USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 551 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 52 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 33 LYS NZ :NH3+ 153:sc= -0.486 (180deg=-0.82) USER MOD Set 2.2: A 36 ASN : amide:sc= -3.5 K(o=-4,f=-5.3) USER MOD Set 3.1: A 21 LYS NZ :NH3+ 149:sc= -0.206 (180deg=0) USER MOD Set 3.2: A 65 GLN : amide:sc= -3.14 K(o=-3.3,f=-5.7!) USER MOD Set 3.3: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.206 (180deg=-0.226) USER MOD Single : A 2 HIS : no HD1:sc= -0.664 K(o=-0.66,f=-0.1) USER MOD Single : A 3 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.25) USER MOD Single : A 4 HIS : no HD1:sc= -0.536 K(o=-0.54,f=-2.2) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 11 GLN : amide:sc= -3.09! K(o=-3.1!,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0.036) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 150:sc= 1.17 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 150:sc= -0.861 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -11! C(o=-11!,f=-11!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 46 THR OG1 : rot -179:sc= -1.88 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.71! K(o=-2.7!,f=-0.32) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.172 -5.487 -26.007 1.00 20.34 N ATOM 2 CA MET A 1 -0.811 -6.315 -24.861 1.00 55.13 C ATOM 3 C MET A 1 0.301 -5.662 -24.047 1.00 14.41 C ATOM 4 O MET A 1 1.263 -6.320 -23.652 1.00 24.11 O ATOM 5 CB MET A 1 -0.370 -7.704 -25.327 1.00 41.43 C ATOM 6 CG MET A 1 -1.428 -8.439 -26.134 1.00 1.21 C ATOM 7 SD MET A 1 -0.958 -8.656 -27.861 1.00 52.32 S ATOM 8 CE MET A 1 -1.736 -10.227 -28.229 1.00 4.12 C ATOM 0 H1 MET A 1 -2.007 -5.890 -26.477 1.00 20.34 H new ATOM 0 H2 MET A 1 -1.389 -4.522 -25.684 1.00 20.34 H new ATOM 0 H3 MET A 1 -0.378 -5.457 -26.678 1.00 20.34 H new ATOM 0 HA MET A 1 -1.691 -6.415 -24.226 1.00 55.13 H new ATOM 0 HB2 MET A 1 0.532 -7.606 -25.930 1.00 41.43 H new ATOM 0 HB3 MET A 1 -0.107 -8.304 -24.456 1.00 41.43 H new ATOM 0 HG2 MET A 1 -1.608 -9.416 -25.685 1.00 1.21 H new ATOM 0 HG3 MET A 1 -2.366 -7.887 -26.084 1.00 1.21 H new ATOM 0 HE1 MET A 1 -1.535 -10.498 -29.265 1.00 4.12 H new ATOM 0 HE2 MET A 1 -1.335 -10.995 -27.568 1.00 4.12 H new ATOM 0 HE3 MET A 1 -2.812 -10.144 -28.078 1.00 4.12 H new ATOM 18 N HIS A 2 0.162 -4.363 -23.799 1.00 41.14 N ATOM 19 CA HIS A 2 1.156 -3.621 -23.031 1.00 53.25 C ATOM 20 C HIS A 2 0.545 -2.359 -22.428 1.00 60.35 C ATOM 21 O HIS A 2 -0.657 -2.121 -22.548 1.00 32.12 O ATOM 22 CB HIS A 2 2.345 -3.252 -23.918 1.00 42.14 C ATOM 23 CG HIS A 2 1.958 -2.514 -25.163 1.00 3.53 C ATOM 24 ND1 HIS A 2 2.326 -2.924 -26.427 1.00 21.34 N ATOM 25 CD2 HIS A 2 1.230 -1.385 -25.332 1.00 60.34 C ATOM 26 CE1 HIS A 2 1.842 -2.080 -27.320 1.00 2.32 C ATOM 27 NE2 HIS A 2 1.173 -1.137 -26.682 1.00 14.23 N ATOM 0 H HIS A 2 -0.628 -3.803 -24.118 1.00 41.14 H new ATOM 0 HA HIS A 2 1.503 -4.260 -22.219 1.00 53.25 H new ATOM 0 HB2 HIS A 2 3.040 -2.639 -23.344 1.00 42.14 H new ATOM 0 HB3 HIS A 2 2.877 -4.162 -24.196 1.00 42.14 H new ATOM 0 HD2 HIS A 2 0.779 -0.791 -24.551 1.00 60.34 H new ATOM 0 HE1 HIS A 2 1.971 -2.149 -28.390 1.00 2.32 H new ATOM 0 HE2 HIS A 2 0.692 -0.352 -27.121 1.00 14.23 H new ATOM 35 N HIS A 3 1.381 -1.555 -21.780 1.00 0.31 N ATOM 36 CA HIS A 3 0.923 -0.317 -21.158 1.00 21.41 C ATOM 37 C HIS A 3 2.106 0.554 -20.746 1.00 30.21 C ATOM 38 O HIS A 3 2.840 0.222 -19.815 1.00 22.43 O ATOM 39 CB HIS A 3 0.053 -0.626 -19.939 1.00 22.10 C ATOM 40 CG HIS A 3 0.647 -1.652 -19.024 1.00 1.14 C ATOM 41 ND1 HIS A 3 1.270 -1.330 -17.836 1.00 33.41 N ATOM 42 CD2 HIS A 3 0.710 -3.000 -19.126 1.00 75.14 C ATOM 43 CE1 HIS A 3 1.691 -2.436 -17.249 1.00 32.33 C ATOM 44 NE2 HIS A 3 1.363 -3.464 -18.011 1.00 50.22 N ATOM 0 H HIS A 3 2.379 -1.738 -21.672 1.00 0.31 H new ATOM 0 HA HIS A 3 0.329 0.231 -21.890 1.00 21.41 H new ATOM 0 HB2 HIS A 3 -0.114 0.294 -19.380 1.00 22.10 H new ATOM 0 HB3 HIS A 3 -0.922 -0.975 -20.278 1.00 22.10 H new ATOM 0 HD2 HIS A 3 0.319 -3.600 -19.935 1.00 75.14 H new ATOM 0 HE1 HIS A 3 2.215 -2.491 -16.306 1.00 32.33 H new ATOM 0 HE2 HIS A 3 1.562 -4.443 -17.805 1.00 50.22 H new ATOM 52 N HIS A 4 2.285 1.670 -21.446 1.00 22.51 N ATOM 53 CA HIS A 4 3.379 2.588 -21.153 1.00 4.53 C ATOM 54 C HIS A 4 3.107 3.966 -21.750 1.00 60.31 C ATOM 55 O HIS A 4 3.939 4.516 -22.473 1.00 32.14 O ATOM 56 CB HIS A 4 4.697 2.036 -21.696 1.00 62.52 C ATOM 57 CG HIS A 4 4.601 1.532 -23.103 1.00 75.33 C ATOM 58 ND1 HIS A 4 3.957 2.224 -24.108 1.00 24.51 N ATOM 59 CD2 HIS A 4 5.072 0.397 -23.672 1.00 14.22 C ATOM 60 CE1 HIS A 4 4.036 1.536 -25.233 1.00 33.30 C ATOM 61 NE2 HIS A 4 4.707 0.423 -24.996 1.00 3.45 N ATOM 0 H HIS A 4 1.687 1.960 -22.220 1.00 22.51 H new ATOM 0 HA HIS A 4 3.455 2.688 -20.070 1.00 4.53 H new ATOM 0 HB2 HIS A 4 5.455 2.818 -21.650 1.00 62.52 H new ATOM 0 HB3 HIS A 4 5.035 1.225 -21.051 1.00 62.52 H new ATOM 0 HD2 HIS A 4 5.631 -0.383 -23.177 1.00 14.22 H new ATOM 0 HE1 HIS A 4 3.622 1.833 -26.185 1.00 33.30 H new ATOM 0 HE2 HIS A 4 4.919 -0.299 -25.684 1.00 3.45 H new ATOM 69 N HIS A 5 1.937 4.517 -21.444 1.00 51.23 N ATOM 70 CA HIS A 5 1.555 5.830 -21.951 1.00 51.54 C ATOM 71 C HIS A 5 1.647 6.885 -20.853 1.00 31.15 C ATOM 72 O HIS A 5 0.807 7.781 -20.766 1.00 14.01 O ATOM 73 CB HIS A 5 0.135 5.789 -22.517 1.00 31.12 C ATOM 74 CG HIS A 5 0.035 5.081 -23.833 1.00 32.22 C ATOM 75 ND1 HIS A 5 0.640 5.541 -24.983 1.00 62.00 N ATOM 76 CD2 HIS A 5 -0.604 3.938 -24.177 1.00 11.21 C ATOM 77 CE1 HIS A 5 0.377 4.713 -25.978 1.00 54.12 C ATOM 78 NE2 HIS A 5 -0.376 3.732 -25.515 1.00 75.43 N ATOM 0 H HIS A 5 1.237 4.075 -20.848 1.00 51.23 H new ATOM 0 HA HIS A 5 2.248 6.099 -22.748 1.00 51.54 H new ATOM 0 HB2 HIS A 5 -0.520 5.296 -21.798 1.00 31.12 H new ATOM 0 HB3 HIS A 5 -0.230 6.809 -22.634 1.00 31.12 H new ATOM 0 HD2 HIS A 5 -1.185 3.306 -23.521 1.00 11.21 H new ATOM 0 HE1 HIS A 5 0.719 4.820 -26.997 1.00 54.12 H new ATOM 0 HE2 HIS A 5 -0.731 2.948 -26.063 1.00 75.43 H new ATOM 86 N HIS A 6 2.672 6.771 -20.014 1.00 44.44 N ATOM 87 CA HIS A 6 2.874 7.715 -18.921 1.00 11.14 C ATOM 88 C HIS A 6 1.704 7.670 -17.942 1.00 41.51 C ATOM 89 O HIS A 6 0.646 7.120 -18.248 1.00 61.42 O ATOM 90 CB HIS A 6 3.043 9.133 -19.467 1.00 1.00 C ATOM 91 CG HIS A 6 4.053 9.234 -20.568 1.00 43.01 C ATOM 92 ND1 HIS A 6 5.242 8.535 -20.565 1.00 51.04 N ATOM 93 CD2 HIS A 6 4.046 9.957 -21.713 1.00 22.25 C ATOM 94 CE1 HIS A 6 5.923 8.825 -21.660 1.00 30.24 C ATOM 95 NE2 HIS A 6 5.219 9.685 -22.373 1.00 41.10 N ATOM 0 H HIS A 6 3.375 6.034 -20.070 1.00 44.44 H new ATOM 0 HA HIS A 6 3.782 7.429 -18.390 1.00 11.14 H new ATOM 0 HB2 HIS A 6 2.081 9.489 -19.834 1.00 1.00 H new ATOM 0 HB3 HIS A 6 3.338 9.794 -18.652 1.00 1.00 H new ATOM 0 HD2 HIS A 6 3.264 10.623 -22.045 1.00 22.25 H new ATOM 0 HE1 HIS A 6 6.891 8.426 -21.926 1.00 30.24 H new ATOM 0 HE2 HIS A 6 5.501 10.083 -23.269 1.00 41.10 H new ATOM 103 N HIS A 7 1.902 8.253 -16.764 1.00 12.22 N ATOM 104 CA HIS A 7 0.863 8.280 -15.740 1.00 60.42 C ATOM 105 C HIS A 7 0.494 9.715 -15.378 1.00 75.10 C ATOM 106 O HIS A 7 -0.683 10.045 -15.233 1.00 71.55 O ATOM 107 CB HIS A 7 1.329 7.530 -14.492 1.00 13.04 C ATOM 108 CG HIS A 7 1.953 6.202 -14.789 1.00 24.44 C ATOM 109 ND1 HIS A 7 3.243 5.878 -14.423 1.00 33.54 N ATOM 110 CD2 HIS A 7 1.458 5.111 -15.419 1.00 54.42 C ATOM 111 CE1 HIS A 7 3.514 4.646 -14.817 1.00 14.12 C ATOM 112 NE2 HIS A 7 2.447 4.159 -15.424 1.00 34.32 N ATOM 0 H HIS A 7 2.772 8.713 -16.495 1.00 12.22 H new ATOM 0 HA HIS A 7 -0.022 7.787 -16.142 1.00 60.42 H new ATOM 0 HB2 HIS A 7 2.048 8.148 -13.954 1.00 13.04 H new ATOM 0 HB3 HIS A 7 0.477 7.382 -13.828 1.00 13.04 H new ATOM 0 HD2 HIS A 7 0.469 5.009 -15.840 1.00 54.42 H new ATOM 0 HE1 HIS A 7 4.449 4.126 -14.668 1.00 14.12 H new ATOM 0 HE2 HIS A 7 2.370 3.227 -15.831 1.00 34.32 H new ATOM 120 N GLU A 8 1.507 10.563 -15.232 1.00 52.15 N ATOM 121 CA GLU A 8 1.287 11.962 -14.886 1.00 1.34 C ATOM 122 C GLU A 8 0.669 12.088 -13.496 1.00 22.31 C ATOM 123 O GLU A 8 0.019 11.164 -13.008 1.00 34.43 O ATOM 124 CB GLU A 8 0.381 12.631 -15.921 1.00 14.20 C ATOM 125 CG GLU A 8 1.057 13.756 -16.686 1.00 1.31 C ATOM 126 CD GLU A 8 1.896 13.252 -17.844 1.00 42.31 C ATOM 127 OE1 GLU A 8 2.841 12.474 -17.598 1.00 42.03 O ATOM 128 OE2 GLU A 8 1.607 13.636 -18.997 1.00 11.43 O ATOM 0 H GLU A 8 2.487 10.306 -15.348 1.00 52.15 H new ATOM 0 HA GLU A 8 2.254 12.465 -14.882 1.00 1.34 H new ATOM 0 HB2 GLU A 8 0.035 11.878 -16.629 1.00 14.20 H new ATOM 0 HB3 GLU A 8 -0.502 13.025 -15.418 1.00 14.20 H new ATOM 0 HG2 GLU A 8 0.298 14.441 -17.063 1.00 1.31 H new ATOM 0 HG3 GLU A 8 1.689 14.325 -16.005 1.00 1.31 H new ATOM 135 N VAL A 9 0.878 13.238 -12.863 1.00 64.03 N ATOM 136 CA VAL A 9 0.342 13.486 -11.530 1.00 63.23 C ATOM 137 C VAL A 9 0.692 12.349 -10.577 1.00 63.30 C ATOM 138 O VAL A 9 -0.145 11.515 -10.232 1.00 71.42 O ATOM 139 CB VAL A 9 -1.188 13.660 -11.564 1.00 43.21 C ATOM 140 CG1 VAL A 9 -1.726 13.922 -10.166 1.00 35.52 C ATOM 141 CG2 VAL A 9 -1.574 14.785 -12.512 1.00 54.23 C ATOM 0 H VAL A 9 1.415 14.013 -13.252 1.00 64.03 H new ATOM 0 HA VAL A 9 0.797 14.409 -11.172 1.00 63.23 H new ATOM 0 HB VAL A 9 -1.634 12.736 -11.932 1.00 43.21 H new ATOM 0 HG11 VAL A 9 -2.808 14.042 -10.209 1.00 35.52 H new ATOM 0 HG12 VAL A 9 -1.480 13.081 -9.518 1.00 35.52 H new ATOM 0 HG13 VAL A 9 -1.276 14.831 -9.767 1.00 35.52 H new ATOM 0 HG21 VAL A 9 -2.658 14.895 -12.524 1.00 54.23 H new ATOM 0 HG22 VAL A 9 -1.119 15.717 -12.176 1.00 54.23 H new ATOM 0 HG23 VAL A 9 -1.222 14.551 -13.517 1.00 54.23 H new ATOM 151 N PRO A 10 1.960 12.313 -10.139 1.00 74.42 N ATOM 152 CA PRO A 10 2.450 11.283 -9.218 1.00 71.23 C ATOM 153 C PRO A 10 1.867 11.433 -7.817 1.00 72.23 C ATOM 154 O PRO A 10 2.545 11.893 -6.900 1.00 1.54 O ATOM 155 CB PRO A 10 3.962 11.518 -9.196 1.00 23.10 C ATOM 156 CG PRO A 10 4.128 12.955 -9.554 1.00 34.43 C ATOM 157 CD PRO A 10 3.011 13.275 -10.509 1.00 23.41 C ATOM 0 HA PRO A 10 2.165 10.281 -9.538 1.00 71.23 H new ATOM 0 HB2 PRO A 10 4.382 11.304 -8.213 1.00 23.10 H new ATOM 0 HB3 PRO A 10 4.474 10.871 -9.909 1.00 23.10 H new ATOM 0 HG2 PRO A 10 4.076 13.587 -8.667 1.00 34.43 H new ATOM 0 HG3 PRO A 10 5.099 13.133 -10.016 1.00 34.43 H new ATOM 0 HD2 PRO A 10 2.670 14.305 -10.399 1.00 23.41 H new ATOM 0 HD3 PRO A 10 3.322 13.152 -11.547 1.00 23.41 H new ATOM 165 N GLN A 11 0.607 11.041 -7.661 1.00 35.33 N ATOM 166 CA GLN A 11 -0.067 11.132 -6.371 1.00 2.44 C ATOM 167 C GLN A 11 -1.493 10.601 -6.462 1.00 55.13 C ATOM 168 O GLN A 11 -1.995 9.972 -5.530 1.00 23.22 O ATOM 169 CB GLN A 11 -0.080 12.581 -5.880 1.00 50.33 C ATOM 170 CG GLN A 11 -0.589 13.570 -6.917 1.00 34.31 C ATOM 171 CD GLN A 11 0.385 14.703 -7.171 1.00 61.11 C ATOM 172 OE1 GLN A 11 0.327 15.745 -6.518 1.00 3.03 O ATOM 173 NE2 GLN A 11 1.288 14.505 -8.124 1.00 61.13 N ATOM 0 H GLN A 11 0.032 10.657 -8.411 1.00 35.33 H new ATOM 0 HA GLN A 11 0.484 10.519 -5.658 1.00 2.44 H new ATOM 0 HB2 GLN A 11 -0.704 12.648 -4.989 1.00 50.33 H new ATOM 0 HB3 GLN A 11 0.930 12.865 -5.584 1.00 50.33 H new ATOM 0 HG2 GLN A 11 -0.780 13.044 -7.852 1.00 34.31 H new ATOM 0 HG3 GLN A 11 -1.541 13.983 -6.583 1.00 34.31 H new ATOM 0 HE21 GLN A 11 1.300 13.626 -8.641 1.00 61.13 H new ATOM 0 HE22 GLN A 11 1.970 15.232 -8.339 1.00 61.13 H new ATOM 182 N THR A 12 -2.144 10.859 -7.593 1.00 34.25 N ATOM 183 CA THR A 12 -3.514 10.408 -7.806 1.00 1.24 C ATOM 184 C THR A 12 -4.003 10.776 -9.202 1.00 1.43 C ATOM 185 O THR A 12 -4.044 9.934 -10.098 1.00 65.34 O ATOM 186 CB THR A 12 -4.473 11.012 -6.762 1.00 42.23 C ATOM 187 OG1 THR A 12 -3.829 12.088 -6.070 1.00 52.13 O ATOM 188 CG2 THR A 12 -4.921 9.956 -5.763 1.00 65.14 C ATOM 0 H THR A 12 -1.744 11.378 -8.375 1.00 34.25 H new ATOM 0 HA THR A 12 -3.510 9.323 -7.700 1.00 1.24 H new ATOM 0 HB THR A 12 -5.352 11.390 -7.284 1.00 42.23 H new ATOM 0 HG1 THR A 12 -4.445 12.468 -5.409 1.00 52.13 H new ATOM 0 HG21 THR A 12 -5.597 10.406 -5.036 1.00 65.14 H new ATOM 0 HG22 THR A 12 -5.437 9.153 -6.289 1.00 65.14 H new ATOM 0 HG23 THR A 12 -4.051 9.551 -5.247 1.00 65.14 H new ATOM 196 N PHE A 13 -4.373 12.040 -9.380 1.00 0.22 N ATOM 197 CA PHE A 13 -4.860 12.520 -10.668 1.00 21.10 C ATOM 198 C PHE A 13 -5.101 14.026 -10.632 1.00 11.25 C ATOM 199 O PHE A 13 -4.778 14.693 -9.649 1.00 61.21 O ATOM 200 CB PHE A 13 -6.151 11.794 -11.051 1.00 52.34 C ATOM 201 CG PHE A 13 -7.281 12.034 -10.092 1.00 13.25 C ATOM 202 CD1 PHE A 13 -8.129 13.118 -10.255 1.00 45.23 C ATOM 203 CD2 PHE A 13 -7.496 11.176 -9.025 1.00 60.01 C ATOM 204 CE1 PHE A 13 -9.170 13.342 -9.374 1.00 63.20 C ATOM 205 CE2 PHE A 13 -8.536 11.394 -8.141 1.00 44.20 C ATOM 206 CZ PHE A 13 -9.373 12.479 -8.315 1.00 3.01 C ATOM 0 H PHE A 13 -4.345 12.750 -8.649 1.00 0.22 H new ATOM 0 HA PHE A 13 -4.097 12.310 -11.418 1.00 21.10 H new ATOM 0 HB2 PHE A 13 -6.456 12.114 -12.047 1.00 52.34 H new ATOM 0 HB3 PHE A 13 -5.954 10.723 -11.107 1.00 52.34 H new ATOM 0 HD1 PHE A 13 -7.974 13.796 -11.081 1.00 45.23 H new ATOM 0 HD2 PHE A 13 -6.843 10.327 -8.883 1.00 60.01 H new ATOM 0 HE1 PHE A 13 -9.824 14.190 -9.513 1.00 63.20 H new ATOM 0 HE2 PHE A 13 -8.694 10.717 -7.315 1.00 44.20 H new ATOM 0 HZ PHE A 13 -10.185 12.652 -7.624 1.00 3.01 H new ATOM 216 N GLU A 14 -5.671 14.555 -11.710 1.00 61.52 N ATOM 217 CA GLU A 14 -5.954 15.982 -11.802 1.00 51.00 C ATOM 218 C GLU A 14 -7.104 16.247 -12.769 1.00 52.42 C ATOM 219 O GLU A 14 -7.437 15.404 -13.602 1.00 41.22 O ATOM 220 CB GLU A 14 -4.707 16.744 -12.254 1.00 63.04 C ATOM 221 CG GLU A 14 -3.864 17.270 -11.104 1.00 72.33 C ATOM 222 CD GLU A 14 -2.946 18.402 -11.523 1.00 73.35 C ATOM 223 OE1 GLU A 14 -3.427 19.334 -12.201 1.00 1.40 O ATOM 224 OE2 GLU A 14 -1.748 18.355 -11.175 1.00 33.04 O ATOM 0 H GLU A 14 -5.946 14.017 -12.532 1.00 61.52 H new ATOM 0 HA GLU A 14 -6.246 16.333 -10.812 1.00 51.00 H new ATOM 0 HB2 GLU A 14 -4.094 16.087 -12.872 1.00 63.04 H new ATOM 0 HB3 GLU A 14 -5.011 17.581 -12.883 1.00 63.04 H new ATOM 0 HG2 GLU A 14 -4.521 17.616 -10.306 1.00 72.33 H new ATOM 0 HG3 GLU A 14 -3.267 16.456 -10.694 1.00 72.33 H new ATOM 231 N VAL A 15 -7.708 17.426 -12.652 1.00 35.42 N ATOM 232 CA VAL A 15 -8.821 17.804 -13.515 1.00 61.41 C ATOM 233 C VAL A 15 -8.435 18.955 -14.436 1.00 40.52 C ATOM 234 O VAL A 15 -7.598 19.787 -14.088 1.00 10.42 O ATOM 235 CB VAL A 15 -10.057 18.211 -12.692 1.00 10.34 C ATOM 236 CG1 VAL A 15 -11.264 18.400 -13.598 1.00 10.12 C ATOM 237 CG2 VAL A 15 -10.345 17.176 -11.615 1.00 61.43 C ATOM 0 H VAL A 15 -7.445 18.135 -11.968 1.00 35.42 H new ATOM 0 HA VAL A 15 -9.067 16.929 -14.116 1.00 61.41 H new ATOM 0 HB VAL A 15 -9.848 19.162 -12.202 1.00 10.34 H new ATOM 0 HG11 VAL A 15 -12.128 18.687 -12.998 1.00 10.12 H new ATOM 0 HG12 VAL A 15 -11.052 19.182 -14.328 1.00 10.12 H new ATOM 0 HG13 VAL A 15 -11.478 17.466 -14.118 1.00 10.12 H new ATOM 0 HG21 VAL A 15 -11.222 17.480 -11.043 1.00 61.43 H new ATOM 0 HG22 VAL A 15 -10.533 16.209 -12.081 1.00 61.43 H new ATOM 0 HG23 VAL A 15 -9.487 17.096 -10.948 1.00 61.43 H new ATOM 247 N GLU A 16 -9.052 18.997 -15.613 1.00 64.02 N ATOM 248 CA GLU A 16 -8.772 20.048 -16.585 1.00 23.41 C ATOM 249 C GLU A 16 -9.200 21.411 -16.050 1.00 41.23 C ATOM 250 O GLU A 16 -8.363 22.258 -15.738 1.00 23.15 O ATOM 251 CB GLU A 16 -9.489 19.757 -17.905 1.00 31.23 C ATOM 252 CG GLU A 16 -8.553 19.653 -19.097 1.00 5.43 C ATOM 253 CD GLU A 16 -8.063 21.007 -19.573 1.00 53.23 C ATOM 254 OE1 GLU A 16 -8.218 21.992 -18.821 1.00 31.13 O ATOM 255 OE2 GLU A 16 -7.526 21.082 -20.698 1.00 53.41 O ATOM 0 H GLU A 16 -9.748 18.316 -15.916 1.00 64.02 H new ATOM 0 HA GLU A 16 -7.697 20.068 -16.761 1.00 23.41 H new ATOM 0 HB2 GLU A 16 -10.045 18.825 -17.808 1.00 31.23 H new ATOM 0 HB3 GLU A 16 -10.218 20.545 -18.094 1.00 31.23 H new ATOM 0 HG2 GLU A 16 -7.697 19.034 -18.829 1.00 5.43 H new ATOM 0 HG3 GLU A 16 -9.067 19.148 -19.915 1.00 5.43 H new ATOM 262 N ARG A 17 -10.509 21.616 -15.949 1.00 71.10 N ATOM 263 CA ARG A 17 -11.049 22.877 -15.454 1.00 73.54 C ATOM 264 C ARG A 17 -12.565 22.794 -15.296 1.00 24.34 C ATOM 265 O ARG A 17 -13.205 21.883 -15.823 1.00 2.34 O ATOM 266 CB ARG A 17 -10.687 24.019 -16.405 1.00 11.11 C ATOM 267 CG ARG A 17 -11.735 24.276 -17.476 1.00 21.04 C ATOM 268 CD ARG A 17 -11.920 23.064 -18.376 1.00 12.52 C ATOM 269 NE ARG A 17 -10.820 22.914 -19.324 1.00 25.42 N ATOM 270 CZ ARG A 17 -10.611 23.737 -20.345 1.00 72.12 C ATOM 271 NH1 ARG A 17 -11.424 24.764 -20.549 1.00 51.24 N ATOM 272 NH2 ARG A 17 -9.588 23.534 -21.165 1.00 25.34 N ATOM 0 H ARG A 17 -11.215 20.925 -16.203 1.00 71.10 H new ATOM 0 HA ARG A 17 -10.609 23.074 -14.476 1.00 73.54 H new ATOM 0 HB2 ARG A 17 -10.541 24.931 -15.825 1.00 11.11 H new ATOM 0 HB3 ARG A 17 -9.736 23.792 -16.887 1.00 11.11 H new ATOM 0 HG2 ARG A 17 -12.685 24.529 -17.004 1.00 21.04 H new ATOM 0 HG3 ARG A 17 -11.439 25.136 -18.077 1.00 21.04 H new ATOM 0 HD2 ARG A 17 -11.996 22.166 -17.763 1.00 12.52 H new ATOM 0 HD3 ARG A 17 -12.859 23.158 -18.922 1.00 12.52 H new ATOM 0 HE ARG A 17 -10.176 22.134 -19.195 1.00 25.42 H new ATOM 0 HH11 ARG A 17 -12.212 24.923 -19.921 1.00 51.24 H new ATOM 0 HH12 ARG A 17 -11.262 25.395 -21.334 1.00 51.24 H new ATOM 0 HH21 ARG A 17 -8.960 22.745 -21.012 1.00 25.34 H new ATOM 0 HH22 ARG A 17 -9.429 24.167 -21.949 1.00 25.34 H new ATOM 286 N ILE A 18 -13.131 23.749 -14.566 1.00 40.13 N ATOM 287 CA ILE A 18 -14.570 23.784 -14.339 1.00 53.00 C ATOM 288 C ILE A 18 -15.318 24.178 -15.608 1.00 41.43 C ATOM 289 O ILE A 18 -15.236 25.320 -16.061 1.00 2.43 O ATOM 290 CB ILE A 18 -14.939 24.768 -13.213 1.00 42.00 C ATOM 291 CG1 ILE A 18 -14.123 24.465 -11.954 1.00 50.44 C ATOM 292 CG2 ILE A 18 -16.429 24.698 -12.915 1.00 21.43 C ATOM 293 CD1 ILE A 18 -14.711 23.362 -11.104 1.00 34.41 C ATOM 0 H ILE A 18 -12.615 24.509 -14.122 1.00 40.13 H new ATOM 0 HA ILE A 18 -14.867 22.778 -14.043 1.00 53.00 H new ATOM 0 HB ILE A 18 -14.702 25.780 -13.542 1.00 42.00 H new ATOM 0 HG12 ILE A 18 -13.110 24.187 -12.246 1.00 50.44 H new ATOM 0 HG13 ILE A 18 -14.045 25.372 -11.355 1.00 50.44 H new ATOM 0 HG21 ILE A 18 -16.674 25.399 -12.117 1.00 21.43 H new ATOM 0 HG22 ILE A 18 -16.992 24.958 -13.812 1.00 21.43 H new ATOM 0 HG23 ILE A 18 -16.690 23.687 -12.602 1.00 21.43 H new ATOM 0 HD11 ILE A 18 -14.081 23.201 -10.229 1.00 34.41 H new ATOM 0 HD12 ILE A 18 -15.713 23.646 -10.782 1.00 34.41 H new ATOM 0 HD13 ILE A 18 -14.764 22.442 -11.687 1.00 34.41 H new ATOM 305 N VAL A 19 -16.049 23.226 -16.178 1.00 61.42 N ATOM 306 CA VAL A 19 -16.814 23.474 -17.394 1.00 74.41 C ATOM 307 C VAL A 19 -17.839 24.583 -17.182 1.00 62.40 C ATOM 308 O VAL A 19 -17.879 25.556 -17.934 1.00 54.33 O ATOM 309 CB VAL A 19 -17.542 22.202 -17.869 1.00 22.43 C ATOM 310 CG1 VAL A 19 -18.084 22.391 -19.277 1.00 73.51 C ATOM 311 CG2 VAL A 19 -16.611 21.000 -17.804 1.00 2.33 C ATOM 0 H VAL A 19 -16.128 22.275 -15.817 1.00 61.42 H new ATOM 0 HA VAL A 19 -16.101 23.783 -18.159 1.00 74.41 H new ATOM 0 HB VAL A 19 -18.385 22.017 -17.203 1.00 22.43 H new ATOM 0 HG11 VAL A 19 -18.595 21.482 -19.595 1.00 73.51 H new ATOM 0 HG12 VAL A 19 -18.786 23.225 -19.288 1.00 73.51 H new ATOM 0 HG13 VAL A 19 -17.260 22.602 -19.959 1.00 73.51 H new ATOM 0 HG21 VAL A 19 -17.141 20.110 -18.143 1.00 2.33 H new ATOM 0 HG22 VAL A 19 -15.747 21.174 -18.445 1.00 2.33 H new ATOM 0 HG23 VAL A 19 -16.277 20.854 -16.777 1.00 2.33 H new ATOM 321 N ARG A 20 -18.665 24.428 -16.152 1.00 41.45 N ATOM 322 CA ARG A 20 -19.691 25.417 -15.841 1.00 64.43 C ATOM 323 C ARG A 20 -20.246 25.200 -14.437 1.00 3.25 C ATOM 324 O ARG A 20 -19.743 24.369 -13.680 1.00 12.34 O ATOM 325 CB ARG A 20 -20.825 25.346 -16.866 1.00 25.02 C ATOM 326 CG ARG A 20 -21.486 23.980 -16.949 1.00 64.13 C ATOM 327 CD ARG A 20 -20.911 23.152 -18.088 1.00 31.41 C ATOM 328 NE ARG A 20 -21.947 22.696 -19.011 1.00 14.24 N ATOM 329 CZ ARG A 20 -22.477 23.463 -19.957 1.00 61.14 C ATOM 330 NH1 ARG A 20 -22.069 24.716 -20.106 1.00 31.32 N ATOM 331 NH2 ARG A 20 -23.416 22.976 -20.759 1.00 11.33 N ATOM 0 H ARG A 20 -18.644 23.628 -15.519 1.00 41.45 H new ATOM 0 HA ARG A 20 -19.233 26.405 -15.884 1.00 64.43 H new ATOM 0 HB2 ARG A 20 -21.580 26.091 -16.613 1.00 25.02 H new ATOM 0 HB3 ARG A 20 -20.433 25.611 -17.848 1.00 25.02 H new ATOM 0 HG2 ARG A 20 -21.348 23.450 -16.007 1.00 64.13 H new ATOM 0 HG3 ARG A 20 -22.560 24.102 -17.092 1.00 64.13 H new ATOM 0 HD2 ARG A 20 -20.176 23.745 -18.632 1.00 31.41 H new ATOM 0 HD3 ARG A 20 -20.385 22.289 -17.679 1.00 31.41 H new ATOM 0 HE ARG A 20 -22.282 21.736 -18.924 1.00 14.24 H new ATOM 0 HH11 ARG A 20 -21.346 25.093 -19.493 1.00 31.32 H new ATOM 0 HH12 ARG A 20 -22.478 25.302 -20.833 1.00 31.32 H new ATOM 0 HH21 ARG A 20 -23.731 22.012 -20.649 1.00 11.33 H new ATOM 0 HH22 ARG A 20 -23.823 23.566 -21.485 1.00 11.33 H new ATOM 345 N LYS A 21 -21.285 25.954 -14.094 1.00 71.22 N ATOM 346 CA LYS A 21 -21.910 25.845 -12.781 1.00 51.23 C ATOM 347 C LYS A 21 -23.385 26.230 -12.847 1.00 44.02 C ATOM 348 O LYS A 21 -23.813 26.935 -13.761 1.00 70.45 O ATOM 349 CB LYS A 21 -21.184 26.738 -11.773 1.00 23.25 C ATOM 350 CG LYS A 21 -21.401 28.223 -12.007 1.00 63.34 C ATOM 351 CD LYS A 21 -20.950 29.048 -10.814 1.00 32.34 C ATOM 352 CE LYS A 21 -21.914 30.190 -10.530 1.00 22.21 C ATOM 353 NZ LYS A 21 -21.267 31.280 -9.748 1.00 71.20 N ATOM 0 H LYS A 21 -21.712 26.648 -14.708 1.00 71.22 H new ATOM 0 HA LYS A 21 -21.838 24.807 -12.456 1.00 51.23 H new ATOM 0 HB2 LYS A 21 -21.520 26.484 -10.768 1.00 23.25 H new ATOM 0 HB3 LYS A 21 -20.116 26.525 -11.815 1.00 23.25 H new ATOM 0 HG2 LYS A 21 -20.852 28.536 -12.895 1.00 63.34 H new ATOM 0 HG3 LYS A 21 -22.457 28.411 -12.202 1.00 63.34 H new ATOM 0 HD2 LYS A 21 -20.874 28.408 -9.935 1.00 32.34 H new ATOM 0 HD3 LYS A 21 -19.954 29.449 -11.003 1.00 32.34 H new ATOM 0 HE2 LYS A 21 -22.289 30.592 -11.471 1.00 22.21 H new ATOM 0 HE3 LYS A 21 -22.775 29.810 -9.980 1.00 22.21 H new ATOM 0 HZ1 LYS A 21 -21.696 32.192 -10.003 1.00 71.20 H new ATOM 0 HZ2 LYS A 21 -21.403 31.106 -8.732 1.00 71.20 H new ATOM 0 HZ3 LYS A 21 -20.250 31.304 -9.962 1.00 71.20 H new ATOM 367 N LYS A 22 -24.157 25.764 -11.872 1.00 11.35 N ATOM 368 CA LYS A 22 -25.583 26.062 -11.816 1.00 75.53 C ATOM 369 C LYS A 22 -26.183 25.605 -10.490 1.00 54.12 C ATOM 370 O LYS A 22 -25.767 24.593 -9.926 1.00 2.24 O ATOM 371 CB LYS A 22 -26.312 25.383 -12.978 1.00 71.24 C ATOM 372 CG LYS A 22 -26.477 23.883 -12.801 1.00 5.35 C ATOM 373 CD LYS A 22 -27.924 23.509 -12.529 1.00 11.40 C ATOM 374 CE LYS A 22 -28.544 22.785 -13.714 1.00 33.02 C ATOM 375 NZ LYS A 22 -30.026 22.692 -13.593 1.00 64.24 N ATOM 0 H LYS A 22 -23.819 25.178 -11.109 1.00 11.35 H new ATOM 0 HA LYS A 22 -25.707 27.142 -11.898 1.00 75.53 H new ATOM 0 HB2 LYS A 22 -27.296 25.837 -13.093 1.00 71.24 H new ATOM 0 HB3 LYS A 22 -25.763 25.573 -13.901 1.00 71.24 H new ATOM 0 HG2 LYS A 22 -26.130 23.370 -13.698 1.00 5.35 H new ATOM 0 HG3 LYS A 22 -25.851 23.542 -11.976 1.00 5.35 H new ATOM 0 HD2 LYS A 22 -27.977 22.874 -11.645 1.00 11.40 H new ATOM 0 HD3 LYS A 22 -28.499 24.409 -12.310 1.00 11.40 H new ATOM 0 HE2 LYS A 22 -28.287 23.309 -14.635 1.00 33.02 H new ATOM 0 HE3 LYS A 22 -28.122 21.783 -13.789 1.00 33.02 H new ATOM 0 HZ1 LYS A 22 -30.411 22.192 -14.420 1.00 64.24 H new ATOM 0 HZ2 LYS A 22 -30.272 22.170 -12.727 1.00 64.24 H new ATOM 0 HZ3 LYS A 22 -30.431 23.649 -13.547 1.00 64.24 H new ATOM 389 N ILE A 23 -27.164 26.356 -10.000 1.00 4.22 N ATOM 390 CA ILE A 23 -27.822 26.026 -8.742 1.00 3.42 C ATOM 391 C ILE A 23 -29.266 25.596 -8.973 1.00 71.35 C ATOM 392 O ILE A 23 -29.912 26.036 -9.925 1.00 2.14 O ATOM 393 CB ILE A 23 -27.804 27.219 -7.767 1.00 65.14 C ATOM 394 CG1 ILE A 23 -28.941 28.189 -8.093 1.00 43.43 C ATOM 395 CG2 ILE A 23 -26.460 27.930 -7.826 1.00 1.13 C ATOM 396 CD1 ILE A 23 -30.196 27.942 -7.286 1.00 2.40 C ATOM 0 H ILE A 23 -27.520 27.197 -10.455 1.00 4.22 H new ATOM 0 HA ILE A 23 -27.265 25.199 -8.302 1.00 3.42 H new ATOM 0 HB ILE A 23 -27.951 26.844 -6.754 1.00 65.14 H new ATOM 0 HG12 ILE A 23 -28.600 29.209 -7.916 1.00 43.43 H new ATOM 0 HG13 ILE A 23 -29.180 28.113 -9.154 1.00 43.43 H new ATOM 0 HG21 ILE A 23 -26.462 28.770 -7.132 1.00 1.13 H new ATOM 0 HG22 ILE A 23 -25.668 27.234 -7.550 1.00 1.13 H new ATOM 0 HG23 ILE A 23 -26.286 28.296 -8.838 1.00 1.13 H new ATOM 0 HD11 ILE A 23 -30.959 28.666 -7.570 1.00 2.40 H new ATOM 0 HD12 ILE A 23 -30.562 26.934 -7.482 1.00 2.40 H new ATOM 0 HD13 ILE A 23 -29.973 28.047 -6.224 1.00 2.40 H new ATOM 408 N VAL A 24 -29.769 24.733 -8.096 1.00 65.41 N ATOM 409 CA VAL A 24 -31.138 24.244 -8.203 1.00 11.03 C ATOM 410 C VAL A 24 -31.821 24.221 -6.840 1.00 11.40 C ATOM 411 O VAL A 24 -31.333 23.595 -5.899 1.00 61.40 O ATOM 412 CB VAL A 24 -31.184 22.830 -8.811 1.00 64.21 C ATOM 413 CG1 VAL A 24 -32.371 22.691 -9.751 1.00 35.40 C ATOM 414 CG2 VAL A 24 -29.882 22.519 -9.534 1.00 42.13 C ATOM 0 H VAL A 24 -29.248 24.358 -7.303 1.00 65.41 H new ATOM 0 HA VAL A 24 -31.669 24.932 -8.861 1.00 11.03 H new ATOM 0 HB VAL A 24 -31.306 22.109 -8.002 1.00 64.21 H new ATOM 0 HG11 VAL A 24 -32.387 21.685 -10.171 1.00 35.40 H new ATOM 0 HG12 VAL A 24 -33.294 22.869 -9.200 1.00 35.40 H new ATOM 0 HG13 VAL A 24 -32.284 23.419 -10.557 1.00 35.40 H new ATOM 0 HG21 VAL A 24 -29.932 21.516 -9.958 1.00 42.13 H new ATOM 0 HG22 VAL A 24 -29.728 23.243 -10.334 1.00 42.13 H new ATOM 0 HG23 VAL A 24 -29.052 22.575 -8.829 1.00 42.13 H new ATOM 424 N HIS A 25 -32.954 24.909 -6.741 1.00 14.04 N ATOM 425 CA HIS A 25 -33.706 24.967 -5.492 1.00 54.22 C ATOM 426 C HIS A 25 -32.838 25.506 -4.359 1.00 62.23 C ATOM 427 O HIS A 25 -33.100 25.246 -3.186 1.00 3.13 O ATOM 428 CB HIS A 25 -34.238 23.581 -5.128 1.00 34.14 C ATOM 429 CG HIS A 25 -35.593 23.608 -4.489 1.00 22.01 C ATOM 430 ND1 HIS A 25 -36.747 23.257 -5.157 1.00 10.21 N ATOM 431 CD2 HIS A 25 -35.974 23.945 -3.235 1.00 5.24 C ATOM 432 CE1 HIS A 25 -37.779 23.379 -4.342 1.00 13.24 C ATOM 433 NE2 HIS A 25 -37.337 23.795 -3.168 1.00 61.15 N ATOM 0 H HIS A 25 -33.371 25.434 -7.510 1.00 14.04 H new ATOM 0 HA HIS A 25 -34.548 25.645 -5.635 1.00 54.22 H new ATOM 0 HB2 HIS A 25 -34.283 22.970 -6.029 1.00 34.14 H new ATOM 0 HB3 HIS A 25 -33.535 23.098 -4.450 1.00 34.14 H new ATOM 0 HD2 HIS A 25 -35.326 24.271 -2.435 1.00 5.24 H new ATOM 0 HE1 HIS A 25 -38.809 23.174 -4.592 1.00 13.24 H new ATOM 0 HE2 HIS A 25 -37.914 23.975 -2.347 1.00 61.15 H new ATOM 441 N GLY A 26 -31.802 26.257 -4.720 1.00 42.20 N ATOM 442 CA GLY A 26 -30.910 26.819 -3.723 1.00 12.54 C ATOM 443 C GLY A 26 -29.669 25.975 -3.513 1.00 2.31 C ATOM 444 O GLY A 26 -28.853 26.266 -2.640 1.00 4.33 O ATOM 0 H GLY A 26 -31.565 26.486 -5.685 1.00 42.20 H new ATOM 0 HA2 GLY A 26 -30.615 27.823 -4.029 1.00 12.54 H new ATOM 0 HA3 GLY A 26 -31.443 26.917 -2.777 1.00 12.54 H new ATOM 448 N ASN A 27 -29.527 24.925 -4.315 1.00 43.10 N ATOM 449 CA ASN A 27 -28.377 24.034 -4.211 1.00 43.35 C ATOM 450 C ASN A 27 -27.405 24.264 -5.365 1.00 73.44 C ATOM 451 O ASN A 27 -27.685 23.902 -6.509 1.00 52.51 O ATOM 452 CB ASN A 27 -28.835 22.575 -4.199 1.00 34.34 C ATOM 453 CG ASN A 27 -29.644 22.234 -2.962 1.00 75.21 C ATOM 454 OD1 ASN A 27 -30.872 22.333 -2.963 1.00 4.02 O ATOM 455 ND2 ASN A 27 -28.959 21.830 -1.899 1.00 65.22 N ATOM 0 H ASN A 27 -30.194 24.670 -5.044 1.00 43.10 H new ATOM 0 HA ASN A 27 -27.862 24.254 -3.276 1.00 43.35 H new ATOM 0 HB2 ASN A 27 -29.434 22.378 -5.088 1.00 34.34 H new ATOM 0 HB3 ASN A 27 -27.963 21.923 -4.251 1.00 34.34 H new ATOM 0 HD21 ASN A 27 -29.450 21.587 -1.038 1.00 65.22 H new ATOM 0 HD22 ASN A 27 -27.942 21.763 -1.943 1.00 65.22 H new ATOM 462 N THR A 28 -26.261 24.866 -5.058 1.00 1.43 N ATOM 463 CA THR A 28 -25.248 25.145 -6.068 1.00 20.41 C ATOM 464 C THR A 28 -24.569 23.862 -6.533 1.00 62.25 C ATOM 465 O THR A 28 -24.366 22.936 -5.749 1.00 22.54 O ATOM 466 CB THR A 28 -24.177 26.116 -5.537 1.00 23.44 C ATOM 467 OG1 THR A 28 -24.780 27.085 -4.673 1.00 4.25 O ATOM 468 CG2 THR A 28 -23.469 26.821 -6.684 1.00 14.33 C ATOM 0 H THR A 28 -26.012 25.170 -4.117 1.00 1.43 H new ATOM 0 HA THR A 28 -25.761 25.608 -6.911 1.00 20.41 H new ATOM 0 HB THR A 28 -23.441 25.539 -4.977 1.00 23.44 H new ATOM 0 HG1 THR A 28 -24.092 27.698 -4.338 1.00 4.25 H new ATOM 0 HG21 THR A 28 -22.717 27.501 -6.284 1.00 14.33 H new ATOM 0 HG22 THR A 28 -22.986 26.082 -7.323 1.00 14.33 H new ATOM 0 HG23 THR A 28 -24.196 27.386 -7.268 1.00 14.33 H new ATOM 476 N SER A 29 -24.219 23.814 -7.815 1.00 2.41 N ATOM 477 CA SER A 29 -23.565 22.643 -8.386 1.00 24.12 C ATOM 478 C SER A 29 -22.528 23.053 -9.427 1.00 51.15 C ATOM 479 O SER A 29 -22.830 23.799 -10.359 1.00 42.23 O ATOM 480 CB SER A 29 -24.600 21.712 -9.019 1.00 54.24 C ATOM 481 OG SER A 29 -25.548 21.276 -8.061 1.00 15.24 O ATOM 0 H SER A 29 -24.378 24.573 -8.478 1.00 2.41 H new ATOM 0 HA SER A 29 -23.056 22.114 -7.581 1.00 24.12 H new ATOM 0 HB2 SER A 29 -25.111 22.230 -9.831 1.00 54.24 H new ATOM 0 HB3 SER A 29 -24.098 20.849 -9.457 1.00 54.24 H new ATOM 0 HG SER A 29 -26.199 20.684 -8.491 1.00 15.24 H new ATOM 487 N TYR A 30 -21.306 22.560 -9.262 1.00 42.22 N ATOM 488 CA TYR A 30 -20.223 22.877 -10.186 1.00 22.41 C ATOM 489 C TYR A 30 -19.955 21.710 -11.131 1.00 62.43 C ATOM 490 O TYR A 30 -19.633 20.603 -10.696 1.00 3.33 O ATOM 491 CB TYR A 30 -18.950 23.224 -9.412 1.00 63.34 C ATOM 492 CG TYR A 30 -18.895 24.663 -8.951 1.00 64.42 C ATOM 493 CD1 TYR A 30 -19.961 25.236 -8.270 1.00 20.24 C ATOM 494 CD2 TYR A 30 -17.775 25.449 -9.196 1.00 74.35 C ATOM 495 CE1 TYR A 30 -19.915 26.550 -7.847 1.00 51.22 C ATOM 496 CE2 TYR A 30 -17.720 26.764 -8.776 1.00 72.35 C ATOM 497 CZ TYR A 30 -18.793 27.310 -8.103 1.00 24.12 C ATOM 498 OH TYR A 30 -18.742 28.619 -7.682 1.00 55.34 O ATOM 0 H TYR A 30 -21.040 21.939 -8.497 1.00 42.22 H new ATOM 0 HA TYR A 30 -20.526 23.740 -10.780 1.00 22.41 H new ATOM 0 HB2 TYR A 30 -18.873 22.570 -8.544 1.00 63.34 H new ATOM 0 HB3 TYR A 30 -18.085 23.020 -10.042 1.00 63.34 H new ATOM 0 HD1 TYR A 30 -20.841 24.644 -8.068 1.00 20.24 H new ATOM 0 HD2 TYR A 30 -16.934 25.025 -9.724 1.00 74.35 H new ATOM 0 HE1 TYR A 30 -20.753 26.980 -7.319 1.00 51.22 H new ATOM 0 HE2 TYR A 30 -16.842 27.361 -8.973 1.00 72.35 H new ATOM 0 HH TYR A 30 -17.813 28.865 -7.491 1.00 55.34 H new ATOM 508 N LEU A 31 -20.089 21.965 -12.428 1.00 74.40 N ATOM 509 CA LEU A 31 -19.861 20.937 -13.438 1.00 33.54 C ATOM 510 C LEU A 31 -18.427 20.989 -13.954 1.00 21.35 C ATOM 511 O LEU A 31 -18.023 21.956 -14.599 1.00 3.23 O ATOM 512 CB LEU A 31 -20.840 21.110 -14.600 1.00 72.33 C ATOM 513 CG LEU A 31 -20.776 20.045 -15.696 1.00 33.22 C ATOM 514 CD1 LEU A 31 -20.966 18.657 -15.103 1.00 51.20 C ATOM 515 CD2 LEU A 31 -21.823 20.317 -16.766 1.00 40.32 C ATOM 0 H LEU A 31 -20.354 22.875 -12.805 1.00 74.40 H new ATOM 0 HA LEU A 31 -20.025 19.964 -12.974 1.00 33.54 H new ATOM 0 HB2 LEU A 31 -21.852 21.127 -14.196 1.00 72.33 H new ATOM 0 HB3 LEU A 31 -20.662 22.084 -15.057 1.00 72.33 H new ATOM 0 HG LEU A 31 -19.791 20.088 -16.161 1.00 33.22 H new ATOM 0 HD11 LEU A 31 -20.917 17.912 -15.897 1.00 51.20 H new ATOM 0 HD12 LEU A 31 -20.179 18.462 -14.374 1.00 51.20 H new ATOM 0 HD13 LEU A 31 -21.938 18.601 -14.612 1.00 51.20 H new ATOM 0 HD21 LEU A 31 -21.763 19.549 -17.538 1.00 40.32 H new ATOM 0 HD22 LEU A 31 -22.816 20.302 -16.316 1.00 40.32 H new ATOM 0 HD23 LEU A 31 -21.642 21.295 -17.212 1.00 40.32 H new ATOM 527 N VAL A 32 -17.662 19.940 -13.667 1.00 3.24 N ATOM 528 CA VAL A 32 -16.273 19.865 -14.104 1.00 60.33 C ATOM 529 C VAL A 32 -16.035 18.630 -14.967 1.00 1.33 C ATOM 530 O VAL A 32 -16.600 17.566 -14.716 1.00 71.52 O ATOM 531 CB VAL A 32 -15.307 19.833 -12.905 1.00 14.33 C ATOM 532 CG1 VAL A 32 -15.408 18.504 -12.173 1.00 24.40 C ATOM 533 CG2 VAL A 32 -13.880 20.093 -13.363 1.00 73.21 C ATOM 0 H VAL A 32 -17.981 19.131 -13.134 1.00 3.24 H new ATOM 0 HA VAL A 32 -16.078 20.761 -14.693 1.00 60.33 H new ATOM 0 HB VAL A 32 -15.591 20.624 -12.211 1.00 14.33 H new ATOM 0 HG11 VAL A 32 -14.718 18.500 -11.329 1.00 24.40 H new ATOM 0 HG12 VAL A 32 -16.426 18.365 -11.810 1.00 24.40 H new ATOM 0 HG13 VAL A 32 -15.152 17.693 -12.855 1.00 24.40 H new ATOM 0 HG21 VAL A 32 -13.211 20.067 -12.503 1.00 73.21 H new ATOM 0 HG22 VAL A 32 -13.582 19.326 -14.078 1.00 73.21 H new ATOM 0 HG23 VAL A 32 -13.823 21.073 -13.837 1.00 73.21 H new ATOM 543 N LYS A 33 -15.194 18.780 -15.984 1.00 63.43 N ATOM 544 CA LYS A 33 -14.878 17.677 -16.885 1.00 2.04 C ATOM 545 C LYS A 33 -13.697 16.867 -16.359 1.00 74.50 C ATOM 546 O LYS A 33 -13.250 17.066 -15.230 1.00 24.22 O ATOM 547 CB LYS A 33 -14.562 18.209 -18.284 1.00 71.14 C ATOM 548 CG LYS A 33 -13.464 19.258 -18.303 1.00 22.10 C ATOM 549 CD LYS A 33 -13.779 20.378 -19.281 1.00 22.25 C ATOM 550 CE LYS A 33 -12.697 20.512 -20.342 1.00 12.15 C ATOM 551 NZ LYS A 33 -12.940 21.677 -21.237 1.00 74.31 N ATOM 0 H LYS A 33 -14.718 19.655 -16.206 1.00 63.43 H new ATOM 0 HA LYS A 33 -15.749 17.024 -16.940 1.00 2.04 H new ATOM 0 HB2 LYS A 33 -14.268 17.376 -18.922 1.00 71.14 H new ATOM 0 HB3 LYS A 33 -15.468 18.636 -18.714 1.00 71.14 H new ATOM 0 HG2 LYS A 33 -13.338 19.672 -17.303 1.00 22.10 H new ATOM 0 HG3 LYS A 33 -12.518 18.791 -18.576 1.00 22.10 H new ATOM 0 HD2 LYS A 33 -14.738 20.185 -19.761 1.00 22.25 H new ATOM 0 HD3 LYS A 33 -13.877 21.319 -18.739 1.00 22.25 H new ATOM 0 HE2 LYS A 33 -11.726 20.621 -19.859 1.00 12.15 H new ATOM 0 HE3 LYS A 33 -12.656 19.599 -20.937 1.00 12.15 H new ATOM 0 HZ1 LYS A 33 -12.034 22.017 -21.618 1.00 74.31 H new ATOM 0 HZ2 LYS A 33 -13.559 21.389 -22.021 1.00 74.31 H new ATOM 0 HZ3 LYS A 33 -13.397 22.440 -20.698 1.00 74.31 H new ATOM 565 N TRP A 34 -13.198 15.954 -17.185 1.00 2.42 N ATOM 566 CA TRP A 34 -12.068 15.115 -16.803 1.00 3.02 C ATOM 567 C TRP A 34 -10.964 15.176 -17.853 1.00 54.42 C ATOM 568 O TRP A 34 -10.937 14.375 -18.788 1.00 13.24 O ATOM 569 CB TRP A 34 -12.524 13.668 -16.608 1.00 43.02 C ATOM 570 CG TRP A 34 -13.613 13.520 -15.589 1.00 42.42 C ATOM 571 CD1 TRP A 34 -13.777 14.259 -14.452 1.00 61.31 C ATOM 572 CD2 TRP A 34 -14.687 12.575 -15.614 1.00 74.44 C ATOM 573 NE1 TRP A 34 -14.889 13.829 -13.769 1.00 21.12 N ATOM 574 CE2 TRP A 34 -15.466 12.797 -14.461 1.00 45.45 C ATOM 575 CE3 TRP A 34 -15.069 11.563 -16.499 1.00 74.15 C ATOM 576 CZ2 TRP A 34 -16.600 12.044 -14.173 1.00 13.23 C ATOM 577 CZ3 TRP A 34 -16.196 10.816 -16.211 1.00 43.13 C ATOM 578 CH2 TRP A 34 -16.951 11.060 -15.057 1.00 10.15 C ATOM 0 H TRP A 34 -13.558 15.776 -18.123 1.00 2.42 H new ATOM 0 HA TRP A 34 -11.669 15.493 -15.862 1.00 3.02 H new ATOM 0 HB2 TRP A 34 -12.873 13.273 -17.562 1.00 43.02 H new ATOM 0 HB3 TRP A 34 -11.669 13.063 -16.306 1.00 43.02 H new ATOM 0 HD1 TRP A 34 -13.128 15.063 -14.136 1.00 61.31 H new ATOM 0 HE1 TRP A 34 -15.230 14.216 -12.889 1.00 21.12 H new ATOM 0 HE3 TRP A 34 -14.494 11.368 -17.392 1.00 74.15 H new ATOM 0 HZ2 TRP A 34 -17.183 12.230 -13.283 1.00 13.23 H new ATOM 0 HZ3 TRP A 34 -16.499 10.031 -16.888 1.00 43.13 H new ATOM 0 HH2 TRP A 34 -17.827 10.460 -14.861 1.00 10.15 H new ATOM 589 N LYS A 35 -10.055 16.132 -17.695 1.00 21.04 N ATOM 590 CA LYS A 35 -8.947 16.298 -18.628 1.00 74.54 C ATOM 591 C LYS A 35 -9.457 16.416 -20.061 1.00 40.42 C ATOM 592 O LYS A 35 -8.809 15.957 -21.000 1.00 43.04 O ATOM 593 CB LYS A 35 -7.978 15.118 -18.517 1.00 15.23 C ATOM 594 CG LYS A 35 -6.521 15.535 -18.426 1.00 2.21 C ATOM 595 CD LYS A 35 -6.004 16.050 -19.759 1.00 61.50 C ATOM 596 CE LYS A 35 -5.938 14.940 -20.797 1.00 23.41 C ATOM 597 NZ LYS A 35 -4.545 14.705 -21.270 1.00 32.33 N ATOM 0 H LYS A 35 -10.064 16.805 -16.928 1.00 21.04 H new ATOM 0 HA LYS A 35 -8.422 17.217 -18.370 1.00 74.54 H new ATOM 0 HB2 LYS A 35 -8.235 14.530 -17.636 1.00 15.23 H new ATOM 0 HB3 LYS A 35 -8.108 14.469 -19.383 1.00 15.23 H new ATOM 0 HG2 LYS A 35 -6.410 16.310 -17.668 1.00 2.21 H new ATOM 0 HG3 LYS A 35 -5.918 14.686 -18.104 1.00 2.21 H new ATOM 0 HD2 LYS A 35 -6.654 16.848 -20.119 1.00 61.50 H new ATOM 0 HD3 LYS A 35 -5.013 16.483 -19.624 1.00 61.50 H new ATOM 0 HE2 LYS A 35 -6.337 14.020 -20.370 1.00 23.41 H new ATOM 0 HE3 LYS A 35 -6.571 15.198 -21.646 1.00 23.41 H new ATOM 0 HZ1 LYS A 35 -4.542 13.941 -21.976 1.00 32.33 H new ATOM 0 HZ2 LYS A 35 -4.173 15.576 -21.700 1.00 32.33 H new ATOM 0 HZ3 LYS A 35 -3.946 14.434 -20.464 1.00 32.33 H new ATOM 611 N ASN A 36 -10.621 17.037 -20.221 1.00 13.23 N ATOM 612 CA ASN A 36 -11.217 17.217 -21.540 1.00 11.23 C ATOM 613 C ASN A 36 -11.484 15.870 -22.205 1.00 2.24 C ATOM 614 O ASN A 36 -11.669 15.791 -23.419 1.00 50.52 O ATOM 615 CB ASN A 36 -10.300 18.063 -22.425 1.00 61.04 C ATOM 616 CG ASN A 36 -10.769 19.501 -22.537 1.00 72.33 C ATOM 617 OD1 ASN A 36 -11.832 19.777 -23.094 1.00 32.25 O ATOM 618 ND2 ASN A 36 -9.976 20.425 -22.008 1.00 30.32 N ATOM 0 H ASN A 36 -11.170 17.424 -19.454 1.00 13.23 H new ATOM 0 HA ASN A 36 -12.168 17.734 -21.414 1.00 11.23 H new ATOM 0 HB2 ASN A 36 -9.289 18.044 -22.018 1.00 61.04 H new ATOM 0 HB3 ASN A 36 -10.251 17.621 -23.420 1.00 61.04 H new ATOM 0 HD21 ASN A 36 -10.239 21.409 -22.054 1.00 30.32 H new ATOM 0 HD22 ASN A 36 -9.104 20.150 -21.556 1.00 30.32 H new ATOM 625 N TYR A 37 -11.502 14.813 -21.400 1.00 54.22 N ATOM 626 CA TYR A 37 -11.745 13.469 -21.910 1.00 63.12 C ATOM 627 C TYR A 37 -13.222 13.268 -22.236 1.00 65.21 C ATOM 628 O TYR A 37 -13.568 12.647 -23.241 1.00 32.22 O ATOM 629 CB TYR A 37 -11.289 12.424 -20.890 1.00 53.11 C ATOM 630 CG TYR A 37 -11.632 11.005 -21.283 1.00 21.30 C ATOM 631 CD1 TYR A 37 -12.893 10.478 -21.031 1.00 43.24 C ATOM 632 CD2 TYR A 37 -10.695 10.190 -21.907 1.00 4.51 C ATOM 633 CE1 TYR A 37 -13.210 9.182 -21.388 1.00 24.21 C ATOM 634 CE2 TYR A 37 -11.003 8.893 -22.268 1.00 51.33 C ATOM 635 CZ TYR A 37 -12.262 8.393 -22.006 1.00 43.43 C ATOM 636 OH TYR A 37 -12.574 7.102 -22.364 1.00 61.03 O ATOM 0 H TYR A 37 -11.351 14.861 -20.392 1.00 54.22 H new ATOM 0 HA TYR A 37 -11.170 13.347 -22.828 1.00 63.12 H new ATOM 0 HB2 TYR A 37 -10.210 12.505 -20.757 1.00 53.11 H new ATOM 0 HB3 TYR A 37 -11.746 12.646 -19.926 1.00 53.11 H new ATOM 0 HD1 TYR A 37 -13.638 11.093 -20.548 1.00 43.24 H new ATOM 0 HD2 TYR A 37 -9.708 10.578 -22.113 1.00 4.51 H new ATOM 0 HE1 TYR A 37 -14.195 8.788 -21.184 1.00 24.21 H new ATOM 0 HE2 TYR A 37 -10.263 8.274 -22.753 1.00 51.33 H new ATOM 0 HH TYR A 37 -11.797 6.684 -22.789 1.00 61.03 H new ATOM 646 N SER A 38 -14.088 13.799 -21.379 1.00 24.21 N ATOM 647 CA SER A 38 -15.528 13.676 -21.572 1.00 63.13 C ATOM 648 C SER A 38 -16.107 14.956 -22.168 1.00 21.51 C ATOM 649 O SER A 38 -16.807 14.921 -23.180 1.00 30.12 O ATOM 650 CB SER A 38 -16.217 13.361 -20.243 1.00 71.24 C ATOM 651 OG SER A 38 -16.392 11.964 -20.078 1.00 41.32 O ATOM 0 H SER A 38 -13.817 14.319 -20.544 1.00 24.21 H new ATOM 0 HA SER A 38 -15.708 12.857 -22.269 1.00 63.13 H new ATOM 0 HB2 SER A 38 -15.623 13.756 -19.419 1.00 71.24 H new ATOM 0 HB3 SER A 38 -17.186 13.859 -20.205 1.00 71.24 H new ATOM 0 HG SER A 38 -16.367 11.742 -19.124 1.00 41.32 H new ATOM 657 N SER A 39 -15.809 16.084 -21.532 1.00 54.20 N ATOM 658 CA SER A 39 -16.303 17.376 -21.995 1.00 70.35 C ATOM 659 C SER A 39 -17.788 17.534 -21.682 1.00 3.12 C ATOM 660 O SER A 39 -18.190 18.459 -20.976 1.00 32.14 O ATOM 661 CB SER A 39 -16.069 17.525 -23.500 1.00 73.31 C ATOM 662 OG SER A 39 -15.799 18.873 -23.843 1.00 72.22 O ATOM 0 H SER A 39 -15.228 16.130 -20.695 1.00 54.20 H new ATOM 0 HA SER A 39 -15.754 18.157 -21.469 1.00 70.35 H new ATOM 0 HB2 SER A 39 -15.234 16.894 -23.806 1.00 73.31 H new ATOM 0 HB3 SER A 39 -16.947 17.177 -24.044 1.00 73.31 H new ATOM 0 HG SER A 39 -15.651 18.941 -24.809 1.00 72.22 H new ATOM 668 N LYS A 40 -18.598 16.625 -22.212 1.00 72.33 N ATOM 669 CA LYS A 40 -20.039 16.660 -21.990 1.00 2.33 C ATOM 670 C LYS A 40 -20.443 15.688 -20.886 1.00 1.22 C ATOM 671 O LYS A 40 -21.461 15.879 -20.220 1.00 25.04 O ATOM 672 CB LYS A 40 -20.784 16.319 -23.282 1.00 41.31 C ATOM 673 CG LYS A 40 -20.516 14.911 -23.785 1.00 54.20 C ATOM 674 CD LYS A 40 -21.442 13.900 -23.130 1.00 21.22 C ATOM 675 CE LYS A 40 -22.426 13.314 -24.131 1.00 65.21 C ATOM 676 NZ LYS A 40 -23.539 12.591 -23.457 1.00 12.14 N ATOM 0 H LYS A 40 -18.281 15.854 -22.799 1.00 72.33 H new ATOM 0 HA LYS A 40 -20.309 17.669 -21.678 1.00 2.33 H new ATOM 0 HB2 LYS A 40 -21.855 16.439 -23.117 1.00 41.31 H new ATOM 0 HB3 LYS A 40 -20.499 17.032 -24.055 1.00 41.31 H new ATOM 0 HG2 LYS A 40 -20.647 14.879 -24.867 1.00 54.20 H new ATOM 0 HG3 LYS A 40 -19.480 14.642 -23.581 1.00 54.20 H new ATOM 0 HD2 LYS A 40 -20.852 13.098 -22.687 1.00 21.22 H new ATOM 0 HD3 LYS A 40 -21.989 14.379 -22.318 1.00 21.22 H new ATOM 0 HE2 LYS A 40 -22.834 14.113 -24.749 1.00 65.21 H new ATOM 0 HE3 LYS A 40 -21.901 12.631 -24.799 1.00 65.21 H new ATOM 0 HZ1 LYS A 40 -24.188 12.207 -24.173 1.00 12.14 H new ATOM 0 HZ2 LYS A 40 -23.152 11.812 -22.887 1.00 12.14 H new ATOM 0 HZ3 LYS A 40 -24.056 13.248 -22.839 1.00 12.14 H new ATOM 690 N ASP A 41 -19.639 14.647 -20.697 1.00 12.50 N ATOM 691 CA ASP A 41 -19.912 13.647 -19.672 1.00 30.12 C ATOM 692 C ASP A 41 -19.419 14.119 -18.307 1.00 71.43 C ATOM 693 O ASP A 41 -19.425 13.361 -17.338 1.00 62.55 O ATOM 694 CB ASP A 41 -19.248 12.318 -20.036 1.00 51.13 C ATOM 695 CG ASP A 41 -20.256 11.255 -20.425 1.00 32.40 C ATOM 696 OD1 ASP A 41 -21.349 11.224 -19.821 1.00 72.23 O ATOM 697 OD2 ASP A 41 -19.953 10.454 -21.333 1.00 65.34 O ATOM 0 H ASP A 41 -18.793 14.474 -21.240 1.00 12.50 H new ATOM 0 HA ASP A 41 -20.991 13.503 -19.619 1.00 30.12 H new ATOM 0 HB2 ASP A 41 -18.554 12.476 -20.862 1.00 51.13 H new ATOM 0 HB3 ASP A 41 -18.660 11.965 -19.189 1.00 51.13 H new ATOM 702 N ASN A 42 -18.992 15.375 -18.240 1.00 52.51 N ATOM 703 CA ASN A 42 -18.494 15.948 -16.995 1.00 32.14 C ATOM 704 C ASN A 42 -19.406 15.586 -15.826 1.00 73.34 C ATOM 705 O ASN A 42 -20.574 15.244 -16.018 1.00 0.42 O ATOM 706 CB ASN A 42 -18.383 17.469 -17.117 1.00 21.03 C ATOM 707 CG ASN A 42 -19.561 18.078 -17.853 1.00 22.41 C ATOM 708 OD1 ASN A 42 -20.694 17.614 -17.725 1.00 61.52 O ATOM 709 ND2 ASN A 42 -19.297 19.122 -18.629 1.00 52.33 N ATOM 0 H ASN A 42 -18.981 16.016 -19.033 1.00 52.51 H new ATOM 0 HA ASN A 42 -17.505 15.532 -16.804 1.00 32.14 H new ATOM 0 HB2 ASN A 42 -18.315 17.907 -16.121 1.00 21.03 H new ATOM 0 HB3 ASN A 42 -17.461 17.722 -17.640 1.00 21.03 H new ATOM 0 HD21 ASN A 42 -20.049 19.574 -19.150 1.00 52.33 H new ATOM 0 HD22 ASN A 42 -18.342 19.473 -18.705 1.00 52.33 H new ATOM 716 N THR A 43 -18.865 15.663 -14.614 1.00 75.23 N ATOM 717 CA THR A 43 -19.629 15.343 -13.415 1.00 31.11 C ATOM 718 C THR A 43 -20.053 16.609 -12.679 1.00 71.12 C ATOM 719 O THR A 43 -19.498 17.684 -12.904 1.00 41.25 O ATOM 720 CB THR A 43 -18.819 14.451 -12.455 1.00 14.55 C ATOM 721 OG1 THR A 43 -19.536 14.276 -11.227 1.00 40.42 O ATOM 722 CG2 THR A 43 -17.456 15.063 -12.169 1.00 21.51 C ATOM 0 H THR A 43 -17.901 15.944 -14.437 1.00 75.23 H new ATOM 0 HA THR A 43 -20.517 14.801 -13.741 1.00 31.11 H new ATOM 0 HB THR A 43 -18.672 13.482 -12.931 1.00 14.55 H new ATOM 0 HG1 THR A 43 -19.016 13.707 -10.623 1.00 40.42 H new ATOM 0 HG21 THR A 43 -16.902 14.416 -11.489 1.00 21.51 H new ATOM 0 HG22 THR A 43 -16.902 15.169 -13.102 1.00 21.51 H new ATOM 0 HG23 THR A 43 -17.586 16.044 -11.711 1.00 21.51 H new ATOM 730 N TRP A 44 -21.039 16.474 -11.799 1.00 64.14 N ATOM 731 CA TRP A 44 -21.536 17.608 -11.030 1.00 14.44 C ATOM 732 C TRP A 44 -21.119 17.499 -9.567 1.00 41.12 C ATOM 733 O TRP A 44 -21.377 16.489 -8.913 1.00 43.15 O ATOM 734 CB TRP A 44 -23.060 17.692 -11.133 1.00 31.01 C ATOM 735 CG TRP A 44 -23.576 17.447 -12.519 1.00 2.42 C ATOM 736 CD1 TRP A 44 -23.677 18.361 -13.529 1.00 15.24 C ATOM 737 CD2 TRP A 44 -24.062 16.208 -13.046 1.00 1.20 C ATOM 738 NE1 TRP A 44 -24.197 17.765 -14.652 1.00 35.41 N ATOM 739 CE2 TRP A 44 -24.441 16.444 -14.382 1.00 61.10 C ATOM 740 CE3 TRP A 44 -24.212 14.922 -12.520 1.00 42.14 C ATOM 741 CZ2 TRP A 44 -24.961 15.441 -15.196 1.00 44.00 C ATOM 742 CZ3 TRP A 44 -24.728 13.928 -13.329 1.00 71.15 C ATOM 743 CH2 TRP A 44 -25.097 14.191 -14.655 1.00 43.35 C ATOM 0 H TRP A 44 -21.509 15.591 -11.601 1.00 64.14 H new ATOM 0 HA TRP A 44 -21.100 18.516 -11.446 1.00 14.44 H new ATOM 0 HB2 TRP A 44 -23.504 16.964 -10.454 1.00 31.01 H new ATOM 0 HB3 TRP A 44 -23.386 18.678 -10.801 1.00 31.01 H new ATOM 0 HD1 TRP A 44 -23.390 19.400 -13.455 1.00 15.24 H new ATOM 0 HE1 TRP A 44 -24.373 18.230 -15.542 1.00 35.41 H new ATOM 0 HE3 TRP A 44 -23.930 14.709 -11.500 1.00 42.14 H new ATOM 0 HZ2 TRP A 44 -25.247 15.642 -16.218 1.00 44.00 H new ATOM 0 HZ3 TRP A 44 -24.849 12.931 -12.932 1.00 71.15 H new ATOM 0 HH2 TRP A 44 -25.496 13.392 -15.262 1.00 43.35 H new ATOM 754 N GLU A 45 -20.473 18.545 -9.061 1.00 14.14 N ATOM 755 CA GLU A 45 -20.020 18.564 -7.675 1.00 13.32 C ATOM 756 C GLU A 45 -20.448 19.854 -6.980 1.00 44.35 C ATOM 757 O GLU A 45 -20.130 20.953 -7.436 1.00 53.44 O ATOM 758 CB GLU A 45 -18.499 18.417 -7.610 1.00 43.33 C ATOM 759 CG GLU A 45 -18.017 16.987 -7.784 1.00 34.54 C ATOM 760 CD GLU A 45 -17.430 16.410 -6.510 1.00 2.41 C ATOM 761 OE1 GLU A 45 -18.001 16.658 -5.428 1.00 30.55 O ATOM 762 OE2 GLU A 45 -16.398 15.712 -6.596 1.00 71.25 O ATOM 0 H GLU A 45 -20.252 19.389 -9.589 1.00 14.14 H new ATOM 0 HA GLU A 45 -20.481 17.723 -7.158 1.00 13.32 H new ATOM 0 HB2 GLU A 45 -18.049 19.040 -8.383 1.00 43.33 H new ATOM 0 HB3 GLU A 45 -18.147 18.796 -6.651 1.00 43.33 H new ATOM 0 HG2 GLU A 45 -18.850 16.364 -8.111 1.00 34.54 H new ATOM 0 HG3 GLU A 45 -17.266 16.954 -8.573 1.00 34.54 H new ATOM 769 N THR A 46 -21.171 19.712 -5.874 1.00 3.41 N ATOM 770 CA THR A 46 -21.644 20.865 -5.117 1.00 25.40 C ATOM 771 C THR A 46 -20.552 21.921 -4.984 1.00 73.40 C ATOM 772 O THR A 46 -19.364 21.600 -4.976 1.00 13.21 O ATOM 773 CB THR A 46 -22.120 20.456 -3.711 1.00 33.45 C ATOM 774 OG1 THR A 46 -21.537 19.201 -3.341 1.00 3.31 O ATOM 775 CG2 THR A 46 -23.637 20.348 -3.663 1.00 50.52 C ATOM 0 H THR A 46 -21.442 18.810 -5.482 1.00 3.41 H new ATOM 0 HA THR A 46 -22.485 21.283 -5.670 1.00 25.40 H new ATOM 0 HB THR A 46 -21.803 21.226 -3.007 1.00 33.45 H new ATOM 0 HG1 THR A 46 -21.856 18.942 -2.451 1.00 3.31 H new ATOM 0 HG21 THR A 46 -23.950 20.058 -2.660 1.00 50.52 H new ATOM 0 HG22 THR A 46 -24.079 21.312 -3.916 1.00 50.52 H new ATOM 0 HG23 THR A 46 -23.971 19.597 -4.379 1.00 50.52 H new ATOM 783 N GLU A 47 -20.964 23.180 -4.879 1.00 43.44 N ATOM 784 CA GLU A 47 -20.019 24.283 -4.747 1.00 11.32 C ATOM 785 C GLU A 47 -19.148 24.107 -3.506 1.00 50.42 C ATOM 786 O GLU A 47 -18.060 24.676 -3.413 1.00 61.20 O ATOM 787 CB GLU A 47 -20.765 25.617 -4.675 1.00 12.23 C ATOM 788 CG GLU A 47 -19.927 26.754 -4.114 1.00 70.11 C ATOM 789 CD GLU A 47 -20.662 28.080 -4.123 1.00 13.04 C ATOM 790 OE1 GLU A 47 -21.758 28.154 -3.528 1.00 72.22 O ATOM 791 OE2 GLU A 47 -20.142 29.043 -4.723 1.00 55.42 O ATOM 0 H GLU A 47 -21.944 23.462 -4.883 1.00 43.44 H new ATOM 0 HA GLU A 47 -19.374 24.283 -5.626 1.00 11.32 H new ATOM 0 HB2 GLU A 47 -21.106 25.887 -5.674 1.00 12.23 H new ATOM 0 HB3 GLU A 47 -21.654 25.493 -4.057 1.00 12.23 H new ATOM 0 HG2 GLU A 47 -19.632 26.513 -3.093 1.00 70.11 H new ATOM 0 HG3 GLU A 47 -19.011 26.847 -4.697 1.00 70.11 H new ATOM 798 N ASP A 48 -19.635 23.317 -2.556 1.00 51.10 N ATOM 799 CA ASP A 48 -18.902 23.065 -1.321 1.00 1.32 C ATOM 800 C ASP A 48 -18.148 21.742 -1.397 1.00 25.40 C ATOM 801 O ASP A 48 -17.460 21.353 -0.453 1.00 65.40 O ATOM 802 CB ASP A 48 -19.859 23.053 -0.128 1.00 11.10 C ATOM 803 CG ASP A 48 -19.235 23.644 1.121 1.00 53.10 C ATOM 804 OD1 ASP A 48 -18.837 24.827 1.082 1.00 63.31 O ATOM 805 OD2 ASP A 48 -19.145 22.924 2.137 1.00 22.33 O ATOM 0 H ASP A 48 -20.534 22.840 -2.617 1.00 51.10 H new ATOM 0 HA ASP A 48 -18.177 23.868 -1.187 1.00 1.32 H new ATOM 0 HB2 ASP A 48 -20.758 23.614 -0.382 1.00 11.10 H new ATOM 0 HB3 ASP A 48 -20.170 22.028 0.075 1.00 11.10 H new ATOM 810 N ASP A 49 -18.282 21.054 -2.526 1.00 33.15 N ATOM 811 CA ASP A 49 -17.614 19.773 -2.725 1.00 45.42 C ATOM 812 C ASP A 49 -16.697 19.823 -3.943 1.00 43.44 C ATOM 813 O ASP A 49 -15.938 18.888 -4.200 1.00 50.00 O ATOM 814 CB ASP A 49 -18.644 18.656 -2.893 1.00 14.03 C ATOM 815 CG ASP A 49 -19.470 18.438 -1.640 1.00 75.13 C ATOM 816 OD1 ASP A 49 -20.064 19.418 -1.142 1.00 60.34 O ATOM 817 OD2 ASP A 49 -19.524 17.287 -1.159 1.00 12.35 O ATOM 0 H ASP A 49 -18.847 21.362 -3.317 1.00 33.15 H new ATOM 0 HA ASP A 49 -17.008 19.567 -1.843 1.00 45.42 H new ATOM 0 HB2 ASP A 49 -19.306 18.898 -3.724 1.00 14.03 H new ATOM 0 HB3 ASP A 49 -18.132 17.730 -3.153 1.00 14.03 H new ATOM 822 N ILE A 50 -16.773 20.920 -4.690 1.00 71.54 N ATOM 823 CA ILE A 50 -15.950 21.091 -5.881 1.00 72.33 C ATOM 824 C ILE A 50 -14.709 21.922 -5.577 1.00 24.14 C ATOM 825 O ILE A 50 -13.647 21.709 -6.163 1.00 32.31 O ATOM 826 CB ILE A 50 -16.739 21.765 -7.019 1.00 14.32 C ATOM 827 CG1 ILE A 50 -15.890 21.830 -8.290 1.00 1.23 C ATOM 828 CG2 ILE A 50 -17.184 23.159 -6.601 1.00 32.12 C ATOM 829 CD1 ILE A 50 -16.389 20.928 -9.397 1.00 11.42 C ATOM 0 H ILE A 50 -17.396 21.703 -4.491 1.00 71.54 H new ATOM 0 HA ILE A 50 -15.647 20.094 -6.201 1.00 72.33 H new ATOM 0 HB ILE A 50 -17.627 21.168 -7.228 1.00 14.32 H new ATOM 0 HG12 ILE A 50 -15.870 22.858 -8.651 1.00 1.23 H new ATOM 0 HG13 ILE A 50 -14.863 21.558 -8.046 1.00 1.23 H new ATOM 0 HG21 ILE A 50 -17.740 23.623 -7.416 1.00 32.12 H new ATOM 0 HG22 ILE A 50 -17.822 23.088 -5.720 1.00 32.12 H new ATOM 0 HG23 ILE A 50 -16.309 23.766 -6.368 1.00 32.12 H new ATOM 0 HD11 ILE A 50 -15.739 21.026 -10.267 1.00 11.42 H new ATOM 0 HD12 ILE A 50 -16.383 19.893 -9.054 1.00 11.42 H new ATOM 0 HD13 ILE A 50 -17.405 21.214 -9.669 1.00 11.42 H new ATOM 841 N ARG A 51 -14.849 22.869 -4.655 1.00 24.33 N ATOM 842 CA ARG A 51 -13.738 23.732 -4.271 1.00 71.12 C ATOM 843 C ARG A 51 -12.805 23.017 -3.298 1.00 11.53 C ATOM 844 O ARG A 51 -11.662 23.430 -3.099 1.00 40.42 O ATOM 845 CB ARG A 51 -14.262 25.022 -3.638 1.00 52.20 C ATOM 846 CG ARG A 51 -14.365 24.959 -2.123 1.00 1.01 C ATOM 847 CD ARG A 51 -15.469 24.013 -1.678 1.00 70.43 C ATOM 848 NE ARG A 51 -15.392 23.713 -0.251 1.00 2.51 N ATOM 849 CZ ARG A 51 -15.677 24.595 0.701 1.00 22.11 C ATOM 850 NH1 ARG A 51 -16.056 25.824 0.379 1.00 33.12 N ATOM 851 NH2 ARG A 51 -15.583 24.247 1.978 1.00 0.53 N ATOM 0 H ARG A 51 -15.721 23.058 -4.160 1.00 24.33 H new ATOM 0 HA ARG A 51 -13.175 23.980 -5.171 1.00 71.12 H new ATOM 0 HB2 ARG A 51 -13.604 25.846 -3.915 1.00 52.20 H new ATOM 0 HB3 ARG A 51 -15.245 25.246 -4.052 1.00 52.20 H new ATOM 0 HG2 ARG A 51 -13.413 24.630 -1.706 1.00 1.01 H new ATOM 0 HG3 ARG A 51 -14.558 25.957 -1.729 1.00 1.01 H new ATOM 0 HD2 ARG A 51 -16.439 24.457 -1.903 1.00 70.43 H new ATOM 0 HD3 ARG A 51 -15.403 23.086 -2.247 1.00 70.43 H new ATOM 0 HE ARG A 51 -15.104 22.776 0.030 1.00 2.51 H new ATOM 0 HH11 ARG A 51 -16.129 26.095 -0.602 1.00 33.12 H new ATOM 0 HH12 ARG A 51 -16.274 26.499 1.112 1.00 33.12 H new ATOM 0 HH21 ARG A 51 -15.292 23.302 2.229 1.00 0.53 H new ATOM 0 HH22 ARG A 51 -15.802 24.924 2.709 1.00 0.53 H new ATOM 865 N THR A 52 -13.301 21.943 -2.692 1.00 24.22 N ATOM 866 CA THR A 52 -12.513 21.172 -1.738 1.00 71.22 C ATOM 867 C THR A 52 -11.699 20.093 -2.443 1.00 5.13 C ATOM 868 O THR A 52 -10.607 19.736 -2.000 1.00 22.24 O ATOM 869 CB THR A 52 -13.409 20.510 -0.675 1.00 34.13 C ATOM 870 OG1 THR A 52 -12.603 19.807 0.277 1.00 1.23 O ATOM 871 CG2 THR A 52 -14.395 19.548 -1.320 1.00 61.44 C ATOM 0 H THR A 52 -14.245 21.587 -2.845 1.00 24.22 H new ATOM 0 HA THR A 52 -11.837 21.872 -1.248 1.00 71.22 H new ATOM 0 HB THR A 52 -13.970 21.294 -0.167 1.00 34.13 H new ATOM 0 HG1 THR A 52 -13.181 19.390 0.950 1.00 1.23 H new ATOM 0 HG21 THR A 52 -15.017 19.093 -0.549 1.00 61.44 H new ATOM 0 HG22 THR A 52 -15.027 20.092 -2.022 1.00 61.44 H new ATOM 0 HG23 THR A 52 -13.849 18.769 -1.852 1.00 61.44 H new ATOM 879 N LYS A 53 -12.235 19.577 -3.543 1.00 52.13 N ATOM 880 CA LYS A 53 -11.558 18.540 -4.312 1.00 25.33 C ATOM 881 C LYS A 53 -10.907 19.125 -5.561 1.00 3.32 C ATOM 882 O LYS A 53 -9.863 18.651 -6.009 1.00 62.31 O ATOM 883 CB LYS A 53 -12.546 17.441 -4.707 1.00 35.44 C ATOM 884 CG LYS A 53 -13.467 17.016 -3.576 1.00 33.02 C ATOM 885 CD LYS A 53 -12.682 16.586 -2.348 1.00 44.52 C ATOM 886 CE LYS A 53 -13.589 15.975 -1.291 1.00 42.25 C ATOM 887 NZ LYS A 53 -13.067 16.200 0.085 1.00 0.00 N ATOM 0 H LYS A 53 -13.138 19.861 -3.923 1.00 52.13 H new ATOM 0 HA LYS A 53 -10.777 18.110 -3.684 1.00 25.33 H new ATOM 0 HB2 LYS A 53 -13.150 17.791 -5.544 1.00 35.44 H new ATOM 0 HB3 LYS A 53 -11.989 16.572 -5.057 1.00 35.44 H new ATOM 0 HG2 LYS A 53 -14.129 17.842 -3.315 1.00 33.02 H new ATOM 0 HG3 LYS A 53 -14.100 16.194 -3.910 1.00 33.02 H new ATOM 0 HD2 LYS A 53 -11.920 15.862 -2.637 1.00 44.52 H new ATOM 0 HD3 LYS A 53 -12.161 17.447 -1.928 1.00 44.52 H new ATOM 0 HE2 LYS A 53 -14.587 16.406 -1.376 1.00 42.25 H new ATOM 0 HE3 LYS A 53 -13.687 14.905 -1.472 1.00 42.25 H new ATOM 0 HZ1 LYS A 53 -13.713 15.769 0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.126 15.767 0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.997 17.222 0.267 1.00 0.00 H new ATOM 901 N TYR A 54 -11.529 20.159 -6.117 1.00 24.11 N ATOM 902 CA TYR A 54 -11.010 20.809 -7.315 1.00 30.42 C ATOM 903 C TYR A 54 -10.858 22.311 -7.097 1.00 53.04 C ATOM 904 O TYR A 54 -11.002 23.102 -8.028 1.00 50.24 O ATOM 905 CB TYR A 54 -11.935 20.545 -8.504 1.00 62.13 C ATOM 906 CG TYR A 54 -12.417 19.114 -8.591 1.00 41.52 C ATOM 907 CD1 TYR A 54 -11.525 18.071 -8.806 1.00 4.53 C ATOM 908 CD2 TYR A 54 -13.765 18.806 -8.457 1.00 52.05 C ATOM 909 CE1 TYR A 54 -11.961 16.763 -8.886 1.00 41.35 C ATOM 910 CE2 TYR A 54 -14.210 17.501 -8.535 1.00 74.54 C ATOM 911 CZ TYR A 54 -13.305 16.483 -8.750 1.00 65.15 C ATOM 912 OH TYR A 54 -13.743 15.181 -8.829 1.00 20.11 O ATOM 0 H TYR A 54 -12.393 20.565 -5.757 1.00 24.11 H new ATOM 0 HA TYR A 54 -10.026 20.390 -7.529 1.00 30.42 H new ATOM 0 HB2 TYR A 54 -12.798 21.207 -8.436 1.00 62.13 H new ATOM 0 HB3 TYR A 54 -11.411 20.799 -9.425 1.00 62.13 H new ATOM 0 HD1 TYR A 54 -10.472 18.287 -8.912 1.00 4.53 H new ATOM 0 HD2 TYR A 54 -14.477 19.601 -8.289 1.00 52.05 H new ATOM 0 HE1 TYR A 54 -11.254 15.964 -9.054 1.00 41.35 H new ATOM 0 HE2 TYR A 54 -15.261 17.279 -8.428 1.00 74.54 H new ATOM 0 HH TYR A 54 -14.716 15.155 -8.711 1.00 20.11 H new ATOM 922 N GLY A 55 -10.566 22.697 -5.859 1.00 63.30 N ATOM 923 CA GLY A 55 -10.398 24.102 -5.540 1.00 14.51 C ATOM 924 C GLY A 55 -9.405 24.790 -6.455 1.00 41.50 C ATOM 925 O GLY A 55 -9.421 26.014 -6.592 1.00 23.13 O ATOM 0 H GLY A 55 -10.443 22.061 -5.071 1.00 63.30 H new ATOM 0 HA2 GLY A 55 -11.362 24.605 -5.611 1.00 14.51 H new ATOM 0 HA3 GLY A 55 -10.063 24.199 -4.507 1.00 14.51 H new ATOM 929 N ASP A 56 -8.537 24.004 -7.082 1.00 35.30 N ATOM 930 CA ASP A 56 -7.531 24.544 -7.989 1.00 13.44 C ATOM 931 C ASP A 56 -8.188 25.255 -9.168 1.00 33.11 C ATOM 932 O ASP A 56 -7.890 26.416 -9.452 1.00 25.40 O ATOM 933 CB ASP A 56 -6.617 23.428 -8.495 1.00 32.41 C ATOM 934 CG ASP A 56 -5.149 23.736 -8.274 1.00 34.10 C ATOM 935 OD1 ASP A 56 -4.764 23.990 -7.113 1.00 72.32 O ATOM 936 OD2 ASP A 56 -4.386 23.723 -9.262 1.00 23.33 O ATOM 0 H ASP A 56 -8.510 22.990 -6.979 1.00 35.30 H new ATOM 0 HA ASP A 56 -6.933 25.270 -7.438 1.00 13.44 H new ATOM 0 HB2 ASP A 56 -6.870 22.497 -7.988 1.00 32.41 H new ATOM 0 HB3 ASP A 56 -6.796 23.270 -9.559 1.00 32.41 H new ATOM 941 N LEU A 57 -9.083 24.551 -9.852 1.00 72.21 N ATOM 942 CA LEU A 57 -9.782 25.113 -11.002 1.00 54.52 C ATOM 943 C LEU A 57 -10.978 25.949 -10.557 1.00 75.21 C ATOM 944 O LEU A 57 -11.346 26.924 -11.212 1.00 1.41 O ATOM 945 CB LEU A 57 -10.246 23.996 -11.939 1.00 12.34 C ATOM 946 CG LEU A 57 -10.555 22.652 -11.278 1.00 52.23 C ATOM 947 CD1 LEU A 57 -11.698 21.954 -11.999 1.00 62.31 C ATOM 948 CD2 LEU A 57 -9.316 21.770 -11.259 1.00 64.22 C ATOM 0 H LEU A 57 -9.342 23.590 -9.630 1.00 72.21 H new ATOM 0 HA LEU A 57 -9.087 25.761 -11.536 1.00 54.52 H new ATOM 0 HB2 LEU A 57 -11.140 24.335 -12.462 1.00 12.34 H new ATOM 0 HB3 LEU A 57 -9.476 23.839 -12.694 1.00 12.34 H new ATOM 0 HG LEU A 57 -10.861 22.836 -10.248 1.00 52.23 H new ATOM 0 HD11 LEU A 57 -11.904 20.999 -11.515 1.00 62.31 H new ATOM 0 HD12 LEU A 57 -12.589 22.580 -11.960 1.00 62.31 H new ATOM 0 HD13 LEU A 57 -11.421 21.781 -13.039 1.00 62.31 H new ATOM 0 HD21 LEU A 57 -9.554 20.818 -10.785 1.00 64.22 H new ATOM 0 HD22 LEU A 57 -8.980 21.593 -12.281 1.00 64.22 H new ATOM 0 HD23 LEU A 57 -8.525 22.267 -10.698 1.00 64.22 H new ATOM 960 N VAL A 58 -11.581 25.561 -9.438 1.00 33.52 N ATOM 961 CA VAL A 58 -12.734 26.275 -8.903 1.00 0.33 C ATOM 962 C VAL A 58 -12.429 27.759 -8.730 1.00 50.04 C ATOM 963 O VAL A 58 -13.248 28.615 -9.065 1.00 74.33 O ATOM 964 CB VAL A 58 -13.176 25.692 -7.547 1.00 51.53 C ATOM 965 CG1 VAL A 58 -14.284 26.538 -6.938 1.00 3.41 C ATOM 966 CG2 VAL A 58 -13.625 24.248 -7.710 1.00 11.22 C ATOM 0 H VAL A 58 -11.290 24.756 -8.884 1.00 33.52 H new ATOM 0 HA VAL A 58 -13.543 26.154 -9.623 1.00 0.33 H new ATOM 0 HB VAL A 58 -12.324 25.709 -6.868 1.00 51.53 H new ATOM 0 HG11 VAL A 58 -14.583 26.111 -5.981 1.00 3.41 H new ATOM 0 HG12 VAL A 58 -13.923 27.555 -6.785 1.00 3.41 H new ATOM 0 HG13 VAL A 58 -15.141 26.555 -7.612 1.00 3.41 H new ATOM 0 HG21 VAL A 58 -13.934 23.852 -6.743 1.00 11.22 H new ATOM 0 HG22 VAL A 58 -14.464 24.204 -8.405 1.00 11.22 H new ATOM 0 HG23 VAL A 58 -12.800 23.652 -8.100 1.00 11.22 H new ATOM 976 N ASP A 59 -11.245 28.057 -8.206 1.00 72.15 N ATOM 977 CA ASP A 59 -10.830 29.438 -7.991 1.00 13.22 C ATOM 978 C ASP A 59 -10.326 30.063 -9.288 1.00 23.12 C ATOM 979 O ASP A 59 -9.871 31.207 -9.302 1.00 22.24 O ATOM 980 CB ASP A 59 -9.740 29.504 -6.920 1.00 41.43 C ATOM 981 CG ASP A 59 -10.286 29.284 -5.523 1.00 61.13 C ATOM 982 OD1 ASP A 59 -11.105 28.358 -5.345 1.00 61.22 O ATOM 983 OD2 ASP A 59 -9.894 30.037 -4.608 1.00 23.12 O ATOM 0 H ASP A 59 -10.556 27.361 -7.922 1.00 72.15 H new ATOM 0 HA ASP A 59 -11.697 30.003 -7.651 1.00 13.22 H new ATOM 0 HB2 ASP A 59 -8.980 28.752 -7.132 1.00 41.43 H new ATOM 0 HB3 ASP A 59 -9.248 30.476 -6.966 1.00 41.43 H new ATOM 988 N ASP A 60 -10.408 29.304 -10.375 1.00 54.21 N ATOM 989 CA ASP A 60 -9.960 29.783 -11.678 1.00 12.15 C ATOM 990 C ASP A 60 -11.147 30.031 -12.603 1.00 71.24 C ATOM 991 O ASP A 60 -11.030 30.736 -13.605 1.00 45.54 O ATOM 992 CB ASP A 60 -9.003 28.774 -12.314 1.00 1.21 C ATOM 993 CG ASP A 60 -7.638 29.371 -12.598 1.00 74.43 C ATOM 994 OD1 ASP A 60 -6.774 29.330 -11.698 1.00 44.50 O ATOM 995 OD2 ASP A 60 -7.435 29.877 -13.722 1.00 31.35 O ATOM 0 H ASP A 60 -10.780 28.354 -10.380 1.00 54.21 H new ATOM 0 HA ASP A 60 -9.435 30.727 -11.530 1.00 12.15 H new ATOM 0 HB2 ASP A 60 -8.891 27.916 -11.651 1.00 1.21 H new ATOM 0 HB3 ASP A 60 -9.435 28.404 -13.244 1.00 1.21 H new ATOM 1000 N PHE A 61 -12.290 29.445 -12.262 1.00 22.42 N ATOM 1001 CA PHE A 61 -13.498 29.600 -13.063 1.00 71.23 C ATOM 1002 C PHE A 61 -14.444 30.616 -12.430 1.00 42.44 C ATOM 1003 O PHE A 61 -14.725 31.664 -13.012 1.00 64.41 O ATOM 1004 CB PHE A 61 -14.208 28.254 -13.219 1.00 75.34 C ATOM 1005 CG PHE A 61 -15.567 28.363 -13.850 1.00 73.51 C ATOM 1006 CD1 PHE A 61 -15.702 28.447 -15.226 1.00 51.44 C ATOM 1007 CD2 PHE A 61 -16.710 28.380 -13.066 1.00 42.54 C ATOM 1008 CE1 PHE A 61 -16.951 28.547 -15.810 1.00 51.30 C ATOM 1009 CE2 PHE A 61 -17.961 28.480 -13.644 1.00 73.33 C ATOM 1010 CZ PHE A 61 -18.082 28.565 -15.018 1.00 31.53 C ATOM 0 H PHE A 61 -12.405 28.858 -11.436 1.00 22.42 H new ATOM 0 HA PHE A 61 -13.206 29.966 -14.048 1.00 71.23 H new ATOM 0 HB2 PHE A 61 -13.587 27.593 -13.824 1.00 75.34 H new ATOM 0 HB3 PHE A 61 -14.308 27.789 -12.238 1.00 75.34 H new ATOM 0 HD1 PHE A 61 -14.821 28.434 -15.850 1.00 51.44 H new ATOM 0 HD2 PHE A 61 -16.622 28.314 -11.992 1.00 42.54 H new ATOM 0 HE1 PHE A 61 -17.042 28.611 -16.884 1.00 51.30 H new ATOM 0 HE2 PHE A 61 -18.844 28.492 -13.022 1.00 73.33 H new ATOM 0 HZ PHE A 61 -19.059 28.645 -15.471 1.00 31.53 H new ATOM 1020 N GLU A 62 -14.931 30.298 -11.235 1.00 55.03 N ATOM 1021 CA GLU A 62 -15.847 31.183 -10.524 1.00 63.21 C ATOM 1022 C GLU A 62 -15.214 32.553 -10.300 1.00 54.41 C ATOM 1023 O GLU A 62 -15.890 33.581 -10.369 1.00 63.52 O ATOM 1024 CB GLU A 62 -16.246 30.567 -9.181 1.00 41.43 C ATOM 1025 CG GLU A 62 -15.172 30.688 -8.113 1.00 51.41 C ATOM 1026 CD GLU A 62 -15.272 29.602 -7.060 1.00 65.22 C ATOM 1027 OE1 GLU A 62 -16.205 28.776 -7.147 1.00 1.43 O ATOM 1028 OE2 GLU A 62 -14.417 29.577 -6.150 1.00 70.31 O ATOM 0 H GLU A 62 -14.707 29.435 -10.739 1.00 55.03 H new ATOM 0 HA GLU A 62 -16.740 31.310 -11.137 1.00 63.21 H new ATOM 0 HB2 GLU A 62 -17.156 31.050 -8.825 1.00 41.43 H new ATOM 0 HB3 GLU A 62 -16.482 29.513 -9.330 1.00 41.43 H new ATOM 0 HG2 GLU A 62 -14.190 30.643 -8.584 1.00 51.41 H new ATOM 0 HG3 GLU A 62 -15.251 31.663 -7.633 1.00 51.41 H new ATOM 1035 N LYS A 63 -13.913 32.561 -10.030 1.00 53.25 N ATOM 1036 CA LYS A 63 -13.187 33.804 -9.796 1.00 74.15 C ATOM 1037 C LYS A 63 -13.063 34.612 -11.084 1.00 54.30 C ATOM 1038 O LYS A 63 -12.629 35.763 -11.066 1.00 10.13 O ATOM 1039 CB LYS A 63 -11.796 33.507 -9.232 1.00 12.31 C ATOM 1040 CG LYS A 63 -11.823 32.794 -7.891 1.00 52.02 C ATOM 1041 CD LYS A 63 -12.482 33.646 -6.819 1.00 53.05 C ATOM 1042 CE LYS A 63 -11.776 33.501 -5.480 1.00 53.20 C ATOM 1043 NZ LYS A 63 -12.623 33.980 -4.352 1.00 61.23 N ATOM 0 H LYS A 63 -13.339 31.720 -9.968 1.00 53.25 H new ATOM 0 HA LYS A 63 -13.748 34.393 -9.071 1.00 74.15 H new ATOM 0 HB2 LYS A 63 -11.246 32.896 -9.948 1.00 12.31 H new ATOM 0 HB3 LYS A 63 -11.249 34.444 -9.125 1.00 12.31 H new ATOM 0 HG2 LYS A 63 -12.362 31.852 -7.990 1.00 52.02 H new ATOM 0 HG3 LYS A 63 -10.805 32.549 -7.588 1.00 52.02 H new ATOM 0 HD2 LYS A 63 -12.471 34.692 -7.126 1.00 53.05 H new ATOM 0 HD3 LYS A 63 -13.527 33.356 -6.714 1.00 53.05 H new ATOM 0 HE2 LYS A 63 -11.514 32.455 -5.319 1.00 53.20 H new ATOM 0 HE3 LYS A 63 -10.843 34.064 -5.498 1.00 53.20 H new ATOM 0 HZ1 LYS A 63 -12.107 33.865 -3.457 1.00 61.23 H new ATOM 0 HZ2 LYS A 63 -12.852 34.985 -4.492 1.00 61.23 H new ATOM 0 HZ3 LYS A 63 -13.502 33.426 -4.318 1.00 61.23 H new ATOM 1057 N ASN A 64 -13.449 34.002 -12.200 1.00 13.20 N ATOM 1058 CA ASN A 64 -13.382 34.666 -13.497 1.00 1.34 C ATOM 1059 C ASN A 64 -14.759 35.162 -13.926 1.00 73.02 C ATOM 1060 O ASN A 64 -14.879 36.185 -14.600 1.00 63.32 O ATOM 1061 CB ASN A 64 -12.818 33.713 -14.552 1.00 53.15 C ATOM 1062 CG ASN A 64 -11.313 33.561 -14.449 1.00 71.52 C ATOM 1063 OD1 ASN A 64 -10.605 33.580 -15.456 1.00 75.34 O ATOM 1064 ND2 ASN A 64 -10.817 33.408 -13.227 1.00 64.41 N ATOM 0 H ASN A 64 -13.811 33.049 -12.232 1.00 13.20 H new ATOM 0 HA ASN A 64 -12.719 35.526 -13.403 1.00 1.34 H new ATOM 0 HB2 ASN A 64 -13.287 32.735 -14.442 1.00 53.15 H new ATOM 0 HB3 ASN A 64 -13.076 34.081 -15.545 1.00 53.15 H new ATOM 0 HD21 ASN A 64 -9.811 33.300 -13.095 1.00 64.41 H new ATOM 0 HD22 ASN A 64 -11.442 33.398 -12.421 1.00 64.41 H new ATOM 1071 N GLN A 65 -15.796 34.430 -13.530 1.00 64.24 N ATOM 1072 CA GLN A 65 -17.164 34.795 -13.875 1.00 15.32 C ATOM 1073 C GLN A 65 -17.752 35.744 -12.835 1.00 75.14 C ATOM 1074 O GLN A 65 -18.580 36.598 -13.156 1.00 21.54 O ATOM 1075 CB GLN A 65 -18.035 33.543 -13.990 1.00 54.13 C ATOM 1076 CG GLN A 65 -18.154 32.763 -12.691 1.00 73.21 C ATOM 1077 CD GLN A 65 -19.567 32.755 -12.142 1.00 75.24 C ATOM 1078 OE1 GLN A 65 -20.314 31.795 -12.333 1.00 74.51 O ATOM 1079 NE2 GLN A 65 -19.942 33.828 -11.456 1.00 34.11 N ATOM 0 H GLN A 65 -15.714 33.581 -12.970 1.00 64.24 H new ATOM 0 HA GLN A 65 -17.146 35.306 -14.838 1.00 15.32 H new ATOM 0 HB2 GLN A 65 -19.032 33.833 -14.322 1.00 54.13 H new ATOM 0 HB3 GLN A 65 -17.620 32.891 -14.759 1.00 54.13 H new ATOM 0 HG2 GLN A 65 -17.827 31.737 -12.857 1.00 73.21 H new ATOM 0 HG3 GLN A 65 -17.483 33.196 -11.949 1.00 73.21 H new ATOM 0 HE21 GLN A 65 -19.290 34.601 -11.322 1.00 34.11 H new ATOM 0 HE22 GLN A 65 -20.882 33.879 -11.063 1.00 34.11 H new ATOM 1088 N LYS A 66 -17.320 35.589 -11.589 1.00 33.15 N ATOM 1089 CA LYS A 66 -17.802 36.432 -10.501 1.00 34.43 C ATOM 1090 C LYS A 66 -17.455 37.896 -10.752 1.00 21.54 C ATOM 1091 O LYS A 66 -18.026 38.795 -10.134 1.00 71.32 O ATOM 1092 CB LYS A 66 -17.202 35.975 -9.169 1.00 64.34 C ATOM 1093 CG LYS A 66 -17.883 34.750 -8.583 1.00 43.22 C ATOM 1094 CD LYS A 66 -19.364 34.995 -8.348 1.00 61.33 C ATOM 1095 CE LYS A 66 -19.971 33.923 -7.456 1.00 72.34 C ATOM 1096 NZ LYS A 66 -21.452 33.853 -7.603 1.00 25.24 N ATOM 0 H LYS A 66 -16.636 34.887 -11.307 1.00 33.15 H new ATOM 0 HA LYS A 66 -18.887 36.337 -10.455 1.00 34.43 H new ATOM 0 HB2 LYS A 66 -16.143 35.758 -9.312 1.00 64.34 H new ATOM 0 HB3 LYS A 66 -17.265 36.793 -8.452 1.00 64.34 H new ATOM 0 HG2 LYS A 66 -17.756 33.904 -9.258 1.00 43.22 H new ATOM 0 HG3 LYS A 66 -17.404 34.481 -7.642 1.00 43.22 H new ATOM 0 HD2 LYS A 66 -19.504 35.974 -7.889 1.00 61.33 H new ATOM 0 HD3 LYS A 66 -19.887 35.014 -9.304 1.00 61.33 H new ATOM 0 HE2 LYS A 66 -19.535 32.955 -7.703 1.00 72.34 H new ATOM 0 HE3 LYS A 66 -19.718 34.130 -6.416 1.00 72.34 H new ATOM 0 HZ1 LYS A 66 -21.828 33.111 -6.979 1.00 25.24 H new ATOM 0 HZ2 LYS A 66 -21.870 34.769 -7.343 1.00 25.24 H new ATOM 0 HZ3 LYS A 66 -21.693 33.630 -8.590 1.00 25.24 H new ATOM 1110 N LYS A 67 -16.516 38.128 -11.662 1.00 40.34 N ATOM 1111 CA LYS A 67 -16.094 39.483 -11.998 1.00 2.03 C ATOM 1112 C LYS A 67 -15.634 40.234 -10.752 1.00 63.41 C ATOM 1113 O LYS A 67 -14.564 40.844 -10.743 1.00 15.02 O ATOM 1114 CB LYS A 67 -17.238 40.244 -12.671 1.00 71.01 C ATOM 1115 CG LYS A 67 -16.782 41.469 -13.444 1.00 41.30 C ATOM 1116 CD LYS A 67 -17.482 41.573 -14.788 1.00 55.43 C ATOM 1117 CE LYS A 67 -18.741 42.423 -14.697 1.00 3.01 C ATOM 1118 NZ LYS A 67 -19.922 41.730 -15.283 1.00 4.34 N ATOM 0 H LYS A 67 -16.032 37.395 -12.181 1.00 40.34 H new ATOM 0 HA LYS A 67 -15.255 39.414 -12.690 1.00 2.03 H new ATOM 0 HB2 LYS A 67 -17.761 39.571 -13.350 1.00 71.01 H new ATOM 0 HB3 LYS A 67 -17.956 40.551 -11.910 1.00 71.01 H new ATOM 0 HG2 LYS A 67 -16.983 42.366 -12.858 1.00 41.30 H new ATOM 0 HG3 LYS A 67 -15.704 41.423 -13.597 1.00 41.30 H new ATOM 0 HD2 LYS A 67 -16.802 42.006 -15.521 1.00 55.43 H new ATOM 0 HD3 LYS A 67 -17.740 40.575 -15.143 1.00 55.43 H new ATOM 0 HE2 LYS A 67 -18.942 42.663 -13.653 1.00 3.01 H new ATOM 0 HE3 LYS A 67 -18.580 43.368 -15.216 1.00 3.01 H new ATOM 0 HZ1 LYS A 67 -20.759 42.342 -15.202 1.00 4.34 H new ATOM 0 HZ2 LYS A 67 -19.741 41.523 -16.286 1.00 4.34 H new ATOM 0 HZ3 LYS A 67 -20.092 40.841 -14.771 1.00 4.34 H new TER 1132 LYS A 67