.347 -4.728 -6.284 1.00 5.51 H new ATOM 0 HG2 GLU A 59 16.209 -6.427 -4.799 1.00 32.32 H new ATOM 0 HG3 GLU A 59 14.759 -7.397 -4.966 1.00 32.32 H new ATOM 915 N GLU A 60 15.373 -3.438 -3.611 1.00 43.14 N ATOM 916 CA GLU A 60 16.247 -3.030 -2.502 1.00 74.23 C ATOM 917 C GLU A 60 15.451 -2.777 -1.210 1.00 13.20 C ATOM 918 O GLU A 60 15.815 -3.268 -0.137 1.00 42.32 O ATOM 919 CB GLU A 60 17.036 -1.778 -2.896 1.00 21.00 C ATOM 920 CG GLU A 60 17.930 -1.973 -4.116 1.00 20.05 C ATOM 921 CD GLU A 60 19.082 -2.937 -3.869 1.00 24.32 C ATOM 922 OE1 GLU A 60 18.853 -4.167 -3.855 1.00 31.33 O ATOM 923 OE2 GLU A 60 20.227 -2.469 -3.698 1.00 24.20 O ATOM 0 H GLU A 60 15.358 -2.785 -4.394 1.00 43.14 H new ATOM 0 HA GLU A 60 16.940 -3.848 -2.302 1.00 74.23 H new ATOM 0 HB2 GLU A 60 16.336 -0.967 -3.096 1.00 21.00 H new ATOM 0 HB3 GLU A 60 17.652 -1.467 -2.052 1.00 21.00 H new ATOM 0 HG2 GLU A 60 17.327 -2.343 -4.945 1.00 20.05 H new ATOM 0 HG3 GLU A 60 18.332 -1.007 -4.421 1.00 20.05 H new ATOM 930 N ASP A 61 14.366 -2.007 -1.311 1.00 50.12 N ATOM 931 CA ASP A 61 13.489 -1.760 -0.160 1.00 60.52 C ATOM 932 C ASP A 61 12.806 -3.062 0.289 1.00 0.24 C ATOM 933 O ASP A 61 12.618 -3.303 1.480 1.00 35.13 O ATOM 934 CB ASP A 61 12.437 -0.703 -0.505 1.00 53.25 C ATOM 935 CG ASP A 61 13.066 0.589 -0.987 1.00 74.23 C ATOM 936 OD1 ASP A 61 13.808 1.225 -0.206 1.00 42.43 O ATOM 937 OD2 ASP A 61 12.846 0.959 -2.156 1.00 35.14 O ATOM 0 H ASP A 61 14.073 -1.545 -2.172 1.00 50.12 H new ATOM 0 HA ASP A 61 14.101 -1.388 0.662 1.00 60.52 H new ATOM 0 HB2 ASP A 61 11.772 -1.092 -1.276 1.00 53.25 H new ATOM 0 HB3 ASP A 61 11.824 -0.502 0.373 1.00 53.25 H new ATOM 942 N TRP A 62 12.454 -3.898 -0.684 1.00 41.51 N ATOM 943 CA TRP A 62 11.902 -5.232 -0.430 1.00 34.31 C ATOM 944 C TRP A 62 12.816 -6.034 0.513 1.00 21.33 C ATOM 945 O TRP A 62 12.363 -6.611 1.506 1.00 63.23 O ATOM 946 CB TRP A 62 11.742 -5.962 -1.772 1.00 45.44 C ATOM 947 CG TRP A 62 11.198 -7.356 -1.670 1.00 43.14 C ATOM 948 CD1 TRP A 62 11.902 -8.500 -1.426 1.00 25.20 C ATOM 949 CD2 TRP A 62 9.835 -7.751 -1.833 1.00 50.34 C ATOM 950 NE1 TRP A 62 11.055 -9.579 -1.413 1.00 33.53 N ATOM 951 CE2 TRP A 62 9.781 -9.144 -1.660 1.00 62.24 C ATOM 952 CE3 TRP A 62 8.650 -7.057 -2.099 1.00 53.03 C ATOM 953 CZ2 TRP A 62 8.592 -9.858 -1.750 1.00 25.44 C ATOM 954 CZ3 TRP A 62 7.471 -7.769 -2.189 1.00 21.15 C ATOM 955 CH2 TRP A 62 7.449 -9.157 -2.012 1.00 63.32 C ATOM 0 H TRP A 62 12.543 -3.672 -1.675 1.00 41.51 H new ATOM 0 HA TRP A 62 10.931 -5.135 0.056 1.00 34.31 H new ATOM 0 HB2 TRP A 62 11.082 -5.376 -2.412 1.00 45.44 H new ATOM 0 HB3 TRP A 62 12.713 -6.001 -2.266 1.00 45.44 H new ATOM 0 HD1 TRP A 62 12.969 -8.548 -1.267 1.00 25.20 H new ATOM 0 HE1 TRP A 62 11.330 -10.547 -1.246 1.00 33.53 H new ATOM 0 HE3 TRP A 62 8.657 -5.985 -2.231 1.00 53.03 H new ATOM 0 HZ2 TRP A 62 8.572 -10.930 -1.617 1.00 25.44 H new ATOM 0 HZ3 TRP A 62 6.550 -7.246 -2.400 1.00 21.15 H new ATOM 0 HH2 TRP A 62 6.509 -9.685 -2.084 1.00 63.32 H new ATOM 966 N ASN A 63 14.107 -6.056 0.188 1.00 21.24 N ATOM 967 CA ASN A 63 15.109 -6.739 1.011 1.00 11.25 C ATOM 968 C ASN A 63 15.272 -6.047 2.377 1.00 34.44 C ATOM 969 O ASN A 63 15.390 -6.708 3.410 1.00 14.41 O ATOM 970 CB ASN A 63 16.455 -6.778 0.278 1.00 5.55 C ATOM 971 CG ASN A 63 16.348 -7.414 -1.099 1.00 62.14 C ATOM 972 OD1 ASN A 63 15.501 -8.269 -1.341 1.00 71.14 O ATOM 973 ND2 ASN A 63 17.200 -7.003 -2.016 1.00 24.20 N ATOM 0 H ASN A 63 14.488 -5.606 -0.645 1.00 21.24 H new ATOM 0 HA ASN A 63 14.765 -7.758 1.186 1.00 11.25 H new ATOM 0 HB2 ASN A 63 16.840 -5.763 0.177 1.00 5.55 H new ATOM 0 HB3 ASN A 63 17.176 -7.335 0.877 1.00 5.55 H new ATOM 0 HD21 ASN A 63 17.167 -7.397 -2.956 1.00 24.20 H new ATOM 0 HD22 ASN A 63 17.893 -6.291 -1.786 1.00 24.20 H new ATOM 980 N ALA A 64 15.261 -4.712 2.371 1.00 13.13 N ATOM 981 CA ALA A 64 15.385 -3.919 3.604 1.00 23.52 C ATOM 982 C ALA A 64 14.241 -4.205 4.588 1.00 62.43 C ATOM 983 O ALA A 64 14.445 -4.266 5.801 1.00 31.44 O ATOM 984 CB ALA A 64 15.419 -2.434 3.264 1.00 21.52 C ATOM 0 H ALA A 64 15.167 -4.152 1.524 1.00 13.13 H new ATOM 0 HA ALA A 64 16.317 -4.207 4.090 1.00 23.52 H new ATOM 0 HB1 ALA A 64 15.511 -1.853 4.181 1.00 21.52 H new ATOM 0 HB2 ALA A 64 16.272 -2.228 2.617 1.00 21.52 H new ATOM 0 HB3 ALA A 64 14.499 -2.157 2.750 1.00 21.52 H new ATOM 990 N LEU A 65 13.036 -4.364 4.052 1.00 72.32 N ATOM 991 CA LEU A 65 11.857 -4.684 4.862 1.00 32.23 C ATOM 992 C LEU A 65 11.794 -6.184 5.196 1.00 13.15 C ATOM 993 O LEU A 65 10.986 -6.614 6.025 1.00 3.43 O ATOM 994 CB LEU A 65 10.583 -4.261 4.115 1.00 72.54 C ATOM 995 CG LEU A 65 10.497 -2.765 3.764 1.00 52.10 C ATOM 996 CD1 LEU A 65 9.317 -2.491 2.835 1.00 54.03 C ATOM 997 CD2 LEU A 65 10.391 -1.922 5.033 1.00 62.43 C ATOM 0 H LEU A 65 12.845 -4.277 3.054 1.00 72.32 H new ATOM 0 HA LEU A 65 11.932 -4.134 5.800 1.00 32.23 H new ATOM 0 HB2 LEU A 65 10.512 -4.839 3.194 1.00 72.54 H new ATOM 0 HB3 LEU A 65 9.719 -4.525 4.724 1.00 72.54 H new ATOM 0 HG LEU A 65 11.411 -2.485 3.240 1.00 52.10 H new ATOM 0 HD11 LEU A 65 9.277 -1.427 2.601 1.00 54.03 H new ATOM 0 HD12 LEU A 65 9.439 -3.061 1.914 1.00 54.03 H new ATOM 0 HD13 LEU A 65 8.391 -2.789 3.326 1.00 54.03 H new ATOM 0 HD21 LEU A 65 10.331 -0.867 4.765 1.00 62.43 H new ATOM 0 HD22 LEU A 65 9.496 -2.207 5.586 1.00 62.43 H new ATOM 0 HD23 LEU A 65 11.270 -2.089 5.655 1.00 62.43 H new ATOM 1009 N GLY A 66 12.654 -6.972 4.545 1.00 74.23 N ATOM 1010 CA GLY A 66 12.654 -8.419 4.736 1.00 71.35 C ATOM 1011 C GLY A 66 11.364 -9.074 4.258 1.00 51.21 C ATOM 1012 O GLY A 66 10.845 -9.985 4.898 1.00 70.12 O ATOM 0 H GLY A 66 13.354 -6.632 3.886 1.00 74.23 H new ATOM 0 HA2 GLY A 66 13.498 -8.852 4.199 1.00 71.35 H new ATOM 0 HA3 GLY A 66 12.800 -8.642 5.793 1.00 71.35 H new ATOM 1016 N LEU A 67 10.848 -8.605 3.122 1.00 33.34 N ATOM 1017 CA LEU A 67 9.558 -9.077 2.596 1.00 51.12 C ATOM 1018 C LEU A 67 9.668 -10.445 1.904 1.00 30.12 C ATOM 1019 O LEU A 67 10.751 -10.887 1.507 1.00 62.02 O ATOM 1020 CB LEU A 67 8.983 -8.047 1.612 1.00 3.02 C ATOM 1021 CG LEU A 67 8.625 -6.684 2.220 1.00 63.13 C ATOM 1022 CD1 LEU A 67 8.175 -5.705 1.137 1.00 52.32 C ATOM 1023 CD2 LEU A 67 7.548 -6.843 3.288 1.00 42.23 C ATOM 0 H LEU A 67 11.301 -7.897 2.544 1.00 33.34 H new ATOM 0 HA LEU A 67 8.890 -9.195 3.449 1.00 51.12 H new ATOM 0 HB2 LEU A 67 9.707 -7.890 0.812 1.00 3.02 H new ATOM 0 HB3 LEU A 67 8.088 -8.468 1.154 1.00 3.02 H new ATOM 0 HG LEU A 67 9.519 -6.275 2.691 1.00 63.13 H new ATOM 0 HD11 LEU A 67 7.927 -4.747 1.593 1.00 52.32 H new ATOM 0 HD12 LEU A 67 8.980 -5.566 0.415 1.00 52.32 H new ATOM 0 HD13 LEU A 67 7.297 -6.103 0.629 1.00 52.32 H new ATOM 0 HD21 LEU A 67 7.306 -5.867 3.709 1.00 42.23 H new ATOM 0 HD22 LEU A 67 6.654 -7.277 2.841 1.00 42.23 H new ATOM 0 HD23 LEU A 67 7.913 -7.498 4.079 1.00 42.23 H new ATOM 1035 N GLN A 68 8.524 -11.102 1.760 1.00 70.51 N ATOM 1036 CA GLN A 68 8.428 -12.394 1.086 1.00 73.22 C ATOM 1037 C GLN A 68 7.175 -12.421 0.202 1.00 54.24 C ATOM 1038 O GLN A 68 6.082 -12.091 0.655 1.00 75.12 O ATOM 1039 CB GLN A 68 8.377 -13.531 2.114 1.00 33.22 C ATOM 1040 CG GLN A 68 8.260 -14.927 1.505 1.00 44.11 C ATOM 1041 CD GLN A 68 8.210 -16.017 2.562 1.00 53.22 C ATOM 1042 OE1 GLN A 68 7.745 -15.799 3.676 1.00 4.20 O ATOM 1043 NE2 GLN A 68 8.686 -17.200 2.232 1.00 63.51 N ATOM 0 H GLN A 68 7.631 -10.753 2.109 1.00 70.51 H new ATOM 0 HA GLN A 68 9.310 -12.535 0.461 1.00 73.22 H new ATOM 0 HB2 GLN A 68 9.277 -13.490 2.728 1.00 33.22 H new ATOM 0 HB3 GLN A 68 7.529 -13.366 2.779 1.00 33.22 H new ATOM 0 HG2 GLN A 68 7.361 -14.978 0.891 1.00 44.11 H new ATOM 0 HG3 GLN A 68 9.108 -15.104 0.844 1.00 44.11 H new ATOM 0 HE21 GLN A 68 9.067 -17.354 1.298 1.00 63.51 H new ATOM 0 HE22 GLN A 68 8.674 -17.962 2.910 1.00 63.51 H new ATOM 1052 N GLU A 69 7.338 -12.825 -1.052 1.00 42.42 N ATOM 1053 CA GLU A 69 6.246 -12.777 -2.034 1.00 61.33 C ATOM 1054 C GLU A 69 5.006 -13.534 -1.554 1.00 13.32 C ATOM 1055 O GLU A 69 4.891 -14.754 -1.712 1.00 11.13 O ATOM 1056 CB GLU A 69 6.740 -13.319 -3.373 1.00 12.22 C ATOM 1057 CG GLU A 69 7.815 -12.435 -3.987 1.00 15.32 C ATOM 1058 CD GLU A 69 8.655 -13.150 -5.031 1.00 21.12 C ATOM 1059 OE1 GLU A 69 9.445 -14.041 -4.644 1.00 74.54 O ATOM 1060 OE2 GLU A 69 8.546 -12.819 -6.231 1.00 52.03 O ATOM 0 H GLU A 69 8.216 -13.191 -1.420 1.00 42.42 H new ATOM 0 HA GLU A 69 5.944 -11.737 -2.158 1.00 61.33 H new ATOM 0 HB2 GLU A 69 7.135 -14.325 -3.233 1.00 12.22 H new ATOM 0 HB3 GLU A 69 5.900 -13.400 -4.063 1.00 12.22 H new ATOM 0 HG2 GLU A 69 7.343 -11.565 -4.444 1.00 15.32 H new ATOM 0 HG3 GLU A 69 8.468 -12.066 -3.196 1.00 15.32 H new ATOM 1067 N GLY A 70 4.088 -12.788 -0.951 1.00 34.25 N ATOM 1068 CA GLY A 70 2.885 -13.376 -0.373 1.00 70.11 C ATOM 1069 C GLY A 70 2.407 -12.664 0.897 1.00 21.12 C ATOM 1070 O GLY A 70 1.240 -12.802 1.285 1.00 24.44 O ATOM 0 H GLY A 70 4.153 -11.775 -0.849 1.00 34.25 H new ATOM 0 HA2 GLY A 70 2.087 -13.354 -1.115 1.00 70.11 H new ATOM 0 HA3 GLY A 70 3.077 -14.424 -0.142 1.00 70.11 H new ATOM 1074 N ASP A 71 3.290 -11.899 1.551 1.00 11.22 N ATOM 1075 CA ASP A 71 2.920 -11.188 2.790 1.00 72.24 C ATOM 1076 C ASP A 71 2.353 -9.779 2.508 1.00 74.13 C ATOM 1077 O ASP A 71 2.062 -9.424 1.362 1.00 61.11 O ATOM 1078 CB ASP A 71 4.112 -11.120 3.773 1.00 41.32 C ATOM 1079 CG ASP A 71 5.389 -10.537 3.180 1.00 54.55 C ATOM 1080 OD1 ASP A 71 5.310 -9.696 2.264 1.00 65.00 O ATOM 1081 OD2 ASP A 71 6.484 -10.922 3.649 1.00 43.30 O ATOM 0 H ASP A 71 4.254 -11.755 1.251 1.00 11.22 H new ATOM 0 HA ASP A 71 2.124 -11.765 3.260 1.00 72.24 H new ATOM 0 HB2 ASP A 71 3.821 -10.521 4.636 1.00 41.32 H new ATOM 0 HB3 ASP A 71 4.322 -12.125 4.139 1.00 41.32 H new ATOM 1086 N ARG A 72 2.185 -8.983 3.568 1.00 73.52 N ATOM 1087 CA ARG A 72 1.554 -7.661 3.453 1.00 13.33 C ATOM 1088 C ARG A 72 2.321 -6.587 4.241 1.00 4.42 C ATOM 1089 O ARG A 72 3.115 -6.895 5.133 1.00 34.24 O ATOM 1090 CB ARG A 72 0.089 -7.709 3.925 1.00 3.05 C ATOM 1091 CG ARG A 72 -0.112 -8.059 5.401 1.00 4.41 C ATOM 1092 CD ARG A 72 0.141 -9.537 5.691 1.00 2.22 C ATOM 1093 NE ARG A 72 -0.081 -9.861 7.097 1.00 61.23 N ATOM 1094 CZ ARG A 72 0.218 -11.005 7.650 1.00 32.53 C ATOM 1095 NH1 ARG A 72 0.750 -11.960 6.951 1.00 2.02 N ATOM 1096 NH2 ARG A 72 -0.023 -11.190 8.908 1.00 42.55 N ATOM 0 H ARG A 72 2.476 -9.229 4.514 1.00 73.52 H new ATOM 0 HA ARG A 72 1.581 -7.388 2.398 1.00 13.33 H new ATOM 0 HB2 ARG A 72 -0.369 -6.739 3.733 1.00 3.05 H new ATOM 0 HB3 ARG A 72 -0.447 -8.440 3.319 1.00 3.05 H new ATOM 0 HG2 ARG A 72 0.559 -7.453 6.010 1.00 4.41 H new ATOM 0 HG3 ARG A 72 -1.129 -7.803 5.697 1.00 4.41 H new ATOM 0 HD2 ARG A 72 -0.515 -10.146 5.070 1.00 2.22 H new ATOM 0 HD3 ARG A 72 1.165 -9.791 5.417 1.00 2.22 H new ATOM 0 HE ARG A 72 -0.499 -9.143 7.689 1.00 61.23 H new ATOM 0 HH11 ARG A 72 0.939 -11.821 5.958 1.00 2.02 H new ATOM 0 HH12 ARG A 72 0.979 -12.850 7.394 1.00 2.02 H new ATOM 0 HH21 ARG A 72 -0.444 -10.444 9.462 1.00 42.55 H new ATOM 0 HH22 ARG A 72 0.208 -12.082 9.346 1.00 42.55 H new ATOM 1110 N VAL A 73 2.063 -5.320 3.913 1.00 72.11 N ATOM 1111 CA VAL A 73 2.772 -4.194 4.529 1.00 3.24 C ATOM 1112 C VAL A 73 1.814 -3.087 5.001 1.00 43.20 C ATOM 1113 O VAL A 73 0.703 -2.940 4.489 1.00 71.54 O ATOM 1114 CB VAL A 73 3.798 -3.568 3.546 1.00 71.15 C ATOM 1115 CG1 VAL A 73 4.933 -4.545 3.245 1.00 25.51 C ATOM 1116 CG2 VAL A 73 3.109 -3.118 2.254 1.00 5.14 C ATOM 0 H VAL A 73 1.365 -5.046 3.221 1.00 72.11 H new ATOM 0 HA VAL A 73 3.289 -4.606 5.395 1.00 3.24 H new ATOM 0 HB VAL A 73 4.229 -2.689 4.024 1.00 71.15 H new ATOM 0 HG11 VAL A 73 5.638 -4.082 2.554 1.00 25.51 H new ATOM 0 HG12 VAL A 73 5.448 -4.801 4.171 1.00 25.51 H new ATOM 0 HG13 VAL A 73 4.525 -5.450 2.795 1.00 25.51 H new ATOM 0 HG21 VAL A 73 3.847 -2.683 1.581 1.00 5.14 H new ATOM 0 HG22 VAL A 73 2.641 -3.977 1.773 1.00 5.14 H new ATOM 0 HG23 VAL A 73 2.348 -2.374 2.488 1.00 5.14 H new ATOM 1126 N LYS A 74 2.267 -2.320 5.989 1.00 11.21 N ATOM 1127 CA LYS A 74 1.548 -1.141 6.478 1.00 41.25 C ATOM 1128 C LYS A 74 2.118 0.138 5.844 1.00 22.10 C ATOM 1129 O LYS A 74 3.329 0.365 5.868 1.00 63.40 O ATOM 1130 CB LYS A 74 1.666 -1.054 8.009 1.00 25.41 C ATOM 1131 CG LYS A 74 1.016 0.188 8.623 1.00 71.51 C ATOM 1132 CD LYS A 74 -0.493 0.039 8.811 1.00 32.50 C ATOM 1133 CE LYS A 74 -0.835 -0.948 9.927 1.00 73.03 C ATOM 1134 NZ LYS A 74 -2.259 -0.838 10.358 1.00 15.21 N ATOM 0 H LYS A 74 3.145 -2.497 6.476 1.00 11.21 H new ATOM 0 HA LYS A 74 0.498 -1.235 6.199 1.00 41.25 H new ATOM 0 HB2 LYS A 74 1.211 -1.942 8.447 1.00 25.41 H new ATOM 0 HB3 LYS A 74 2.721 -1.069 8.281 1.00 25.41 H new ATOM 0 HG2 LYS A 74 1.479 0.394 9.588 1.00 71.51 H new ATOM 0 HG3 LYS A 74 1.214 1.049 7.984 1.00 71.51 H new ATOM 0 HD2 LYS A 74 -0.928 1.012 9.041 1.00 32.50 H new ATOM 0 HD3 LYS A 74 -0.943 -0.299 7.878 1.00 32.50 H new ATOM 0 HE2 LYS A 74 -0.638 -1.964 9.585 1.00 73.03 H new ATOM 0 HE3 LYS A 74 -0.183 -0.768 10.782 1.00 73.03 H new ATOM 0 HZ1 LYS A 74 -2.451 -1.537 11.104 1.00 15.21 H new ATOM 0 HZ2 LYS A 74 -2.438 0.118 10.725 1.00 15.21 H new ATOM 0 HZ3 LYS A 74 -2.883 -1.019 9.546 1.00 15.21 H new ATOM 1148 N VAL A 75 1.243 0.975 5.296 1.00 41.42 N ATOM 1149 CA VAL A 75 1.656 2.229 4.649 1.00 54.15 C ATOM 1150 C VAL A 75 1.087 3.436 5.407 1.00 55.12 C ATOM 1151 O VAL A 75 -0.122 3.543 5.584 1.00 2.21 O ATOM 1152 CB VAL A 75 1.184 2.286 3.172 1.00 34.23 C ATOM 1153 CG1 VAL A 75 1.698 3.549 2.482 1.00 51.33 C ATOM 1154 CG2 VAL A 75 1.625 1.037 2.409 1.00 43.43 C ATOM 0 H VAL A 75 0.236 0.812 5.284 1.00 41.42 H new ATOM 0 HA VAL A 75 2.745 2.263 4.669 1.00 54.15 H new ATOM 0 HB VAL A 75 0.094 2.318 3.171 1.00 34.23 H new ATOM 0 HG11 VAL A 75 1.353 3.565 1.448 1.00 51.33 H new ATOM 0 HG12 VAL A 75 1.320 4.428 3.004 1.00 51.33 H new ATOM 0 HG13 VAL A 75 2.788 3.556 2.501 1.00 51.33 H new ATOM 0 HG21 VAL A 75 1.282 1.101 1.376 1.00 43.43 H new ATOM 0 HG22 VAL A 75 2.712 0.965 2.426 1.00 43.43 H new ATOM 0 HG23 VAL A 75 1.196 0.153 2.880 1.00 43.43 H new ATOM 1164 N LYS A 76 1.962 4.339 5.850 1.00 34.32 N ATOM 1165 CA LYS A 76 1.548 5.500 6.657 1.00 4.10 C ATOM 1166 C LYS A 76 2.002 6.831 6.030 1.00 64.24 C ATOM 1167 O LYS A 76 3.191 7.039 5.774 1.00 44.33 O ATOM 1168 CB LYS A 76 2.120 5.376 8.078 1.00 31.23 C ATOM 1169 CG LYS A 76 1.420 4.328 8.946 1.00 33.10 C ATOM 1170 CD LYS A 76 2.416 3.487 9.745 1.00 43.11 C ATOM 1171 CE LYS A 76 1.740 2.722 10.879 1.00 3.52 C ATOM 1172 NZ LYS A 76 1.169 3.632 11.909 1.00 1.14 N ATOM 0 H LYS A 76 2.964 4.294 5.666 1.00 34.32 H new ATOM 0 HA LYS A 76 0.459 5.505 6.692 1.00 4.10 H new ATOM 0 HB2 LYS A 76 3.179 5.127 8.011 1.00 31.23 H new ATOM 0 HB3 LYS A 76 2.051 6.345 8.571 1.00 31.23 H new ATOM 0 HG2 LYS A 76 0.734 4.825 9.631 1.00 33.10 H new ATOM 0 HG3 LYS A 76 0.820 3.675 8.312 1.00 33.10 H new ATOM 0 HD2 LYS A 76 2.912 2.782 9.078 1.00 43.11 H new ATOM 0 HD3 LYS A 76 3.190 4.135 10.156 1.00 43.11 H new ATOM 0 HE2 LYS A 76 0.947 2.096 10.470 1.00 3.52 H new ATOM 0 HE3 LYS A 76 2.464 2.055 11.347 1.00 3.52 H new ATOM 0 HZ1 LYS A 76 1.354 3.244 12.856 1.00 1.14 H new ATOM 0 HZ2 LYS A 76 1.610 4.570 11.827 1.00 1.14 H new ATOM 0 HZ3 LYS A 76 0.143 3.719 11.765 1.00 1.14 H new ATOM 1186 N THR A 77 1.046 7.735 5.802 1.00 1.42 N ATOM 1187 CA THR A 77 1.333 9.059 5.215 1.00 43.13 C ATOM 1188 C THR A 77 0.656 10.183 6.011 1.00 41.22 C ATOM 1189 O THR A 77 0.103 9.955 7.089 1.00 74.24 O ATOM 1190 CB THR A 77 0.845 9.167 3.749 1.00 33.01 C ATOM 1191 OG1 THR A 77 -0.588 9.234 3.719 1.00 72.11 O ATOM 1192 CG2 THR A 77 1.322 7.985 2.912 1.00 22.33 C ATOM 0 H THR A 77 0.061 7.579 6.014 1.00 1.42 H new ATOM 0 HA THR A 77 2.417 9.167 5.250 1.00 43.13 H new ATOM 0 HB THR A 77 1.267 10.076 3.320 1.00 33.01 H new ATOM 0 HG1 THR A 77 -0.894 9.287 2.789 1.00 72.11 H new ATOM 0 HG21 THR A 77 0.961 8.094 1.889 1.00 22.33 H new ATOM 0 HG22 THR A 77 2.412 7.956 2.911 1.00 22.33 H new ATOM 0 HG23 THR A 77 0.935 7.059 3.337 1.00 22.33 H new ATOM 1200 N GLU A 78 0.701 11.403 5.470 1.00 32.54 N ATOM 1201 CA GLU A 78 0.063 12.573 6.097 1.00 42.35 C ATOM 1202 C GLU A 78 -1.478 12.530 6.007 1.00 33.21 C ATOM 1203 O GLU A 78 -2.159 13.428 6.507 1.00 40.52 O ATOM 1204 CB GLU A 78 0.571 13.862 5.434 1.00 21.21 C ATOM 1205 CG GLU A 78 0.337 13.904 3.927 1.00 45.50 C ATOM 1206 CD GLU A 78 0.493 15.297 3.339 1.00 70.12 C ATOM 1207 OE1 GLU A 78 1.622 15.678 2.965 1.00 75.43 O ATOM 1208 OE2 GLU A 78 -0.520 16.022 3.253 1.00 61.11 O ATOM 0 H GLU A 78 1.176 11.611 4.592 1.00 32.54 H new ATOM 0 HA GLU A 78 0.333 12.553 7.153 1.00 42.35 H new ATOM 0 HB2 GLU A 78 0.076 14.717 5.894 1.00 21.21 H new ATOM 0 HB3 GLU A 78 1.638 13.967 5.631 1.00 21.21 H new ATOM 0 HG2 GLU A 78 1.038 13.229 3.437 1.00 45.50 H new ATOM 0 HG3 GLU A 78 -0.665 13.535 3.710 1.00 45.50 H new ATOM 1215 N PHE A 79 -2.024 11.509 5.347 1.00 71.43 N ATOM 1216 CA PHE A 79 -3.484 11.369 5.206 1.00 55.14 C ATOM 1217 C PHE A 79 -4.040 10.242 6.094 1.00 44.34 C ATOM 1218 O PHE A 79 -5.101 10.382 6.705 1.00 11.33 O ATOM 1219 CB PHE A 79 -3.853 11.123 3.736 1.00 23.53 C ATOM 1220 CG PHE A 79 -3.518 12.287 2.833 1.00 41.40 C ATOM 1221 CD1 PHE A 79 -4.388 13.365 2.722 1.00 41.52 C ATOM 1222 CD2 PHE A 79 -2.335 12.312 2.108 1.00 3.24 C ATOM 1223 CE1 PHE A 79 -4.085 14.437 1.905 1.00 43.15 C ATOM 1224 CE2 PHE A 79 -2.029 13.384 1.291 1.00 61.33 C ATOM 1225 CZ PHE A 79 -2.903 14.447 1.191 1.00 15.23 C ATOM 0 H PHE A 79 -1.485 10.767 4.901 1.00 71.43 H new ATOM 0 HA PHE A 79 -3.939 12.302 5.539 1.00 55.14 H new ATOM 0 HB2 PHE A 79 -3.330 10.235 3.381 1.00 23.53 H new ATOM 0 HB3 PHE A 79 -4.920 10.914 3.667 1.00 23.53 H new ATOM 0 HD1 PHE A 79 -5.312 13.365 3.281 1.00 41.52 H new ATOM 0 HD2 PHE A 79 -1.645 11.484 2.183 1.00 3.24 H new ATOM 0 HE1 PHE A 79 -4.772 15.267 1.825 1.00 43.15 H new ATOM 0 HE2 PHE A 79 -1.106 13.390 0.731 1.00 61.33 H new ATOM 0 HZ PHE A 79 -2.663 15.286 0.555 1.00 15.23 H new ATOM 1235 N GLY A 80 -3.317 9.129 6.166 1.00 40.24 N ATOM 1236 CA GLY A 80 -3.751 8.003 6.987 1.00 15.52 C ATOM 1237 C GLY A 80 -2.866 6.775 6.813 1.00 63.04 C ATOM 1238 O GLY A 80 -1.667 6.901 6.556 1.00 22.42 O ATOM 0 H GLY A 80 -2.437 8.982 5.672 1.00 40.24 H new ATOM 0 HA2 GLY A 80 -3.750 8.301 8.035 1.00 15.52 H new ATOM 0 HA3 GLY A 80 -4.778 7.745 6.730 1.00 15.52 H new ATOM 1242 N GLU A 81 -3.448 5.584 6.957 1.00 63.41 N ATOM 1243 CA GLU A 81 -2.697 4.338 6.772 1.00 43.13 C ATOM 1244 C GLU A 81 -3.580 3.199 6.245 1.00 54.12 C ATOM 1245 O GLU A 81 -4.779 3.139 6.517 1.00 3.14 O ATOM 1246 CB GLU A 81 -2.011 3.910 8.078 1.00 32.11 C ATOM 1247 CG GLU A 81 -2.958 3.657 9.246 1.00 1.53 C ATOM 1248 CD GLU A 81 -2.233 3.127 10.475 1.00 4.03 C ATOM 1249 OE1 GLU A 81 -1.507 3.912 11.127 1.00 64.44 O ATOM 1250 OE2 GLU A 81 -2.362 1.919 10.776 1.00 22.32 O ATOM 0 H GLU A 81 -4.430 5.454 7.199 1.00 63.41 H new ATOM 0 HA GLU A 81 -1.935 4.542 6.020 1.00 43.13 H new ATOM 0 HB2 GLU A 81 -1.438 3.002 7.890 1.00 32.11 H new ATOM 0 HB3 GLU A 81 -1.298 4.682 8.367 1.00 32.11 H new ATOM 0 HG2 GLU A 81 -3.471 4.584 9.502 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -3.723 2.942 8.942 1.00 1.53 H new ATOM 1257 N VAL A 82 -2.965 2.291 5.489 1.00 74.13 N ATOM 1258 CA VAL A 82 -3.668 1.138 4.917 1.00 25.44 C ATOM 1259 C VAL A 82 -2.754 -0.100 4.903 1.00 54.11 C ATOM 1260 O VAL A 82 -1.529 0.024 4.923 1.00 44.44 O ATOM 1261 CB VAL A 82 -4.157 1.443 3.473 1.00 73.22 C ATOM 1262 CG1 VAL A 82 -2.982 1.537 2.496 1.00 45.52 C ATOM 1263 CG2 VAL A 82 -5.189 0.413 3.002 1.00 51.15 C ATOM 0 H VAL A 82 -1.973 2.330 5.255 1.00 74.13 H new ATOM 0 HA VAL A 82 -4.536 0.934 5.544 1.00 25.44 H new ATOM 0 HB VAL A 82 -4.649 2.415 3.493 1.00 73.22 H new ATOM 0 HG11 VAL A 82 -3.357 1.751 1.495 1.00 45.52 H new ATOM 0 HG12 VAL A 82 -2.310 2.336 2.810 1.00 45.52 H new ATOM 0 HG13 VAL A 82 -2.441 0.591 2.486 1.00 45.52 H new ATOM 0 HG21 VAL A 82 -5.510 0.656 1.989 1.00 51.15 H new ATOM 0 HG22 VAL A 82 -4.742 -0.581 3.012 1.00 51.15 H new ATOM 0 HG23 VAL A 82 -6.051 0.430 3.669 1.00 51.15 H new ATOM 1273 N VAL A 83 -3.352 -1.294 4.891 1.00 33.51 N ATOM 1274 CA VAL A 83 -2.583 -2.544 4.831 1.00 14.34 C ATOM 1275 C VAL A 83 -2.897 -3.314 3.539 1.00 33.54 C ATOM 1276 O VAL A 83 -4.032 -3.757 3.330 1.00 44.05 O ATOM 1277 CB VAL A 83 -2.875 -3.452 6.050 1.00 64.51 C ATOM 1278 CG1 VAL A 83 -1.961 -4.680 6.041 1.00 12.21 C ATOM 1279 CG2 VAL A 83 -2.725 -2.675 7.357 1.00 52.23 C ATOM 0 H VAL A 83 -4.363 -1.424 4.922 1.00 33.51 H new ATOM 0 HA VAL A 83 -1.528 -2.271 4.845 1.00 14.34 H new ATOM 0 HB VAL A 83 -3.907 -3.794 5.978 1.00 64.51 H new ATOM 0 HG11 VAL A 83 -2.183 -5.305 6.906 1.00 12.21 H new ATOM 0 HG12 VAL A 83 -2.128 -5.252 5.128 1.00 12.21 H new ATOM 0 HG13 VAL A 83 -0.920 -4.359 6.082 1.00 12.21 H new ATOM 0 HG21 VAL A 83 -2.935 -3.335 8.199 1.00 52.23 H new ATOM 0 HG22 VAL A 83 -1.707 -2.295 7.439 1.00 52.23 H new ATOM 0 HG23 VAL A 83 -3.426 -1.840 7.366 1.00 52.23 H new ATOM 1289 N VAL A 84 -1.886 -3.465 2.681 1.00 52.31 N ATOM 1290 CA VAL A 84 -2.053 -4.099 1.362 1.00 1.42 C ATOM 1291 C VAL A 84 -1.007 -5.205 1.126 1.00 41.23 C ATOM 1292 O VAL A 84 -0.036 -5.324 1.876 1.00 74.54 O ATOM 1293 CB VAL A 84 -1.935 -3.051 0.225 1.00 44.22 C ATOM 1294 CG1 VAL A 84 -3.038 -1.998 0.331 1.00 15.02 C ATOM 1295 CG2 VAL A 84 -0.556 -2.392 0.241 1.00 40.10 C ATOM 0 H VAL A 84 -0.933 -3.155 2.874 1.00 52.31 H new ATOM 0 HA VAL A 84 -3.048 -4.544 1.352 1.00 1.42 H new ATOM 0 HB VAL A 84 -2.057 -3.570 -0.725 1.00 44.22 H new ATOM 0 HG11 VAL A 84 -2.931 -1.276 -0.479 1.00 15.02 H new ATOM 0 HG12 VAL A 84 -4.012 -2.482 0.259 1.00 15.02 H new ATOM 0 HG13 VAL A 84 -2.959 -1.483 1.289 1.00 15.02 H new ATOM 0 HG21 VAL A 84 -0.493 -1.660 -0.564 1.00 40.10 H new ATOM 0 HG22 VAL A 84 -0.402 -1.893 1.198 1.00 40.10 H new ATOM 0 HG23 VAL A 84 0.212 -3.152 0.101 1.00 40.10 H new ATOM 1305 N PHE A 85 -1.202 -6.002 0.074 1.00 52.31 N ATOM 1306 CA PHE A 85 -0.259 -7.077 -0.271 1.00 63.14 C ATOM 1307 C PHE A 85 1.045 -6.511 -0.861 1.00 24.02 C ATOM 1308 O PHE A 85 1.018 -5.668 -1.755 1.00 74.31 O ATOM 1309 CB PHE A 85 -0.896 -8.055 -1.269 1.00 20.13 C ATOM 1310 CG PHE A 85 -2.099 -8.784 -0.718 1.00 35.21 C ATOM 1311 CD1 PHE A 85 -1.937 -9.855 0.150 1.00 73.31 C ATOM 1312 CD2 PHE A 85 -3.388 -8.401 -1.067 1.00 0.43 C ATOM 1313 CE1 PHE A 85 -3.032 -10.525 0.659 1.00 4.23 C ATOM 1314 CE2 PHE A 85 -4.485 -9.070 -0.560 1.00 31.23 C ATOM 1315 CZ PHE A 85 -4.306 -10.133 0.305 1.00 12.21 C ATOM 0 H PHE A 85 -2.001 -5.927 -0.555 1.00 52.31 H new ATOM 0 HA PHE A 85 -0.019 -7.609 0.649 1.00 63.14 H new ATOM 0 HB2 PHE A 85 -1.192 -7.507 -2.163 1.00 20.13 H new ATOM 0 HB3 PHE A 85 -0.148 -8.786 -1.576 1.00 20.13 H new ATOM 0 HD1 PHE A 85 -0.942 -10.168 0.431 1.00 73.31 H new ATOM 0 HD2 PHE A 85 -3.534 -7.571 -1.742 1.00 0.43 H new ATOM 0 HE1 PHE A 85 -2.891 -11.356 1.334 1.00 4.23 H new ATOM 0 HE2 PHE A 85 -5.482 -8.763 -0.839 1.00 31.23 H new ATOM 0 HZ PHE A 85 -5.163 -10.656 0.703 1.00 12.21 H new ATOM 1325 N ALA A 86 2.182 -6.986 -0.361 1.00 70.03 N ATOM 1326 CA ALA A 86 3.490 -6.510 -0.827 1.00 33.20 C ATOM 1327 C ALA A 86 3.975 -7.281 -2.067 1.00 1.35 C ATOM 1328 O ALA A 86 4.112 -8.504 -2.029 1.00 42.53 O ATOM 1329 CB ALA A 86 4.509 -6.630 0.295 1.00 5.11 C ATOM 0 H ALA A 86 2.229 -7.700 0.366 1.00 70.03 H new ATOM 0 HA ALA A 86 3.381 -5.465 -1.115 1.00 33.20 H new ATOM 0 HB1 ALA A 86 5.479 -6.276 -0.055 1.00 5.11 H new ATOM 0 HB2 ALA A 86 4.187 -6.028 1.145 1.00 5.11 H new ATOM 0 HB3 ALA A 86 4.592 -7.673 0.601 1.00 5.11 H new ATOM 1335 N LYS A 87 4.233 -6.565 -3.163 1.00 65.11 N ATOM 1336 CA LYS A 87 4.757 -7.184 -4.392 1.00 25.20 C ATOM 1337 C LYS A 87 5.923 -6.377 -4.968 1.00 23.41 C ATOM 1338 O LYS A 87 5.995 -5.160 -4.810 1.00 14.11 O ATOM 1339 CB LYS A 87 3.650 -7.327 -5.447 1.00 71.40 C ATOM 1340 CG LYS A 87 2.415 -8.074 -4.964 1.00 3.33 C ATOM 1341 CD LYS A 87 1.449 -8.350 -6.112 1.00 2.55 C ATOM 1342 CE LYS A 87 0.098 -8.826 -5.608 1.00 11.45 C ATOM 1343 NZ LYS A 87 -0.803 -9.241 -6.720 1.00 71.13 N ATOM 0 H LYS A 87 4.089 -5.557 -3.229 1.00 65.11 H new ATOM 0 HA LYS A 87 5.122 -8.176 -4.127 1.00 25.20 H new ATOM 0 HB2 LYS A 87 3.352 -6.333 -5.780 1.00 71.40 H new ATOM 0 HB3 LYS A 87 4.057 -7.845 -6.315 1.00 71.40 H new ATOM 0 HG2 LYS A 87 2.714 -9.016 -4.503 1.00 3.33 H new ATOM 0 HG3 LYS A 87 1.911 -7.489 -4.195 1.00 3.33 H new ATOM 0 HD2 LYS A 87 1.318 -7.444 -6.703 1.00 2.55 H new ATOM 0 HD3 LYS A 87 1.876 -9.103 -6.774 1.00 2.55 H new ATOM 0 HE2 LYS A 87 0.241 -9.664 -4.926 1.00 11.45 H new ATOM 0 HE3 LYS A 87 -0.376 -8.028 -5.037 1.00 11.45 H new ATOM 0 HZ1 LYS A 87 -1.713 -9.558 -6.329 1.00 71.13 H new ATOM 0 HZ2 LYS A 87 -0.962 -8.435 -7.357 1.00 71.13 H new ATOM 0 HZ3 LYS A 87 -0.364 -10.020 -7.250 1.00 71.13 H new ATOM 1357 N LYS A 88 6.833 -7.070 -5.638 1.00 21.23 N ATOM 1358 CA LYS A 88 8.022 -6.447 -6.211 1.00 34.13 C ATOM 1359 C LYS A 88 7.707 -5.873 -7.606 1.00 35.52 C ATOM 1360 O LYS A 88 7.613 -6.616 -8.587 1.00 44.55 O ATOM 1361 CB LYS A 88 9.142 -7.492 -6.287 1.00 23.52 C ATOM 1362 CG LYS A 88 10.536 -6.896 -6.222 1.00 22.54 C ATOM 1363 CD LYS A 88 11.621 -7.973 -6.294 1.00 15.04 C ATOM 1364 CE LYS A 88 11.504 -8.978 -5.150 1.00 20.12 C ATOM 1365 NZ LYS A 88 12.518 -10.061 -5.246 1.00 41.03 N ATOM 0 H LYS A 88 6.770 -8.075 -5.800 1.00 21.23 H new ATOM 0 HA LYS A 88 8.347 -5.620 -5.579 1.00 34.13 H new ATOM 0 HB2 LYS A 88 9.021 -8.202 -5.469 1.00 23.52 H new ATOM 0 HB3 LYS A 88 9.040 -8.055 -7.215 1.00 23.52 H new ATOM 0 HG2 LYS A 88 10.668 -6.192 -7.043 1.00 22.54 H new ATOM 0 HG3 LYS A 88 10.646 -6.331 -5.297 1.00 22.54 H new ATOM 0 HD2 LYS A 88 11.549 -8.498 -7.247 1.00 15.04 H new ATOM 0 HD3 LYS A 88 12.603 -7.501 -6.264 1.00 15.04 H new ATOM 0 HE2 LYS A 88 11.620 -8.458 -4.199 1.00 20.12 H new ATOM 0 HE3 LYS A 88 10.506 -9.416 -5.155 1.00 20.12 H new ATOM 0 HZ1 LYS A 88 12.400 -10.719 -4.449 1.00 41.03 H new ATOM 0 HZ2 LYS A 88 12.393 -10.576 -6.141 1.00 41.03 H new ATOM 0 HZ3 LYS A 88 13.472 -9.647 -5.215 1.00 41.03 H new ATOM 1379 N GLY A 89 7.549 -4.550 -7.693 1.00 24.34 N ATOM 1380 CA GLY A 89 7.003 -3.944 -8.909 1.00 24.52 C ATOM 1381 C GLY A 89 7.917 -2.943 -9.613 1.00 43.42 C ATOM 1382 O GLY A 89 9.114 -2.850 -9.329 1.00 64.34 O ATOM 0 H GLY A 89 7.786 -3.890 -6.953 1.00 24.34 H new ATOM 0 HA2 GLY A 89 6.756 -4.740 -9.611 1.00 24.52 H new ATOM 0 HA3 GLY A 89 6.070 -3.441 -8.656 1.00 24.52 H new ATOM 1386 N ASP A 90 7.322 -2.182 -10.532 1.00 3.20 N ATOM 1387 CA ASP A 90 8.046 -1.244 -11.395 1.00 64.12 C ATOM 1388 C ASP A 90 8.228 0.126 -10.725 1.00 44.31 C ATOM 1389 O ASP A 90 7.512 1.086 -11.017 1.00 52.22 O ATOM 1390 CB ASP A 90 7.290 -1.105 -12.720 1.00 34.15 C ATOM 1391 CG ASP A 90 7.941 -0.140 -13.699 1.00 23.11 C ATOM 1392 OD1 ASP A 90 9.032 -0.452 -14.216 1.00 54.05 O ATOM 1393 OD2 ASP A 90 7.355 0.928 -13.976 1.00 33.43 O ATOM 0 H ASP A 90 6.316 -2.198 -10.701 1.00 3.20 H new ATOM 0 HA ASP A 90 9.045 -1.638 -11.579 1.00 64.12 H new ATOM 0 HB2 ASP A 90 7.213 -2.086 -13.188 1.00 34.15 H new ATOM 0 HB3 ASP A 90 6.274 -0.769 -12.514 1.00 34.15 H new ATOM 1398 N VAL A 91 9.182 0.189 -9.809 1.00 73.52 N ATOM 1399 CA VAL A 91 9.506 1.432 -9.087 1.00 41.43 C ATOM 1400 C VAL A 91 10.998 1.496 -8.706 1.00 60.12 C ATOM 1401 O VAL A 91 11.647 0.459 -8.541 1.00 42.03 O ATOM 1402 CB VAL A 91 8.658 1.585 -7.791 1.00 75.44 C ATOM 1403 CG1 VAL A 91 7.190 1.864 -8.111 1.00 45.12 C ATOM 1404 CG2 VAL A 91 8.790 0.343 -6.911 1.00 75.21 C ATOM 0 H VAL A 91 9.756 -0.609 -9.539 1.00 73.52 H new ATOM 0 HA VAL A 91 9.270 2.248 -9.771 1.00 41.43 H new ATOM 0 HB VAL A 91 9.046 2.443 -7.242 1.00 75.44 H new ATOM 0 HG11 VAL A 91 6.628 1.965 -7.183 1.00 45.12 H new ATOM 0 HG12 VAL A 91 7.112 2.787 -8.685 1.00 45.12 H new ATOM 0 HG13 VAL A 91 6.782 1.039 -8.694 1.00 45.12 H new ATOM 0 HG21 VAL A 91 8.190 0.470 -6.010 1.00 75.21 H new ATOM 0 HG22 VAL A 91 8.440 -0.531 -7.460 1.00 75.21 H new ATOM 0 HG23 VAL A 91 9.835 0.203 -6.634 1.00 75.21 H new ATOM 1414 N PRO A 92 11.566 2.715 -8.577 1.00 14.25 N ATOM 1415 CA PRO A 92 12.933 2.908 -8.059 1.00 73.20 C ATOM 1416 C PRO A 92 12.981 2.876 -6.519 1.00 22.02 C ATOM 1417 O PRO A 92 11.942 2.927 -5.859 1.00 2.34 O ATOM 1418 CB PRO A 92 13.296 4.297 -8.591 1.00 2.21 C ATOM 1419 CG PRO A 92 11.995 5.031 -8.626 1.00 23.11 C ATOM 1420 CD PRO A 92 10.934 4.002 -8.944 1.00 34.33 C ATOM 0 HA PRO A 92 13.619 2.121 -8.372 1.00 73.20 H new ATOM 0 HB2 PRO A 92 14.017 4.795 -7.943 1.00 2.21 H new ATOM 0 HB3 PRO A 92 13.746 4.238 -9.582 1.00 2.21 H new ATOM 0 HG2 PRO A 92 11.795 5.513 -7.669 1.00 23.11 H new ATOM 0 HG3 PRO A 92 12.013 5.817 -9.381 1.00 23.11 H new ATOM 0 HD2 PRO A 92 10.023 4.177 -8.372 1.00 34.33 H new ATOM 0 HD3 PRO A 92 10.658 4.025 -9.998 1.00 34.33 H new ATOM 1428 N LYS A 93 14.183 2.804 -5.939 1.00 34.42 N ATOM 1429 CA LYS A 93 14.309 2.684 -4.480 1.00 5.24 C ATOM 1430 C LYS A 93 13.839 3.958 -3.761 1.00 0.11 C ATOM 1431 O LYS A 93 14.064 5.075 -4.239 1.00 21.35 O ATOM 1432 CB LYS A 93 15.751 2.363 -4.059 1.00 3.02 C ATOM 1433 CG LYS A 93 15.842 1.955 -2.592 1.00 43.21 C ATOM 1434 CD LYS A 93 17.267 1.734 -2.112 1.00 41.11 C ATOM 1435 CE LYS A 93 17.282 1.148 -0.704 1.00 74.45 C ATOM 1436 NZ LYS A 93 16.462 1.946 0.248 1.00 11.32 N ATOM 0 H LYS A 93 15.069 2.826 -6.445 1.00 34.42 H new ATOM 0 HA LYS A 93 13.664 1.857 -4.184 1.00 5.24 H new ATOM 0 HB2 LYS A 93 16.140 1.559 -4.683 1.00 3.02 H new ATOM 0 HB3 LYS A 93 16.382 3.235 -4.232 1.00 3.02 H new ATOM 0 HG2 LYS A 93 15.376 2.726 -1.979 1.00 43.21 H new ATOM 0 HG3 LYS A 93 15.270 1.039 -2.441 1.00 43.21 H new ATOM 0 HD2 LYS A 93 17.785 1.062 -2.796 1.00 41.11 H new ATOM 0 HD3 LYS A 93 17.809 2.679 -2.123 1.00 41.11 H new ATOM 0 HE2 LYS A 93 16.907 0.125 -0.734 1.00 74.45 H new ATOM 0 HE3 LYS A 93 18.310 1.100 -0.344 1.00 74.45 H new ATOM 0 HZ1 LYS A 93 16.768 1.747 1.222 1.00 11.32 H new ATOM 0 HZ2 LYS A 93 16.584 2.959 0.047 1.00 11.32 H new ATOM 0 HZ3 LYS A 93 15.459 1.691 0.141 1.00 11.32 H new ATOM 1450 N GLY A 94 13.222 3.782 -2.591 1.00 42.10 N ATOM 1451 CA GLY A 94 12.648 4.906 -1.861 1.00 40.23 C ATOM 1452 C GLY A 94 11.339 5.418 -2.466 1.00 35.30 C ATOM 1453 O GLY A 94 10.913 6.542 -2.188 1.00 43.34 O ATOM 0 H GLY A 94 13.109 2.877 -2.134 1.00 42.10 H new ATOM 0 HA2 GLY A 94 12.470 4.606 -0.828 1.00 40.23 H new ATOM 0 HA3 GLY A 94 13.371 5.721 -1.836 1.00 40.23 H new ATOM 1457 N MET A 95 10.691 4.596 -3.287 1.00 42.04 N ATOM 1458 CA MET A 95 9.443 4.976 -3.944 1.00 75.45 C ATOM 1459 C MET A 95 8.591 3.731 -4.253 1.00 71.41 C ATOM 1460 O MET A 95 9.113 2.715 -4.708 1.00 75.34 O ATOM 1461 CB MET A 95 9.782 5.746 -5.226 1.00 14.04 C ATOM 1462 CG MET A 95 8.607 6.470 -5.847 1.00 20.12 C ATOM 1463 SD MET A 95 9.118 7.595 -7.166 1.00 43.02 S ATOM 1464 CE MET A 95 7.575 8.422 -7.544 1.00 41.33 C ATOM 0 H MET A 95 11.013 3.655 -3.515 1.00 42.04 H new ATOM 0 HA MET A 95 8.855 5.614 -3.283 1.00 75.45 H new ATOM 0 HB2 MET A 95 10.565 6.472 -5.004 1.00 14.04 H new ATOM 0 HB3 MET A 95 10.192 5.049 -5.957 1.00 14.04 H new ATOM 0 HG2 MET A 95 7.903 5.740 -6.247 1.00 20.12 H new ATOM 0 HG3 MET A 95 8.080 7.032 -5.076 1.00 20.12 H new ATOM 0 HE1 MET A 95 7.203 8.076 -8.508 1.00 41.33 H new ATOM 0 HE2 MET A 95 6.842 8.196 -6.770 1.00 41.33 H new ATOM 0 HE3 MET A 95 7.740 9.499 -7.584 1.00 41.33 H new ATOM 1474 N ILE A 96 7.281 3.807 -4.004 1.00 21.12 N ATOM 1475 CA ILE A 96 6.388 2.652 -4.206 1.00 55.43 C ATOM 1476 C ILE A 96 5.122 3.042 -4.983 1.00 34.13 C ATOM 1477 O ILE A 96 4.652 4.177 -4.907 1.00 21.40 O ATOM 1478 CB ILE A 96 5.979 1.993 -2.858 1.00 20.45 C ATOM 1479 CG1 ILE A 96 5.195 2.979 -1.977 1.00 22.33 C ATOM 1480 CG2 ILE A 96 7.212 1.475 -2.116 1.00 3.35 C ATOM 1481 CD1 ILE A 96 4.707 2.377 -0.673 1.00 72.03 C ATOM 0 H ILE A 96 6.813 4.647 -3.665 1.00 21.12 H new ATOM 0 HA ILE A 96 6.955 1.929 -4.792 1.00 55.43 H new ATOM 0 HB ILE A 96 5.328 1.147 -3.081 1.00 20.45 H new ATOM 0 HG12 ILE A 96 5.829 3.838 -1.756 1.00 22.33 H new ATOM 0 HG13 ILE A 96 4.338 3.352 -2.538 1.00 22.33 H new ATOM 0 HG21 ILE A 96 6.905 1.018 -1.175 1.00 3.35 H new ATOM 0 HG22 ILE A 96 7.722 0.733 -2.731 1.00 3.35 H new ATOM 0 HG23 ILE A 96 7.889 2.305 -1.912 1.00 3.35 H new ATOM 0 HD11 ILE A 96 4.163 3.132 -0.105 1.00 72.03 H new ATOM 0 HD12 ILE A 96 4.047 1.536 -0.885 1.00 72.03 H new ATOM 0 HD13 ILE A 96 5.560 2.030 -0.091 1.00 72.03 H new ATOM 1493 N PHE A 97 4.571 2.089 -5.726 1.00 62.32 N ATOM 1494 CA PHE A 97 3.395 2.338 -6.574 1.00 21.24 C ATOM 1495 C PHE A 97 2.153 1.588 -6.066 1.00 33.13 C ATOM 1496 O PHE A 97 2.209 0.394 -5.802 1.00 64.12 O ATOM 1497 CB PHE A 97 3.705 1.907 -8.017 1.00 63.43 C ATOM 1498 CG PHE A 97 2.557 2.076 -8.986 1.00 72.14 C ATOM 1499 CD1 PHE A 97 1.622 1.063 -9.167 1.00 53.32 C ATOM 1500 CD2 PHE A 97 2.415 3.246 -9.718 1.00 61.25 C ATOM 1501 CE1 PHE A 97 0.577 1.213 -10.055 1.00 4.40 C ATOM 1502 CE2 PHE A 97 1.370 3.399 -10.607 1.00 74.20 C ATOM 1503 CZ PHE A 97 0.450 2.382 -10.775 1.00 41.33 C ATOM 0 H PHE A 97 4.917 1.130 -5.763 1.00 62.32 H new ATOM 0 HA PHE A 97 3.175 3.405 -6.538 1.00 21.24 H new ATOM 0 HB2 PHE A 97 4.556 2.483 -8.379 1.00 63.43 H new ATOM 0 HB3 PHE A 97 4.008 0.860 -8.012 1.00 63.43 H new ATOM 0 HD1 PHE A 97 1.715 0.146 -8.604 1.00 53.32 H new ATOM 0 HD2 PHE A 97 3.130 4.046 -9.591 1.00 61.25 H new ATOM 0 HE1 PHE A 97 -0.140 0.416 -10.186 1.00 4.40 H new ATOM 0 HE2 PHE A 97 1.272 4.314 -11.172 1.00 74.20 H new ATOM 0 HZ PHE A 97 -0.368 2.503 -11.470 1.00 41.33 H new ATOM 1513 N ILE A 98 1.031 2.294 -5.939 1.00 55.32 N ATOM 1514 CA ILE A 98 -0.249 1.660 -5.588 1.00 42.11 C ATOM 1515 C ILE A 98 -1.337 2.013 -6.623 1.00 13.52 C ATOM 1516 O ILE A 98 -1.488 3.177 -7.003 1.00 21.52 O ATOM 1517 CB ILE A 98 -0.732 2.079 -4.167 1.00 50.23 C ATOM 1518 CG1 ILE A 98 0.317 1.695 -3.106 1.00 3.11 C ATOM 1519 CG2 ILE A 98 -2.086 1.442 -3.842 1.00 11.33 C ATOM 1520 CD1 ILE A 98 -0.115 1.965 -1.677 1.00 45.30 C ATOM 0 H ILE A 98 0.977 3.304 -6.073 1.00 55.32 H new ATOM 0 HA ILE A 98 -0.081 0.583 -5.591 1.00 42.11 H new ATOM 0 HB ILE A 98 -0.856 3.162 -4.154 1.00 50.23 H new ATOM 0 HG12 ILE A 98 0.550 0.635 -3.209 1.00 3.11 H new ATOM 0 HG13 ILE A 98 1.237 2.245 -3.305 1.00 3.11 H new ATOM 0 HG21 ILE A 98 -2.403 1.749 -2.845 1.00 11.33 H new ATOM 0 HG22 ILE A 98 -2.826 1.767 -4.574 1.00 11.33 H new ATOM 0 HG23 ILE A 98 -1.995 0.356 -3.875 1.00 11.33 H new ATOM 0 HD11 ILE A 98 0.680 1.667 -0.994 1.00 45.30 H new ATOM 0 HD12 ILE A 98 -0.319 3.029 -1.553 1.00 45.30 H new ATOM 0 HD13 ILE A 98 -1.017 1.394 -1.455 1.00 45.30 H new ATOM 1532 N PRO A 99 -2.091 1.010 -7.118 1.00 10.43 N ATOM 1533 CA PRO A 99 -3.214 1.246 -8.046 1.00 3.41 C ATOM 1534 C PRO A 99 -4.282 2.197 -7.463 1.00 40.41 C ATOM 1535 O PRO A 99 -4.596 2.140 -6.270 1.00 3.22 O ATOM 1536 CB PRO A 99 -3.797 -0.162 -8.262 1.00 73.05 C ATOM 1537 CG PRO A 99 -2.673 -1.090 -7.946 1.00 50.23 C ATOM 1538 CD PRO A 99 -1.902 -0.426 -6.837 1.00 74.32 C ATOM 0 HA PRO A 99 -2.886 1.733 -8.964 1.00 3.41 H new ATOM 0 HB2 PRO A 99 -4.653 -0.340 -7.611 1.00 73.05 H new ATOM 0 HB3 PRO A 99 -4.143 -0.294 -9.287 1.00 73.05 H new ATOM 0 HG2 PRO A 99 -3.046 -2.066 -7.635 1.00 50.23 H new ATOM 0 HG3 PRO A 99 -2.042 -1.253 -8.819 1.00 50.23 H new ATOM 0 HD2 PRO A 99 -2.289 -0.700 -5.856 1.00 74.32 H new ATOM 0 HD3 PRO A 99 -0.849 -0.706 -6.854 1.00 74.32 H new ATOM 1546 N MET A 100 -4.834 3.071 -8.310 1.00 42.15 N ATOM 1547 CA MET A 100 -5.839 4.052 -7.875 1.00 65.13 C ATOM 1548 C MET A 100 -7.086 3.346 -7.318 1.00 10.24 C ATOM 1549 O MET A 100 -7.900 2.811 -8.075 1.00 43.13 O ATOM 1550 CB MET A 100 -6.235 4.968 -9.049 1.00 41.43 C ATOM 1551 CG MET A 100 -6.821 6.327 -8.648 1.00 62.54 C ATOM 1552 SD MET A 100 -8.220 6.221 -7.503 1.00 23.01 S ATOM 1553 CE MET A 100 -7.405 6.451 -5.920 1.00 21.33 C ATOM 0 H MET A 100 -4.603 3.121 -9.302 1.00 42.15 H new ATOM 0 HA MET A 100 -5.401 4.658 -7.082 1.00 65.13 H new ATOM 0 HB2 MET A 100 -5.355 5.139 -9.669 1.00 41.43 H new ATOM 0 HB3 MET A 100 -6.964 4.444 -9.668 1.00 41.43 H new ATOM 0 HG2 MET A 100 -6.036 6.928 -8.190 1.00 62.54 H new ATOM 0 HG3 MET A 100 -7.141 6.852 -9.548 1.00 62.54 H new ATOM 0 HE1 MET A 100 -7.831 5.765 -5.188 1.00 21.33 H new ATOM 0 HE2 MET A 100 -6.339 6.251 -6.027 1.00 21.33 H new ATOM 0 HE3 MET A 100 -7.549 7.477 -5.582 1.00 21.33 H new ATOM 1563 N GLY A 101 -7.221 3.332 -5.994 1.00 54.55 N ATOM 1564 CA GLY A 101 -8.376 2.693 -5.370 1.00 21.31 C ATOM 1565 C GLY A 101 -8.552 3.075 -3.904 1.00 10.15 C ATOM 1566 O GLY A 101 -7.761 3.849 -3.369 1.00 14.44 O ATOM 0 H GLY A 101 -6.557 3.749 -5.342 1.00 54.55 H new ATOM 0 HA2 GLY A 101 -9.276 2.966 -5.921 1.00 21.31 H new ATOM 0 HA3 GLY A 101 -8.271 1.611 -5.447 1.00 21.31 H new ATOM 1570 N PRO A 102 -9.573 2.521 -3.220 1.00 14.13 N ATOM 1571 CA PRO A 102 -9.868 2.850 -1.810 1.00 25.15 C ATOM 1572 C PRO A 102 -8.654 2.646 -0.887 1.00 25.44 C ATOM 1573 O PRO A 102 -8.481 3.361 0.098 1.00 73.31 O ATOM 1574 CB PRO A 102 -11.017 1.889 -1.438 1.00 75.31 C ATOM 1575 CG PRO A 102 -11.047 0.859 -2.525 1.00 43.11 C ATOM 1576 CD PRO A 102 -10.521 1.537 -3.760 1.00 1.31 C ATOM 0 HA PRO A 102 -10.130 3.901 -1.688 1.00 25.15 H new ATOM 0 HB2 PRO A 102 -10.843 1.428 -0.466 1.00 75.31 H new ATOM 0 HB3 PRO A 102 -11.967 2.420 -1.374 1.00 75.31 H new ATOM 0 HG2 PRO A 102 -10.433 -0.002 -2.262 1.00 43.11 H new ATOM 0 HG3 PRO A 102 -12.060 0.491 -2.685 1.00 43.11 H new ATOM 0 HD2 PRO A 102 -10.031 0.831 -4.430 1.00 1.31 H new ATOM 0 HD3 PRO A 102 -11.319 2.015 -4.328 1.00 1.31 H new ATOM 1584 N TYR A 103 -7.808 1.674 -1.225 1.00 4.30 N ATOM 1585 CA TYR A 103 -6.581 1.406 -0.467 1.00 45.52 C ATOM 1586 C TYR A 103 -5.599 2.577 -0.587 1.00 3.32 C ATOM 1587 O TYR A 103 -5.102 3.089 0.416 1.00 15.02 O ATOM 1588 CB TYR A 103 -5.938 0.103 -0.957 1.00 52.10 C ATOM 1589 CG TYR A 103 -6.824 -1.112 -0.748 1.00 65.32 C ATOM 1590 CD1 TYR A 103 -7.926 -1.341 -1.567 1.00 0.02 C ATOM 1591 CD2 TYR A 103 -6.575 -2.015 0.282 1.00 12.01 C ATOM 1592 CE1 TYR A 103 -8.744 -2.435 -1.371 1.00 43.34 C ATOM 1593 CE2 TYR A 103 -7.392 -3.109 0.483 1.00 70.53 C ATOM 1594 CZ TYR A 103 -8.478 -3.311 -0.344 1.00 63.13 C ATOM 1595 OH TYR A 103 -9.299 -4.395 -0.148 1.00 23.31 O ATOM 0 H TYR A 103 -7.949 1.054 -2.023 1.00 4.30 H new ATOM 0 HA TYR A 103 -6.838 1.294 0.586 1.00 45.52 H new ATOM 0 HB2 TYR A 103 -5.704 0.197 -2.017 1.00 52.10 H new ATOM 0 HB3 TYR A 103 -4.994 -0.049 -0.434 1.00 52.10 H new ATOM 0 HD1 TYR A 103 -8.144 -0.651 -2.369 1.00 0.02 H new ATOM 0 HD2 TYR A 103 -5.729 -1.857 0.934 1.00 12.01 H new ATOM 0 HE1 TYR A 103 -9.590 -2.603 -2.021 1.00 43.34 H new ATOM 0 HE2 TYR A 103 -7.182 -3.803 1.283 1.00 70.53 H new ATOM 0 HH TYR A 103 -9.028 -4.867 0.667 1.00 23.31 H new ATOM 1605 N ALA A 104 -5.338 3.007 -1.818 1.00 41.40 N ATOM 1606 CA ALA A 104 -4.510 4.189 -2.063 1.00 74.21 C ATOM 1607 C ALA A 104 -5.157 5.444 -1.454 1.00 33.31 C ATOM 1608 O ALA A 104 -4.476 6.301 -0.902 1.00 5.32 O ATOM 1609 CB ALA A 104 -4.286 4.376 -3.560 1.00 13.31 C ATOM 0 H ALA A 104 -5.687 2.556 -2.664 1.00 41.40 H new ATOM 0 HA ALA A 104 -3.544 4.038 -1.582 1.00 74.21 H new ATOM 0 HB1 ALA A 104 -3.669 5.259 -3.728 1.00 13.31 H new ATOM 0 HB2 ALA A 104 -3.782 3.498 -3.965 1.00 13.31 H new ATOM 0 HB3 ALA A 104 -5.247 4.505 -4.058 1.00 13.31 H new ATOM 1615 N ASN A 105 -6.482 5.525 -1.550 1.00 52.12 N ATOM 1616 CA ASN A 105 -7.262 6.636 -0.984 1.00 14.42 C ATOM 1617 C ASN A 105 -6.955 6.863 0.512 1.00 4.15 C ATOM 1618 O ASN A 105 -7.092 7.974 1.021 1.00 15.25 O ATOM 1619 CB ASN A 105 -8.758 6.347 -1.191 1.00 14.33 C ATOM 1620 CG ASN A 105 -9.667 7.275 -0.410 1.00 62.32 C ATOM 1621 OD1 ASN A 105 -10.066 8.333 -0.889 1.00 63.20 O ATOM 1622 ND2 ASN A 105 -10.020 6.873 0.794 1.00 71.51 N ATOM 0 H ASN A 105 -7.051 4.823 -2.023 1.00 52.12 H new ATOM 0 HA ASN A 105 -6.981 7.553 -1.502 1.00 14.42 H new ATOM 0 HB2 ASN A 105 -8.992 6.430 -2.252 1.00 14.33 H new ATOM 0 HB3 ASN A 105 -8.965 5.318 -0.898 1.00 14.33 H new ATOM 0 HD21 ASN A 105 -10.645 7.447 1.361 1.00 71.51 H new ATOM 0 HD22 ASN A 105 -9.669 5.988 1.159 1.00 71.51 H new ATOM 1629 N MET A 106 -6.530 5.806 1.202 1.00 73.35 N ATOM 1630 CA MET A 106 -6.200 5.886 2.633 1.00 12.42 C ATOM 1631 C MET A 106 -4.869 6.617 2.880 1.00 52.25 C ATOM 1632 O MET A 106 -4.612 7.099 3.984 1.00 1.50 O ATOM 1633 CB MET A 106 -6.116 4.474 3.225 1.00 43.43 C ATOM 1634 CG MET A 106 -7.387 3.661 3.047 1.00 62.41 C ATOM 1635 SD MET A 106 -8.750 4.258 4.064 1.00 24.12 S ATOM 1636 CE MET A 106 -8.266 3.649 5.677 1.00 22.20 C ATOM 0 H MET A 106 -6.404 4.879 0.796 1.00 73.35 H new ATOM 0 HA MET A 106 -6.992 6.456 3.119 1.00 12.42 H new ATOM 0 HB2 MET A 106 -5.287 3.942 2.758 1.00 43.43 H new ATOM 0 HB3 MET A 106 -5.889 4.548 4.288 1.00 43.43 H new ATOM 0 HG2 MET A 106 -7.684 3.686 1.999 1.00 62.41 H new ATOM 0 HG3 MET A 106 -7.184 2.619 3.296 1.00 62.41 H new ATOM 0 HE1 MET A 106 -9.090 3.782 6.378 1.00 22.20 H new ATOM 0 HE2 MET A 106 -8.017 2.590 5.606 1.00 22.20 H new ATOM 0 HE3 MET A 106 -7.396 4.204 6.029 1.00 22.20 H new ATOM 1646 N VAL A 107 -4.022 6.685 1.852 1.00 24.55 N ATOM 1647 CA VAL A 107 -2.665 7.229 2.005 1.00 43.33 C ATOM 1648 C VAL A 107 -2.327 8.312 0.963 1.00 20.24 C ATOM 1649 O VAL A 107 -1.279 8.953 1.051 1.00 73.24 O ATOM 1650 CB VAL A 107 -1.603 6.099 1.932 1.00 32.55 C ATOM 1651 CG1 VAL A 107 -1.759 5.128 3.104 1.00 34.41 C ATOM 1652 CG2 VAL A 107 -1.689 5.356 0.596 1.00 72.25 C ATOM 0 H VAL A 107 -4.247 6.373 0.907 1.00 24.55 H new ATOM 0 HA VAL A 107 -2.642 7.698 2.989 1.00 43.33 H new ATOM 0 HB VAL A 107 -0.617 6.558 2.002 1.00 32.55 H new ATOM 0 HG11 VAL A 107 -1.004 4.345 3.031 1.00 34.41 H new ATOM 0 HG12 VAL A 107 -1.633 5.667 4.043 1.00 34.41 H new ATOM 0 HG13 VAL A 107 -2.752 4.679 3.074 1.00 34.41 H new ATOM 0 HG21 VAL A 107 -0.935 4.569 0.568 1.00 72.25 H new ATOM 0 HG22 VAL A 107 -2.679 4.914 0.489 1.00 72.25 H new ATOM 0 HG23 VAL A 107 -1.513 6.056 -0.221 1.00 72.25 H new ATOM 1662 N ILE A 108 -3.201 8.525 -0.018 1.00 41.32 N ATOM 1663 CA ILE A 108 -2.952 9.547 -1.041 1.00 60.40 C ATOM 1664 C ILE A 108 -3.836 10.787 -0.829 1.00 62.01 C ATOM 1665 O ILE A 108 -4.635 10.844 0.104 1.00 4.13 O ATOM 1666 CB ILE A 108 -3.183 9.016 -2.475 1.00 12.01 C ATOM 1667 CG1 ILE A 108 -4.681 8.901 -2.782 1.00 2.30 C ATOM 1668 CG2 ILE A 108 -2.485 7.669 -2.689 1.00 72.31 C ATOM 1669 CD1 ILE A 108 -4.948 8.715 -4.247 1.00 25.01 C ATOM 0 H ILE A 108 -4.077 8.014 -0.129 1.00 41.32 H new ATOM 0 HA ILE A 108 -1.903 9.821 -0.933 1.00 60.40 H new ATOM 0 HB ILE A 108 -2.745 9.735 -3.167 1.00 12.01 H new ATOM 0 HG12 ILE A 108 -5.100 8.060 -2.229 1.00 2.30 H new ATOM 0 HG13 ILE A 108 -5.191 9.799 -2.433 1.00 2.30 H new ATOM 0 HG21 ILE A 108 -2.667 7.323 -3.706 1.00 72.31 H new ATOM 0 HG22 ILE A 108 -1.413 7.786 -2.531 1.00 72.31 H new ATOM 0 HG23 ILE A 108 -2.878 6.939 -1.982 1.00 72.31 H new ATOM 0 HD11 ILE A 108 -6.022 8.639 -4.414 1.00 25.01 H new ATOM 0 HD12 ILE A 108 -4.554 9.568 -4.800 1.00 25.01 H new ATOM 0 HD13 ILE A 108 -4.461 7.803 -4.593 1.00 25.01 H new ATOM 1681 N ASP A 109 -3.682 11.778 -1.705 1.00 63.12 N ATOM 1682 CA ASP A 109 -4.521 12.978 -1.682 1.00 54.11 C ATOM 1683 C ASP A 109 -5.758 12.799 -2.582 1.00 5.33 C ATOM 1684 O ASP A 109 -5.637 12.734 -3.805 1.00 65.01 O ATOM 1685 CB ASP A 109 -3.703 14.195 -2.139 1.00 45.21 C ATOM 1686 CG ASP A 109 -4.533 15.472 -2.204 1.00 14.45 C ATOM 1687 OD1 ASP A 109 -5.220 15.791 -1.208 1.00 41.31 O ATOM 1688 OD2 ASP A 109 -4.510 16.154 -3.253 1.00 73.25 O ATOM 0 H ASP A 109 -2.980 11.774 -2.445 1.00 63.12 H new ATOM 0 HA ASP A 109 -4.865 13.141 -0.661 1.00 54.11 H new ATOM 0 HB2 ASP A 109 -2.868 14.344 -1.454 1.00 45.21 H new ATOM 0 HB3 ASP A 109 -3.277 13.993 -3.122 1.00 45.21 H new ATOM 1693 N PRO A 110 -6.966 12.704 -1.990 1.00 51.25 N ATOM 1694 CA PRO A 110 -8.213 12.565 -2.761 1.00 33.24 C ATOM 1695 C PRO A 110 -8.647 13.883 -3.428 1.00 42.44 C ATOM 1696 O PRO A 110 -9.509 13.889 -4.313 1.00 52.33 O ATOM 1697 CB PRO A 110 -9.226 12.129 -1.697 1.00 71.33 C ATOM 1698 CG PRO A 110 -8.720 12.734 -0.432 1.00 72.40 C ATOM 1699 CD PRO A 110 -7.215 12.709 -0.532 1.00 40.24 C ATOM 0 HA PRO A 110 -8.112 11.863 -3.588 1.00 33.24 H new ATOM 0 HB2 PRO A 110 -10.229 12.485 -1.934 1.00 71.33 H new ATOM 0 HB3 PRO A 110 -9.282 11.043 -1.623 1.00 71.33 H new ATOM 0 HG2 PRO A 110 -9.086 13.754 -0.313 1.00 72.40 H new ATOM 0 HG3 PRO A 110 -9.063 12.169 0.435 1.00 72.40 H new ATOM 0 HD2 PRO A 110 -6.766 13.578 -0.051 1.00 40.24 H new ATOM 0 HD3 PRO A 110 -6.795 11.826 -0.050 1.00 40.24 H new ATOM 1707 N SER A 111 -8.038 14.994 -3.001 1.00 43.45 N ATOM 1708 CA SER A 111 -8.344 16.319 -3.554 1.00 12.34 C ATOM 1709 C SER A 111 -8.006 16.379 -5.048 1.00 32.11 C ATOM 1710 O SER A 111 -8.902 16.442 -5.888 1.00 24.12 O ATOM 1711 CB SER A 111 -7.568 17.415 -2.808 1.00 61.14 C ATOM 1712 OG SER A 111 -7.749 17.313 -1.403 1.00 31.01 O ATOM 0 H SER A 111 -7.326 15.002 -2.270 1.00 43.45 H new ATOM 0 HA SER A 111 -9.413 16.491 -3.426 1.00 12.34 H new ATOM 0 HB2 SER A 111 -6.507 17.338 -3.046 1.00 61.14 H new ATOM 0 HB3 SER A 111 -7.901 18.395 -3.149 1.00 61.14 H new ATOM 0 HG SER A 111 -7.003 16.812 -1.013 1.00 31.01 H new ATOM 1718 N THR A 112 -6.705 16.341 -5.365 1.00 23.24 N ATOM 1719 CA THR A 112 -6.216 16.366 -6.763 1.00 23.35 C ATOM 1720 C THR A 112 -6.852 17.499 -7.597 1.00 11.33 C ATOM 1721 O THR A 112 -7.417 18.450 -7.052 1.00 41.31 O ATOM 1722 CB THR A 112 -6.460 15.009 -7.486 1.00 64.52 C ATOM 1723 OG1 THR A 112 -7.865 14.779 -7.680 1.00 13.21 O ATOM 1724 CG2 THR A 112 -5.859 13.850 -6.698 1.00 42.24 C ATOM 0 H THR A 112 -5.961 16.292 -4.669 1.00 23.24 H new ATOM 0 HA THR A 112 -5.144 16.550 -6.690 1.00 23.35 H new ATOM 0 HB THR A 112 -5.970 15.065 -8.458 1.00 64.52 H new ATOM 0 HG1 THR A 112 -8.378 15.441 -7.171 1.00 13.21 H new ATOM 0 HG21 THR A 112 -6.045 12.915 -7.227 1.00 42.24 H new ATOM 0 HG22 THR A 112 -4.784 14.000 -6.593 1.00 42.24 H new ATOM 0 HG23 THR A 112 -6.317 13.805 -5.710 1.00 42.24 H new ATOM 1732 N ASP A 113 -6.736 17.403 -8.924 1.00 72.52 N ATOM 1733 CA ASP A 113 -7.338 18.383 -9.833 1.00 62.20 C ATOM 1734 C ASP A 113 -7.734 17.716 -11.161 1.00 1.33 C ATOM 1735 O ASP A 113 -7.195 16.670 -11.523 1.00 4.14 O ATOM 1736 CB ASP A 113 -6.362 19.544 -10.082 1.00 50.43 C ATOM 1737 CG ASP A 113 -7.003 20.680 -10.865 1.00 74.35 C ATOM 1738 OD1 ASP A 113 -7.720 21.497 -10.251 1.00 23.11 O ATOM 1739 OD2 ASP A 113 -6.807 20.759 -12.096 1.00 20.13 O ATOM 0 H ASP A 113 -6.229 16.654 -9.395 1.00 72.52 H new ATOM 0 HA ASP A 113 -8.241 18.780 -9.369 1.00 62.20 H new ATOM 0 HB2 ASP A 113 -6.001 19.923 -9.126 1.00 50.43 H new ATOM 0 HB3 ASP A 113 -5.493 19.175 -10.627 1.00 50.43 H new ATOM 1744 N GLY A 114 -8.678 18.328 -11.879 1.00 63.50 N ATOM 1745 CA GLY A 114 -9.148 17.772 -13.147 1.00 53.21 C ATOM 1746 C GLY A 114 -8.056 17.646 -14.209 1.00 11.35 C ATOM 1747 O GLY A 114 -8.178 16.846 -15.139 1.00 1.23 O ATOM 0 H GLY A 114 -9.128 19.202 -11.606 1.00 63.50 H new ATOM 0 HA2 GLY A 114 -9.579 16.788 -12.964 1.00 53.21 H new ATOM 0 HA3 GLY A 114 -9.948 18.403 -13.535 1.00 53.21 H new ATOM 1751 N THR A 115 -6.992 18.437 -14.078 1.00 71.14 N ATOM 1752 CA THR A 115 -5.873 18.403 -15.033 1.00 74.42 C ATOM 1753 C THR A 115 -4.838 17.325 -14.662 1.00 64.43 C ATOM 1754 O THR A 115 -4.731 16.293 -15.332 1.00 45.34 O ATOM 1755 CB THR A 115 -5.159 19.777 -15.119 1.00 42.24 C ATOM 1756 OG1 THR A 115 -4.661 20.162 -13.825 1.00 34.24 O ATOM 1757 CG2 THR A 115 -6.102 20.855 -15.643 1.00 40.23 C ATOM 0 H THR A 115 -6.876 19.111 -13.321 1.00 71.14 H new ATOM 0 HA THR A 115 -6.306 18.160 -16.003 1.00 74.42 H new ATOM 0 HB THR A 115 -4.326 19.676 -15.814 1.00 42.24 H new ATOM 0 HG1 THR A 115 -5.410 20.430 -13.253 1.00 34.24 H new ATOM 0 HG21 THR A 115 -5.574 21.807 -15.693 1.00 40.23 H new ATOM 0 HG22 THR A 115 -6.450 20.581 -16.639 1.00 40.23 H new ATOM 0 HG23 THR A 115 -6.956 20.948 -14.973 1.00 40.23 H new ATOM 1765 N GLY A 116 -4.079 17.568 -13.592 1.00 65.53 N ATOM 1766 CA GLY A 116 -3.056 16.621 -13.153 1.00 10.32 C ATOM 1767 C GLY A 116 -1.672 16.920 -13.732 1.00 12.01 C ATOM 1768 O GLY A 116 -1.548 17.379 -14.868 1.00 70.53 O ATOM 0 H GLY A 116 -4.153 18.407 -13.017 1.00 65.53 H new ATOM 0 HA2 GLY A 116 -2.999 16.636 -12.065 1.00 10.32 H new ATOM 0 HA3 GLY A 116 -3.354 15.613 -13.442 1.00 10.32 H new ATOM 1772 N MET A 117 -0.628 16.647 -12.953 1.00 33.00 N ATOM 1773 CA MET A 117 0.754 16.894 -13.385 1.00 40.10 C ATOM 1774 C MET A 117 1.329 15.697 -14.170 1.00 4.55 C ATOM 1775 O MET A 117 0.943 14.546 -13.944 1.00 33.40 O ATOM 1776 CB MET A 117 1.643 17.186 -12.166 1.00 24.50 C ATOM 1777 CG MET A 117 1.187 18.380 -11.336 1.00 70.34 C ATOM 1778 SD MET A 117 2.305 18.750 -9.967 1.00 4.15 S ATOM 1779 CE MET A 117 3.802 19.197 -10.848 1.00 14.34 C ATOM 0 H MET A 117 -0.709 16.253 -12.016 1.00 33.00 H new ATOM 0 HA MET A 117 0.742 17.759 -14.048 1.00 40.10 H new ATOM 0 HB2 MET A 117 1.669 16.302 -11.528 1.00 24.50 H new ATOM 0 HB3 MET A 117 2.663 17.363 -12.507 1.00 24.50 H new ATOM 0 HG2 MET A 117 1.107 19.255 -11.981 1.00 70.34 H new ATOM 0 HG3 MET A 117 0.190 18.183 -10.942 1.00 70.34 H new ATOM 0 HE1 MET A 117 4.443 19.792 -10.198 1.00 14.34 H new ATOM 0 HE2 MET A 117 4.331 18.293 -11.149 1.00 14.34 H new ATOM 0 HE3 MET A 117 3.543 19.778 -11.733 1.00 14.34 H new ATOM 1789 N PRO A 118 2.260 15.951 -15.113 1.00 50.21 N ATOM 1790 CA PRO A 118 2.948 14.880 -15.855 1.00 45.43 C ATOM 1791 C PRO A 118 4.103 14.250 -15.050 1.00 63.32 C ATOM 1792 O PRO A 118 4.326 14.600 -13.889 1.00 34.22 O ATOM 1793 CB PRO A 118 3.484 15.620 -17.084 1.00 3.33 C ATOM 1794 CG PRO A 118 3.765 17.000 -16.586 1.00 45.32 C ATOM 1795 CD PRO A 118 2.706 17.293 -15.548 1.00 11.13 C ATOM 0 HA PRO A 118 2.289 14.044 -16.088 1.00 45.43 H new ATOM 0 HB2 PRO A 118 4.385 15.146 -17.473 1.00 3.33 H new ATOM 0 HB3 PRO A 118 2.754 15.629 -17.893 1.00 3.33 H new ATOM 0 HG2 PRO A 118 4.763 17.063 -16.153 1.00 45.32 H new ATOM 0 HG3 PRO A 118 3.724 17.724 -17.400 1.00 45.32 H new ATOM 0 HD2 PRO A 118 3.110 17.870 -14.716 1.00 11.13 H new ATOM 0 HD3 PRO A 118 1.883 17.872 -15.968 1.00 11.13 H new ATOM 1803 N GLN A 119 4.833 13.322 -15.680 1.00 50.24 N ATOM 1804 CA GLN A 119 5.979 12.641 -15.043 1.00 41.34 C ATOM 1805 C GLN A 119 5.554 11.768 -13.842 1.00 75.42 C ATOM 1806 O GLN A 119 4.422 11.849 -13.358 1.00 14.52 O ATOM 1807 CB GLN A 119 7.043 13.669 -14.613 1.00 2.32 C ATOM 1808 CG GLN A 119 7.605 14.489 -15.771 1.00 11.31 C ATOM 1809 CD GLN A 119 8.564 15.577 -15.317 1.00 62.05 C ATOM 1810 OE1 GLN A 119 8.162 16.702 -15.037 1.00 50.11 O ATOM 1811 NE2 GLN A 119 9.839 15.254 -15.246 1.00 31.35 N ATOM 0 H GLN A 119 4.653 13.020 -16.637 1.00 50.24 H new ATOM 0 HA GLN A 119 6.408 11.971 -15.788 1.00 41.34 H new ATOM 0 HB2 GLN A 119 6.606 14.345 -13.878 1.00 2.32 H new ATOM 0 HB3 GLN A 119 7.862 13.146 -14.118 1.00 2.32 H new ATOM 0 HG2 GLN A 119 8.120 13.824 -16.464 1.00 11.31 H new ATOM 0 HG3 GLN A 119 6.781 14.945 -16.320 1.00 11.31 H new ATOM 0 HE21 GLN A 119 10.140 14.309 -15.486 1.00 31.35 H new ATOM 0 HE22 GLN A 119 10.525 15.948 -14.951 1.00 31.35 H new ATOM 1820 N PHE A 120 6.468 10.915 -13.377 1.00 13.02 N ATOM 1821 CA PHE A 120 6.189 10.013 -12.251 1.00 53.12 C ATOM 1822 C PHE A 120 6.140 10.773 -10.909 1.00 32.03 C ATOM 1823 O PHE A 120 7.156 11.265 -10.412 1.00 70.44 O ATOM 1824 CB PHE A 120 7.226 8.867 -12.202 1.00 4.52 C ATOM 1825 CG PHE A 120 8.655 9.306 -11.950 1.00 40.23 C ATOM 1826 CD1 PHE A 120 9.376 9.993 -12.918 1.00 14.44 C ATOM 1827 CD2 PHE A 120 9.278 9.021 -10.740 1.00 52.21 C ATOM 1828 CE1 PHE A 120 10.679 10.388 -12.684 1.00 50.33 C ATOM 1829 CE2 PHE A 120 10.582 9.415 -10.503 1.00 71.44 C ATOM 1830 CZ PHE A 120 11.283 10.099 -11.476 1.00 54.22 C ATOM 0 H PHE A 120 7.409 10.827 -13.761 1.00 13.02 H new ATOM 0 HA PHE A 120 5.202 9.578 -12.412 1.00 53.12 H new ATOM 0 HB2 PHE A 120 6.934 8.166 -11.420 1.00 4.52 H new ATOM 0 HB3 PHE A 120 7.190 8.324 -13.146 1.00 4.52 H new ATOM 0 HD1 PHE A 120 8.912 10.221 -13.866 1.00 14.44 H new ATOM 0 HD2 PHE A 120 8.736 8.485 -9.975 1.00 52.21 H new ATOM 0 HE1 PHE A 120 11.226 10.923 -13.446 1.00 50.33 H new ATOM 0 HE2 PHE A 120 11.052 9.188 -9.557 1.00 71.44 H new ATOM 0 HZ PHE A 120 12.302 10.407 -11.293 1.00 54.22 H new ATOM 1840 N LYS A 121 4.948 10.872 -10.330 1.00 2.31 N ATOM 1841 CA LYS A 121 4.764 11.581 -9.061 1.00 15.14 C ATOM 1842 C LYS A 121 3.660 10.937 -8.210 1.00 12.51 C ATOM 1843 O LYS A 121 2.616 10.533 -8.725 1.00 42.12 O ATOM 1844 CB LYS A 121 4.434 13.061 -9.322 1.00 24.32 C ATOM 1845 CG LYS A 121 4.329 13.902 -8.051 1.00 44.11 C ATOM 1846 CD LYS A 121 5.633 13.881 -7.260 1.00 71.24 C ATOM 1847 CE LYS A 121 5.509 14.598 -5.922 1.00 10.10 C ATOM 1848 NZ LYS A 121 6.771 14.520 -5.141 1.00 13.21 N ATOM 0 H LYS A 121 4.093 10.472 -10.716 1.00 2.31 H new ATOM 0 HA LYS A 121 5.699 11.513 -8.504 1.00 15.14 H new ATOM 0 HB2 LYS A 121 5.203 13.487 -9.966 1.00 24.32 H new ATOM 0 HB3 LYS A 121 3.492 13.123 -9.867 1.00 24.32 H new ATOM 0 HG2 LYS A 121 4.077 14.930 -8.313 1.00 44.11 H new ATOM 0 HG3 LYS A 121 3.518 13.524 -7.429 1.00 44.11 H new ATOM 0 HD2 LYS A 121 5.935 12.848 -7.089 1.00 71.24 H new ATOM 0 HD3 LYS A 121 6.421 14.350 -7.850 1.00 71.24 H new ATOM 0 HE2 LYS A 121 5.249 15.643 -6.091 1.00 10.10 H new ATOM 0 HE3 LYS A 121 4.696 14.156 -5.346 1.00 10.10 H new ATOM 0 HZ1 LYS A 121 6.774 15.261 -4.411 1.00 13.21 H new ATOM 0 HZ2 LYS A 121 6.841 13.587 -4.687 1.00 13.21 H new ATOM 0 HZ3 LYS A 121 7.582 14.657 -5.777 1.00 13.21 H new ATOM 1862 N GLY A 122 3.901 10.840 -6.906 1.00 53.41 N ATOM 1863 CA GLY A 122 2.898 10.312 -5.987 1.00 32.42 C ATOM 1864 C GLY A 122 2.889 11.030 -4.640 1.00 14.21 C ATOM 1865 O GLY A 122 3.632 11.993 -4.434 1.00 50.13 O ATOM 0 H GLY A 122 4.777 11.118 -6.464 1.00 53.41 H new ATOM 0 HA2 GLY A 122 1.913 10.397 -6.445 1.00 32.42 H new ATOM 0 HA3 GLY A 122 3.084 9.250 -5.826 1.00 32.42 H new ATOM 1869 N VAL A 123 2.041 10.569 -3.724 1.00 34.02 N ATOM 1870 CA VAL A 123 1.980 11.131 -2.364 1.00 52.20 C ATOM 1871 C VAL A 123 3.025 10.482 -1.444 1.00 21.41 C ATOM 1872 O VAL A 123 3.078 9.267 -1.312 1.00 24.13 O ATOM 1873 CB VAL A 123 0.573 10.950 -1.749 1.00 60.22 C ATOM 1874 CG1 VAL A 123 0.543 11.437 -0.299 1.00 41.24 C ATOM 1875 CG2 VAL A 123 -0.473 11.673 -2.594 1.00 74.53 C ATOM 0 H VAL A 123 1.384 9.808 -3.892 1.00 34.02 H new ATOM 0 HA VAL A 123 2.198 12.196 -2.449 1.00 52.20 H new ATOM 0 HB VAL A 123 0.333 9.887 -1.745 1.00 60.22 H new ATOM 0 HG11 VAL A 123 -0.458 11.299 0.111 1.00 41.24 H new ATOM 0 HG12 VAL A 123 1.259 10.866 0.292 1.00 41.24 H new ATOM 0 HG13 VAL A 123 0.806 12.494 -0.265 1.00 41.24 H new ATOM 0 HG21 VAL A 123 -1.458 11.536 -2.148 1.00 74.53 H new ATOM 0 HG22 VAL A 123 -0.237 12.736 -2.634 1.00 74.53 H new ATOM 0 HG23 VAL A 123 -0.472 11.263 -3.604 1.00 74.53 H new ATOM 1885 N LYS A 124 3.843 11.299 -0.792 1.00 40.24 N ATOM 1886 CA LYS A 124 4.959 10.787 0.015 1.00 24.31 C ATOM 1887 C LYS A 124 4.497 10.180 1.356 1.00 0.24 C ATOM 1888 O LYS A 124 3.406 10.474 1.849 1.00 40.43 O ATOM 1889 CB LYS A 124 5.969 11.905 0.270 1.00 72.34 C ATOM 1890 CG LYS A 124 6.378 12.663 -0.990 1.00 33.12 C ATOM 1891 CD LYS A 124 7.532 13.618 -0.715 1.00 44.00 C ATOM 1892 CE LYS A 124 8.886 12.925 -0.829 1.00 4.12 C ATOM 1893 NZ LYS A 124 9.224 12.596 -2.240 1.00 23.43 N ATOM 0 H LYS A 124 3.761 12.316 -0.802 1.00 40.24 H new ATOM 0 HA LYS A 124 5.425 9.983 -0.555 1.00 24.31 H new ATOM 0 HB2 LYS A 124 5.545 12.610 0.985 1.00 72.34 H new ATOM 0 HB3 LYS A 124 6.860 11.479 0.732 1.00 72.34 H new ATOM 0 HG2 LYS A 124 6.668 11.954 -1.765 1.00 33.12 H new ATOM 0 HG3 LYS A 124 5.524 13.222 -1.373 1.00 33.12 H new ATOM 0 HD2 LYS A 124 7.490 14.450 -1.418 1.00 44.00 H new ATOM 0 HD3 LYS A 124 7.423 14.040 0.284 1.00 44.00 H new ATOM 0 HE2 LYS A 124 9.660 13.569 -0.411 1.00 4.12 H new ATOM 0 HE3 LYS A 124 8.877 12.011 -0.235 1.00 4.12 H new ATOM 0 HZ1 LYS A 124 9.656 11.651 -2.282 1.00 23.43 H new ATOM 0 HZ2 LYS A 124 8.358 12.607 -2.816 1.00 23.43 H new ATOM 0 HZ3 LYS A 124 9.895 13.300 -2.609 1.00 23.43 H new ATOM 1907 N GLY A 125 5.355 9.345 1.949 1.00 1.11 N ATOM 1908 CA GLY A 125 5.022 8.677 3.209 1.00 34.14 C ATOM 1909 C GLY A 125 6.041 7.613 3.636 1.00 51.30 C ATOM 1910 O GLY A 125 7.227 7.705 3.314 1.00 74.23 O ATOM 0 H GLY A 125 6.278 9.117 1.580 1.00 1.11 H new ATOM 0 HA2 GLY A 125 4.942 9.427 3.996 1.00 34.14 H new ATOM 0 HA3 GLY A 125 4.042 8.210 3.113 1.00 34.14 H new ATOM 1914 N THR A 126 5.576 6.600 4.375 1.00 12.33 N ATOM 1915 CA THR A 126 6.448 5.521 4.886 1.00 55.42 C ATOM 1916 C THR A 126 5.789 4.140 4.733 1.00 31.15 C ATOM 1917 O THR A 126 4.567 4.039 4.604 1.00 54.31 O ATOM 1918 CB THR A 126 6.789 5.720 6.384 1.00 44.04 C ATOM 1919 OG1 THR A 126 5.580 5.746 7.160 1.00 44.35 O ATOM 1920 CG2 THR A 126 7.578 7.007 6.618 1.00 1.14 C ATOM 0 H THR A 126 4.595 6.499 4.637 1.00 12.33 H new ATOM 0 HA THR A 126 7.360 5.566 4.290 1.00 55.42 H new ATOM 0 HB THR A 126 7.412 4.883 6.697 1.00 44.04 H new ATOM 0 HG1 THR A 126 4.845 6.089 6.610 1.00 44.35 H new ATOM 0 HG21 THR A 126 7.798 7.111 7.681 1.00 1.14 H new ATOM 0 HG22 THR A 126 8.511 6.969 6.056 1.00 1.14 H new ATOM 0 HG23 THR A 126 6.988 7.861 6.284 1.00 1.14 H new ATOM 1928 N VAL A 127 6.598 3.076 4.760 1.00 23.40 N ATOM 1929 CA VAL A 127 6.072 1.703 4.670 1.00 4.03 C ATOM 1930 C VAL A 127 6.946 0.696 5.446 1.00 23.41 C ATOM 1931 O VAL A 127 8.170 0.820 5.483 1.00 74.53 O ATOM 1932 CB VAL A 127 5.964 1.247 3.188 1.00 1.02 C ATOM 1933 CG1 VAL A 127 7.341 1.200 2.521 1.00 34.42 C ATOM 1934 CG2 VAL A 127 5.257 -0.105 3.082 1.00 43.21 C ATOM 0 H VAL A 127 7.613 3.134 4.843 1.00 23.40 H new ATOM 0 HA VAL A 127 5.080 1.719 5.122 1.00 4.03 H new ATOM 0 HB VAL A 127 5.363 1.984 2.656 1.00 1.02 H new ATOM 0 HG11 VAL A 127 7.233 0.878 1.485 1.00 34.42 H new ATOM 0 HG12 VAL A 127 7.792 2.192 2.547 1.00 34.42 H new ATOM 0 HG13 VAL A 127 7.980 0.497 3.055 1.00 34.42 H new ATOM 0 HG21 VAL A 127 5.194 -0.402 2.035 1.00 43.21 H new ATOM 0 HG22 VAL A 127 5.820 -0.855 3.638 1.00 43.21 H new ATOM 0 HG23 VAL A 127 4.252 -0.024 3.497 1.00 43.21 H new ATOM 1944 N GLU A 128 6.299 -0.299 6.059 1.00 24.01 N ATOM 1945 CA GLU A 128 6.995 -1.390 6.769 1.00 2.11 C ATOM 1946 C GLU A 128 6.137 -2.665 6.791 1.00 64.12 C ATOM 1947 O GLU A 128 4.921 -2.599 6.610 1.00 24.25 O ATOM 1948 CB GLU A 128 7.332 -0.974 8.213 1.00 22.21 C ATOM 1949 CG GLU A 128 6.133 -0.459 9.006 1.00 33.24 C ATOM 1950 CD GLU A 128 6.457 -0.180 10.470 1.00 20.25 C ATOM 1951 OE1 GLU A 128 7.187 0.798 10.751 1.00 10.41 O ATOM 1952 OE2 GLU A 128 5.978 -0.927 11.349 1.00 22.13 O ATOM 0 H GLU A 128 5.282 -0.376 6.081 1.00 24.01 H new ATOM 0 HA GLU A 128 7.921 -1.595 6.231 1.00 2.11 H new ATOM 0 HB2 GLU A 128 7.761 -1.829 8.736 1.00 22.21 H new ATOM 0 HB3 GLU A 128 8.098 -0.199 8.188 1.00 22.21 H new ATOM 0 HG2 GLU A 128 5.764 0.455 8.541 1.00 33.24 H new ATOM 0 HG3 GLU A 128 5.328 -1.192 8.952 1.00 33.24 H new ATOM 1959 N LYS A 129 6.757 -3.829 7.011 1.00 22.41 N ATOM 1960 CA LYS A 129 5.990 -5.080 7.123 1.00 21.24 C ATOM 1961 C LYS A 129 5.436 -5.271 8.540 1.00 11.03 C ATOM 1962 O LYS A 129 6.085 -4.933 9.527 1.00 3.30 O ATOM 1963 CB LYS A 129 6.816 -6.314 6.721 1.00 21.31 C ATOM 1964 CG LYS A 129 6.082 -7.630 7.017 1.00 2.41 C ATOM 1965 CD LYS A 129 6.537 -8.795 6.143 1.00 4.15 C ATOM 1966 CE LYS A 129 8.000 -9.162 6.348 1.00 24.10 C ATOM 1967 NZ LYS A 129 8.343 -10.416 5.625 1.00 22.11 N ATOM 0 H LYS A 129 7.766 -3.934 7.114 1.00 22.41 H new ATOM 0 HA LYS A 129 5.159 -4.989 6.423 1.00 21.24 H new ATOM 0 HB2 LYS A 129 7.048 -6.262 5.657 1.00 21.31 H new ATOM 0 HB3 LYS A 129 7.766 -6.302 7.256 1.00 21.31 H new ATOM 0 HG2 LYS A 129 6.233 -7.892 8.064 1.00 2.41 H new ATOM 0 HG3 LYS A 129 5.012 -7.478 6.877 1.00 2.41 H new ATOM 0 HD2 LYS A 129 5.917 -9.666 6.357 1.00 4.15 H new ATOM 0 HD3 LYS A 129 6.376 -8.540 5.096 1.00 4.15 H new ATOM 0 HE2 LYS A 129 8.635 -8.349 5.995 1.00 24.10 H new ATOM 0 HE3 LYS A 129 8.202 -9.285 7.412 1.00 24.10 H new ATOM 0 HZ1 LYS A 129 9.255 -10.298 5.139 1.00 22.11 H new ATOM 0 HZ2 LYS A 129 8.411 -11.201 6.304 1.00 22.11 H new ATOM 0 HZ3 LYS A 129 7.603 -10.627 4.925 1.00 22.11 H new ATOM 1981 N THR A 130 4.238 -5.838 8.622 1.00 24.14 N ATOM 1982 CA THR A 130 3.551 -6.037 9.905 1.00 52.52 C ATOM 1983 C THR A 130 2.641 -7.270 9.874 1.00 1.12 C ATOM 1984 O THR A 130 2.284 -7.764 8.805 1.00 4.11 O ATOM 1985 CB THR A 130 2.704 -4.802 10.289 1.00 12.31 C ATOM 1986 OG1 THR A 130 1.934 -5.073 11.474 1.00 31.42 O ATOM 1987 CG2 THR A 130 1.773 -4.403 9.147 1.00 15.13 C ATOM 0 H THR A 130 3.715 -6.172 7.813 1.00 24.14 H new ATOM 0 HA THR A 130 4.331 -6.187 10.652 1.00 52.52 H new ATOM 0 HB THR A 130 3.385 -3.974 10.486 1.00 12.31 H new ATOM 0 HG1 THR A 130 1.663 -4.227 11.888 1.00 31.42 H new ATOM 0 HG21 THR A 130 1.188 -3.532 9.442 1.00 15.13 H new ATOM 0 HG22 THR A 130 2.364 -4.161 8.264 1.00 15.13 H new ATOM 0 HG23 THR A 130 1.101 -5.231 8.919 1.00 15.13 H new ATOM 1995 N ASP A 131 2.269 -7.760 11.053 1.00 43.45 N ATOM 1996 CA ASP A 131 1.374 -8.916 11.167 1.00 0.54 C ATOM 1997 C ASP A 131 -0.091 -8.520 10.886 1.00 52.03 C ATOM 1998 O ASP A 131 -0.968 -9.381 10.775 1.00 31.30 O ATOM 1999 CB ASP A 131 1.514 -9.539 12.563 1.00 12.34 C ATOM 2000 CG ASP A 131 0.708 -10.817 12.712 1.00 44.21 C ATOM 2001 OD1 ASP A 131 1.085 -11.837 12.092 1.00 73.33 O ATOM 2002 OD2 ASP A 131 -0.306 -10.805 13.439 1.00 73.54 O ATOM 0 H ASP A 131 2.573 -7.376 11.948 1.00 43.45 H new ATOM 0 HA ASP A 131 1.660 -9.654 10.417 1.00 0.54 H new ATOM 0 HB2 ASP A 131 2.565 -9.751 12.759 1.00 12.34 H new ATOM 0 HB3 ASP A 131 1.189 -8.818 13.313 1.00 12.34 H new ATOM 2007 N GLU A 132 -0.337 -7.213 10.757 1.00 1.14 N ATOM 2008 CA GLU A 132 -1.674 -6.684 10.437 1.00 71.42 C ATOM 2009 C GLU A 132 -2.308 -7.381 9.222 1.00 22.14 C ATOM 2010 O GLU A 132 -1.611 -7.867 8.330 1.00 43.23 O ATOM 2011 CB GLU A 132 -1.583 -5.180 10.155 1.00 34.21 C ATOM 2012 CG GLU A 132 -1.197 -4.338 11.366 1.00 54.14 C ATOM 2013 CD GLU A 132 -2.371 -4.022 12.280 1.00 30.04 C ATOM 2014 OE1 GLU A 132 -2.662 -4.825 13.195 1.00 2.24 O ATOM 2015 OE2 GLU A 132 -2.999 -2.959 12.094 1.00 40.13 O ATOM 0 H GLU A 132 0.377 -6.493 10.870 1.00 1.14 H new ATOM 0 HA GLU A 132 -2.308 -6.877 11.302 1.00 71.42 H new ATOM 0 HB2 GLU A 132 -0.852 -5.014 9.364 1.00 34.21 H new ATOM 0 HB3 GLU A 132 -2.545 -4.834 9.778 1.00 34.21 H new ATOM 0 HG2 GLU A 132 -0.433 -4.865 11.937 1.00 54.14 H new ATOM 0 HG3 GLU A 132 -0.751 -3.404 11.023 1.00 54.14 H new ATOM 2022 N LYS A 133 -3.633 -7.403 9.195 1.00 72.54 N ATOM 2023 CA LYS A 133 -4.378 -8.022 8.091 1.00 33.54 C ATOM 2024 C LYS A 133 -4.614 -7.029 6.940 1.00 53.10 C ATOM 2025 O LYS A 133 -4.760 -5.826 7.164 1.00 72.11 O ATOM 2026 CB LYS A 133 -5.720 -8.611 8.599 1.00 35.32 C ATOM 2027 CG LYS A 133 -6.586 -7.665 9.451 1.00 53.12 C ATOM 2028 CD LYS A 133 -7.267 -6.567 8.628 1.00 0.21 C ATOM 2029 CE LYS A 133 -8.043 -5.584 9.502 1.00 11.51 C ATOM 2030 NZ LYS A 133 -9.244 -6.198 10.135 1.00 1.00 N ATOM 0 H LYS A 133 -4.222 -7.000 9.924 1.00 72.54 H new ATOM 0 HA LYS A 133 -3.771 -8.838 7.698 1.00 33.54 H new ATOM 0 HB2 LYS A 133 -6.305 -8.930 7.736 1.00 35.32 H new ATOM 0 HB3 LYS A 133 -5.504 -9.504 9.186 1.00 35.32 H new ATOM 0 HG2 LYS A 133 -7.348 -8.248 9.969 1.00 53.12 H new ATOM 0 HG3 LYS A 133 -5.963 -7.203 10.217 1.00 53.12 H new ATOM 0 HD2 LYS A 133 -6.514 -6.025 8.056 1.00 0.21 H new ATOM 0 HD3 LYS A 133 -7.946 -7.024 7.908 1.00 0.21 H new ATOM 0 HE2 LYS A 133 -7.384 -5.199 10.281 1.00 11.51 H new ATOM 0 HE3 LYS A 133 -8.353 -4.732 8.896 1.00 11.51 H new ATOM 0 HZ1 LYS A 133 -9.504 -5.657 10.984 1.00 1.00 H new ATOM 0 HZ2 LYS A 133 -10.036 -6.186 9.461 1.00 1.00 H new ATOM 0 HZ3 LYS A 133 -9.032 -7.180 10.402 1.00 1.00 H new ATOM 2044 N VAL A 134 -4.627 -7.531 5.706 1.00 2.22 N ATOM 2045 CA VAL A 134 -5.001 -6.708 4.554 1.00 15.05 C ATOM 2046 C VAL A 134 -6.489 -6.359 4.603 1.00 12.30 C ATOM 2047 O VAL A 134 -7.337 -7.232 4.818 1.00 11.23 O ATOM 2048 CB VAL A 134 -4.692 -7.413 3.209 1.00 22.11 C ATOM 2049 CG1 VAL A 134 -5.231 -6.601 2.026 1.00 12.52 C ATOM 2050 CG2 VAL A 134 -3.196 -7.648 3.059 1.00 61.24 C ATOM 0 H VAL A 134 -4.385 -8.495 5.478 1.00 2.22 H new ATOM 0 HA VAL A 134 -4.403 -5.798 4.611 1.00 15.05 H new ATOM 0 HB VAL A 134 -5.195 -8.380 3.212 1.00 22.11 H new ATOM 0 HG11 VAL A 134 -5.001 -7.118 1.095 1.00 12.52 H new ATOM 0 HG12 VAL A 134 -6.311 -6.491 2.122 1.00 12.52 H new ATOM 0 HG13 VAL A 134 -4.765 -5.616 2.019 1.00 12.52 H new ATOM 0 HG21 VAL A 134 -2.999 -8.144 2.109 1.00 61.24 H new ATOM 0 HG22 VAL A 134 -2.673 -6.692 3.085 1.00 61.24 H new ATOM 0 HG23 VAL A 134 -2.843 -8.277 3.876 1.00 61.24 H new ATOM 2060 N LEU A 135 -6.806 -5.086 4.406 1.00 41.32 N ATOM 2061 CA LEU A 135 -8.201 -4.642 4.392 1.00 52.43 C ATOM 2062 C LEU A 135 -8.954 -5.211 3.186 1.00 42.12 C ATOM 2063 O LEU A 135 -8.370 -5.448 2.135 1.00 4.14 O ATOM 2064 CB LEU A 135 -8.281 -3.105 4.383 1.00 51.12 C ATOM 2065 CG LEU A 135 -8.170 -2.435 5.763 1.00 42.15 C ATOM 2066 CD1 LEU A 135 -8.196 -0.915 5.635 1.00 2.11 C ATOM 2067 CD2 LEU A 135 -9.298 -2.915 6.676 1.00 2.25 C ATOM 0 H LEU A 135 -6.123 -4.344 4.254 1.00 41.32 H new ATOM 0 HA LEU A 135 -8.675 -5.017 5.299 1.00 52.43 H new ATOM 0 HB2 LEU A 135 -7.486 -2.720 3.745 1.00 51.12 H new ATOM 0 HB3 LEU A 135 -9.226 -2.809 3.928 1.00 51.12 H new ATOM 0 HG LEU A 135 -7.216 -2.720 6.206 1.00 42.15 H new ATOM 0 HD11 LEU A 135 -8.116 -0.465 6.625 1.00 2.11 H new ATOM 0 HD12 LEU A 135 -7.359 -0.587 5.019 1.00 2.11 H new ATOM 0 HD13 LEU A 135 -9.132 -0.605 5.170 1.00 2.11 H new ATOM 0 HD21 LEU A 135 -9.208 -2.433 7.650 1.00 2.25 H new ATOM 0 HD22 LEU A 135 -10.260 -2.658 6.232 1.00 2.25 H new ATOM 0 HD23 LEU A 135 -9.232 -3.996 6.799 1.00 2.25 H new ATOM 2079 N SER A 136 -10.240 -5.471 3.372 1.00 5.04 N ATOM 2080 CA SER A 136 -11.129 -5.798 2.252 1.00 65.50 C ATOM 2081 C SER A 136 -11.749 -4.513 1.710 1.00 13.43 C ATOM 2082 O SER A 136 -11.919 -3.553 2.456 1.00 62.02 O ATOM 2083 CB SER A 136 -12.233 -6.768 2.692 1.00 14.22 C ATOM 2084 OG SER A 136 -13.092 -7.098 1.613 1.00 65.43 O ATOM 0 H SER A 136 -10.696 -5.463 4.284 1.00 5.04 H new ATOM 0 HA SER A 136 -10.545 -6.284 1.471 1.00 65.50 H new ATOM 0 HB2 SER A 136 -11.783 -7.677 3.092 1.00 14.22 H new ATOM 0 HB3 SER A 136 -12.814 -6.319 3.498 1.00 14.22 H new ATOM 0 HG SER A 136 -13.784 -7.719 1.924 1.00 65.43 H new ATOM 2090 N VAL A 137 -12.082 -4.486 0.426 1.00 62.30 N ATOM 2091 CA VAL A 137 -12.632 -3.276 -0.199 1.00 63.34 C ATOM 2092 C VAL A 137 -13.783 -2.680 0.637 1.00 73.50 C ATOM 2093 O VAL A 137 -13.817 -1.477 0.904 1.00 23.24 O ATOM 2094 CB VAL A 137 -13.128 -3.562 -1.640 1.00 10.41 C ATOM 2095 CG1 VAL A 137 -13.716 -2.305 -2.284 1.00 72.24 C ATOM 2096 CG2 VAL A 137 -11.997 -4.133 -2.497 1.00 54.23 C ATOM 0 H VAL A 137 -11.984 -5.281 -0.206 1.00 62.30 H new ATOM 0 HA VAL A 137 -11.822 -2.548 -0.244 1.00 63.34 H new ATOM 0 HB VAL A 137 -13.922 -4.306 -1.579 1.00 10.41 H new ATOM 0 HG11 VAL A 137 -14.055 -2.538 -3.293 1.00 72.24 H new ATOM 0 HG12 VAL A 137 -14.559 -1.953 -1.690 1.00 72.24 H new ATOM 0 HG13 VAL A 137 -12.953 -1.528 -2.328 1.00 72.24 H new ATOM 0 HG21 VAL A 137 -12.366 -4.327 -3.504 1.00 54.23 H new ATOM 0 HG22 VAL A 137 -11.177 -3.416 -2.542 1.00 54.23 H new ATOM 0 HG23 VAL A 137 -11.641 -5.064 -2.056 1.00 54.23 H new ATOM 2106 N LYS A 138 -14.712 -3.536 1.056 1.00 13.42 N ATOM 2107 CA LYS A 138 -15.840 -3.119 1.897 1.00 3.31 C ATOM 2108 C LYS A 138 -15.399 -2.810 3.343 1.00 54.42 C ATOM 2109 O LYS A 138 -15.858 -1.842 3.947 1.00 51.11 O ATOM 2110 CB LYS A 138 -16.924 -4.202 1.897 1.00 71.55 C ATOM 2111 CG LYS A 138 -18.210 -3.783 2.602 1.00 53.32 C ATOM 2112 CD LYS A 138 -19.217 -4.926 2.668 1.00 23.12 C ATOM 2113 CE LYS A 138 -18.675 -6.106 3.463 1.00 25.23 C ATOM 2114 NZ LYS A 138 -19.658 -7.217 3.559 1.00 74.23 N ATOM 0 H LYS A 138 -14.708 -4.530 0.827 1.00 13.42 H new ATOM 0 HA LYS A 138 -16.244 -2.199 1.474 1.00 3.31 H new ATOM 0 HB2 LYS A 138 -17.156 -4.471 0.867 1.00 71.55 H new ATOM 0 HB3 LYS A 138 -16.531 -5.097 2.379 1.00 71.55 H new ATOM 0 HG2 LYS A 138 -17.977 -3.445 3.612 1.00 53.32 H new ATOM 0 HG3 LYS A 138 -18.654 -2.937 2.077 1.00 53.32 H new ATOM 0 HD2 LYS A 138 -20.141 -4.572 3.126 1.00 23.12 H new ATOM 0 HD3 LYS A 138 -19.466 -5.251 1.658 1.00 23.12 H new ATOM 0 HE2 LYS A 138 -17.762 -6.471 2.992 1.00 25.23 H new ATOM 0 HE3 LYS A 138 -18.406 -5.774 4.466 1.00 25.23 H new ATOM 0 HZ1 LYS A 138 -19.246 -7.998 4.108 1.00 74.23 H new ATOM 0 HZ2 LYS A 138 -20.520 -6.878 4.032 1.00 74.23 H new ATOM 0 HZ3 LYS A 138 -19.896 -7.553 2.604 1.00 74.23 H new ATOM 2128 N GLU A 139 -14.496 -3.629 3.889 1.00 11.15 N ATOM 2129 CA GLU A 139 -13.986 -3.432 5.253 1.00 51.24 C ATOM 2130 C GLU A 139 -13.293 -2.068 5.369 1.00 5.10 C ATOM 2131 O GLU A 139 -13.340 -1.400 6.405 1.00 73.02 O ATOM 2132 CB GLU A 139 -13.014 -4.572 5.591 1.00 44.43 C ATOM 2133 CG GLU A 139 -12.367 -4.479 6.968 1.00 11.42 C ATOM 2134 CD GLU A 139 -11.465 -5.670 7.268 1.00 54.23 C ATOM 2135 OE1 GLU A 139 -10.698 -6.084 6.370 1.00 71.11 O ATOM 2136 OE2 GLU A 139 -11.525 -6.214 8.394 1.00 63.52 O ATOM 0 H GLU A 139 -14.101 -4.437 3.408 1.00 11.15 H new ATOM 0 HA GLU A 139 -14.813 -3.446 5.963 1.00 51.24 H new ATOM 0 HB2 GLU A 139 -13.549 -5.519 5.521 1.00 44.43 H new ATOM 0 HB3 GLU A 139 -12.227 -4.594 4.837 1.00 44.43 H new ATOM 0 HG2 GLU A 139 -11.784 -3.560 7.031 1.00 11.42 H new ATOM 0 HG3 GLU A 139 -13.145 -4.416 7.729 1.00 11.42 H new ATOM 2143 N LEU A 140 -12.666 -1.667 4.276 1.00 4.10 N ATOM 2144 CA LEU A 140 -12.058 -0.355 4.141 1.00 71.32 C ATOM 2145 C LEU A 140 -13.139 0.743 4.170 1.00 51.51 C ATOM 2146 O LEU A 140 -12.954 1.801 4.776 1.00 64.02 O ATOM 2147 CB LEU A 140 -11.270 -0.328 2.827 1.00 61.42 C ATOM 2148 CG LEU A 140 -10.071 0.617 2.802 1.00 43.30 C ATOM 2149 CD1 LEU A 140 -9.076 0.176 1.740 1.00 33.42 C ATOM 2150 CD2 LEU A 140 -10.510 2.057 2.561 1.00 43.21 C ATOM 0 H LEU A 140 -12.564 -2.252 3.447 1.00 4.10 H new ATOM 0 HA LEU A 140 -11.382 -0.162 4.974 1.00 71.32 H new ATOM 0 HB2 LEU A 140 -10.920 -1.338 2.612 1.00 61.42 H new ATOM 0 HB3 LEU A 140 -11.949 -0.048 2.022 1.00 61.42 H new ATOM 0 HG LEU A 140 -9.585 0.576 3.777 1.00 43.30 H new ATOM 0 HD11 LEU A 140 -8.226 0.858 1.732 1.00 33.42 H new ATOM 0 HD12 LEU A 140 -8.730 -0.833 1.963 1.00 33.42 H new ATOM 0 HD13 LEU A 140 -9.558 0.187 0.763 1.00 33.42 H new ATOM 0 HD21 LEU A 140 -9.635 2.707 2.548 1.00 43.21 H new ATOM 0 HD22 LEU A 140 -11.026 2.125 1.603 1.00 43.21 H new ATOM 0 HD23 LEU A 140 -11.183 2.371 3.359 1.00 43.21 H new ATOM 2162 N LEU A 141 -14.278 0.469 3.523 1.00 64.15 N ATOM 2163 CA LEU A 141 -15.429 1.383 3.553 1.00 54.11 C ATOM 2164 C LEU A 141 -15.915 1.582 4.992 1.00 44.23 C ATOM 2165 O LEU A 141 -16.131 2.708 5.440 1.00 2.14 O ATOM 2166 CB LEU A 141 -16.588 0.840 2.699 1.00 33.11 C ATOM 2167 CG LEU A 141 -16.236 0.466 1.253 1.00 21.10 C ATOM 2168 CD1 LEU A 141 -17.469 -0.056 0.516 1.00 45.34 C ATOM 2169 CD2 LEU A 141 -15.615 1.648 0.515 1.00 72.25 C ATOM 0 H LEU A 141 -14.429 -0.377 2.973 1.00 64.15 H new ATOM 0 HA LEU A 141 -15.104 2.338 3.141 1.00 54.11 H new ATOM 0 HB2 LEU A 141 -16.996 -0.042 3.193 1.00 33.11 H new ATOM 0 HB3 LEU A 141 -17.380 1.588 2.678 1.00 33.11 H new ATOM 0 HG LEU A 141 -15.494 -0.332 1.281 1.00 21.10 H new ATOM 0 HD11 LEU A 141 -17.198 -0.316 -0.507 1.00 45.34 H new ATOM 0 HD12 LEU A 141 -17.850 -0.941 1.026 1.00 45.34 H new ATOM 0 HD13 LEU A 141 -18.239 0.715 0.503 1.00 45.34 H new ATOM 0 HD21 LEU A 141 -15.376 1.354 -0.507 1.00 72.25 H new ATOM 0 HD22 LEU A 141 -16.321 2.478 0.498 1.00 72.25 H new ATOM 0 HD23 LEU A 141 -14.704 1.958 1.026 1.00 72.25 H new ATOM 2181 N GLU A 142 -16.073 0.472 5.711 1.00 13.42 N ATOM 2182 CA GLU A 142 -16.500 0.501 7.114 1.00 24.13 C ATOM 2183 C GLU A 142 -15.532 1.338 7.968 1.00 50.23 C ATOM 2184 O GLU A 142 -15.944 2.028 8.901 1.00 1.20 O ATOM 2185 CB GLU A 142 -16.591 -0.931 7.666 1.00 72.42 C ATOM 2186 CG GLU A 142 -17.486 -1.854 6.838 1.00 20.25 C ATOM 2187 CD GLU A 142 -17.584 -3.265 7.406 1.00 15.14 C ATOM 2188 OE1 GLU A 142 -16.582 -4.005 7.349 1.00 50.32 O ATOM 2189 OE2 GLU A 142 -18.669 -3.644 7.901 1.00 0.14 O ATOM 0 H GLU A 142 -15.911 -0.466 5.344 1.00 13.42 H new ATOM 0 HA GLU A 142 -17.484 0.966 7.162 1.00 24.13 H new ATOM 0 HB2 GLU A 142 -15.589 -1.357 7.712 1.00 72.42 H new ATOM 0 HB3 GLU A 142 -16.969 -0.894 8.688 1.00 72.42 H new ATOM 0 HG2 GLU A 142 -18.485 -1.423 6.779 1.00 20.25 H new ATOM 0 HG3 GLU A 142 -17.100 -1.905 5.820 1.00 20.25 H new ATOM 2196 N ALA A 143 -14.245 1.282 7.630 1.00 71.02 N ATOM 2197 CA ALA A 143 -13.215 2.055 8.336 1.00 14.52 C ATOM 2198 C ALA A 143 -13.340 3.569 8.071 1.00 74.15 C ATOM 2199 O ALA A 143 -13.284 4.378 8.998 1.00 75.23 O ATOM 2200 CB ALA A 143 -11.828 1.559 7.937 1.00 65.24 C ATOM 0 H ALA A 143 -13.886 0.707 6.868 1.00 71.02 H new ATOM 0 HA ALA A 143 -13.363 1.902 9.405 1.00 14.52 H new ATOM 0 HB1 ALA A 143 -11.069 2.137 8.465 1.00 65.24 H new ATOM 0 HB2 ALA A 143 -11.729 0.506 8.199 1.00 65.24 H new ATOM 0 HB3 ALA A 143 -11.694 1.680 6.862 1.00 65.24 H new ATOM 2206 N ILE A 144 -13.507 3.950 6.800 1.00 23.34 N ATOM 2207 CA ILE A 144 -13.628 5.372 6.436 1.00 3.03 C ATOM 2208 C ILE A 144 -15.056 5.909 6.654 1.00 55.31 C ATOM 2209 O ILE A 144 -15.319 7.097 6.474 1.00 63.43 O ATOM 2210 CB ILE A 144 -13.172 5.626 4.971 1.00 24.32 C ATOM 2211 CG1 ILE A 144 -14.027 4.840 3.958 1.00 52.30 C ATOM 2212 CG2 ILE A 144 -11.696 5.267 4.810 1.00 71.40 C ATOM 2213 CD1 ILE A 144 -15.252 5.585 3.464 1.00 24.00 C ATOM 0 H ILE A 144 -13.561 3.305 6.012 1.00 23.34 H new ATOM 0 HA ILE A 144 -12.963 5.919 7.104 1.00 3.03 H new ATOM 0 HB ILE A 144 -13.310 6.687 4.762 1.00 24.32 H new ATOM 0 HG12 ILE A 144 -13.406 4.578 3.102 1.00 52.30 H new ATOM 0 HG13 ILE A 144 -14.346 3.905 4.418 1.00 52.30 H new ATOM 0 HG21 ILE A 144 -11.388 5.449 3.780 1.00 71.40 H new ATOM 0 HG22 ILE A 144 -11.097 5.881 5.482 1.00 71.40 H new ATOM 0 HG23 ILE A 144 -11.549 4.214 5.052 1.00 71.40 H new ATOM 0 HD11 ILE A 144 -15.796 4.961 2.756 1.00 24.00 H new ATOM 0 HD12 ILE A 144 -15.898 5.823 4.309 1.00 24.00 H new ATOM 0 HD13 ILE A 144 -14.943 6.507 2.972 1.00 24.00 H new ATOM 2225 N GLY A 145 -15.974 5.021 7.030 1.00 71.15 N ATOM 2226 CA GLY A 145 -17.329 5.433 7.390 1.00 52.53 C ATOM 2227 C GLY A 145 -18.286 5.545 6.201 1.00 12.32 C ATOM 2228 O GLY A 145 -19.092 6.475 6.133 1.00 10.41 O ATOM 0 H GLY A 145 -15.806 4.017 7.093 1.00 71.15 H new ATOM 0 HA2 GLY A 145 -17.737 4.718 8.104 1.00 52.53 H new ATOM 0 HA3 GLY A 145 -17.281 6.397 7.896 1.00 52.53 H new ATOM 2232 N SER A 146 -18.197 4.604 5.263 1.00 31.44 N ATOM 2233 CA SER A 146 -19.131 4.546 4.122 1.00 53.32 C ATOM 2234 C SER A 146 -20.153 3.423 4.298 1.00 30.13 C ATOM 2235 O SER A 146 -19.813 2.318 4.739 1.00 51.10 O ATOM 2236 CB SER A 146 -18.375 4.343 2.802 1.00 50.40 C ATOM 2237 OG SER A 146 -19.270 4.273 1.700 1.00 23.44 O ATOM 0 H SER A 146 -17.491 3.868 5.264 1.00 31.44 H new ATOM 0 HA SER A 146 -19.658 5.500 4.089 1.00 53.32 H new ATOM 0 HB2 SER A 146 -17.674 5.164 2.652 1.00 50.40 H new ATOM 0 HB3 SER A 146 -17.787 3.427 2.854 1.00 50.40 H new ATOM 0 HG SER A 146 -18.761 4.145 0.873 1.00 23.44 H new TER 2243 SER A 146