USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 489 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 92 TYR OH : rot 30:sc= 1.03 USER MOD Set 1.2: A 110 TYR OH : rot -108:sc= 1.25 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 47 SER OG : rot -56:sc= 0.693 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.949 K(o=-0.95,f=-2!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.0528 K(o=-0.053,f=-1.5) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -170:sc= -0.0421 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -168:sc=-0.00221 (180deg=-0.116) USER MOD Single : A 105 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0151) USER MOD Single : A 106 MET CE :methyl 151:sc=-0.00853 (180deg=-0.0612) USER MOD Single : A 113 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00236) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot -68:sc= 0.277 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -112.623-123.721 1.826 1.00 0.00 N ATOM 114 CA ASP A 41 -113.737-123.973 2.746 1.00 0.00 C ATOM 115 C ASP A 41 -114.854-123.057 2.325 1.00 0.00 C ATOM 116 O ASP A 41 -114.650-122.155 1.509 1.00 0.00 O ATOM 117 CB ASP A 41 -113.395-123.740 4.250 1.00 0.00 C ATOM 118 CG ASP A 41 -112.532-124.886 4.794 1.00 0.00 C ATOM 119 OD1 ASP A 41 -111.372-125.046 4.332 1.00 0.00 O ATOM 120 OD2 ASP A 41 -113.031-125.618 5.690 1.00 0.00 O ATOM 0 HA ASP A 41 -114.005-125.028 2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -112.866-122.794 4.365 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -114.315-123.664 4.830 1.00 0.00 H new ATOM 125 N VAL A 42 -116.073-123.232 2.919 1.00 0.00 N ATOM 126 CA VAL A 42 -117.201-122.342 2.666 1.00 0.00 C ATOM 127 C VAL A 42 -117.175-121.357 3.821 1.00 0.00 C ATOM 128 O VAL A 42 -117.297-121.649 5.014 1.00 0.00 O ATOM 129 CB VAL A 42 -118.550-123.048 2.499 1.00 0.00 C ATOM 130 CG1 VAL A 42 -118.553-123.730 1.114 1.00 0.00 C ATOM 131 CG2 VAL A 42 -118.832-124.068 3.622 1.00 0.00 C ATOM 0 H VAL A 42 -116.278-123.987 3.573 1.00 0.00 H new ATOM 0 HA VAL A 42 -117.095-121.848 1.700 1.00 0.00 H new ATOM 0 HB VAL A 42 -119.350-122.311 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -119.503-124.243 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -118.420-122.977 0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -117.738-124.452 1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -119.801-124.537 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -118.054-124.832 3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -118.840-123.556 4.584 1.00 0.00 H new ATOM 141 N ILE A 43 -116.909-120.098 3.415 1.00 0.00 N ATOM 142 CA ILE A 43 -116.637-118.979 4.288 1.00 0.00 C ATOM 143 C ILE A 43 -117.486-117.808 3.822 1.00 0.00 C ATOM 144 O ILE A 43 -117.961-117.773 2.678 1.00 0.00 O ATOM 145 CB ILE A 43 -115.128-118.709 4.345 1.00 0.00 C ATOM 146 CG1 ILE A 43 -114.459-118.713 2.947 1.00 0.00 C ATOM 147 CG2 ILE A 43 -114.498-119.806 5.244 1.00 0.00 C ATOM 148 CD1 ILE A 43 -112.964-118.377 3.010 1.00 0.00 C ATOM 0 H ILE A 43 -116.881-119.842 2.428 1.00 0.00 H new ATOM 0 HA ILE A 43 -116.917-119.183 5.321 1.00 0.00 H new ATOM 0 HB ILE A 43 -114.963-117.711 4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -114.589-119.693 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -114.963-117.991 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -113.421-119.648 5.310 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -114.934-119.754 6.242 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -114.695-120.787 4.813 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -112.545-118.394 2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -112.832-117.385 3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -112.451-119.113 3.629 1.00 0.00 H new ATOM 160 N THR A 44 -117.725-116.830 4.744 1.00 0.00 N ATOM 161 CA THR A 44 -118.621-115.694 4.518 1.00 0.00 C ATOM 162 C THR A 44 -117.854-114.396 4.558 1.00 0.00 C ATOM 163 O THR A 44 -117.211-114.034 5.542 1.00 0.00 O ATOM 164 CB THR A 44 -119.801-115.651 5.497 1.00 0.00 C ATOM 165 OG1 THR A 44 -120.585-116.834 5.358 1.00 0.00 O ATOM 166 CG2 THR A 44 -120.738-114.447 5.242 1.00 0.00 C ATOM 0 H THR A 44 -117.290-116.823 5.666 1.00 0.00 H new ATOM 0 HA THR A 44 -119.047-115.831 3.524 1.00 0.00 H new ATOM 0 HB THR A 44 -119.373-115.563 6.495 1.00 0.00 H new ATOM 0 HG1 THR A 44 -121.337-116.804 5.986 1.00 0.00 H new ATOM 0 HG21 THR A 44 -121.556-114.464 5.962 1.00 0.00 H new ATOM 0 HG22 THR A 44 -120.177-113.519 5.352 1.00 0.00 H new ATOM 0 HG23 THR A 44 -121.142-114.508 4.232 1.00 0.00 H new ATOM 174 N PHE A 45 -117.948-113.636 3.444 1.00 0.00 N ATOM 175 CA PHE A 45 -117.370-112.319 3.233 1.00 0.00 C ATOM 176 C PHE A 45 -118.402-111.235 3.566 1.00 0.00 C ATOM 177 O PHE A 45 -119.505-111.251 3.006 1.00 0.00 O ATOM 178 CB PHE A 45 -116.929-112.219 1.749 1.00 0.00 C ATOM 179 CG PHE A 45 -115.917-113.308 1.474 1.00 0.00 C ATOM 180 CD1 PHE A 45 -116.255-114.588 1.049 1.00 0.00 C ATOM 181 CD2 PHE A 45 -114.585-113.027 1.644 1.00 0.00 C ATOM 182 CE1 PHE A 45 -115.299-115.581 0.975 1.00 0.00 C ATOM 183 CE2 PHE A 45 -113.636-114.009 1.619 1.00 0.00 C ATOM 184 CZ PHE A 45 -113.993-115.291 1.311 1.00 0.00 C ATOM 0 H PHE A 45 -118.465-113.959 2.626 1.00 0.00 H new ATOM 0 HA PHE A 45 -116.508-112.172 3.884 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -117.790-112.327 1.090 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -116.495-111.239 1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -117.276-114.808 0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -114.279-112.003 1.802 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -115.571-116.576 0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -112.606-113.772 1.842 1.00 0.00 H new ATOM 0 HZ PHE A 45 -113.253-116.077 1.331 1.00 0.00 H new ATOM 194 N GLN A 46 -118.089-110.279 4.504 1.00 0.00 N ATOM 195 CA GLN A 46 -119.014-109.251 4.929 1.00 0.00 C ATOM 196 C GLN A 46 -118.265-107.939 4.965 1.00 0.00 C ATOM 197 O GLN A 46 -117.062-107.853 4.707 1.00 0.00 O ATOM 198 CB GLN A 46 -119.810-109.603 6.222 1.00 0.00 C ATOM 199 CG GLN A 46 -118.952-109.931 7.454 1.00 0.00 C ATOM 200 CD GLN A 46 -119.775-110.330 8.678 1.00 0.00 C ATOM 201 OE1 GLN A 46 -121.006-110.332 8.707 1.00 0.00 O ATOM 202 NE2 GLN A 46 -119.024-110.633 9.765 1.00 0.00 N ATOM 0 H GLN A 46 -117.181-110.228 4.966 1.00 0.00 H new ATOM 0 HA GLN A 46 -119.823-109.163 4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -120.462-108.764 6.467 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -120.454-110.457 6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -118.268-110.742 7.205 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -118.341-109.064 7.703 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -118.006-110.620 9.701 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -119.477-110.874 10.647 1.00 0.00 H new ATOM 211 N SER A 47 -119.007-106.840 5.201 1.00 0.00 N ATOM 212 CA SER A 47 -118.518-105.475 5.285 1.00 0.00 C ATOM 213 C SER A 47 -118.868-104.831 6.616 1.00 0.00 C ATOM 214 O SER A 47 -119.993-104.920 7.107 1.00 0.00 O ATOM 215 CB SER A 47 -119.153-104.574 4.195 1.00 0.00 C ATOM 216 OG SER A 47 -118.960-105.136 2.907 1.00 0.00 O ATOM 0 H SER A 47 -120.015-106.897 5.344 1.00 0.00 H new ATOM 0 HA SER A 47 -117.438-105.547 5.158 1.00 0.00 H new ATOM 0 HB2 SER A 47 -120.219-104.455 4.390 1.00 0.00 H new ATOM 0 HB3 SER A 47 -118.709-103.579 4.234 1.00 0.00 H new ATOM 0 HG SER A 47 -118.003-105.279 2.753 1.00 0.00 H new ATOM 222 N TYR A 48 -117.893-104.092 7.192 1.00 0.00 N ATOM 223 CA TYR A 48 -118.078-103.192 8.310 1.00 0.00 C ATOM 224 C TYR A 48 -117.556-101.907 7.703 1.00 0.00 C ATOM 225 O TYR A 48 -116.391-101.853 7.304 1.00 0.00 O ATOM 226 CB TYR A 48 -117.291-103.680 9.558 1.00 0.00 C ATOM 227 CG TYR A 48 -117.501-102.892 10.822 1.00 0.00 C ATOM 228 CD1 TYR A 48 -118.765-102.542 11.256 1.00 0.00 C ATOM 229 CD2 TYR A 48 -116.418-102.615 11.637 1.00 0.00 C ATOM 230 CE1 TYR A 48 -118.942-101.966 12.497 1.00 0.00 C ATOM 231 CE2 TYR A 48 -116.595-102.052 12.884 1.00 0.00 C ATOM 232 CZ TYR A 48 -117.860-101.730 13.317 1.00 0.00 C ATOM 233 OH TYR A 48 -118.041-101.174 14.599 1.00 0.00 O ATOM 0 H TYR A 48 -116.927-104.120 6.865 1.00 0.00 H new ATOM 0 HA TYR A 48 -119.094-103.102 8.694 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -117.563-104.718 9.751 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -116.228-103.669 9.319 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -119.620-102.720 10.620 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -115.420-102.843 11.292 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -119.935-101.698 12.828 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -115.742-101.864 13.519 1.00 0.00 H new ATOM 0 HH TYR A 48 -117.171-101.077 15.039 1.00 0.00 H new ATOM 431 N TRP A 62 -123.218-102.535 9.525 1.00 0.00 N ATOM 432 CA TRP A 62 -122.855-103.869 9.088 1.00 0.00 C ATOM 433 C TRP A 62 -123.760-104.353 7.935 1.00 0.00 C ATOM 434 O TRP A 62 -124.985-104.221 8.001 1.00 0.00 O ATOM 435 CB TRP A 62 -123.069-104.804 10.319 1.00 0.00 C ATOM 436 CG TRP A 62 -121.991-104.713 11.389 1.00 0.00 C ATOM 437 CD1 TRP A 62 -121.960-104.156 12.641 1.00 0.00 C ATOM 438 CD2 TRP A 62 -120.755-105.415 11.240 1.00 0.00 C ATOM 439 NE1 TRP A 62 -120.785-104.481 13.275 1.00 0.00 N ATOM 440 CE2 TRP A 62 -120.052-105.265 12.426 1.00 0.00 C ATOM 441 CE3 TRP A 62 -120.260-106.140 10.199 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -118.850-105.852 12.599 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -119.073-106.815 10.404 1.00 0.00 C ATOM 444 CH2 TRP A 62 -118.384-106.683 11.602 1.00 0.00 C ATOM 0 HA TRP A 62 -121.827-103.877 8.726 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -124.031-104.568 10.773 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -123.126-105.834 9.968 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -122.745-103.550 13.067 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -120.508-104.190 14.212 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -120.775-106.185 9.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -118.269-105.676 13.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -118.677-107.451 9.626 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -117.471-107.239 11.755 1.00 0.00 H new ATOM 455 N VAL A 63 -123.166-104.957 6.861 1.00 0.00 N ATOM 456 CA VAL A 63 -123.872-105.556 5.717 1.00 0.00 C ATOM 457 C VAL A 63 -123.090-106.808 5.292 1.00 0.00 C ATOM 458 O VAL A 63 -121.904-106.941 5.609 1.00 0.00 O ATOM 459 CB VAL A 63 -124.142-104.615 4.515 1.00 0.00 C ATOM 460 CG1 VAL A 63 -125.048-103.434 4.931 1.00 0.00 C ATOM 461 CG2 VAL A 63 -122.848-104.067 3.878 1.00 0.00 C ATOM 0 H VAL A 63 -122.152-105.035 6.779 1.00 0.00 H new ATOM 0 HA VAL A 63 -124.878-105.802 6.056 1.00 0.00 H new ATOM 0 HB VAL A 63 -124.648-105.223 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -125.222-102.789 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -126.001-103.817 5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -124.561-102.862 5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -123.102-103.415 3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -122.287-103.501 4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -122.239-104.897 3.519 1.00 0.00 H new ATOM 471 N ASP A 64 -123.723-107.757 4.533 1.00 0.00 N ATOM 472 CA ASP A 64 -123.122-109.000 4.021 1.00 0.00 C ATOM 473 C ASP A 64 -122.811-108.852 2.526 1.00 0.00 C ATOM 474 O ASP A 64 -123.598-108.252 1.798 1.00 0.00 O ATOM 475 CB ASP A 64 -124.069-110.216 4.279 1.00 0.00 C ATOM 476 CG ASP A 64 -123.364-111.568 4.099 1.00 0.00 C ATOM 477 OD1 ASP A 64 -122.379-111.814 4.842 1.00 0.00 O ATOM 478 OD2 ASP A 64 -123.798-112.359 3.220 1.00 0.00 O ATOM 0 H ASP A 64 -124.701-107.659 4.260 1.00 0.00 H new ATOM 0 HA ASP A 64 -122.189-109.187 4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -124.468-110.151 5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -124.918-110.161 3.598 1.00 0.00 H new ATOM 483 N GLU A 65 -121.641-109.369 2.044 1.00 0.00 N ATOM 484 CA GLU A 65 -121.184-109.175 0.669 1.00 0.00 C ATOM 485 C GLU A 65 -121.470-110.357 -0.244 1.00 0.00 C ATOM 486 O GLU A 65 -122.173-110.214 -1.244 1.00 0.00 O ATOM 487 CB GLU A 65 -119.679-108.770 0.648 1.00 0.00 C ATOM 488 CG GLU A 65 -119.226-108.024 -0.624 1.00 0.00 C ATOM 489 CD GLU A 65 -119.957-106.690 -0.783 1.00 0.00 C ATOM 490 OE1 GLU A 65 -119.782-105.802 0.091 1.00 0.00 O ATOM 491 OE2 GLU A 65 -120.703-106.543 -1.789 1.00 0.00 O ATOM 0 H GLU A 65 -121.004-109.928 2.611 1.00 0.00 H new ATOM 0 HA GLU A 65 -121.771-108.354 0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -119.475-108.140 1.514 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -119.074-109.670 0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -118.151-107.848 -0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -119.411-108.648 -1.498 1.00 0.00 H new ATOM 498 N PHE A 66 -120.911-111.551 0.074 1.00 0.00 N ATOM 499 CA PHE A 66 -121.068-112.750 -0.727 1.00 0.00 C ATOM 500 C PHE A 66 -120.634-113.929 0.127 1.00 0.00 C ATOM 501 O PHE A 66 -120.074-113.786 1.220 1.00 0.00 O ATOM 502 CB PHE A 66 -120.339-112.723 -2.134 1.00 0.00 C ATOM 503 CG PHE A 66 -118.830-112.631 -2.056 1.00 0.00 C ATOM 504 CD1 PHE A 66 -118.225-111.452 -1.693 1.00 0.00 C ATOM 505 CD2 PHE A 66 -118.031-113.738 -2.254 1.00 0.00 C ATOM 506 CE1 PHE A 66 -116.886-111.388 -1.396 1.00 0.00 C ATOM 507 CE2 PHE A 66 -116.678-113.681 -1.985 1.00 0.00 C ATOM 508 CZ PHE A 66 -116.101-112.511 -1.522 1.00 0.00 C ATOM 0 H PHE A 66 -120.337-111.690 0.905 1.00 0.00 H new ATOM 0 HA PHE A 66 -122.118-112.833 -1.006 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -120.608-113.624 -2.686 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -120.713-111.875 -2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -118.819-110.551 -1.640 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -118.467-114.655 -2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -116.450-110.458 -1.064 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -116.065-114.557 -2.137 1.00 0.00 H new ATOM 0 HZ PHE A 66 -115.053-112.480 -1.264 1.00 0.00 H new ATOM 518 N THR A 67 -120.854-115.148 -0.403 1.00 0.00 N ATOM 519 CA THR A 67 -120.463-116.410 0.203 1.00 0.00 C ATOM 520 C THR A 67 -119.743-117.146 -0.900 1.00 0.00 C ATOM 521 O THR A 67 -120.195-117.188 -2.046 1.00 0.00 O ATOM 522 CB THR A 67 -121.623-117.231 0.787 1.00 0.00 C ATOM 523 OG1 THR A 67 -122.822-117.109 0.029 1.00 0.00 O ATOM 524 CG2 THR A 67 -121.914-116.700 2.198 1.00 0.00 C ATOM 0 H THR A 67 -121.327-115.272 -1.298 1.00 0.00 H new ATOM 0 HA THR A 67 -119.839-116.234 1.079 1.00 0.00 H new ATOM 0 HB THR A 67 -121.323-118.279 0.780 1.00 0.00 H new ATOM 0 HG1 THR A 67 -123.526-117.651 0.442 1.00 0.00 H new ATOM 0 HG21 THR A 67 -122.735-117.266 2.638 1.00 0.00 H new ATOM 0 HG22 THR A 67 -121.025-116.810 2.819 1.00 0.00 H new ATOM 0 HG23 THR A 67 -122.189-115.647 2.141 1.00 0.00 H new ATOM 532 N ALA A 68 -118.571-117.720 -0.568 1.00 0.00 N ATOM 533 CA ALA A 68 -117.756-118.394 -1.573 1.00 0.00 C ATOM 534 C ALA A 68 -116.936-119.558 -1.050 1.00 0.00 C ATOM 535 O ALA A 68 -116.672-119.719 0.144 1.00 0.00 O ATOM 536 CB ALA A 68 -116.822-117.389 -2.303 1.00 0.00 C ATOM 0 H ALA A 68 -118.180-117.727 0.374 1.00 0.00 H new ATOM 0 HA ALA A 68 -118.478-118.817 -2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -116.227-117.919 -3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -117.424-116.626 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -116.160-116.915 -1.578 1.00 0.00 H new ATOM 542 N ALA A 69 -116.449-120.390 -2.024 1.00 0.00 N ATOM 543 CA ALA A 69 -115.440-121.410 -1.810 1.00 0.00 C ATOM 544 C ALA A 69 -114.134-120.659 -2.078 1.00 0.00 C ATOM 545 O ALA A 69 -113.858-120.166 -3.176 1.00 0.00 O ATOM 546 CB ALA A 69 -115.648-122.597 -2.776 1.00 0.00 C ATOM 0 H ALA A 69 -116.772-120.347 -2.991 1.00 0.00 H new ATOM 0 HA ALA A 69 -115.464-121.856 -0.816 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -114.880-123.350 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.632-123.035 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -115.579-122.245 -3.805 1.00 0.00 H new ATOM 552 N ALA A 70 -113.350-120.490 -0.994 1.00 0.00 N ATOM 553 CA ALA A 70 -112.244-119.563 -1.023 1.00 0.00 C ATOM 554 C ALA A 70 -111.202-119.908 0.018 1.00 0.00 C ATOM 555 O ALA A 70 -111.428-120.717 0.921 1.00 0.00 O ATOM 556 CB ALA A 70 -112.827-118.154 -0.727 1.00 0.00 C ATOM 0 H ALA A 70 -113.474-120.983 -0.110 1.00 0.00 H new ATOM 0 HA ALA A 70 -111.754-119.603 -1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -112.023-117.418 -0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -113.565-117.898 -1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -113.303-118.156 0.254 1.00 0.00 H new ATOM 562 N HIS A 71 -110.030-119.235 -0.085 1.00 0.00 N ATOM 563 CA HIS A 71 -108.946-119.347 0.860 1.00 0.00 C ATOM 564 C HIS A 71 -108.457-117.964 1.173 1.00 0.00 C ATOM 565 O HIS A 71 -107.828-117.338 0.324 1.00 0.00 O ATOM 566 CB HIS A 71 -107.768-120.164 0.272 1.00 0.00 C ATOM 567 CG HIS A 71 -106.565-120.350 1.175 1.00 0.00 C ATOM 568 ND1 HIS A 71 -105.320-120.670 0.683 1.00 0.00 N ATOM 569 CD2 HIS A 71 -106.441-120.361 2.536 1.00 0.00 C ATOM 570 CE1 HIS A 71 -104.514-120.869 1.755 1.00 0.00 C ATOM 571 NE2 HIS A 71 -105.150-120.706 2.898 1.00 0.00 N ATOM 0 H HIS A 71 -109.830-118.592 -0.851 1.00 0.00 H new ATOM 0 HA HIS A 71 -109.308-119.858 1.753 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -108.141-121.149 -0.009 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -107.436-119.676 -0.644 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -107.236-120.133 3.230 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -103.469-121.131 1.681 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -104.774-120.811 3.840 1.00 0.00 H new ATOM 579 N VAL A 72 -108.691-117.481 2.426 1.00 0.00 N ATOM 580 CA VAL A 72 -108.146-116.234 2.967 1.00 0.00 C ATOM 581 C VAL A 72 -107.162-116.771 4.030 1.00 0.00 C ATOM 582 O VAL A 72 -107.545-117.565 4.892 1.00 0.00 O ATOM 583 CB VAL A 72 -109.206-115.236 3.542 1.00 0.00 C ATOM 584 CG1 VAL A 72 -108.553-114.198 4.473 1.00 0.00 C ATOM 585 CG2 VAL A 72 -110.009-114.345 2.550 1.00 0.00 C ATOM 0 H VAL A 72 -109.283-117.974 3.095 1.00 0.00 H new ATOM 0 HA VAL A 72 -107.686-115.608 2.202 1.00 0.00 H new ATOM 0 HB VAL A 72 -109.889-115.946 4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -109.317-113.520 4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -108.071-114.709 5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -107.808-113.629 3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -110.700-113.712 3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -109.320-113.719 1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -110.571-114.979 1.864 1.00 0.00 H new ATOM 595 N GLN A 73 -105.863-116.361 3.968 1.00 0.00 N ATOM 596 CA GLN A 73 -104.804-116.767 4.894 1.00 0.00 C ATOM 597 C GLN A 73 -104.018-115.526 5.328 1.00 0.00 C ATOM 598 O GLN A 73 -103.806-114.668 4.467 1.00 0.00 O ATOM 599 CB GLN A 73 -103.844-117.773 4.184 1.00 0.00 C ATOM 600 CG GLN A 73 -102.650-118.311 5.022 1.00 0.00 C ATOM 601 CD GLN A 73 -102.025-119.602 4.464 1.00 0.00 C ATOM 602 OE1 GLN A 73 -101.858-120.585 5.197 1.00 0.00 O ATOM 603 NE2 GLN A 73 -101.636-119.610 3.164 1.00 0.00 N ATOM 0 H GLN A 73 -105.531-115.721 3.246 1.00 0.00 H new ATOM 0 HA GLN A 73 -105.244-117.249 5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -104.434-118.625 3.846 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -103.443-117.290 3.293 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -101.881-117.541 5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -102.989-118.495 6.042 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -101.786-118.786 2.582 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -101.194-120.440 2.769 1.00 0.00 H new ATOM 612 N PRO A 74 -103.599-115.317 6.617 1.00 0.00 N ATOM 613 CA PRO A 74 -102.689-114.239 7.045 1.00 0.00 C ATOM 614 C PRO A 74 -101.227-114.467 6.587 1.00 0.00 C ATOM 615 O PRO A 74 -100.830-115.611 6.368 1.00 0.00 O ATOM 616 CB PRO A 74 -102.836-114.246 8.584 1.00 0.00 C ATOM 617 CG PRO A 74 -103.192-115.687 8.960 1.00 0.00 C ATOM 618 CD PRO A 74 -103.956-116.201 7.733 1.00 0.00 C ATOM 0 HA PRO A 74 -102.941-113.277 6.599 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -101.910-113.933 9.067 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -103.614-113.554 8.906 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -102.300-116.282 9.156 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -103.805-115.727 9.860 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -103.685-117.233 7.512 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -105.031-116.185 7.911 1.00 0.00 H new ATOM 626 N ILE A 75 -100.407-113.389 6.441 1.00 0.00 N ATOM 627 CA ILE A 75 -99.000-113.403 5.993 1.00 0.00 C ATOM 628 C ILE A 75 -97.979-114.156 6.860 1.00 0.00 C ATOM 629 O ILE A 75 -97.015-114.738 6.365 1.00 0.00 O ATOM 630 CB ILE A 75 -98.527-111.972 5.692 1.00 0.00 C ATOM 631 CG1 ILE A 75 -97.327-111.917 4.717 1.00 0.00 C ATOM 632 CG2 ILE A 75 -98.292-111.126 6.972 1.00 0.00 C ATOM 633 CD1 ILE A 75 -97.148-110.538 4.072 1.00 0.00 C ATOM 0 H ILE A 75 -100.733-112.444 6.645 1.00 0.00 H new ATOM 0 HA ILE A 75 -99.026-114.010 5.088 1.00 0.00 H new ATOM 0 HB ILE A 75 -99.359-111.501 5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -96.416-112.183 5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -97.466-112.664 3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -97.959-110.127 6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -99.222-111.054 7.536 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -97.530-111.602 7.588 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -96.291-110.560 3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -98.045-110.280 3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -96.980-109.792 4.849 1.00 0.00 H new ATOM 894 N GLY A 91 -101.188-108.133 7.507 1.00 0.00 N ATOM 895 CA GLY A 91 -101.251-108.469 6.092 1.00 0.00 C ATOM 896 C GLY A 91 -101.896-109.801 5.849 1.00 0.00 C ATOM 897 O GLY A 91 -101.701-110.783 6.575 1.00 0.00 O ATOM 0 HA2 GLY A 91 -101.808-107.696 5.562 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -100.243-108.475 5.678 1.00 0.00 H new ATOM 901 N TYR A 92 -102.684-109.855 4.746 1.00 0.00 N ATOM 902 CA TYR A 92 -103.383-111.041 4.278 1.00 0.00 C ATOM 903 C TYR A 92 -103.051-111.296 2.835 1.00 0.00 C ATOM 904 O TYR A 92 -102.848-110.399 2.009 1.00 0.00 O ATOM 905 CB TYR A 92 -104.941-111.048 4.412 1.00 0.00 C ATOM 906 CG TYR A 92 -105.319-111.454 5.806 1.00 0.00 C ATOM 907 CD1 TYR A 92 -105.107-110.677 6.928 1.00 0.00 C ATOM 908 CD2 TYR A 92 -105.870-112.700 5.976 1.00 0.00 C ATOM 909 CE1 TYR A 92 -105.439-111.156 8.180 1.00 0.00 C ATOM 910 CE2 TYR A 92 -106.223-113.174 7.213 1.00 0.00 C ATOM 911 CZ TYR A 92 -106.036-112.394 8.332 1.00 0.00 C ATOM 912 OH TYR A 92 -106.398-112.863 9.618 1.00 0.00 O ATOM 0 H TYR A 92 -102.844-109.041 4.152 1.00 0.00 H new ATOM 0 HA TYR A 92 -103.025-111.821 4.950 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -105.341-110.059 4.188 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -105.376-111.739 3.690 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -104.680-109.690 6.826 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -106.030-113.325 5.110 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -105.229-110.555 9.053 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -106.649-114.162 7.310 1.00 0.00 H new ATOM 0 HH TYR A 92 -106.616-112.101 10.195 1.00 0.00 H new ATOM 922 N ASN A 93 -103.055-112.619 2.550 1.00 0.00 N ATOM 923 CA ASN A 93 -102.849-113.192 1.231 1.00 0.00 C ATOM 924 C ASN A 93 -104.053-114.074 0.918 1.00 0.00 C ATOM 925 O ASN A 93 -104.464-114.908 1.726 1.00 0.00 O ATOM 926 CB ASN A 93 -101.560-114.060 1.188 1.00 0.00 C ATOM 927 CG ASN A 93 -100.362-113.291 1.743 1.00 0.00 C ATOM 928 OD1 ASN A 93 -99.757-113.734 2.721 1.00 0.00 O ATOM 929 ND2 ASN A 93 -99.971-112.159 1.110 1.00 0.00 N ATOM 0 H ASN A 93 -103.208-113.328 3.268 1.00 0.00 H new ATOM 0 HA ASN A 93 -102.739-112.390 0.501 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -101.712-114.971 1.767 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -101.357-114.365 0.161 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -99.153-111.646 1.440 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -100.494-111.819 0.303 1.00 0.00 H new ATOM 936 N ILE A 94 -104.676-113.929 -0.274 1.00 0.00 N ATOM 937 CA ILE A 94 -105.842-114.727 -0.641 1.00 0.00 C ATOM 938 C ILE A 94 -105.832-115.093 -2.114 1.00 0.00 C ATOM 939 O ILE A 94 -105.411-114.322 -2.982 1.00 0.00 O ATOM 940 CB ILE A 94 -107.170-114.071 -0.177 1.00 0.00 C ATOM 941 CG1 ILE A 94 -108.498-114.459 -0.904 1.00 0.00 C ATOM 942 CG2 ILE A 94 -107.031-112.549 0.000 1.00 0.00 C ATOM 943 CD1 ILE A 94 -108.834-113.667 -2.172 1.00 0.00 C ATOM 0 H ILE A 94 -104.382-113.264 -0.990 1.00 0.00 H new ATOM 0 HA ILE A 94 -105.777-115.669 -0.097 1.00 0.00 H new ATOM 0 HB ILE A 94 -107.314-114.547 0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -108.449-115.516 -1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -109.321-114.341 -0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -107.984-112.132 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -106.268-112.338 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -106.742-112.097 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -109.776-114.026 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -108.925-112.609 -1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -108.040-113.802 -2.906 1.00 0.00 H new ATOM 955 N TYR A 95 -106.390-116.309 -2.405 1.00 0.00 N ATOM 956 CA TYR A 95 -106.717-116.821 -3.728 1.00 0.00 C ATOM 957 C TYR A 95 -108.190-117.278 -3.624 1.00 0.00 C ATOM 958 O TYR A 95 -108.580-117.974 -2.679 1.00 0.00 O ATOM 959 CB TYR A 95 -105.687-117.885 -4.301 1.00 0.00 C ATOM 960 CG TYR A 95 -106.048-119.350 -4.115 1.00 0.00 C ATOM 961 CD1 TYR A 95 -106.964-119.910 -4.989 1.00 0.00 C ATOM 962 CD2 TYR A 95 -105.625-120.089 -3.021 1.00 0.00 C ATOM 963 CE1 TYR A 95 -107.597-121.087 -4.674 1.00 0.00 C ATOM 964 CE2 TYR A 95 -106.233-121.301 -2.726 1.00 0.00 C ATOM 965 CZ TYR A 95 -107.267-121.753 -3.521 1.00 0.00 C ATOM 966 OH TYR A 95 -108.051-122.863 -3.165 1.00 0.00 O ATOM 0 H TYR A 95 -106.627-116.974 -1.669 1.00 0.00 H new ATOM 0 HA TYR A 95 -106.618-116.054 -4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -105.562-117.698 -5.367 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -104.719-117.710 -3.831 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -107.182-119.418 -5.925 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -104.823-119.722 -2.399 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -108.353-121.488 -5.333 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -105.900-121.886 -1.881 1.00 0.00 H new ATOM 0 HH TYR A 95 -107.713-123.247 -2.329 1.00 0.00 H new ATOM 976 N THR A 96 -109.058-116.894 -4.597 1.00 0.00 N ATOM 977 CA THR A 96 -110.446-117.366 -4.704 1.00 0.00 C ATOM 978 C THR A 96 -110.617-117.588 -6.194 1.00 0.00 C ATOM 979 O THR A 96 -110.033-116.786 -6.937 1.00 0.00 O ATOM 980 CB THR A 96 -111.484-116.377 -4.145 1.00 0.00 C ATOM 981 OG1 THR A 96 -111.158-116.104 -2.797 1.00 0.00 O ATOM 982 CG2 THR A 96 -112.919-116.933 -4.120 1.00 0.00 C ATOM 0 H THR A 96 -108.800-116.238 -5.335 1.00 0.00 H new ATOM 0 HA THR A 96 -110.618-118.261 -4.106 1.00 0.00 H new ATOM 0 HB THR A 96 -111.455-115.505 -4.798 1.00 0.00 H new ATOM 0 HG1 THR A 96 -111.890-115.605 -2.378 1.00 0.00 H new ATOM 0 HG21 THR A 96 -113.594-116.180 -3.714 1.00 0.00 H new ATOM 0 HG22 THR A 96 -113.228-117.188 -5.134 1.00 0.00 H new ATOM 0 HG23 THR A 96 -112.953-117.825 -3.495 1.00 0.00 H new ATOM 990 N PRO A 97 -111.338-118.600 -6.779 1.00 0.00 N ATOM 991 CA PRO A 97 -111.544-118.702 -8.236 1.00 0.00 C ATOM 992 C PRO A 97 -112.494-117.572 -8.682 1.00 0.00 C ATOM 993 O PRO A 97 -113.566-117.406 -8.100 1.00 0.00 O ATOM 994 CB PRO A 97 -112.145-120.116 -8.403 1.00 0.00 C ATOM 995 CG PRO A 97 -112.888-120.377 -7.086 1.00 0.00 C ATOM 996 CD PRO A 97 -111.980-119.698 -6.055 1.00 0.00 C ATOM 0 HA PRO A 97 -110.649-118.585 -8.847 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -112.822-120.161 -9.256 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -111.367-120.860 -8.574 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -113.889-119.946 -7.092 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -113.001-121.443 -6.888 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -112.555-119.328 -5.206 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -111.241-120.395 -5.660 1.00 0.00 H new ATOM 1004 N TYR A 98 -112.016-116.761 -9.659 1.00 0.00 N ATOM 1005 CA TYR A 98 -112.473-115.503 -10.246 1.00 0.00 C ATOM 1006 C TYR A 98 -113.239-114.461 -9.391 1.00 0.00 C ATOM 1007 O TYR A 98 -113.899-113.570 -9.913 1.00 0.00 O ATOM 1008 CB TYR A 98 -113.065-115.741 -11.667 1.00 0.00 C ATOM 1009 CG TYR A 98 -112.813-114.576 -12.605 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -111.533-114.236 -13.031 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -113.880-113.794 -13.018 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -111.344-113.153 -13.865 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -113.683-112.702 -13.838 1.00 0.00 C ATOM 1014 CZ TYR A 98 -112.417-112.396 -14.277 1.00 0.00 C ATOM 1015 OH TYR A 98 -112.222-111.319 -15.163 1.00 0.00 O ATOM 0 H TYR A 98 -111.150-117.039 -10.122 1.00 0.00 H new ATOM 0 HA TYR A 98 -111.543-114.938 -10.314 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -112.629-116.646 -12.091 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -114.138-115.912 -11.586 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -110.685-114.821 -12.708 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -114.880-114.043 -12.693 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -110.348-112.898 -14.196 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -114.522-112.089 -14.134 1.00 0.00 H new ATOM 0 HH TYR A 98 -113.083-110.891 -15.353 1.00 0.00 H new ATOM 1025 N ASP A 99 -113.154-114.511 -8.037 1.00 0.00 N ATOM 1026 CA ASP A 99 -113.819-113.569 -7.133 1.00 0.00 C ATOM 1027 C ASP A 99 -112.811-112.502 -6.715 1.00 0.00 C ATOM 1028 O ASP A 99 -111.724-112.828 -6.253 1.00 0.00 O ATOM 1029 CB ASP A 99 -114.441-114.307 -5.909 1.00 0.00 C ATOM 1030 CG ASP A 99 -115.652-113.568 -5.325 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -115.464-112.452 -4.775 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -116.781-114.119 -5.421 1.00 0.00 O ATOM 0 H ASP A 99 -112.611-115.222 -7.547 1.00 0.00 H new ATOM 0 HA ASP A 99 -114.650-113.085 -7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -114.743-115.310 -6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -113.682-114.421 -5.135 1.00 0.00 H new ATOM 1037 N ASP A 100 -113.152-111.206 -6.909 1.00 0.00 N ATOM 1038 CA ASP A 100 -112.293-110.037 -6.684 1.00 0.00 C ATOM 1039 C ASP A 100 -112.781-109.167 -5.519 1.00 0.00 C ATOM 1040 O ASP A 100 -112.371-108.019 -5.349 1.00 0.00 O ATOM 1041 CB ASP A 100 -112.236-109.141 -7.967 1.00 0.00 C ATOM 1042 CG ASP A 100 -111.651-109.888 -9.176 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -112.353-110.767 -9.743 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -110.496-109.567 -9.565 1.00 0.00 O ATOM 0 H ASP A 100 -114.079-110.943 -7.243 1.00 0.00 H new ATOM 0 HA ASP A 100 -111.305-110.428 -6.441 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -113.240-108.793 -8.209 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -111.633-108.256 -7.763 1.00 0.00 H new ATOM 1049 N ARG A 101 -113.713-109.690 -4.699 1.00 0.00 N ATOM 1050 CA ARG A 101 -114.421-108.935 -3.679 1.00 0.00 C ATOM 1051 C ARG A 101 -113.965-109.101 -2.218 1.00 0.00 C ATOM 1052 O ARG A 101 -114.498-108.430 -1.342 1.00 0.00 O ATOM 1053 CB ARG A 101 -115.927-109.244 -3.910 1.00 0.00 C ATOM 1054 CG ARG A 101 -116.945-108.213 -3.395 1.00 0.00 C ATOM 1055 CD ARG A 101 -116.861-106.859 -4.117 1.00 0.00 C ATOM 1056 NE ARG A 101 -117.987-105.990 -3.630 1.00 0.00 N ATOM 1057 CZ ARG A 101 -118.121-104.671 -3.975 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -117.213-104.065 -4.794 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -119.175-103.956 -3.486 1.00 0.00 N ATOM 0 H ARG A 101 -113.991-110.670 -4.738 1.00 0.00 H new ATOM 0 HA ARG A 101 -114.184-107.879 -3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -116.085-109.369 -4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -116.151-110.202 -3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -117.951-108.617 -3.512 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -116.786-108.058 -2.328 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -115.901-106.382 -3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -116.930-107.000 -5.196 1.00 0.00 H new ATOM 0 HE ARG A 101 -118.686-106.403 -3.012 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -116.421-104.595 -5.158 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -117.326-103.082 -5.042 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -119.853-104.404 -2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -119.285-102.973 -3.736 1.00 0.00 H new ATOM 1073 N ILE A 102 -112.961-109.975 -1.870 1.00 0.00 N ATOM 1074 CA ILE A 102 -112.412-110.237 -0.554 1.00 0.00 C ATOM 1075 C ILE A 102 -111.722-109.029 0.101 1.00 0.00 C ATOM 1076 O ILE A 102 -112.236-108.483 1.068 1.00 0.00 O ATOM 1077 CB ILE A 102 -111.462-111.431 -0.681 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -112.139-112.721 -1.247 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -110.851-111.760 0.696 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -112.504-112.787 -2.740 1.00 0.00 C ATOM 0 H ILE A 102 -112.500-110.543 -2.581 1.00 0.00 H new ATOM 0 HA ILE A 102 -113.238-110.460 0.121 1.00 0.00 H new ATOM 0 HB ILE A 102 -110.696-111.129 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -111.475-113.559 -1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -113.054-112.887 -0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -110.176-112.610 0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -110.297-110.896 1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -111.648-112.006 1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -112.964-113.750 -2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -113.205-111.987 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -111.602-112.670 -3.341 1.00 0.00 H new ATOM 1092 N ASP A 103 -110.546-108.582 -0.424 1.00 0.00 N ATOM 1093 CA ASP A 103 -109.858-107.383 0.068 1.00 0.00 C ATOM 1094 C ASP A 103 -110.013-106.250 -0.933 1.00 0.00 C ATOM 1095 O ASP A 103 -109.394-106.262 -1.997 1.00 0.00 O ATOM 1096 CB ASP A 103 -108.318-107.562 0.242 1.00 0.00 C ATOM 1097 CG ASP A 103 -107.969-108.883 0.921 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -108.563-109.179 1.983 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -107.086-109.602 0.386 1.00 0.00 O ATOM 0 H ASP A 103 -110.063-109.047 -1.193 1.00 0.00 H new ATOM 0 HA ASP A 103 -110.315-107.178 1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -107.835-107.518 -0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -107.921-106.735 0.832 1.00 0.00 H new ATOM 1104 N LYS A 104 -110.785-105.217 -0.534 1.00 0.00 N ATOM 1105 CA LYS A 104 -111.081-104.019 -1.309 1.00 0.00 C ATOM 1106 C LYS A 104 -112.022-103.212 -0.430 1.00 0.00 C ATOM 1107 O LYS A 104 -113.042-102.693 -0.867 1.00 0.00 O ATOM 1108 CB LYS A 104 -111.734-104.303 -2.706 1.00 0.00 C ATOM 1109 CG LYS A 104 -111.722-103.119 -3.695 1.00 0.00 C ATOM 1110 CD LYS A 104 -110.307-102.702 -4.124 1.00 0.00 C ATOM 1111 CE LYS A 104 -110.272-101.665 -5.257 1.00 0.00 C ATOM 1112 NZ LYS A 104 -110.823-102.221 -6.515 1.00 0.00 N ATOM 0 H LYS A 104 -111.234-105.207 0.382 1.00 0.00 H new ATOM 0 HA LYS A 104 -110.157-103.495 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -111.215-105.144 -3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -112.767-104.613 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -112.298-103.388 -4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -112.222-102.266 -3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -109.782-102.296 -3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -109.760-103.589 -4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -110.845-100.785 -4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -109.245-101.337 -5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -110.603-101.580 -7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -110.399-103.153 -6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -111.854-102.321 -6.428 1.00 0.00 H new ATOM 1126 N LYS A 105 -111.697-103.146 0.896 1.00 0.00 N ATOM 1127 CA LYS A 105 -112.461-102.525 1.983 1.00 0.00 C ATOM 1128 C LYS A 105 -113.600-103.444 2.439 1.00 0.00 C ATOM 1129 O LYS A 105 -114.757-103.299 2.047 1.00 0.00 O ATOM 1130 CB LYS A 105 -112.895-101.046 1.723 1.00 0.00 C ATOM 1131 CG LYS A 105 -112.907-100.120 2.961 1.00 0.00 C ATOM 1132 CD LYS A 105 -114.135-100.254 3.878 1.00 0.00 C ATOM 1133 CE LYS A 105 -114.124 -99.285 5.071 1.00 0.00 C ATOM 1134 NZ LYS A 105 -113.014 -99.587 6.006 1.00 0.00 N ATOM 0 H LYS A 105 -110.830-103.559 1.240 1.00 0.00 H new ATOM 0 HA LYS A 105 -111.774-102.419 2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -112.225-100.616 0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -113.894-101.052 1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -112.012-100.319 3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -112.841 -99.087 2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -115.037-100.082 3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -114.188-101.276 4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -114.028 -98.261 4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -115.075 -99.348 5.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -113.086 -98.971 6.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -113.072-100.582 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -112.104 -99.421 5.530 1.00 0.00 H new ATOM 1148 N MET A 106 -113.277-104.460 3.278 1.00 0.00 N ATOM 1149 CA MET A 106 -114.222-105.453 3.772 1.00 0.00 C ATOM 1150 C MET A 106 -113.797-105.871 5.172 1.00 0.00 C ATOM 1151 O MET A 106 -112.712-105.529 5.657 1.00 0.00 O ATOM 1152 CB MET A 106 -114.290-106.748 2.894 1.00 0.00 C ATOM 1153 CG MET A 106 -114.714-106.559 1.421 1.00 0.00 C ATOM 1154 SD MET A 106 -116.444-106.084 1.162 1.00 0.00 S ATOM 1155 CE MET A 106 -116.222-105.505 -0.546 1.00 0.00 C ATOM 0 H MET A 106 -112.329-104.601 3.628 1.00 0.00 H new ATOM 0 HA MET A 106 -115.206-104.985 3.749 1.00 0.00 H new ATOM 0 HB2 MET A 106 -113.309-107.222 2.909 1.00 0.00 H new ATOM 0 HB3 MET A 106 -114.987-107.443 3.363 1.00 0.00 H new ATOM 0 HG2 MET A 106 -114.075-105.798 0.972 1.00 0.00 H new ATOM 0 HG3 MET A 106 -114.527-107.489 0.885 1.00 0.00 H new ATOM 0 HE1 MET A 106 -117.151-105.639 -1.099 1.00 0.00 H new ATOM 0 HE2 MET A 106 -115.953-104.449 -0.540 1.00 0.00 H new ATOM 0 HE3 MET A 106 -115.429-106.079 -1.025 1.00 0.00 H new ATOM 1165 N ARG A 107 -114.670-106.689 5.815 1.00 0.00 N ATOM 1166 CA ARG A 107 -114.494-107.299 7.121 1.00 0.00 C ATOM 1167 C ARG A 107 -115.025-108.719 6.963 1.00 0.00 C ATOM 1168 O ARG A 107 -116.219-108.988 6.944 1.00 0.00 O ATOM 1169 CB ARG A 107 -115.189-106.506 8.265 1.00 0.00 C ATOM 1170 CG ARG A 107 -114.841-107.064 9.658 1.00 0.00 C ATOM 1171 CD ARG A 107 -114.871-106.033 10.793 1.00 0.00 C ATOM 1172 NE ARG A 107 -114.316-106.698 12.023 1.00 0.00 N ATOM 1173 CZ ARG A 107 -113.997-106.026 13.172 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -114.204-104.683 13.281 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -113.461-106.715 14.222 1.00 0.00 N ATOM 0 H ARG A 107 -115.563-106.944 5.394 1.00 0.00 H new ATOM 0 HA ARG A 107 -113.448-107.297 7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -114.892-105.459 8.211 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -116.269-106.538 8.122 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -115.539-107.866 9.897 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -113.847-107.509 9.617 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -114.278-105.157 10.531 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -115.890-105.688 10.970 1.00 0.00 H new ATOM 0 HE ARG A 107 -114.169-107.707 11.999 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -114.602-104.163 12.499 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -113.961-104.198 14.145 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -113.302-107.720 14.145 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -113.219-106.225 15.083 1.00 0.00 H new ATOM 1189 N VAL A 108 -114.172-109.733 6.747 1.00 0.00 N ATOM 1190 CA VAL A 108 -114.641-111.062 6.371 1.00 0.00 C ATOM 1191 C VAL A 108 -114.487-112.054 7.494 1.00 0.00 C ATOM 1192 O VAL A 108 -113.658-111.881 8.387 1.00 0.00 O ATOM 1193 CB VAL A 108 -113.912-111.533 5.117 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -114.125-110.506 3.982 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -112.403-111.671 5.369 1.00 0.00 C ATOM 0 H VAL A 108 -113.158-109.651 6.828 1.00 0.00 H new ATOM 0 HA VAL A 108 -115.708-110.995 6.157 1.00 0.00 H new ATOM 0 HB VAL A 108 -114.316-112.507 4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -113.604-110.842 3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -115.190-110.414 3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -113.731-109.537 4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -111.911-112.008 4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -111.994-110.705 5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -112.232-112.397 6.163 1.00 0.00 H new ATOM 1205 N ILE A 109 -115.261-113.167 7.444 1.00 0.00 N ATOM 1206 CA ILE A 109 -115.085-114.283 8.359 1.00 0.00 C ATOM 1207 C ILE A 109 -114.691-115.528 7.557 1.00 0.00 C ATOM 1208 O ILE A 109 -115.484-116.179 6.869 1.00 0.00 O ATOM 1209 CB ILE A 109 -116.266-114.465 9.328 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -116.098-115.707 10.244 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -117.640-114.418 8.623 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -117.028-115.674 11.460 1.00 0.00 C ATOM 0 H ILE A 109 -116.014-113.299 6.768 1.00 0.00 H new ATOM 0 HA ILE A 109 -114.261-114.070 9.041 1.00 0.00 H new ATOM 0 HB ILE A 109 -116.248-113.598 9.988 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -116.295-116.609 9.665 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -115.064-115.766 10.584 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -118.432-114.552 9.360 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -117.763-113.454 8.130 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -117.696-115.215 7.881 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -116.868-116.566 12.065 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -116.815-114.788 12.057 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -118.065-115.645 11.125 1.00 0.00 H new ATOM 1224 N TYR A 110 -113.390-115.922 7.678 1.00 0.00 N ATOM 1225 CA TYR A 110 -112.793-117.123 7.087 1.00 0.00 C ATOM 1226 C TYR A 110 -112.418-118.070 8.220 1.00 0.00 C ATOM 1227 O TYR A 110 -111.781-117.637 9.178 1.00 0.00 O ATOM 1228 CB TYR A 110 -111.641-116.896 6.044 1.00 0.00 C ATOM 1229 CG TYR A 110 -110.589-116.018 6.623 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -110.954-114.717 6.830 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -109.435-116.509 7.195 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -110.428-114.051 7.896 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -108.763-115.733 8.118 1.00 0.00 C ATOM 1234 CZ TYR A 110 -109.314-114.539 8.534 1.00 0.00 C ATOM 1235 OH TYR A 110 -108.850-113.888 9.689 1.00 0.00 O ATOM 0 H TYR A 110 -112.714-115.379 8.215 1.00 0.00 H new ATOM 0 HA TYR A 110 -113.551-117.576 6.448 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -111.208-117.854 5.756 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -112.045-116.443 5.138 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -111.646-114.226 6.161 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -109.062-117.486 6.925 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -110.888-113.137 8.240 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -107.812-116.059 8.512 1.00 0.00 H new ATOM 0 HH TYR A 110 -108.018-113.413 9.485 1.00 0.00 H new ATOM 1245 N ARG A 111 -112.841-119.369 8.178 1.00 0.00 N ATOM 1246 CA ARG A 111 -112.623-120.450 9.169 1.00 0.00 C ATOM 1247 C ARG A 111 -112.859-120.125 10.667 1.00 0.00 C ATOM 1248 O ARG A 111 -112.203-120.634 11.575 1.00 0.00 O ATOM 1249 CB ARG A 111 -111.230-121.117 8.940 1.00 0.00 C ATOM 1250 CG ARG A 111 -111.088-122.589 9.393 1.00 0.00 C ATOM 1251 CD ARG A 111 -111.979-123.577 8.618 1.00 0.00 C ATOM 1252 NE ARG A 111 -111.796-124.963 9.184 1.00 0.00 N ATOM 1253 CZ ARG A 111 -110.920-125.896 8.692 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -110.135-125.632 7.609 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -110.838-127.118 9.298 1.00 0.00 N ATOM 0 H ARG A 111 -113.386-119.706 7.384 1.00 0.00 H new ATOM 0 HA ARG A 111 -113.433-121.149 8.963 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -110.996-121.063 7.877 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -110.478-120.525 9.462 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -110.047-122.893 9.283 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -111.329-122.656 10.454 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -113.024-123.277 8.692 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -111.718-123.567 7.560 1.00 0.00 H new ATOM 0 HE ARG A 111 -112.364-125.225 9.990 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -110.192-124.725 7.147 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -109.491-126.342 7.261 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -111.424-127.327 10.106 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -110.191-127.821 8.942 1.00 0.00 H new ATOM 1269 N GLY A 112 -113.829-119.210 10.930 1.00 0.00 N ATOM 1270 CA GLY A 112 -114.195-118.688 12.246 1.00 0.00 C ATOM 1271 C GLY A 112 -113.486-117.424 12.693 1.00 0.00 C ATOM 1272 O GLY A 112 -113.746-116.964 13.802 1.00 0.00 O ATOM 0 H GLY A 112 -114.396-118.806 10.185 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -115.268-118.497 12.251 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -114.006-119.465 12.986 1.00 0.00 H new ATOM 1276 N LYS A 113 -112.567-116.837 11.878 1.00 0.00 N ATOM 1277 CA LYS A 113 -111.782-115.659 12.241 1.00 0.00 C ATOM 1278 C LYS A 113 -112.276-114.409 11.513 1.00 0.00 C ATOM 1279 O LYS A 113 -112.351-114.387 10.283 1.00 0.00 O ATOM 1280 CB LYS A 113 -110.277-115.918 11.954 1.00 0.00 C ATOM 1281 CG LYS A 113 -109.737-117.165 12.685 1.00 0.00 C ATOM 1282 CD LYS A 113 -108.201-117.274 12.713 1.00 0.00 C ATOM 1283 CE LYS A 113 -107.521-117.333 11.336 1.00 0.00 C ATOM 1284 NZ LYS A 113 -108.023-118.464 10.519 1.00 0.00 N ATOM 0 H LYS A 113 -112.360-117.185 10.942 1.00 0.00 H new ATOM 0 HA LYS A 113 -111.909-115.477 13.308 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -110.132-116.040 10.881 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -109.698-115.045 12.257 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -110.107-117.158 13.710 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -110.143-118.056 12.206 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -107.803-116.420 13.260 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -107.927-118.168 13.274 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -107.694-116.397 10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -106.443-117.430 11.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -107.527-118.479 9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -107.850-119.358 11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -109.044-118.349 10.357 1.00 0.00 H new ATOM 1298 N ILE A 114 -112.623-113.317 12.262 1.00 0.00 N ATOM 1299 CA ILE A 114 -113.138-112.051 11.720 1.00 0.00 C ATOM 1300 C ILE A 114 -111.997-111.052 11.603 1.00 0.00 C ATOM 1301 O ILE A 114 -111.397-110.667 12.602 1.00 0.00 O ATOM 1302 CB ILE A 114 -114.281-111.401 12.534 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -115.416-112.391 12.885 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -114.904-110.235 11.718 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -115.187-113.229 14.146 1.00 0.00 C ATOM 0 H ILE A 114 -112.545-113.309 13.279 1.00 0.00 H new ATOM 0 HA ILE A 114 -113.566-112.307 10.751 1.00 0.00 H new ATOM 0 HB ILE A 114 -113.834-111.051 13.465 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -116.342-111.829 13.006 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -115.561-113.066 12.041 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -115.709-109.778 12.293 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -114.139-109.488 11.509 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -115.302-110.620 10.779 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -116.039-113.890 14.303 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -114.283-113.826 14.027 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -115.076-112.569 15.006 1.00 0.00 H new ATOM 1317 N VAL A 115 -111.658-110.592 10.376 1.00 0.00 N ATOM 1318 CA VAL A 115 -110.568-109.630 10.164 1.00 0.00 C ATOM 1319 C VAL A 115 -111.014-108.474 9.275 1.00 0.00 C ATOM 1320 O VAL A 115 -111.929-108.633 8.470 1.00 0.00 O ATOM 1321 CB VAL A 115 -109.300-110.344 9.690 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -109.354-110.748 8.200 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -108.050-109.515 10.038 1.00 0.00 C ATOM 0 H VAL A 115 -112.131-110.878 9.518 1.00 0.00 H new ATOM 0 HA VAL A 115 -110.306-109.168 11.116 1.00 0.00 H new ATOM 0 HB VAL A 115 -109.235-111.286 10.234 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -108.426-111.250 7.925 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -110.194-111.423 8.036 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -109.480-109.857 7.586 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -107.158-110.039 9.693 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -108.111-108.542 9.550 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -107.994-109.376 11.118 1.00 0.00 H new ATOM 1333 N THR A 116 -110.372-107.276 9.414 1.00 0.00 N ATOM 1334 CA THR A 116 -110.626-106.024 8.695 1.00 0.00 C ATOM 1335 C THR A 116 -109.370-105.681 7.893 1.00 0.00 C ATOM 1336 O THR A 116 -108.246-105.821 8.377 1.00 0.00 O ATOM 1337 CB THR A 116 -111.102-104.902 9.643 1.00 0.00 C ATOM 1338 OG1 THR A 116 -111.330-103.642 9.011 1.00 0.00 O ATOM 1339 CG2 THR A 116 -110.147-104.686 10.833 1.00 0.00 C ATOM 0 H THR A 116 -109.611-107.170 10.085 1.00 0.00 H new ATOM 0 HA THR A 116 -111.454-106.141 7.996 1.00 0.00 H new ATOM 0 HB THR A 116 -112.063-105.272 9.999 1.00 0.00 H new ATOM 0 HG1 THR A 116 -111.629-102.990 9.679 1.00 0.00 H new ATOM 0 HG21 THR A 116 -110.530-103.886 11.467 1.00 0.00 H new ATOM 0 HG22 THR A 116 -110.075-105.606 11.413 1.00 0.00 H new ATOM 0 HG23 THR A 116 -109.159-104.413 10.462 1.00 0.00 H new ATOM 1347 N PHE A 117 -109.576-105.260 6.615 1.00 0.00 N ATOM 1348 CA PHE A 117 -108.504-104.997 5.653 1.00 0.00 C ATOM 1349 C PHE A 117 -108.940-104.279 4.361 1.00 0.00 C ATOM 1350 O PHE A 117 -110.079-104.411 3.903 1.00 0.00 O ATOM 1351 CB PHE A 117 -107.700-106.303 5.306 1.00 0.00 C ATOM 1352 CG PHE A 117 -108.484-107.581 5.014 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -109.832-107.686 4.662 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -107.763-108.756 5.131 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -110.401-108.923 4.420 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -108.340-109.987 4.912 1.00 0.00 C ATOM 1357 CZ PHE A 117 -109.651-110.074 4.535 1.00 0.00 C ATOM 0 H PHE A 117 -110.508-105.096 6.233 1.00 0.00 H new ATOM 0 HA PHE A 117 -107.853-104.294 6.172 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -107.078-106.089 4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -107.026-106.509 6.138 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -110.435-106.794 4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -106.719-108.706 5.402 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -111.442-108.988 4.139 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -107.755-110.886 5.038 1.00 0.00 H new ATOM 0 HZ PHE A 117 -110.096-111.036 4.329 1.00 0.00 H new ATOM 1367 N ILE A 118 -107.994-103.526 3.724 1.00 0.00 N ATOM 1368 CA ILE A 118 -108.178-102.823 2.450 1.00 0.00 C ATOM 1369 C ILE A 118 -107.115-103.356 1.484 1.00 0.00 C ATOM 1370 O ILE A 118 -106.010-103.683 1.917 1.00 0.00 O ATOM 1371 CB ILE A 118 -108.188-101.301 2.673 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -108.916-100.493 1.558 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -106.799-100.750 3.065 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -108.085-100.084 0.334 1.00 0.00 C ATOM 0 H ILE A 118 -107.058-103.398 4.109 1.00 0.00 H new ATOM 0 HA ILE A 118 -109.148-103.017 1.993 1.00 0.00 H new ATOM 0 HB ILE A 118 -108.819-101.137 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -109.762-101.085 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -109.324 -99.588 2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -106.863 -99.672 3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -106.468-101.222 3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -106.084-100.967 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -108.713 -99.528 -0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -107.253 -99.456 0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -107.699-100.977 -0.158 1.00 0.00 H new ATOM 1386 N GLY A 119 -107.403-103.525 0.160 1.00 0.00 N ATOM 1387 CA GLY A 119 -106.443-104.155 -0.758 1.00 0.00 C ATOM 1388 C GLY A 119 -106.716-103.882 -2.212 1.00 0.00 C ATOM 1389 O GLY A 119 -107.449-102.951 -2.541 1.00 0.00 O ATOM 0 H GLY A 119 -108.278-103.235 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -105.440-103.804 -0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -106.452-105.232 -0.593 1.00 0.00 H new ATOM 1393 N ASP A 120 -106.108-104.702 -3.125 1.00 0.00 N ATOM 1394 CA ASP A 120 -106.230-104.597 -4.585 1.00 0.00 C ATOM 1395 C ASP A 120 -106.182-105.996 -5.238 1.00 0.00 C ATOM 1396 O ASP A 120 -105.241-106.745 -4.951 1.00 0.00 O ATOM 1397 CB ASP A 120 -105.079-103.756 -5.228 1.00 0.00 C ATOM 1398 CG ASP A 120 -105.170-102.285 -4.810 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -106.185-101.631 -5.170 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -104.227-101.799 -4.130 1.00 0.00 O ATOM 0 H ASP A 120 -105.504-105.473 -2.838 1.00 0.00 H new ATOM 0 HA ASP A 120 -107.185-104.103 -4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -104.114-104.164 -4.926 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -105.132-103.832 -6.314 1.00 0.00 H new ATOM 1405 N PRO A 121 -107.149-106.433 -6.094 1.00 0.00 N ATOM 1406 CA PRO A 121 -107.138-107.739 -6.762 1.00 0.00 C ATOM 1407 C PRO A 121 -106.375-107.742 -8.103 1.00 0.00 C ATOM 1408 O PRO A 121 -106.389-106.759 -8.847 1.00 0.00 O ATOM 1409 CB PRO A 121 -108.641-108.004 -6.980 1.00 0.00 C ATOM 1410 CG PRO A 121 -109.254-106.621 -7.228 1.00 0.00 C ATOM 1411 CD PRO A 121 -108.386-105.695 -6.367 1.00 0.00 C ATOM 0 HA PRO A 121 -106.621-108.498 -6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -108.806-108.667 -7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -109.088-108.484 -6.109 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -109.214-106.346 -8.282 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -110.301-106.585 -6.929 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -108.176-104.762 -6.889 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -108.896-105.434 -5.440 1.00 0.00 H new ATOM 1419 N VAL A 122 -105.736-108.893 -8.440 1.00 0.00 N ATOM 1420 CA VAL A 122 -105.014-109.172 -9.682 1.00 0.00 C ATOM 1421 C VAL A 122 -105.535-110.528 -10.175 1.00 0.00 C ATOM 1422 O VAL A 122 -105.767-111.419 -9.362 1.00 0.00 O ATOM 1423 CB VAL A 122 -103.489-109.257 -9.453 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -102.730-109.346 -10.798 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -102.984-108.023 -8.671 1.00 0.00 C ATOM 0 H VAL A 122 -105.718-109.691 -7.805 1.00 0.00 H new ATOM 0 HA VAL A 122 -105.179-108.372 -10.404 1.00 0.00 H new ATOM 0 HB VAL A 122 -103.296-110.159 -8.873 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -101.658-109.405 -10.608 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -103.052-110.236 -11.339 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -102.944-108.460 -11.396 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -101.907-108.103 -8.521 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -103.205-107.118 -9.237 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -103.483-107.976 -7.703 1.00 0.00 H new ATOM 1435 N ASP A 123 -105.734-110.788 -11.499 1.00 0.00 N ATOM 1436 CA ASP A 123 -106.146-112.123 -11.970 1.00 0.00 C ATOM 1437 C ASP A 123 -104.901-112.911 -12.361 1.00 0.00 C ATOM 1438 O ASP A 123 -103.881-112.330 -12.723 1.00 0.00 O ATOM 1439 CB ASP A 123 -107.194-112.134 -13.124 1.00 0.00 C ATOM 1440 CG ASP A 123 -108.371-111.214 -12.785 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -109.032-111.455 -11.741 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -108.626-110.263 -13.570 1.00 0.00 O ATOM 0 H ASP A 123 -105.616-110.097 -12.240 1.00 0.00 H new ATOM 0 HA ASP A 123 -106.668-112.593 -11.136 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -106.725-111.808 -14.053 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -107.554-113.150 -13.288 1.00 0.00 H new ATOM 1520 N GLU A 129 -109.299-118.108 -14.626 1.00 0.00 N ATOM 1521 CA GLU A 129 -109.889-118.998 -13.636 1.00 0.00 C ATOM 1522 C GLU A 129 -109.635-118.517 -12.223 1.00 0.00 C ATOM 1523 O GLU A 129 -110.540-118.500 -11.398 1.00 0.00 O ATOM 1524 CB GLU A 129 -109.360-120.445 -13.824 1.00 0.00 C ATOM 1525 CG GLU A 129 -110.011-121.514 -12.922 1.00 0.00 C ATOM 1526 CD GLU A 129 -109.476-122.892 -13.311 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -108.246-123.115 -13.153 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -110.289-123.739 -13.771 1.00 0.00 O ATOM 0 HA GLU A 129 -110.968-118.994 -13.792 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -109.507-120.734 -14.865 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -108.285-120.447 -13.642 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -109.790-121.307 -11.875 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -111.095-121.488 -13.030 1.00 0.00 H new ATOM 1535 N ILE A 130 -108.378-118.131 -11.880 1.00 0.00 N ATOM 1536 CA ILE A 130 -108.015-117.712 -10.522 1.00 0.00 C ATOM 1537 C ILE A 130 -107.729-116.221 -10.447 1.00 0.00 C ATOM 1538 O ILE A 130 -107.059-115.636 -11.298 1.00 0.00 O ATOM 1539 CB ILE A 130 -106.848-118.546 -9.949 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -107.283-120.026 -9.814 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -106.328-118.017 -8.580 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -106.127-120.982 -9.501 1.00 0.00 C ATOM 0 H ILE A 130 -107.601-118.105 -12.540 1.00 0.00 H new ATOM 0 HA ILE A 130 -108.883-117.906 -9.892 1.00 0.00 H new ATOM 0 HB ILE A 130 -106.019-118.456 -10.651 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -108.032-120.105 -9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -107.762-120.341 -10.741 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -105.509-118.647 -8.234 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -105.973-116.993 -8.697 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -107.137-118.040 -7.850 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -106.508-122.000 -9.421 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -105.388-120.933 -10.301 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -105.662-120.694 -8.558 1.00 0.00 H new ATOM 1554 N THR A 131 -108.196-115.612 -9.325 1.00 0.00 N ATOM 1555 CA THR A 131 -107.931-114.259 -8.856 1.00 0.00 C ATOM 1556 C THR A 131 -107.024-114.411 -7.652 1.00 0.00 C ATOM 1557 O THR A 131 -107.255-115.256 -6.782 1.00 0.00 O ATOM 1558 CB THR A 131 -109.182-113.482 -8.455 1.00 0.00 C ATOM 1559 OG1 THR A 131 -109.969-113.267 -9.606 1.00 0.00 O ATOM 1560 CG2 THR A 131 -108.885-112.066 -7.930 1.00 0.00 C ATOM 0 H THR A 131 -108.816-116.110 -8.686 1.00 0.00 H new ATOM 0 HA THR A 131 -107.486-113.684 -9.668 1.00 0.00 H new ATOM 0 HB THR A 131 -109.662-114.076 -7.677 1.00 0.00 H new ATOM 0 HG1 THR A 131 -109.510-112.641 -10.204 1.00 0.00 H new ATOM 0 HG21 THR A 131 -109.820-111.573 -7.664 1.00 0.00 H new ATOM 0 HG22 THR A 131 -108.246-112.131 -7.049 1.00 0.00 H new ATOM 0 HG23 THR A 131 -108.378-111.490 -8.704 1.00 0.00 H new ATOM 1568 N ARG A 132 -105.957-113.565 -7.595 1.00 0.00 N ATOM 1569 CA ARG A 132 -104.999-113.486 -6.509 1.00 0.00 C ATOM 1570 C ARG A 132 -105.105-112.075 -5.966 1.00 0.00 C ATOM 1571 O ARG A 132 -104.984-111.073 -6.677 1.00 0.00 O ATOM 1572 CB ARG A 132 -103.546-113.836 -6.925 1.00 0.00 C ATOM 1573 CG ARG A 132 -102.597-113.971 -5.712 1.00 0.00 C ATOM 1574 CD ARG A 132 -101.207-114.506 -6.080 1.00 0.00 C ATOM 1575 NE ARG A 132 -100.397-114.599 -4.814 1.00 0.00 N ATOM 1576 CZ ARG A 132 -99.090-115.006 -4.784 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -98.436-115.350 -5.931 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -98.434-115.068 -3.587 1.00 0.00 N ATOM 0 H ARG A 132 -105.753-112.904 -8.344 1.00 0.00 H new ATOM 0 HA ARG A 132 -105.236-114.234 -5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -103.548-114.770 -7.486 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -103.167-113.063 -7.594 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -102.488-112.997 -5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -103.051-114.636 -4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -101.288-115.484 -6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -100.721-113.844 -6.796 1.00 0.00 H new ATOM 0 HE ARG A 132 -100.845-114.346 -3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -98.921-115.306 -6.827 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -97.462-115.651 -5.892 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -98.918-114.812 -2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -97.460-115.370 -3.554 1.00 0.00 H new ATOM 1592 N ILE A 133 -105.392-111.975 -4.644 1.00 0.00 N ATOM 1593 CA ILE A 133 -105.647-110.721 -3.963 1.00 0.00 C ATOM 1594 C ILE A 133 -104.701-110.646 -2.784 1.00 0.00 C ATOM 1595 O ILE A 133 -104.397-111.643 -2.123 1.00 0.00 O ATOM 1596 CB ILE A 133 -107.123-110.593 -3.507 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -108.089-111.058 -4.624 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -107.453-109.151 -3.053 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -109.576-110.899 -4.314 1.00 0.00 C ATOM 0 H ILE A 133 -105.449-112.787 -4.029 1.00 0.00 H new ATOM 0 HA ILE A 133 -105.476-109.890 -4.647 1.00 0.00 H new ATOM 0 HB ILE A 133 -107.260-111.247 -2.646 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -107.863-110.499 -5.532 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -107.890-112.108 -4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -108.496-109.098 -2.740 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -106.809-108.876 -2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -107.287-108.462 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -110.164-111.254 -5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -109.827-111.482 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -109.799-109.848 -4.132 1.00 0.00 H new